0 B10R0.1 C#CCC(=O)C=CCCCC 1458a_100016266645_100000184674 [0,0,0,0,0,0|1,0,3]=4 1 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.1 C#CCC(=O)CCCCCF 1458a_100011220946_100000729378 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.1 C#CCC(=O)CCCCOC 1458a_100011220946_100000755781 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.1 C#CCC(=O)CCCOCC 1458a_100011220946_100012232248 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.1 C#CCC(=O)CCOCCC 1458a_100011220946_100011215938 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.1 C#CCC(=O)CSCCCC 1458a_100000191162_100000184674 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,0,0,0,0,0|1,0,2]=3 13 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,0,0,0,0,0|1,0,2]=3 14 B10R0.1 C#CCC(=O)NCCCCO 527a_100000750430_100011220946 [0,0,0,0,0,0|2,0,2]=4 15 B10R0.1 C#CCC(=O)NCCCOC 1626a_100150723488_100011220946 [0,0,0,0,0,0|2,0,2]=4 16 B10R0.1 C#CCC(=O)NCCCOC 527a_100150723488_100011220946 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.1 C#CCC(=O)NCCCSC 1626a_100000749238_100011220946 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.1 C#CCC(=O)NCCCSC 527a_100000749238_100011220946 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.1 C#CCC(=O)NCCOCC 1626a_102516460346_100011220946 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.1 C#CCC(=O)NCCOCC 527a_100011200944_100011220946 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.1 C#CCC(=O)NCCSCC 1626a_100000106463_100011220946 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.1 C#CCC(=O)NCCSCC 527a_100000106463_100011220946 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.1 C#CCC(C)OCCCCC 34a_100000685586_100000718602 [0,0,0,0,0,0|1,0,3]=4 24 B10R0.1 C#CCC(C)OCCCCC 7a_100000685586_100000210326 [0,0,0,0,0,0|1,0,3]=4 25 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,0,0,0,0,0|1,0,2]=3 26 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,0,0,0,0,0|1,0,2]=3 27 B10R0.1 C#CCCCCC(=O)CCF 1458a_100000696528_100011217306 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [0,0,0,0,0,0|2,0,2]=4 29 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.1 C#CCCCCC(=O)COC 1458a_100000210968_100010269958 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.1 C#CCCCCC(=O)CSC 1458a_100000184570_100010269958 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.1 C#CCCCNC(=O)CCC 11a_100000718082_100000211992 [0,0,0,0,0,0|1,0,2]=3 36 B10R0.1 C#CCCCNC(=O)CCC 1626a_100000718082_100000211992 [0,0,0,0,0,0|1,0,2]=3 37 B10R0.1 C#CCCCNC(=O)CCC 240690a_100000718082_100000211992 [0,0,0,0,0,0|1,0,2]=3 38 B10R0.1 C#CCCCNC(=O)CCC 527a_100000718082_100000211992 [0,0,0,0,0,0|1,0,2]=3 39 B10R0.1 C#CCCCNC(=O)CCO 240690a_100000718082_100011216618 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.1 C#CCCCNC(=O)COC 11a_100000718082_100000210968 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.1 C#CCCCNC(=O)COC 1626a_100000718082_100000210968 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.1 C#CCCCNC(=O)COC 240690a_100000718082_100000210968 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.1 C#CCCCNC(=O)COC 527a_100000718082_100000210968 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.1 C#CCCCNC(=O)CSC 11a_100000718082_100000184570 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.1 C#CCCCNC(=O)CSC 1626a_100000718082_100000184570 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.1 C#CCCCNC(=O)CSC 240690a_100000718082_100000184570 [0,0,0,0,0,0|2,0,2]=4 47 B10R0.1 C#CCCCNC(=O)CSC 527a_100000718082_100000184570 [0,0,0,0,0,0|2,0,2]=4 48 B10R0.1 C#CCCCNC(=O)NCC 2708a_100000718082_100015525214 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.1 C#CCCCNC(=O)NCC 2708a_100015525214_100000718082 [0,0,0,0,0,0|2,0,2]=4 50 B10R0.1 C#CCCCNC(=O)NCC 273464a_100000718082_100015525214 [0,0,0,0,0,0|2,0,2]=4 51 B10R0.1 C#CCCCNC(=O)NCC 273464a_100015525214_100000718082 [0,0,0,0,0,0|2,0,2]=4 52 B10R0.1 C#CCCCNC(=O)NCC 512a_100000718082_100015525214 [0,0,0,0,0,0|2,0,2]=4 53 B10R0.1 C#CCCCNC(=O)NCC 512a_100015525214_100000718082 [0,0,0,0,0,0|2,0,2]=4 54 B10R0.1 C#CCCCOC(C)CCC 34a_100000215630_100000766640 [0,0,0,0,0,0|1,0,3]=4 55 B10R0.1 C#CCCCOC(C)CCC 34a_100000764384_100000695029 [0,0,0,0,0,0|1,0,3]=4 56 B10R0.1 C#CCCCOC(C)CCC 7a_100000215630_100000766640 [0,0,0,0,0,0|1,0,3]=4 57 B10R0.1 C#CCCCOC(C)CCC 7a_100000764384_100011215417 [0,0,0,0,0,0|1,0,3]=4 58 B10R0.1 C#CCCSCC(=O)CCC 62a_100000688953_100000747444 [0,0,0,0,0,0|2,0,2]=4 59 B10R0.1 C#CCCSCC(=O)CCC 62a_100000747444_100000688953 [0,0,0,0,0,0|2,0,2]=4 60 B10R0.1 C#CCNCOC(=O)CCC 34a_100000212058_100000034017 [0,0,0,0,0,0|1,0,2]=3 61 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000211992_100010402529 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000693358_100000210303 [0,0,0,0,0,0|2,0,2]=4 63 B10R0.1 C#CCOCOC(=O)CCC 34a_100000210247_100000034017 [0,0,0,0,0,0|1,0,2]=3 64 B10R0.1 C#CCSCOC(=O)CCC 62a_100000038162_100000034017 [0,0,0,0,0,0|1,0,2]=3 65 B10R0.1 C#CCSCOC(=O)OCC 62a_100000038162_100000075025 [0,0,0,0,0,0|2,0,2]=4 66 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [0,0,0,0,0,0|1,0,3]=4 67 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [0,0,0,0,0,0|1,0,3]=4 68 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [0,0,0,0,0,0|2,0,2]=4 69 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [0,0,0,0,0,0|2,0,2]=4 70 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [0,0,0,0,0,0|1,0,3]=4 71 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,0,0,0,0,0|1,0,2]=3 72 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,0,0,0,0,0|1,0,2]=3 73 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,0,0,0,0,0|2,0,2]=4 74 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,0,0,0,0,0|2,0,2]=4 75 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,0,0,0,0,0|2,0,2]=4 76 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,0,0,0,0,0|2,0,2]=4 77 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [0,0,0,0,0,0|2,0,2]=4 78 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,0,0,0,0,0|2,0,2]=4 79 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,0,0,0,0,0|2,0,2]=4 80 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,0,0,0,0,0|2,0,2]=4 81 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,0,0,0,0,0|2,0,2]=4 82 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,0,0,0,0,0|1,0,2]=3 83 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,0,0,0,0,0|1,0,2]=3 84 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,0,0,0,0,0|1,0,2]=3 85 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,0,0,0,0,0|1,0,2]=3 86 B10R0.1 C=CCC(=O)NCCCCO 240690a_100000750430_100000210193 [0,0,0,0,0,0|2,0,2]=4 87 B10R0.1 C=CCC(=O)NCCCCO 527a_100000750430_100000210193 [0,0,0,0,0,0|2,0,2]=4 88 B10R0.1 C=CCC(=O)NCCCOC 1626a_100150723488_100000210193 [0,0,0,0,0,0|2,0,2]=4 89 B10R0.1 C=CCC(=O)NCCCOC 240690a_100150723488_100000210193 [0,0,0,0,0,0|2,0,2]=4 90 B10R0.1 C=CCC(=O)NCCCOC 527a_100150723488_100000210193 [0,0,0,0,0,0|2,0,2]=4 91 B10R0.1 C=CCC(=O)NCCCSC 11a_100000749238_100000210193 [0,0,0,0,0,0|2,0,2]=4 92 B10R0.1 C=CCC(=O)NCCCSC 1626a_100000749238_100000210193 [0,0,0,0,0,0|2,0,2]=4 93 B10R0.1 C=CCC(=O)NCCCSC 240690a_100000749238_100000210193 [0,0,0,0,0,0|2,0,2]=4 94 B10R0.1 C=CCC(=O)NCCCSC 527a_100000749238_100000210193 [0,0,0,0,0,0|2,0,2]=4 95 B10R0.1 C=CCC(=O)NCCOCC 11a_100011200944_100000210193 [0,0,0,0,0,0|2,0,2]=4 96 B10R0.1 C=CCC(=O)NCCOCC 1626a_102516460346_100000210193 [0,0,0,0,0,0|2,0,2]=4 97 B10R0.1 C=CCC(=O)NCCOCC 240690a_100011200944_100000210193 [0,0,0,0,0,0|2,0,2]=4 98 B10R0.1 C=CCC(=O)NCCOCC 527a_100011200944_100000210193 [0,0,0,0,0,0|2,0,2]=4 99 B10R0.1 C=CCC(=O)NCCSCC 11a_100000106463_100000210193 [0,0,0,0,0,0|2,0,2]=4 100 B10R0.1 C=CCC(=O)NCCSCC 1626a_100000106463_100000210193 [0,0,0,0,0,0|2,0,2]=4 101 B10R0.1 C=CCC(=O)NCCSCC 240690a_100000106463_100000210193 [0,0,0,0,0,0|2,0,2]=4 102 B10R0.1 C=CCC(=O)NCCSCC 527a_100000106463_100000210193 [0,0,0,0,0,0|2,0,2]=4 103 B10R0.1 C=CCC(=O)NNCCCC 22a_100025702795_100000210193 [0,0,0,0,0,0|2,0,2]=4 104 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,0,0,0,0,0|1,0,2]=3 105 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,0,0,0,0,0|1,0,2]=3 106 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [0,0,0,0,0,0|2,0,2]=4 107 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,0,0,0,0,0|2,0,2]=4 108 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,0,0,0,0,0|2,0,2]=4 109 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,0,0,0,0,0|2,0,2]=4 110 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,0,0,0,0,0|2,0,2]=4 111 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,0,0,0,0,0|2,0,2]=4 112 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,0,0,0,0,0|2,0,2]=4 113 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,0,0,0,0,0|2,0,2]=4 114 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [0,0,0,0,0,0|1,0,2]=3 115 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [0,0,0,0,0,0|1,0,2]=3 116 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [0,0,0,0,0,0|1,0,2]=3 117 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [0,0,0,0,0,0|1,0,2]=3 118 B10R0.1 C=CCCCNC(=O)CCO 240690a_100000700776_100011216618 [0,0,0,0,0,0|2,0,2]=4 119 B10R0.1 C=CCCCNC(=O)COC 11a_100000700776_100000210968 [0,0,0,0,0,0|2,0,2]=4 120 B10R0.1 C=CCCCNC(=O)COC 1626a_100000700776_100000210968 [0,0,0,0,0,0|2,0,2]=4 121 B10R0.1 C=CCCCNC(=O)COC 240690a_100000700776_100000210968 [0,0,0,0,0,0|2,0,2]=4 122 B10R0.1 C=CCCCNC(=O)COC 527a_100000700776_100000210968 [0,0,0,0,0,0|2,0,2]=4 123 B10R0.1 C=CCCCNC(=O)CSC 11a_100000700776_100000184570 [0,0,0,0,0,0|2,0,2]=4 124 B10R0.1 C=CCCCNC(=O)CSC 1626a_100000700776_100000184570 [0,0,0,0,0,0|2,0,2]=4 125 B10R0.1 C=CCCCNC(=O)CSC 240690a_100000700776_100000184570 [0,0,0,0,0,0|2,0,2]=4 126 B10R0.1 C=CCCCNC(=O)CSC 527a_100000700776_100000184570 [0,0,0,0,0,0|2,0,2]=4 127 B10R0.1 C=CCCCNC(=O)NCC 2708a_100000700776_100015525214 [0,0,0,0,0,0|2,0,2]=4 128 B10R0.1 C=CCCCNC(=O)NCC 2708a_100015525214_100000700776 [0,0,0,0,0,0|2,0,2]=4 129 B10R0.1 C=CCCCNC(=O)NCC 273464a_100000700776_100015525214 [0,0,0,0,0,0|2,0,2]=4 130 B10R0.1 C=CCCCNC(=O)NCC 273464a_100015525214_100000700776 [0,0,0,0,0,0|2,0,2]=4 131 B10R0.1 C=CCCCNC(=O)NCC 512a_100000700776_100015525214 [0,0,0,0,0,0|2,0,2]=4 132 B10R0.1 C=CCCCNC(=O)NCC 512a_100015525214_100000700776 [0,0,0,0,0,0|2,0,2]=4 133 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [0,0,0,0,0,0|1,0,3]=4 134 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [0,0,0,0,0,0|1,0,3]=4 135 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [0,0,0,0,0,0|1,0,3]=4 136 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [0,0,0,0,0,0|1,0,3]=4 137 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [0,0,0,0,0,0|2,0,2]=4 138 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [0,0,0,0,0,0|2,0,2]=4 139 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [0,0,0,0,0,0|2,0,2]=4 140 B10R0.1 C=CCNCOC(=O)CCC 2230a_100020586998_100000034017 [0,0,0,0,0,0|1,0,2]=3 141 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,0,0,0,0,0|2,0,2]=4 142 B10R0.1 C=CCOCOC(=O)CCC 34a_200000210373_100000034017 [0,0,0,0,0,0|1,0,2]=3 143 B10R0.1 C=CCSCOC(=O)CCC 62a_100000210623_100000034017 [0,0,0,0,0,0|1,0,2]=3 144 B10R0.1 C=CCSCOC(=O)OCC 62a_100000210623_100000075025 [0,0,0,0,0,0|2,0,2]=4 145 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [0,0,0,0,0,0|1,0,3]=4 146 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [0,0,0,0,0,0|1,0,3]=4 147 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,0,0,0,0,0|1,0,2]=3 148 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [0,0,0,0,0,0|2,0,2]=4 149 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,0,0,0,0,0|2,0,2]=4 150 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [0,0,0,0,0,0|2,0,2]=4 151 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [0,0,0,0,0,0|2,0,2]=4 152 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [0,0,0,0,0,0|2,0,2]=4 153 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,0,0,0,0,0|2,0,2]=4 154 B10R0.1 CC#CC(=O)NNCCCC 22a_100025702795_100000763181 [0,0,0,0,0,0|2,0,2]=4 155 B10R0.1 CC#CC(C)OCCCCC 34a_100011216543_100000718602 [0,0,0,0,0,0|1,0,3]=4 156 B10R0.1 CC#CCCOC(C)CCC 34a_100000750427_100000766640 [0,0,0,0,0,0|1,0,3]=4 157 B10R0.1 CC#CCNCC(=O)CCC 2230a_100000685387_100000747444 [0,0,0,0,0,0|2,0,2]=4 158 B10R0.1 CC#CCSCC(=O)CCC 62a_100000747444_100000748600 [0,0,0,0,0,0|2,0,2]=4 159 B10R0.1 CC#CCSCC(=O)CCC 62a_100000748600_100000747444 [0,0,0,0,0,0|2,0,2]=4 160 B10R0.1 CC(CCBr)OCCCCF 34a_100012276601_100000729493 [0,0,0,0,0,0|3,0,1]=4 161 B10R0.1 CC(CCBr)OCCCCO 34a_100012276601_100011216708 [0,0,0,0,0,0|3,0,1]=4 162 B10R0.1 CC(CCO)OCCCCBr 34a_100011216708_100009893172 [0,0,0,0,0,0|3,0,1]=4 163 B10R0.1 CC(CCO)OCCCCCl 34a_100000210776_100009893172 [0,0,0,0,0,0|3,0,1]=4 164 B10R0.1 CC(CCO)OCCCCCl 7a_100000210776_100009893172 [0,0,0,0,0,0|3,0,1]=4 165 B10R0.1 CC(CCO)OCCCCF 34a_100011995726_100009893172 [0,0,0,0,0,0|3,0,1]=4 166 B10R0.1 CC(CCO)OCCCCF 7a_100011995726_100009893172 [0,0,0,0,0,0|3,0,1]=4 167 B10R0.1 CC(CCO)OCCCCI 34a_200012148704_100009893172 [0,0,0,0,0,0|3,0,1]=4 168 B10R0.1 CC(CCO)OCCCCN 34a_100000750430_100009893172 [0,0,0,0,0,0|3,0,1]=4 169 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,0,0,0,0,0|1,0,2]=3 170 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,0,0,0,0,0|2,0,2]=4 171 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,0,0,0,0,0|2,0,2]=4 172 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [0,0,0,0,0,0|2,0,2]=4 173 B10R0.1 CC/C=C\COC(C)CCC 34a_100000764384_100103147603 [0,0,0,0,0,0|1,0,3]=4 174 B10R0.1 CC/C=C\COC(C)CCC 34a_100016268518_100000766640 [0,0,0,0,0,0|1,0,3]=4 175 B10R0.1 CC/C=C\COC(C)CCC 7a_100000764384_100103147603 [0,0,0,0,0,0|1,0,3]=4 176 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,0,0,0,0,0|1,0,2]=3 177 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,0,0,0,0,0|2,0,2]=4 178 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,0,0,0,0,0|2,0,2]=4 179 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,0,0,0,0,0|2,0,2]=4 180 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,0,0,0,0,0|2,0,2]=4 181 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,0,0,0,0,0|2,0,2]=4 182 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,0,0,0,0,0|2,0,2]=4 183 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,0,0,0,0,0|1,0,2]=3 184 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,0,0,0,0,0|1,0,2]=3 185 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,0,0,0,0,0|1,0,2]=3 186 B10R0.1 CC=CC(=O)NCCCCO 240690a_100000750430_100000210699 [0,0,0,0,0,0|2,0,2]=4 187 B10R0.1 CC=CC(=O)NCCCOC 1626a_100150723488_100000210699 [0,0,0,0,0,0|2,0,2]=4 188 B10R0.1 CC=CC(=O)NCCCOC 240690a_100150723488_100000210699 [0,0,0,0,0,0|2,0,2]=4 189 B10R0.1 CC=CC(=O)NCCCSC 11a_100000749238_100000210699 [0,0,0,0,0,0|2,0,2]=4 190 B10R0.1 CC=CC(=O)NCCCSC 1626a_100000749238_100000210699 [0,0,0,0,0,0|2,0,2]=4 191 B10R0.1 CC=CC(=O)NCCCSC 240690a_100000749238_100000210699 [0,0,0,0,0,0|2,0,2]=4 192 B10R0.1 CC=CC(=O)NCCOCC 11a_100011200944_100000210699 [0,0,0,0,0,0|2,0,2]=4 193 B10R0.1 CC=CC(=O)NCCOCC 1626a_102516460346_100000210699 [0,0,0,0,0,0|2,0,2]=4 194 B10R0.1 CC=CC(=O)NCCOCC 240690a_100011200944_100000210699 [0,0,0,0,0,0|2,0,2]=4 195 B10R0.1 CC=CC(=O)NCCSCC 11a_100000106463_100000210699 [0,0,0,0,0,0|2,0,2]=4 196 B10R0.1 CC=CC(=O)NCCSCC 1626a_100000106463_100000210699 [0,0,0,0,0,0|2,0,2]=4 197 B10R0.1 CC=CC(=O)NCCSCC 240690a_100000106463_100000210699 [0,0,0,0,0,0|2,0,2]=4 198 B10R0.1 CC=CC(=O)NNCCCC 22a_100025702795_100000210699 [0,0,0,0,0,0|2,0,2]=4 199 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [0,0,0,0,0,0|2,0,2]=4 200 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [0,0,0,0,0,0|2,0,2]=4 201 B10R0.1 CCC#CCOC(C)CCC 34a_100000032950_100000766640 [0,0,0,0,0,0|1,0,3]=4 202 B10R0.1 CCC#CCOC(C)CCC 34a_100000764384_100009813939 [0,0,0,0,0,0|1,0,3]=4 203 B10R0.1 CCC#CCOC(C)CCC 7a_100000764384_100009813939 [0,0,0,0,0,0|1,0,3]=4 204 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,0,0,0,0,0|1,0,2]=3 205 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [0,0,0,0,0,0|2,0,2]=4 206 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,0,0,0,0,0|2,0,2]=4 207 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,0,0,0,0,0|2,0,2]=4 208 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,0,0,0,0,0|2,0,2]=4 209 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,0,0,0,0,0|2,0,2]=4 210 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,0,0,0,0,0|2,0,1]=3 211 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,0,0,0,0,0|2,0,0]=2 212 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,0,0,0,0,0|2,0,0]=2 213 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,0,0,0,0,0|2,0,0]=2 214 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,0,0,0,0,0|2,0,0]=2 215 B10R0.1 CCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210303 [0,0,0,0,0,0|4,0,0]=4 216 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,0,0,0,0,0|2,0,0]=2 217 B10R0.1 CCCC(=O)CCOCC#N 1458a_100000211992_200000047693 [0,0,0,0,0,0|3,0,1]=4 218 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,0,0,0,0,0|3,0,0]=3 219 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,0,0,0,0,0|3,0,0]=3 220 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,0,0,0,0,0|3,0,0]=3 221 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,0,0,0,0,0|3,0,0]=3 222 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,0,0,0,0,0|3,0,0]=3 223 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,0,0,0,0,0|3,0,0]=3 224 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,0,0,0,0,0|3,0,0]=3 225 B10R0.1 CCCC(=O)CSCCC#N 62a_100000747444_100011215226 [0,0,0,0,0,0|3,0,1]=4 226 B10R0.1 CCCC(=O)CSCCC#N 62a_100011215226_100000747444 [0,0,0,0,0,0|3,0,1]=4 227 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,0,0,0,0,0|3,0,0]=3 228 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,0,0,0,0,0|3,0,0]=3 229 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,0,0,0,0,0|3,0,0]=3 230 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,0,0,0,0,0|3,0,0]=3 231 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,0,0,0,0,0|3,0,0]=3 232 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,0,0,0,0,0|3,0,0]=3 233 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,0,0,0,0,0|3,0,0]=3 234 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,0,0,0,0,0|3,0,0]=3 235 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [0,0,0,0,0,0|3,0,0]=3 236 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [0,0,0,0,0,0|3,0,0]=3 237 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,0,0,0,0,0|2,0,0]=2 238 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,0,0,0,0,0|2,0,0]=2 239 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,0,0,0,0,0|2,0,0]=2 240 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,0,0,0,0,0|2,0,0]=2 241 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,0,0,0,0,0|2,0,0]=2 242 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,0,0,0,0,0|2,0,0]=2 243 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,0,0,0,0,0|2,0,0]=2 244 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,0,0,0,0,0|2,0,0]=2 245 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,0,0,0,0,0|2,0,0]=2 246 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,0,0,0,0,0|2,0,0]=2 247 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,0,0,0,0,0|2,0,0]=2 248 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,0,0,0,0,0|2,0,0]=2 249 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,0,0,0,0,0|2,0,0]=2 250 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,0,0,0,0,0|2,0,0]=2 251 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,0,0,0,0,0|2,0,0]=2 252 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,0,0,0,0,0|2,0,0]=2 253 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,0,0,0,0,0|2,0,0]=2 254 B10R0.1 CCCC(=O)NNCCC#N 22a_100000229987_100000211992 [0,0,0,0,0,0|3,0,1]=4 255 B10R0.1 CCCC(=O)NNCCOC 22a_100000741390_100000211992 [0,0,0,0,0,0|3,0,0]=3 256 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [0,0,0,0,0,0|2,0,0]=2 257 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [0,0,0,0,0,0|2,0,0]=2 258 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [0,0,0,0,0,0|2,0,0]=2 259 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [0,0,0,0,0,0|2,0,0]=2 260 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [0,0,0,0,0,0|2,0,0]=2 261 B10R0.1 CCCC(=O)OCSCC#N 62a_100011215382_100000034017 [0,0,0,0,0,0|2,0,1]=3 262 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [0,0,0,0,0,0|2,0,1]=3 263 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [0,0,0,0,0,0|2,0,0]=2 264 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [0,0,0,0,0,0|2,0,0]=2 265 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [0,0,0,0,0,0|2,0,0]=2 266 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [0,0,0,0,0,0|2,0,0]=2 267 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,0,0,0,0,0|3,0,1]=4 268 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,0,0,0,0,0|3,0,1]=4 269 B10R0.1 CCCC(C)NCCCCF 2230a_100000741246_100000729493 [0,0,0,0,0,0|3,0,1]=4 270 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [0,0,0,0,0,0|3,0,1]=4 271 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [0,0,0,0,0,0|3,0,1]=4 272 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [0,0,0,0,0,0|3,0,1]=4 273 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [0,0,0,0,0,0|3,0,1]=4 274 B10R0.1 CCCC(C)NCCCOC 2230a_100000741246_100000740836 [0,0,0,0,0,0|3,0,1]=4 275 B10R0.1 CCCC(C)NCCCOC 270004a_100150723488_100000211909 [0,0,0,0,0,0|3,0,1]=4 276 B10R0.1 CCCC(C)NCCCOC 34a_100150723488_100000766640 [0,0,0,0,0,0|3,0,1]=4 277 B10R0.1 CCCC(C)NCCCSC 2230a_100000749238_100000766640 [0,0,0,0,0,0|3,0,1]=4 278 B10R0.1 CCCC(C)NCCCSC 270004a_100000749238_100000211909 [0,0,0,0,0,0|3,0,1]=4 279 B10R0.1 CCCC(C)NCCOCC 2230a_100000741246_100011215890 [0,0,0,0,0,0|3,0,1]=4 280 B10R0.1 CCCC(C)NCCOCC 2230a_102516460346_100000766640 [0,0,0,0,0,0|3,0,1]=4 281 B10R0.1 CCCC(C)NCCOCC 270004a_102516460346_100000211909 [0,0,0,0,0,0|3,0,1]=4 282 B10R0.1 CCCC(C)NCCOCC 34a_102516460346_100000766640 [0,0,0,0,0,0|3,0,1]=4 283 B10R0.1 CCCC(C)NCCSCC 2230a_100000106463_100000766640 [0,0,0,0,0,0|3,0,1]=4 284 B10R0.1 CCCC(C)NCCSCC 2230a_100000741246_100000757381 [0,0,0,0,0,0|3,0,1]=4 285 B10R0.1 CCCC(C)NCCSCC 270004a_100000106463_100000211909 [0,0,0,0,0,0|3,0,1]=4 286 B10R0.1 CCCC(C)OCCCC#N 7a_100000764384_100000687738 [0,0,0,0,0,0|2,0,2]=4 287 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [0,0,0,0,0,0|2,0,2]=4 288 B10R0.1 CCCC(C)OCCCCBr 34a_100011216708_100000766640 [0,0,0,0,0,0|2,0,1]=3 289 B10R0.1 CCCC(C)OCCCCCl 34a_100000210776_100000766640 [0,0,0,0,0,0|2,0,1]=3 290 B10R0.1 CCCC(C)OCCCCCl 7a_100000210776_100000766640 [0,0,0,0,0,0|2,0,1]=3 291 B10R0.1 CCCC(C)OCCCCF 34a_100000764384_100000729493 [0,0,0,0,0,0|2,0,1]=3 292 B10R0.1 CCCC(C)OCCCCF 34a_100011995726_100000766640 [0,0,0,0,0,0|2,0,1]=3 293 B10R0.1 CCCC(C)OCCCCF 7a_100000764384_100000729493 [0,0,0,0,0,0|2,0,1]=3 294 B10R0.1 CCCC(C)OCCCCF 7a_100011995726_100000766640 [0,0,0,0,0,0|2,0,1]=3 295 B10R0.1 CCCC(C)OCCCCI 34a_200012148704_100000766640 [0,0,0,0,0,0|2,0,1]=3 296 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [0,0,0,0,0,0|2,0,1]=3 297 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [0,0,0,0,0,0|2,0,1]=3 298 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [0,0,0,0,0,0|2,0,1]=3 299 B10R0.1 CCCC(C)OCCCNC 34a_100000213112_100000766640 [0,0,0,0,0,0|2,0,1]=3 300 B10R0.1 CCCC(C)OCCCOC 34a_100000740835_100000766640 [0,0,0,0,0,0|2,0,1]=3 301 B10R0.1 CCCC(C)OCCCOC 34a_100000764384_100000740836 [0,0,0,0,0,0|2,0,1]=3 302 B10R0.1 CCCC(C)OCCCOC 7a_100000764384_100000740836 [0,0,0,0,0,0|2,0,1]=3 303 B10R0.1 CCCC(C)OCCCSC 34a_100000690336_100000766640 [0,0,0,0,0,0|2,0,1]=3 304 B10R0.1 CCCC(C)OCCCSC 7a_100000690336_100000766640 [0,0,0,0,0,0|2,0,1]=3 305 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [0,0,0,0,0,0|2,0,1]=3 306 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [0,0,0,0,0,0|2,0,1]=3 307 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [0,0,0,0,0,0|2,0,1]=3 308 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [0,0,0,0,0,0|2,0,1]=3 309 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [0,0,0,0,0,0|2,0,1]=3 310 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [0,0,0,0,0,0|2,0,1]=3 311 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [0,0,0,0,0,0|2,0,1]=3 312 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [0,0,0,0,0,0|2,0,1]=3 313 B10R0.1 CCCC(C)SCCCCF 62a_100000729493_100000766640 [0,0,0,0,0,0|2,1,1]=4 314 B10R0.1 CCCC(C)SCCCCF 62a_100000766640_100000729493 [0,0,0,0,0,0|2,1,1]=4 315 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [0,0,0,0,0,0|2,1,1]=4 316 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [0,0,0,0,0,0|2,1,1]=4 317 B10R0.1 CCCC(C)SCCCOC 62a_100000709357_100000766640 [0,0,0,0,0,0|2,1,1]=4 318 B10R0.1 CCCC(C)SCCCOC 62a_100000766640_100000709357 [0,0,0,0,0,0|2,1,1]=4 319 B10R0.1 CCCC(C)SCCOCC 62a_100000210147_100000766640 [0,0,0,0,0,0|2,1,1]=4 320 B10R0.1 CCCC(C)SCCOCC 62a_100000766640_100011215890 [0,0,0,0,0,0|2,1,1]=4 321 B10R0.1 CCCC(C)SCCSCC 62a_100000757381_100000766640 [0,0,0,0,0,0|2,1,1]=4 322 B10R0.1 CCCC(C)SCCSCC 62a_100000766640_100000757381 [0,0,0,0,0,0|2,1,1]=4 323 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [0,0,0,0,0,0|2,0,1]=3 324 B10R0.1 CCCC=NNC(=O)COC 4a_100000216845_100000185831 [0,0,0,0,0,0|3,0,1]=4 325 B10R0.1 CCCCC=CC(=O)CC#N 1458a_100016266645_100011214920 [0,0,0,0,0,0|2,0,2]=4 326 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,0,0,0,0,0|1,0,1]=2 327 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,0,0,0,0,0|2,0,1]=3 328 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,0,0,0,0,0|2,0,1]=3 329 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,0,0,0,0,0|2,0,1]=3 330 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,0,0,0,0,0|2,0,1]=3 331 B10R0.1 CCCCC=CC(=O)NNC 22a_100016993582_100016266645 [0,0,0,0,0,0|3,0,1]=4 332 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,0,0,0,0,0|2,0,2]=4 333 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,0,0,0,0,0|2,0,2]=4 334 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,0,0,0,0,0|2,0,2]=4 335 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,0,0,0,0,0|2,0,1]=3 336 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,0,0,0,0,0|2,0,1]=3 337 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,0,0,0,0,0|1,0,0]=1 338 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,0,0,0,0,0|1,0,0]=1 339 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,0,0,0,0,0|2,0,0]=2 340 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,0,0,0,0,0|2,0,0]=2 341 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,0,0,0,0,0|2,0,0]=2 342 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,0,0,0,0,0|2,0,0]=2 343 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,0,0,0,0,0|2,0,0]=2 344 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,0,0,0,0,0|2,0,0]=2 345 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,0,0,0,0,0|2,0,0]=2 346 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,0,0,0,0,0|2,0,0]=2 347 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,0,0,0,0,0|3,0,0]=3 348 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,0,0,0,0,0|3,0,1]=4 349 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,0,0,0,0,0|3,0,1]=4 350 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,0,0,0,0,0|3,0,1]=4 351 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,0,0,0,0,0|3,0,1]=4 352 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,0,0,0,0,0|3,0,1]=4 353 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,0,0,0,0,0|3,0,1]=4 354 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,0,0,0,0,0|3,0,1]=4 355 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,0,0,0,0,0|3,0,1]=4 356 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,0,0,0,0,0|3,0,1]=4 357 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,0,0,0,0,0|3,0,0]=3 358 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,0,0,0,0,0|3,0,0]=3 359 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,0,0,0,0,0|3,0,0]=3 360 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,0,0,0,0,0|3,0,0]=3 361 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [0,0,0,0,0,0|4,0,0]=4 362 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [0,0,0,0,0,0|4,0,0]=4 363 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,0,0,0,0,0|4,0,0]=4 364 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,0,0,0,0,0|4,0,0]=4 365 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,0,0,0,0,0|4,0,0]=4 366 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,0,0,0,0,0|4,0,0]=4 367 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,0,0,0,0,0|4,0,0]=4 368 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,0,0,0,0,0|4,0,0]=4 369 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [0,0,0,0,0,0|4,0,0]=4 370 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [0,0,0,0,0,0|4,0,0]=4 371 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [0,0,0,0,0,0|2,0,2]=4 372 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [0,0,0,0,0,0|2,0,2]=4 373 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [0,0,0,0,0,0|2,0,2]=4 374 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [0,0,0,0,0,0|2,0,2]=4 375 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [0,0,0,0,0,0|2,0,2]=4 376 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [0,0,0,0,0,0|2,0,2]=4 377 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,0,0,0,0,0|2,0,1]=3 378 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,0,0,0,0,0|2,0,1]=3 379 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,0,0,0,0,0|1,0,0]=1 380 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,0,0,0,0,0|1,0,0]=1 381 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,0,0,0,0,0|1,0,0]=1 382 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,0,0,0,0,0|1,0,0]=1 383 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,0,0,0,0,0|2,0,0]=2 384 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,0,0,0,0,0|2,0,0]=2 385 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,0,0,0,0,0|2,0,0]=2 386 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,0,0,0,0,0|2,0,0]=2 387 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,0,0,0,0,0|2,0,0]=2 388 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,0,0,0,0,0|2,0,0]=2 389 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,0,0,0,0,0|2,0,0]=2 390 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,0,0,0,0,0|2,0,0]=2 391 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,0,0,0,0,0|2,0,0]=2 392 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,0,0,0,0,0|2,0,0]=2 393 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,0,0,0,0,0|2,0,0]=2 394 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,0,0,0,0,0|2,0,0]=2 395 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,0,0,0,0,0|2,0,0]=2 396 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,0,0,0,0,0|2,0,0]=2 397 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,0,0,0,0,0|2,0,0]=2 398 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,0,0,0,0,0|2,0,0]=2 399 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,0,0,0,0,0|2,0,0]=2 400 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,0,0,0,0,0|2,0,0]=2 401 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,0,0,0,0,0|2,0,0]=2 402 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,0,0,0,0,0|2,0,0]=2 403 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,0,0,0,0,0|2,0,0]=2 404 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,0,0,0,0,0|2,0,0]=2 405 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,0,0,0,0,0|2,0,0]=2 406 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,0,0,0,0,0|3,0,0]=3 407 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,0,0,0,0,0|3,0,0]=3 408 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,0,0,0,0,0|3,0,0]=3 409 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,0,0,0,0,0|2,0,1]=3 410 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,0,0,0,0,0|2,0,1]=3 411 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,0,0,0,0,0|2,0,1]=3 412 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [0,0,0,0,0,0|3,0,1]=4 413 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [0,0,0,0,0,0|3,0,1]=4 414 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [0,0,0,0,0,0|3,0,1]=4 415 B10R0.1 CCCCCNC(C)CSC 270004a_100000209983_100011216314 [0,0,0,0,0,0|3,0,1]=4 416 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [0,0,0,0,0,0|3,0,1]=4 417 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [0,0,0,0,0,0|3,0,1]=4 418 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [0,0,0,0,0,0|3,0,1]=4 419 B10R0.1 CCCCCOC(C)CC#N 7a_100000210253_100009813641 [0,0,0,0,0,0|2,0,2]=4 420 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [0,0,0,0,0,0|2,0,1]=3 421 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,0,0,0,0,0|1,0,1]=2 422 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,0,0,0,0,0|1,0,1]=2 423 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,0,0,0,0,0|1,0,1]=2 424 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,0,0,0,0,0|1,0,1]=2 425 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,0,0,0,0,0|2,0,1]=3 426 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,0,0,0,0,0|2,0,1]=3 427 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,0,0,0,0,0|2,0,1]=3 428 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,0,0,0,0,0|2,0,1]=3 429 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,0,0,0,0,0|2,0,1]=3 430 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,0,0,0,0,0|1,1,1]=3 431 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,0,0,0,0,0|1,1,1]=3 432 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [0,0,0,0,0,0|2,1,1]=4 433 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [0,0,0,0,0,0|2,1,1]=4 434 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [0,0,0,0,0,0|2,1,1]=4 435 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [0,0,0,0,0,0|2,1,1]=4 436 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,0,0,0,0,0|2,0,0]=2 437 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,0,0,0,0,0|2,0,0]=2 438 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,0,0,0,0,0|3,0,0]=3 439 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,0,0,0,0,0|3,0,0]=3 440 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,0,0,0,0,0|3,0,0]=3 441 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,0,0,0,0,0|4,0,0]=4 442 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,0,0,0,0,0|4,0,0]=4 443 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,0,0,0,0,0|3,0,0]=3 444 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,0,0,0,0,0|3,0,0]=3 445 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [0,0,0,0,0,0|3,0,1]=4 446 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [0,0,0,0,0,0|3,0,1]=4 447 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [0,0,0,0,0,0|3,0,1]=4 448 B10R0.1 CCCCNN=C(C)CCC 4a_100025702795_100000211909 [0,0,0,0,0,0|3,0,0]=3 449 B10R0.1 CCCCNN=C(C)COC 4a_100025702795_100000749346 [0,0,0,0,0,0|4,0,0]=4 450 B10R0.1 CCCCNN=C(C)CSC 4a_100025702795_100011216314 [0,0,0,0,0,0|4,0,0]=4 451 B10R0.1 CCCCNNC(=O)CC#N 22a_100025702795_100051588842 [0,0,0,0,0,0|3,0,1]=4 452 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,0,0,0,0,0|2,0,0]=2 453 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,0,0,0,0,0|3,0,0]=3 454 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,0,0,0,0,0|3,0,0]=3 455 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [0,0,0,0,0,0|3,0,0]=3 456 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [0,0,0,0,0,0|3,0,0]=3 457 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [0,0,0,0,0,0|3,0,0]=3 458 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [0,0,0,0,0,0|3,0,0]=3 459 B10R0.1 CCCCNNC(=O)NNC 512a_100016993582_100025702795 [0,0,0,0,0,0|4,0,0]=4 460 B10R0.1 CCCCNNC(=O)NNC 512a_100025702795_100016993582 [0,0,0,0,0,0|4,0,0]=4 461 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [0,0,0,0,0,0|3,0,1]=4 462 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [0,0,0,0,0,0|3,0,1]=4 463 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,0,0,0,0,0|2,0,0]=2 464 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,0,0,0,0,0|2,0,0]=2 465 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,0,0,0,0,0|2,0,0]=2 466 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,0,0,0,0,0|3,0,0]=3 467 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,0,0,0,0,0|3,0,0]=3 468 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,0,0,0,0,0|3,0,0]=3 469 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,0,0,0,0,0|3,0,0]=3 470 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,0,0,0,0,0|3,0,0]=3 471 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,0,0,0,0,0|3,0,0]=3 472 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,0,0,0,0,0|3,0,0]=3 473 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,0,0,0,0,0|3,0,0]=3 474 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,0,0,0,0,0|3,0,0]=3 475 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,0,0,0,0,0|3,0,0]=3 476 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,0,0,0,0,0|4,0,0]=4 477 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,0,0,0,0,0|4,0,0]=4 478 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,0,0,0,0,0|4,0,0]=4 479 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,0,0,0,0,0|3,0,0]=3 480 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,0,0,0,0,0|3,0,0]=3 481 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,0,0,0,0,0|3,0,1]=4 482 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,0,0,0,0,0|3,0,1]=4 483 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,0,0,0,0,0|3,0,1]=4 484 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,0,0,0,0,0|3,0,1]=4 485 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [0,0,0,0,0,0|4,0,0]=4 486 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [0,0,0,0,0,0|4,0,0]=4 487 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,0,0,0,0,0|3,0,1]=4 488 B10R0.1 CCCCSCC(=O)CC#N 1458a_100000191162_100011214920 [0,0,0,0,0,0|3,0,1]=4 489 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,0,0,0,0,0|2,0,0]=2 490 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,0,0,0,0,0|2,0,0]=2 491 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,0,0,0,0,0|2,0,0]=2 492 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,0,0,0,0,0|3,0,0]=3 493 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,0,0,0,0,0|3,0,0]=3 494 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,0,0,0,0,0|3,0,0]=3 495 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,0,0,0,0,0|3,0,0]=3 496 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,0,0,0,0,0|3,0,0]=3 497 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,0,0,0,0,0|3,0,0]=3 498 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,0,0,0,0,0|3,0,0]=3 499 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,0,0,0,0,0|4,0,0]=4 500 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,0,0,0,0,0|4,0,0]=4 501 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [0,0,0,0,0,0|4,0,0]=4 502 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,0,0,0,0,0|3,0,0]=3 503 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,0,0,0,0,0|3,0,0]=3 504 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [0,0,0,0,0,0|3,0,1]=4 505 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [0,0,0,0,0,0|3,0,1]=4 506 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [0,0,0,0,0,0|4,0,0]=4 507 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [0,0,0,0,0,0|4,0,0]=4 508 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,0,0,0,0,0|4,0,0]=4 509 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,0,0,0,0,0|4,0,0]=4 510 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,0,0,0,0,0|4,0,0]=4 511 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,0,0,0,0,0|4,0,0]=4 512 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [0,0,0,0,0,0|4,0,0]=4 513 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [0,0,0,0,0,0|4,0,0]=4 514 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [0,0,0,0,0,0|4,0,0]=4 515 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [0,0,0,0,0,0|4,0,0]=4 516 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,0,0,0,0,0|3,0,0]=3 517 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [0,0,0,0,0,0|4,0,0]=4 518 B10R0.1 CCCOCCC(=O)CC#N 1458a_100051588842_100011215938 [0,0,0,0,0,0|3,0,1]=4 519 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,0,0,0,0,0|2,0,0]=2 520 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,0,0,0,0,0|3,0,0]=3 521 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,0,0,0,0,0|3,0,0]=3 522 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,0,0,0,0,0|3,0,0]=3 523 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,0,0,0,0,0|3,0,0]=3 524 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,0,0,0,0,0|3,0,1]=4 525 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,0,0,0,0,0|3,0,1]=4 526 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [0,0,0,0,0,0|4,0,0]=4 527 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [0,0,0,0,0,0|4,0,0]=4 528 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,0,0,0,0,0|3,0,1]=4 529 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,0,0,0,0,0|1,0,0]=1 530 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,0,0,0,0,0|3,0,0]=3 531 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,0,0,0,0,0|3,0,0]=3 532 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,0,0,0,0,0|3,0,0]=3 533 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,0,0,0,0,0|3,0,0]=3 534 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,0,0,0,0,0|1,0,0]=1 535 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,0,0,0,0,0|2,0,0]=2 536 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,0,0,0,0,0|3,0,0]=3 537 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [0,0,0,0,0,0|4,0,0]=4 538 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,0,0,0,0,0|4,0,0]=4 539 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,0,0,0,0,0|4,0,0]=4 540 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [0,0,0,0,0,0|4,0,0]=4 541 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,0,0,0,0,0|4,0,0]=4 542 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [0,0,0,0,0,0|4,0,0]=4 543 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [0,0,0,0,0,0|4,0,0]=4 544 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,0,0,0,0,0|4,0,0]=4 545 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,0,0,0,0,0|4,0,0]=4 546 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [0,0,0,0,0,0|4,0,0]=4 547 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [0,0,0,0,0,0|4,0,0]=4 548 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [0,0,0,0,0,0|4,0,0]=4 549 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [0,0,0,0,0,0|4,0,0]=4 550 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [0,0,0,0,0,0|4,0,0]=4 551 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [0,0,0,0,0,0|4,0,0]=4 552 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [0,0,0,0,0,0|4,0,0]=4 553 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,0,0,0,0,0|4,0,0]=4 554 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [0,0,0,0,0,0|4,0,0]=4 555 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [0,0,0,0,0,0|4,0,0]=4 556 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [0,0,0,0,0,0|4,0,0]=4 557 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [0,0,0,0,0,0|4,0,0]=4 558 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,0,0,0,0,0|4,0,0]=4 559 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,0,0,0,0,0|4,0,0]=4 560 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,0,0,0,0,0|4,0,0]=4 561 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,0,0,0,0,0|4,0,0]=4 562 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,0,0,0,0,0|4,0,0]=4 563 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,0,0,0,0,0|4,0,0]=4 564 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,0,0,0,0,0|4,0,0]=4 565 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,0,0,0,0,0|4,0,0]=4 566 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,0,0,0,0,0|4,0,0]=4 567 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,0,0,0,0,0|4,0,0]=4 568 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [0,0,0,0,0,0|4,0,0]=4 569 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [0,0,0,0,0,0|4,0,0]=4 570 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,0,0,0,0,0|4,0,0]=4 571 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,0,0,0,0,0|4,0,0]=4 572 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [0,0,0,0,0,0|4,0,0]=4 573 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [0,0,0,0,0,0|4,0,0]=4 574 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [0,0,0,0,0,0|4,0,0]=4 575 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [0,0,0,0,0,0|4,0,0]=4 576 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [0,0,0,0,0,0|4,0,0]=4 577 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [0,0,0,0,0,0|4,0,0]=4 578 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,0,0,0,0,0|3,0,0]=3 579 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,0,0,0,0,0|3,0,0]=3 580 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,0,0,0,0,0|3,0,0]=3 581 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,0,0,0,0,0|3,0,0]=3 582 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,0,0,0,0,0|3,0,0]=3 583 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,0,0,0,0,0|3,0,0]=3 584 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,0,0,0,0,0|3,0,0]=3 585 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,0,0,0,0,0|3,0,0]=3 586 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,0,0,0,0,0|3,0,0]=3 587 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,0,0,0,0,0|3,0,0]=3 588 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,0,0,0,0,0|3,0,0]=3 589 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,0,0,0,0,0|3,0,0]=3 590 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,0,0,0,0,0|3,0,0]=3 591 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,0,0,0,0,0|3,0,0]=3 592 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,0,0,0,0,0|3,0,0]=3 593 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,0,0,0,0,0|3,0,0]=3 594 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,0,0,0,0,0|3,0,0]=3 595 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [0,0,0,0,0,0|3,0,0]=3 596 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [0,0,0,0,0,0|3,0,0]=3 597 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [0,0,0,0,0,0|3,0,0]=3 598 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [0,0,0,0,0,0|3,0,0]=3 599 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [0,0,0,0,0,0|3,0,0]=3 600 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [0,0,0,0,0,0|3,0,0]=3 601 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,0,0,0,0,0|3,0,0]=3 602 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,0,0,0,0,0|3,0,0]=3 603 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,0,0,0,0,0|3,0,0]=3 604 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,0,0,0,0,0|3,0,0]=3 605 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,0,0,0,0,0|3,0,0]=3 606 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,0,0,0,0,0|3,0,0]=3 607 B10R0.1 CCNC(=O)NNCCOC 273464a_100015525214_100000741390 [0,0,0,0,0,0|4,0,0]=4 608 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [0,0,0,0,0,0|3,0,1]=4 609 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,0,0,0,0,0|3,0,0]=3 610 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [0,0,0,0,0,0|3,0,1]=4 611 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [0,0,0,0,0,0|3,0,1]=4 612 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,0,0,0,0,0|3,0,0]=3 613 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,0,0,0,0,0|3,0,0]=3 614 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,0,0,0,0,0|3,0,0]=3 615 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,0,0,0,0,0|3,0,0]=3 616 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,0,0,0,0,0|3,0,0]=3 617 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,0,0,0,0,0|3,0,0]=3 618 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,0,0,0,0,0|3,0,0]=3 619 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,0,0,0,0,0|3,0,0]=3 620 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,0,0,0,0,0|4,0,0]=4 621 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,0,0,0,0,0|3,0,0]=3 622 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,0,0,0,0,0|3,0,0]=3 623 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,0,0,0,0,0|4,0,0]=4 624 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,0,0,0,0,0|4,0,0]=4 625 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,0,0,0,0,0|4,0,0]=4 626 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,0,0,0,0,0|4,0,0]=4 627 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,0,0,0,0,0|4,0,0]=4 628 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,0,0,0,0,0|4,0,0]=4 629 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,0,0,0,0,0|4,0,0]=4 630 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,0,0,0,0,0|4,0,0]=4 631 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,0,0,0,0,0|4,0,0]=4 632 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,0,0,0,0,0|4,0,0]=4 633 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,0,0,0,0,0|4,0,0]=4 634 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,0,0,0,0,0|4,0,0]=4 635 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,0,0,0,0,0|4,0,0]=4 636 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,0,0,0,0,0|4,0,0]=4 637 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,0,0,0,0,0|4,0,0]=4 638 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,0,0,0,0,0|4,0,0]=4 639 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,0,0,0,0,0|4,0,0]=4 640 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,0,0,0,0,0|4,0,0]=4 641 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,0,0,0,0,0|4,0,0]=4 642 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,0,0,0,0,0|4,0,0]=4 643 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,0,0,0,0,0|4,0,0]=4 644 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,0,0,0,0,0|4,0,0]=4 645 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,0,0,0,0,0|4,0,0]=4 646 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,0,0,0,0,0|4,0,0]=4 647 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,0,0,0,0,0|4,0,0]=4 648 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,0,0,0,0,0|4,0,0]=4 649 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,0,0,0,0,0|4,0,0]=4 650 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,0,0,0,0,0|4,0,0]=4 651 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,0,0,0,0,0|4,0,0]=4 652 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,0,0,0,0,0|4,0,0]=4 653 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,0,0,0,0,0|4,0,0]=4 654 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,0,0,0,0,0|4,0,0]=4 655 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,0,0,0,0,0|4,0,0]=4 656 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,0,0,0,0,0|4,0,0]=4 657 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,0,0,0,0,0|4,0,0]=4 658 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,0,0,0,0,0|4,0,0]=4 659 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,0,0,0,0,0|4,0,0]=4 660 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,0,0,0,0,0|4,0,0]=4 661 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,0,0,0,0,0|4,0,0]=4 662 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,0,0,0,0,0|4,0,0]=4 663 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,0,0,0,0,0|4,0,0]=4 664 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,0,0,0,0,0|4,0,0]=4 665 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,0,0,0,0,0|4,0,0]=4 666 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,0,0,0,0,0|4,0,0]=4 667 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [0,0,0,0,0,0|4,0,0]=4 668 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,0,0,0,0,0|3,0,0]=3 669 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [0,0,0,0,0,0|4,0,0]=4 670 B10R0.1 CCOC(=O)OCSCC#N 62a_100011215382_100000075025 [0,0,0,0,0,0|3,0,1]=4 671 B10R0.1 CCOC(=O)OCSCC=O 62a_200015260668_100000075025 [0,0,0,0,0,0|3,0,1]=4 672 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,0,0,0,0,0|3,0,0]=3 673 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,0,0,0,0,0|3,0,0]=3 674 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,0,0,0,0,0|3,0,0]=3 675 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,0,0,0,0,0|3,0,0]=3 676 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [0,0,0,0,0,0|3,0,1]=4 677 B10R0.1 CCOCCCC(=O)CC#N 1458a_100051588842_100012232248 [0,0,0,0,0,0|3,0,1]=4 678 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,0,0,0,0,0|3,0,0]=3 679 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,0,0,0,0,0|3,0,0]=3 680 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,0,0,0,0,0|3,0,0]=3 681 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,0,0,0,0,0|3,0,0]=3 682 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,0,0,0,0,0|3,0,0]=3 683 B10R0.1 CCOCCNC(=O)CC#N 1626a_102516460346_100051588842 [0,0,0,0,0,0|3,0,1]=4 684 B10R0.1 CCOCCNC(=O)CC#N 240690a_100011200944_100051588842 [0,0,0,0,0,0|3,0,1]=4 685 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,0,0,0,0,0|3,0,0]=3 686 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,0,0,0,0,0|3,0,0]=3 687 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,0,0,0,0,0|3,0,0]=3 688 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,0,0,0,0,0|3,0,0]=3 689 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,0,0,0,0,0|3,0,0]=3 690 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [0,0,0,0,0,0|3,0,0]=3 691 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [0,0,0,0,0,0|3,0,0]=3 692 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [0,0,0,0,0,0|3,0,0]=3 693 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [0,0,0,0,0,0|3,0,0]=3 694 B10R0.1 CCOCCNC(=O)NNC 273464a_102516460346_100016993582 [0,0,0,0,0,0|4,0,0]=4 695 B10R0.1 CCOCCNC(=O)NNC 512a_100011200944_100016993582 [0,0,0,0,0,0|4,0,0]=4 696 B10R0.1 CCOCCNC(=O)NNC 512a_100016993582_100011200944 [0,0,0,0,0,0|4,0,0]=4 697 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,0,0,0,0,0|3,0,0]=3 698 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,0,0,0,0,0|2,0,0]=2 699 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,0,0,0,0,0|2,0,0]=2 700 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,0,0,0,0,0|2,0,0]=2 701 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,0,0,0,0,0|2,0,0]=2 702 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,0,0,0,0,0|2,0,0]=2 703 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,0,0,0,0,0|2,0,0]=2 704 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,0,0,0,0,0|2,0,0]=2 705 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,0,0,0,0,0|2,0,0]=2 706 B10R0.1 CCOCCOC(C)CCBr 34a_100012276601_100000210147 [0,0,0,0,0,0|3,0,1]=4 707 B10R0.1 CCOCCOC(C)CCO 34a_100000210136_100009893172 [0,0,0,0,0,0|3,0,1]=4 708 B10R0.1 CCOCCOC(C)CCO 7a_100000210136_100009893172 [0,0,0,0,0,0|3,0,1]=4 709 B10R0.1 CCOCCOC(C)COC 34a_100000210136_100000765312 [0,0,0,0,0,0|3,0,1]=4 710 B10R0.1 CCOCCOC(C)COC 7a_100000210136_100000765312 [0,0,0,0,0,0|3,0,1]=4 711 B10R0.1 CCOCCO[C@H](C)COC 34a_100011934205_100000210147 [0,0,0,0,0,0|3,0,1]=4 712 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,0,0,0,0,0|4,0,0]=4 713 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,0,0,0,0,0|4,0,0]=4 714 B10R0.1 CCSCCNC(=O)CC#N 1626a_100000106463_100051588842 [0,0,0,0,0,0|3,0,1]=4 715 B10R0.1 CCSCCNC(=O)CC#N 240690a_100000106463_100051588842 [0,0,0,0,0,0|3,0,1]=4 716 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,0,0,0,0,0|3,0,0]=3 717 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,0,0,0,0,0|3,0,0]=3 718 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,0,0,0,0,0|3,0,0]=3 719 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,0,0,0,0,0|3,0,0]=3 720 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,0,0,0,0,0|3,0,0]=3 721 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [0,0,0,0,0,0|3,0,0]=3 722 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [0,0,0,0,0,0|3,0,0]=3 723 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [0,0,0,0,0,0|3,0,0]=3 724 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [0,0,0,0,0,0|3,0,0]=3 725 B10R0.1 CCSCCNC(=O)NNC 273464a_100000106463_100016993582 [0,0,0,0,0,0|4,0,0]=4 726 B10R0.1 CCSCCNC(=O)NNC 512a_100000106463_100016993582 [0,0,0,0,0,0|4,0,0]=4 727 B10R0.1 CCSCCNC(=O)NNC 512a_100016993582_100000106463 [0,0,0,0,0,0|4,0,0]=4 728 B10R0.1 CCSCCOC(C)CCBr 34a_100012276601_100000757381 [0,0,0,0,0,0|3,0,1]=4 729 B10R0.1 CCSCCOC(C)CCO 34a_100000212035_100009893172 [0,0,0,0,0,0|3,0,1]=4 730 B10R0.1 CCSCCOC(C)CCO 7a_100000212035_100009893172 [0,0,0,0,0,0|3,0,1]=4 731 B10R0.1 CCSCCOC(C)COC 34a_100000212035_100000765312 [0,0,0,0,0,0|3,0,1]=4 732 B10R0.1 CCSCCOC(C)COC 7a_100000212035_100000765312 [0,0,0,0,0,0|3,0,1]=4 733 B10R0.1 CCSCCO[C@H](C)COC 34a_100011934205_100000757381 [0,0,0,0,0,0|3,0,1]=4 734 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [0,0,0,0,0,0|3,0,0]=3 735 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [0,0,0,0,0,0|3,0,0]=3 736 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [0,0,0,0,0,0|3,0,0]=3 737 B10R0.1 CNCCCOC(C)CCO 34a_100000213112_100009893172 [0,0,0,0,0,0|3,0,1]=4 738 B10R0.1 CNCCCOC(C)COC 34a_100000213112_100000765312 [0,0,0,0,0,0|3,0,1]=4 739 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,0,0,0,0,0|4,0,0]=4 740 B10R0.1 CNNC(=O)NCCCCO 273464a_100000750430_100016993582 [0,0,0,0,0,0|4,0,0]=4 741 B10R0.1 CNNC(=O)NCCCCO 512a_100000750430_100016993582 [0,0,0,0,0,0|4,0,0]=4 742 B10R0.1 CNNC(=O)NCCCCO 512a_100016993582_100000750430 [0,0,0,0,0,0|4,0,0]=4 743 B10R0.1 CNNC(=O)NCCCOC 273464a_100150723488_100016993582 [0,0,0,0,0,0|4,0,0]=4 744 B10R0.1 CNNC(=O)NCCCOC 512a_100016993582_100150723488 [0,0,0,0,0,0|4,0,0]=4 745 B10R0.1 CNNC(=O)NCCCSC 273464a_100000749238_100016993582 [0,0,0,0,0,0|4,0,0]=4 746 B10R0.1 CNNC(=O)NCCCSC 512a_100000749238_100016993582 [0,0,0,0,0,0|4,0,0]=4 747 B10R0.1 CNNC(=O)NCCCSC 512a_100016993582_100000749238 [0,0,0,0,0,0|4,0,0]=4 748 B10R0.1 COCC(=O)CCCCC#N 1458a_100000210968_100000211819 [0,0,0,0,0,0|3,0,1]=4 749 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,0,0,0,0,0|3,0,0]=3 750 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,0,0,0,0,0|3,0,0]=3 751 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,0,0,0,0,0|4,0,0]=4 752 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,0,0,0,0,0|3,0,0]=3 753 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,0,0,0,0,0|3,0,0]=3 754 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,0,0,0,0,0|3,0,0]=3 755 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,0,0,0,0,0|3,0,0]=3 756 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,0,0,0,0,0|3,0,0]=3 757 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,0,0,0,0,0|3,0,0]=3 758 B10R0.1 COCC(C)OCCCCBr 34a_100011216708_100000765312 [0,0,0,0,0,0|3,0,1]=4 759 B10R0.1 COCC(C)OCCCCCl 34a_100000210776_100000765312 [0,0,0,0,0,0|3,0,1]=4 760 B10R0.1 COCC(C)OCCCCCl 7a_100000210776_100000765312 [0,0,0,0,0,0|3,0,1]=4 761 B10R0.1 COCC(C)OCCCCF 34a_100011995726_100000765312 [0,0,0,0,0,0|3,0,1]=4 762 B10R0.1 COCC(C)OCCCCF 7a_100011995726_100000765312 [0,0,0,0,0,0|3,0,1]=4 763 B10R0.1 COCC(C)OCCCCI 34a_200012148704_100000765312 [0,0,0,0,0,0|3,0,1]=4 764 B10R0.1 COCC(C)OCCCCN 34a_100000750430_100000765312 [0,0,0,0,0,0|3,0,1]=4 765 B10R0.1 COCC(C)OCCCSC 34a_100000690336_100000765312 [0,0,0,0,0,0|3,0,1]=4 766 B10R0.1 COCC(C)OCCCSC 7a_100000690336_100000765312 [0,0,0,0,0,0|3,0,1]=4 767 B10R0.1 COCCCCC(=O)CC#N 1458a_100051588842_100000755781 [0,0,0,0,0,0|3,0,1]=4 768 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,0,0,0,0,0|3,0,0]=3 769 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,0,0,0,0,0|3,0,0]=3 770 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,0,0,0,0,0|3,0,0]=3 771 B10R0.1 COCCCNC(=O)CC#N 1626a_100150723488_100051588842 [0,0,0,0,0,0|3,0,1]=4 772 B10R0.1 COCCCNC(=O)CC#N 240690a_100150723488_100051588842 [0,0,0,0,0,0|3,0,1]=4 773 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,0,0,0,0,0|3,0,0]=3 774 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,0,0,0,0,0|3,0,0]=3 775 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,0,0,0,0,0|3,0,0]=3 776 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,0,0,0,0,0|3,0,0]=3 777 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,0,0,0,0,0|3,0,0]=3 778 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [0,0,0,0,0,0|3,0,0]=3 779 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [0,0,0,0,0,0|3,0,0]=3 780 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [0,0,0,0,0,0|3,0,0]=3 781 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [0,0,0,0,0,0|3,0,0]=3 782 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [0,0,0,0,0,0|3,0,0]=3 783 B10R0.1 COCCCOC(C)CCBr 34a_100012276601_100000740836 [0,0,0,0,0,0|3,0,1]=4 784 B10R0.1 COCCCOC(C)CCO 34a_100000740835_100009893172 [0,0,0,0,0,0|3,0,1]=4 785 B10R0.1 COCCCOC(C)COC 34a_100000740835_100000765312 [0,0,0,0,0,0|3,0,1]=4 786 B10R0.1 COCCCO[C@H](C)COC 34a_100011934205_100000740836 [0,0,0,0,0,0|3,0,1]=4 787 B10R0.1 COCCNNC(=O)CCO 22a_100000741390_100011216618 [0,0,0,0,0,0|4,0,0]=4 788 B10R0.1 COCCNNC(=O)COC 22a_100000741390_100000210968 [0,0,0,0,0,0|4,0,0]=4 789 B10R0.1 COCCNNC(=O)CSC 22a_100000741390_100000184570 [0,0,0,0,0,0|4,0,0]=4 790 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [0,0,0,0,0,0|4,0,0]=4 791 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,0,0,0,0,0|4,0,0]=4 792 B10R0.1 COC[C@@H](C)OCCCCF 34a_100011934205_100000729493 [0,0,0,0,0,0|3,0,1]=4 793 B10R0.1 COC[C@@H](C)OCCCCO 34a_100011934205_100011216708 [0,0,0,0,0,0|3,0,1]=4 794 B10R0.1 CSCC(=O)CCCCC#N 1458a_100000184570_100000211819 [0,0,0,0,0,0|3,0,1]=4 795 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,0,0,0,0,0|3,0,0]=3 796 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,0,0,0,0,0|3,0,0]=3 797 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [0,0,0,0,0,0|4,0,0]=4 798 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,0,0,0,0,0|3,0,0]=3 799 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,0,0,0,0,0|3,0,0]=3 800 B10R0.1 CSCCCNC(=O)CC#N 1626a_100000749238_100051588842 [0,0,0,0,0,0|3,0,1]=4 801 B10R0.1 CSCCCNC(=O)CC#N 240690a_100000749238_100051588842 [0,0,0,0,0,0|3,0,1]=4 802 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,0,0,0,0,0|3,0,0]=3 803 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,0,0,0,0,0|3,0,0]=3 804 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,0,0,0,0,0|3,0,0]=3 805 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,0,0,0,0,0|3,0,0]=3 806 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,0,0,0,0,0|3,0,0]=3 807 B10R0.1 CSCCCOC(C)CCO 34a_100000690336_100009893172 [0,0,0,0,0,0|3,0,1]=4 808 B10R0.1 CSCCCOC(C)CCO 7a_100000690336_100009893172 [0,0,0,0,0,0|3,0,1]=4 809 B10R0.1 N#CCC(=O)CCCCCF 1458a_100051588842_100000729378 [0,0,0,0,0,0|3,0,1]=4 810 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [0,0,0,0,0,0|3,0,1]=4 811 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [0,0,0,0,0,0|3,0,1]=4 812 B10R0.1 N#CCC(=O)NCCCCO 240690a_100000750430_100051588842 [0,0,0,0,0,0|3,0,1]=4 813 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [0,0,0,0,0,0|3,0,1]=4 814 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,0,0,0,0,0|3,0,0]=3 815 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [0,0,0,0,0,0|4,0,0]=4 816 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,0,0,0,0,0|3,0,0]=3 817 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,0,0,0,0,0|3,0,0]=3 818 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,0,0,0,0,0|3,0,0]=3 819 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,0,0,0,0,0|4,0,0]=4 820 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,0,0,0,0,0|4,0,0]=4 821 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,0,0,0,0,0|3,0,0]=3 822 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [1,0,0,0,0,0|0,0,2]=3 823 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [1,0,0,0,0,0|0,0,2]=3 824 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [1,0,0,0,0,0|1,0,2]=4 825 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [1,0,0,0,0,0|1,0,2]=4 826 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [1,0,0,0,0,0|1,0,2]=4 827 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [1,0,0,0,0,0|1,0,2]=4 828 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [1,0,0,0,0,0|1,0,2]=4 829 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [1,0,0,0,0,0|1,0,2]=4 830 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [1,0,0,0,0,0|1,0,2]=4 831 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [1,0,0,0,0,0|1,0,2]=4 832 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [1,0,0,0,0,0|1,0,2]=4 833 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [1,0,0,0,0,0|1,0,2]=4 834 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [1,0,0,0,0,0|1,0,2]=4 835 B9R0.5 C#CCC(=O)CSCCC 1458a_100000217233_100000184674 [1,0,0,0,0,0|1,0,2]=4 836 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [1,0,0,0,0,0|1,0,2]=4 837 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [1,0,0,0,0,0|1,0,2]=4 838 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [1,0,0,0,0,0|0,0,2]=3 839 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [1,0,0,0,0,0|0,0,2]=3 840 B9R0.5 C#CCCCC(=O)CCF 1458a_100000690238_100011217306 [1,0,0,0,0,0|1,0,2]=4 841 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [1,0,0,0,0,0|1,0,2]=4 842 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [1,0,0,0,0,0|1,0,2]=4 843 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [1,0,0,0,0,0|1,0,2]=4 844 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [1,0,0,0,0,0|1,0,2]=4 845 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [1,0,0,0,0,0|1,0,2]=4 846 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [1,0,0,0,0,0|1,0,2]=4 847 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [1,0,0,0,0,0|1,0,2]=4 848 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 849 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 850 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 851 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 852 B9R0.5 C#CCOCC(=O)CCC 1458a_100011251226_100000210303 [1,0,0,0,0,0|1,0,2]=4 853 B9R0.5 C#CCSCC(=O)CCC 62a_100000038162_100000747444 [1,0,0,0,0,0|1,0,2]=4 854 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,0,0,0,0,0|0,0,2]=3 855 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,0,0,0,0,0|0,0,2]=3 856 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [1,0,0,0,0,0|1,0,2]=4 857 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [1,0,0,0,0,0|1,0,2]=4 858 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [1,0,0,0,0,0|1,0,2]=4 859 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [1,0,0,0,0,0|1,0,2]=4 860 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [1,0,0,0,0,0|1,0,2]=4 861 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [1,0,0,0,0,0|1,0,2]=4 862 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [1,0,0,0,0,0|1,0,2]=4 863 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [1,0,0,0,0,0|1,0,2]=4 864 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [1,0,0,0,0,0|1,0,2]=4 865 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [1,0,0,0,0,0|1,0,2]=4 866 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [1,0,0,0,0,0|1,0,2]=4 867 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [1,0,0,0,0,0|1,0,2]=4 868 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 869 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 870 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 871 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 872 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,0,0,0,0,0|0,0,2]=3 873 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,0,0,0,0,0|0,0,2]=3 874 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [1,0,0,0,0,0|1,0,2]=4 875 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [1,0,0,0,0,0|1,0,2]=4 876 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [1,0,0,0,0,0|1,0,2]=4 877 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [1,0,0,0,0,0|1,0,2]=4 878 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [1,0,0,0,0,0|1,0,2]=4 879 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [1,0,0,0,0,0|1,0,2]=4 880 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [1,0,0,0,0,0|1,0,2]=4 881 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [1,0,0,0,0,0|1,0,2]=4 882 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 883 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 884 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 885 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 886 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [1,0,0,0,0,0|1,0,2]=4 887 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [1,0,0,0,0,0|1,0,2]=4 888 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [1,0,0,0,0,0|1,0,2]=4 889 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [1,0,0,0,0,0|1,0,2]=4 890 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [1,0,0,0,0,0|1,0,2]=4 891 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,0,0,0,0,0|0,0,2]=3 892 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [1,0,0,0,0,0|1,0,2]=4 893 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [1,0,0,0,0,0|1,0,2]=4 894 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [1,0,0,0,0,0|1,0,2]=4 895 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [1,0,0,0,0,0|1,0,2]=4 896 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [1,0,0,0,0,0|1,0,2]=4 897 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [1,0,0,0,0,0|1,0,2]=4 898 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [1,0,0,0,0,0|1,0,2]=4 899 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [1,0,0,0,0,0|1,0,2]=4 900 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,0,0,0,0,0|0,0,2]=3 901 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [1,0,0,0,0,0|1,0,2]=4 902 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [1,0,0,0,0,0|1,0,2]=4 903 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [1,0,0,0,0,0|1,0,2]=4 904 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [1,0,0,0,0,0|1,0,2]=4 905 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [1,0,0,0,0,0|1,0,2]=4 906 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,0,0,0,0,0|0,0,2]=3 907 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [1,0,0,0,0,0|1,0,2]=4 908 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [1,0,0,0,0,0|1,0,2]=4 909 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [1,0,0,0,0,0|1,0,2]=4 910 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,0,0,0,0,0|0,0,2]=3 911 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [1,0,0,0,0,0|1,0,2]=4 912 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,0,0,0,0,0|1,0,2]=4 913 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [1,0,0,0,0,0|1,0,2]=4 914 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,0,0,0,0,0|1,0,2]=4 915 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [1,0,0,0,0,0|1,0,2]=4 916 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 917 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 918 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 919 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [1,0,0,0,0,0|0,0,2]=3 920 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [1,0,0,0,0,0|1,0,2]=4 921 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [1,0,0,0,0,0|1,0,2]=4 922 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [1,0,0,0,0,0|1,0,2]=4 923 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [1,0,0,0,0,0|2,0,1]=4 924 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [1,0,0,0,0,0|0,0,2]=3 925 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [1,0,0,0,0,0|1,0,2]=4 926 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [1,0,0,0,0,0|1,0,2]=4 927 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [1,0,0,0,0,0|1,0,2]=4 928 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [1,0,0,0,0,0|1,0,2]=4 929 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [1,0,0,0,0,0|1,0,2]=4 930 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [1,0,0,0,0,0|1,0,2]=4 931 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [1,0,0,0,0,0|1,0,1]=3 932 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [1,0,0,0,0,0|1,0,1]=3 933 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,0,0,0,0,0|1,0,0]=2 934 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,0,0,0,0,0|1,0,0]=2 935 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,0,0,0,0,0|1,0,0]=2 936 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,0,0,0,0,0|1,0,0]=2 937 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,0,0,0,0,0|1,0,0]=2 938 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,0,0,0,0,0|1,0,0]=2 939 B9R0.5 CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210303 [1,0,0,0,0,0|3,0,0]=4 940 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,0,0,0,0,0|1,0,0]=2 941 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,0,0,0,0,0|1,0,0]=2 942 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,0,0,0,0,0|1,0,0]=2 943 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,0,0,0,0,0|1,0,0]=2 944 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,0,0,0,0,0|2,0,0]=3 945 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,0,0,0,0,0|2,0,0]=3 946 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [1,0,0,0,0,0|2,0,1]=4 947 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [1,0,0,0,0,0|2,0,1]=4 948 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [1,0,0,0,0,0|2,0,1]=4 949 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [1,0,0,0,0,0|2,0,1]=4 950 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [1,0,0,0,0,0|2,0,1]=4 951 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [1,0,0,0,0,0|2,0,0]=3 952 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [1,0,0,0,0,0|2,0,0]=3 953 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,0,0,0,0,0|2,0,0]=3 954 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,0,0,0,0,0|2,0,0]=3 955 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [1,0,0,0,0,0|2,0,0]=3 956 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [1,0,0,0,0,0|2,0,0]=3 957 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [1,0,0,0,0,0|2,0,0]=3 958 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [1,0,0,0,0,0|2,0,0]=3 959 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 960 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 961 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 962 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 963 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 964 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 965 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 966 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 967 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,0,0,0,0,0|2,0,0]=3 968 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,0,0,0,0,0|2,0,0]=3 969 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,0,0,0,0,0|2,0,0]=3 970 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,0,0,0,0,0|2,0,0]=3 971 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,0,0,0,0,0|2,0,0]=3 972 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 973 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 974 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 975 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 976 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [1,0,0,0,0,0|3,0,0]=4 977 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,0,0,0,0,0|1,0,0]=2 978 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,0,0,0,0,0|1,0,0]=2 979 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,0,0,0,0,0|1,0,0]=2 980 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [1,0,0,0,0,0|2,0,0]=3 981 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [1,0,0,0,0,0|2,0,1]=4 982 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [1,0,0,0,0,0|2,0,1]=4 983 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [1,0,0,0,0,0|2,0,1]=4 984 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [1,0,0,0,0,0|2,0,1]=4 985 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,0,0,0,0,0|2,0,1]=4 986 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,0,0,0,0,0|2,0,1]=4 987 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [1,0,0,0,0,0|2,0,1]=4 988 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [1,0,0,0,0,0|2,0,1]=4 989 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [1,0,0,0,0,0|2,0,1]=4 990 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [1,0,0,0,0,0|2,0,1]=4 991 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [1,0,0,0,0,0|2,0,1]=4 992 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [1,0,0,0,0,0|2,0,1]=4 993 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [1,0,0,0,0,0|2,0,1]=4 994 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [1,0,0,0,0,0|2,0,1]=4 995 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [1,0,0,0,0,0|2,0,1]=4 996 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [1,0,0,0,0,0|2,0,1]=4 997 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [1,0,0,0,0,0|2,0,1]=4 998 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [1,0,0,0,0,0|2,0,1]=4 999 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [1,0,0,0,0,0|2,0,1]=4 1000 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [1,0,0,0,0,0|2,0,1]=4 1001 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [1,0,0,0,0,0|2,0,1]=4 1002 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,0,0,0,0,0|0,0,2]=3 1003 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [1,0,0,0,0,0|1,0,2]=4 1004 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [1,0,0,0,0,0|1,0,2]=4 1005 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,0,0,0,0,0|1,0,2]=4 1006 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,0,0,0,0,0|1,0,2]=4 1007 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [1,0,0,0,0,0|1,0,2]=4 1008 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [1,0,0,0,0,0|1,0,2]=4 1009 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [1,0,0,0,0,0|1,0,2]=4 1010 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [1,0,0,0,0,0|1,0,1]=3 1011 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [1,0,0,0,0,0|1,0,1]=3 1012 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,0,0,0,0,0|0,0,0]=1 1013 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,0,0,0,0,0|0,0,0]=1 1014 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,0,0,0,0,0|1,0,0]=2 1015 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,0,0,0,0,0|1,0,0]=2 1016 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,0,0,0,0,0|1,0,0]=2 1017 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,0,0,0,0,0|1,0,0]=2 1018 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,0,0,0,0,0|1,0,0]=2 1019 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,0,0,0,0,0|1,0,0]=2 1020 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,0,0,0,0,0|1,0,0]=2 1021 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,0,0,0,0,0|1,0,0]=2 1022 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,0,0,0,0,0|1,0,0]=2 1023 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,0,0,0,0,0|1,0,0]=2 1024 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,0,0,0,0,0|1,0,0]=2 1025 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,0,0,0,0,0|1,0,0]=2 1026 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,0,0,0,0,0|1,0,0]=2 1027 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,0,0,0,0,0|1,0,0]=2 1028 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,0,0,0,0,0|1,0,0]=2 1029 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,0,0,0,0,0|1,0,0]=2 1030 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,0,0,0,0,0|2,0,0]=3 1031 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,0,0,0,0,0|2,0,1]=4 1032 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,0,0,0,0,0|2,0,1]=4 1033 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,0,0,0,0,0|2,0,1]=4 1034 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,0,0,0,0,0|2,0,1]=4 1035 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,0,0,0,0,0|2,0,1]=4 1036 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,0,0,0,0,0|2,0,1]=4 1037 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [1,0,0,0,0,0|2,0,1]=4 1038 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [1,0,0,0,0,0|2,0,1]=4 1039 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,0,0,0,0,0|2,0,0]=3 1040 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,0,0,0,0,0|2,0,0]=3 1041 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,0,0,0,0,0|2,0,0]=3 1042 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,0,0,0,0,0|2,0,0]=3 1043 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,0,0,0,0,0|2,0,0]=3 1044 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,0,0,0,0,0|2,0,0]=3 1045 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [1,0,0,0,0,0|3,0,0]=4 1046 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [1,0,0,0,0,0|3,0,0]=4 1047 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,0,0,0,0,0|3,0,0]=4 1048 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,0,0,0,0,0|3,0,0]=4 1049 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,0,0,0,0,0|3,0,0]=4 1050 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,0,0,0,0,0|3,0,0]=4 1051 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,0,0,0,0,0|3,0,0]=4 1052 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,0,0,0,0,0|3,0,0]=4 1053 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [1,0,0,0,0,0|3,0,0]=4 1054 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [1,0,0,0,0,0|3,0,0]=4 1055 B9R0.5 CCCCCN(C)CSC 2230a_100000223495_100011218213 [1,0,0,0,0,0|3,0,0]=4 1056 B9R0.5 CCCCCN(C)CSC 269982a_100000223495_100011218213 [1,0,0,0,0,0|3,0,0]=4 1057 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,0,0,0,0,0|2,0,0]=3 1058 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,0,0,0,0,0|2,0,0]=3 1059 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,0,0,0,0,0|3,0,0]=4 1060 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,0,0,0,0,0|3,0,0]=4 1061 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [1,0,0,0,0,0|2,0,1]=4 1062 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [1,0,0,0,0,0|2,0,1]=4 1063 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 1064 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 1065 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 1066 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 1067 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,0,0,0,0,0|2,0,0]=3 1068 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [1,0,0,0,0,0|2,0,0]=3 1069 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [1,0,0,0,0,0|2,0,0]=3 1070 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [1,0,0,0,0,0|2,0,0]=3 1071 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 1072 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 1073 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 1074 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [1,0,0,0,0,0|2,0,0]=3 1075 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 1076 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 1077 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 1078 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 1079 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 1080 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [1,0,0,0,0,0|2,0,0]=3 1081 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [1,0,0,0,0,0|2,0,0]=3 1082 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [1,0,0,0,0,0|2,0,0]=3 1083 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [1,0,0,0,0,0|2,0,0]=3 1084 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 1085 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 1086 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 1087 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 1088 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 1089 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 1090 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [1,0,0,0,0,0|3,0,0]=4 1091 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [1,0,0,0,0,0|3,0,0]=4 1092 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [1,0,0,0,0,0|3,0,0]=4 1093 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [1,0,0,0,0,0|2,0,1]=4 1094 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [1,0,0,0,0,0|2,0,1]=4 1095 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [1,0,0,0,0,0|2,0,1]=4 1096 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [1,0,0,0,0,0|2,0,1]=4 1097 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,0,0,0,0,0|1,0,0]=2 1098 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,0,0,0,0,0|1,0,0]=2 1099 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,0,0,0,0,0|1,0,0]=2 1100 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,0,0,0,0,0|1,0,0]=2 1101 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,0,0,0,0,0|1,0,0]=2 1102 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,0,0,0,0,0|1,0,0]=2 1103 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,0,0,0,0,0|1,0,0]=2 1104 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,0,0,0,0,0|1,0,0]=2 1105 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [1,0,0,0,0,0|2,0,1]=4 1106 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,0,0,0,0,0|1,0,1]=3 1107 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,0,0,0,0,0|1,0,1]=3 1108 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,0,0,0,0,0|1,0,1]=3 1109 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,0,0,0,0,0|1,0,1]=3 1110 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,0,0,0,0,0|2,0,1]=4 1111 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,0,0,0,0,0|2,0,1]=4 1112 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [1,0,0,0,0,0|2,0,1]=4 1113 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [1,0,0,0,0,0|2,0,1]=4 1114 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [1,0,0,0,0,0|2,0,1]=4 1115 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [1,0,0,0,0,0|1,1,1]=4 1116 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [1,0,0,0,0,0|1,1,1]=4 1117 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [1,0,0,0,0,0|3,0,0]=4 1118 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [1,0,0,0,0,0|3,0,0]=4 1119 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [1,0,0,0,0,0|3,0,0]=4 1120 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [1,0,0,0,0,0|3,0,0]=4 1121 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [1,0,0,0,0,0|3,0,0]=4 1122 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [1,0,0,0,0,0|3,0,0]=4 1123 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [1,0,0,0,0,0|3,0,0]=4 1124 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [1,0,0,0,0,0|3,0,0]=4 1125 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [1,0,0,0,0,0|3,0,0]=4 1126 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [1,0,0,0,0,0|3,0,0]=4 1127 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [1,0,0,0,0,0|3,0,0]=4 1128 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [1,0,0,0,0,0|3,0,0]=4 1129 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [1,0,0,0,0,0|3,0,0]=4 1130 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [1,0,0,0,0,0|3,0,0]=4 1131 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,0,0,0,0,0|2,0,0]=3 1132 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [1,0,0,0,0,0|2,0,1]=4 1133 B9R0.5 CCCNN=C(C)CCC 4a_100000740057_100000211909 [1,0,0,0,0,0|3,0,0]=4 1134 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [1,0,0,0,0,0|2,0,0]=3 1135 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [1,0,0,0,0,0|3,0,0]=4 1136 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [1,0,0,0,0,0|3,0,0]=4 1137 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [1,0,0,0,0,0|3,0,0]=4 1138 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [1,0,0,0,0,0|3,0,0]=4 1139 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [1,0,0,0,0,0|3,0,0]=4 1140 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [1,0,0,0,0,0|3,0,0]=4 1141 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [1,0,0,0,0,0|2,0,1]=4 1142 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,0,0,0,0,0|1,0,0]=2 1143 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,0,0,0,0,0|2,0,0]=3 1144 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,0,0,0,0,0|2,0,0]=3 1145 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 1146 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 1147 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,0,0,0,0,0|2,0,0]=3 1148 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 1149 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [1,0,0,0,0,0|3,0,0]=4 1150 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [1,0,0,0,0,0|3,0,0]=4 1151 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,0,0,0,0,0|2,0,0]=3 1152 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,0,0,0,0,0|2,0,1]=4 1153 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,0,0,0,0,0|2,0,1]=4 1154 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,0,0,0,0,0|2,0,1]=4 1155 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,0,0,0,0,0|2,0,1]=4 1156 B9R0.5 CCCSCC(=O)CC#N 1458a_100000217233_100011214920 [1,0,0,0,0,0|2,0,1]=4 1157 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,0,0,0,0,0|1,0,0]=2 1158 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,0,0,0,0,0|1,0,0]=2 1159 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,0,0,0,0,0|1,0,0]=2 1160 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,0,0,0,0,0|2,0,0]=3 1161 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,0,0,0,0,0|2,0,0]=3 1162 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 1163 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 1164 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 1165 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,0,0,0,0,0|2,0,0]=3 1166 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,0,0,0,0,0|2,0,0]=3 1167 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [1,0,0,0,0,0|3,0,0]=4 1168 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [1,0,0,0,0,0|3,0,0]=4 1169 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [1,0,0,0,0,0|3,0,0]=4 1170 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,0,0,0,0,0|2,0,0]=3 1171 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,0,0,0,0,0|2,0,0]=3 1172 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [1,0,0,0,0,0|2,0,1]=4 1173 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [1,0,0,0,0,0|2,0,1]=4 1174 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,0,0,0,0,0|2,0,1]=4 1175 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 1176 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 1177 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 1178 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,0,0,0,0,0|2,0,0]=3 1179 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,0,0,0,0,0|2,0,0]=3 1180 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,0,0,0,0,0|2,0,0]=3 1181 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,0,0,0,0,0|2,0,0]=3 1182 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,0,0,0,0,0|2,0,0]=3 1183 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,0,0,0,0,0|2,0,0]=3 1184 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [1,0,0,0,0,0|3,0,0]=4 1185 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,0,0,0,0,0|2,0,0]=3 1186 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,0,0,0,0,0|2,0,0]=3 1187 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,0,0,0,0,0|2,0,0]=3 1188 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,0,0,0,0,0|2,0,0]=3 1189 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,0,0,0,0,0|2,0,0]=3 1190 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,0,0,0,0,0|2,0,0]=3 1191 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,0,0,0,0,0|2,0,0]=3 1192 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,0,0,0,0,0|2,0,0]=3 1193 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [1,0,0,0,0,0|3,0,0]=4 1194 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [1,0,0,0,0,0|3,0,0]=4 1195 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [1,0,0,0,0,0|3,0,0]=4 1196 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [1,0,0,0,0,0|3,0,0]=4 1197 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [1,0,0,0,0,0|3,0,0]=4 1198 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [1,0,0,0,0,0|3,0,0]=4 1199 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [1,0,0,0,0,0|3,0,0]=4 1200 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [1,0,0,0,0,0|3,0,0]=4 1201 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [1,0,0,0,0,0|3,0,0]=4 1202 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [1,0,0,0,0,0|3,0,0]=4 1203 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [1,0,0,0,0,0|3,0,0]=4 1204 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [1,0,0,0,0,0|3,0,0]=4 1205 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [1,0,0,0,0,0|3,0,0]=4 1206 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [1,0,0,0,0,0|3,0,0]=4 1207 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [1,0,0,0,0,0|3,0,0]=4 1208 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [1,0,0,0,0,0|3,0,0]=4 1209 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [1,0,0,0,0,0|3,0,0]=4 1210 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [1,0,0,0,0,0|3,0,0]=4 1211 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [1,0,0,0,0,0|3,0,0]=4 1212 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [1,0,0,0,0,0|3,0,0]=4 1213 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1214 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1215 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1216 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1217 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1218 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1219 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1220 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [1,0,0,0,0,0|3,0,0]=4 1221 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1222 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1223 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [1,0,0,0,0,0|3,0,0]=4 1224 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [1,0,0,0,0,0|3,0,0]=4 1225 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [1,0,0,0,0,0|3,0,0]=4 1226 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1227 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1228 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1229 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1230 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1231 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1232 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,0,0,0,0,0|2,0,0]=3 1233 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,0,0,0,0,0|2,0,0]=3 1234 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,0,0,0,0,0|2,0,0]=3 1235 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,0,0,0,0,0|2,0,0]=3 1236 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,0,0,0,0,0|2,0,0]=3 1237 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,0,0,0,0,0|2,0,0]=3 1238 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,0,0,0,0,0|2,0,0]=3 1239 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,0,0,0,0,0|2,0,0]=3 1240 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,0,0,0,0,0|2,0,0]=3 1241 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,0,0,0,0,0|2,0,0]=3 1242 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,0,0,0,0,0|2,0,0]=3 1243 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,0,0,0,0,0|2,0,0]=3 1244 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,0,0,0,0,0|2,0,0]=3 1245 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,0,0,0,0,0|2,0,0]=3 1246 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,0,0,0,0,0|2,0,0]=3 1247 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [1,0,0,0,0,0|3,0,0]=4 1248 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [1,0,0,0,0,0|3,0,0]=4 1249 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [1,0,0,0,0,0|3,0,0]=4 1250 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,0,0,0,0,0|3,0,0]=4 1251 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,0,0,0,0,0|3,0,0]=4 1252 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [1,0,0,0,0,0|3,0,0]=4 1253 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [1,0,0,0,0,0|3,0,0]=4 1254 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [1,0,0,0,0,0|3,0,0]=4 1255 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [1,0,0,0,0,0|3,0,0]=4 1256 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,0,0,0,0,0|3,0,0]=4 1257 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,0,0,0,0,0|3,0,0]=4 1258 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [1,0,0,0,0,0|3,0,0]=4 1259 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [1,0,0,0,0,0|3,0,0]=4 1260 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [1,0,0,0,0,0|3,0,0]=4 1261 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [1,0,0,0,0,0|3,0,0]=4 1262 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,0,0,0,0,0|3,0,0]=4 1263 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,0,0,0,0,0|3,0,0]=4 1264 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,0,0,0,0,0|3,0,0]=4 1265 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,0,0,0,0,0|3,0,0]=4 1266 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,0,0,0,0,0|3,0,0]=4 1267 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,0,0,0,0,0|2,0,0]=3 1268 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [1,0,0,0,0,0|3,0,0]=4 1269 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [1,0,0,0,0,0|2,0,1]=4 1270 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [1,0,0,0,0,0|2,0,1]=4 1271 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,0,0,0,0,0|2,0,0]=3 1272 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,0,0,0,0,0|2,0,0]=3 1273 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,0,0,0,0,0|2,0,0]=3 1274 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,0,0,0,0,0|2,0,0]=3 1275 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,0,0,0,0,0|2,0,0]=3 1276 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [1,0,0,0,0,0|3,0,0]=4 1277 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,0,0,0,0,0|2,0,0]=3 1278 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [1,0,0,0,0,0|2,0,1]=4 1279 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [1,0,0,0,0,0|2,0,1]=4 1280 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,0,0,0,0,0|2,0,0]=3 1281 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,0,0,0,0,0|2,0,0]=3 1282 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,0,0,0,0,0|2,0,0]=3 1283 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,0,0,0,0,0|2,0,0]=3 1284 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,0,0,0,0,0|2,0,0]=3 1285 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [1,0,0,0,0,0|3,0,0]=4 1286 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [1,0,0,0,0,0|3,0,0]=4 1287 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [1,0,0,0,0,0|3,0,0]=4 1288 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [1,0,0,0,0,0|3,0,0]=4 1289 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [1,0,0,0,0,0|3,0,0]=4 1290 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [1,0,0,0,0,0|2,0,0]=3 1291 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [1,0,0,0,0,0|2,0,0]=3 1292 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [1,0,0,0,0,0|2,0,0]=3 1293 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [1,0,0,0,0,0|3,0,0]=4 1294 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [1,0,0,0,0,0|3,0,0]=4 1295 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [1,0,0,0,0,0|2,0,1]=4 1296 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,0,0,0,0,0|2,0,0]=3 1297 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,0,0,0,0,0|2,0,0]=3 1298 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1299 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1300 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1301 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1302 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [1,0,0,0,0,0|3,0,0]=4 1303 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [1,0,0,0,0,0|3,0,0]=4 1304 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1305 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1306 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1307 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1308 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [1,0,0,0,0,0|2,0,1]=4 1309 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [1,0,0,0,0,0|2,0,1]=4 1310 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,0,0,0,0,0|2,0,0]=3 1311 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,0,0,0,0,0|2,0,0]=3 1312 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,0,0,0,0,0|2,0,0]=3 1313 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,0,0,0,0,0|2,0,0]=3 1314 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,0,0,0,0,0|2,0,0]=3 1315 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [1,0,0,0,0,0|3,0,0]=4 1316 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [1,0,0,0,0,0|3,0,0]=4 1317 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [1,0,0,0,0,0|3,0,0]=4 1318 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [1,0,0,0,0,0|3,0,0]=4 1319 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [1,0,0,0,0,0|3,0,0]=4 1320 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [1,0,0,0,0,0|3,0,0]=4 1321 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [1,0,0,0,0,0|3,0,0]=4 1322 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [1,0,0,0,0,0|3,0,0]=4 1323 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [1,0,0,0,0,0|3,0,0]=4 1324 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [1,0,0,0,0,0|3,0,0]=4 1325 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [1,0,0,0,0,0|3,0,0]=4 1326 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [1,0,0,0,0,0|3,0,0]=4 1327 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [1,0,0,0,0,0|3,0,0]=4 1328 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [1,0,0,0,0,0|2,0,0]=3 1329 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [1,0,0,0,0,0|2,0,0]=3 1330 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [1,0,0,0,0,0|2,0,0]=3 1331 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [1,0,0,0,0,0|2,0,0]=3 1332 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [1,0,0,0,0,0|2,0,0]=3 1333 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [1,0,0,0,0,0|2,0,1]=4 1334 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,0,0,0,0,0|2,0,0]=3 1335 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,0,0,0,0,0|2,0,0]=3 1336 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1337 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1338 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1339 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1340 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [1,0,0,0,0,0|3,0,0]=4 1341 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [1,0,0,0,0,0|3,0,0]=4 1342 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [1,0,0,0,0,0|2,0,1]=4 1343 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,0,0,0,0,0|2,0,0]=3 1344 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,0,0,0,0,0|2,0,0]=3 1345 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [1,0,0,0,0,0|3,0,0]=4 1346 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1347 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1348 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1349 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1350 B9R0.5 N#CCC(=O)CCCCF 1458a_100051588842_100000729493 [1,0,0,0,0,0|2,0,1]=4 1351 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [1,0,0,0,0,0|2,0,1]=4 1352 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [1,0,0,0,0,0|2,0,1]=4 1353 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [1,0,0,0,0,0|2,0,1]=4 1354 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [1,0,0,0,0,0|2,0,1]=4 1355 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [1,0,0,0,0,0|2,0,1]=4 1356 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,0,0,0,0,0|2,0,0]=3 1357 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [1,0,0,0,0,0|3,0,0]=4 1358 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,0,0,0,0,0|2,0,0]=3 1359 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,0,0,0,0,0|2,0,0]=3 1360 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,0,0,0,0,0|2,0,0]=3 1361 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [1,0,0,0,0,0|3,0,0]=4 1362 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [1,0,0,0,0,0|3,0,0]=4 1363 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [1,0,0,0,0,0|3,0,0]=4 1364 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [1,0,0,0,0,0|0,0,3]=4 1365 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [1,0,0,0,0,0|0,0,3]=4 1366 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [1,0,0,0,0,0|0,0,3]=4 1367 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [1,0,0,0,0,0|0,0,3]=4 1368 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [1,0,0,0,0,0|0,0,3]=4 1369 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [1,0,0,0,0,0|0,0,3]=4 1370 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [1,0,0,0,0,0|0,0,3]=4 1371 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,0,0,0,0,0|0,0,3]=4 1372 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|0,0,3]=4 1373 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|0,0,3]=4 1374 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|0,0,3]=4 1375 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [1,0,0,0,0,0|0,0,3]=4 1376 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [1,0,0,0,0,0|0,0,3]=4 1377 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [1,0,0,0,0,0|0,0,3]=4 1378 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [1,0,0,0,0,0|0,0,3]=4 1379 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,0,0,0,0,0|0,0,3]=4 1380 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,0,0,0,0,0|0,0,3]=4 1381 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,0,0,0,0,0|0,0,3]=4 1382 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [1,0,0,0,0,0|0,0,3]=4 1383 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [1,0,0,0,0,0|0,0,3]=4 1384 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [1,0,0,0,0,0|0,0,3]=4 1385 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [1,0,0,0,0,0|0,0,3]=4 1386 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,0,0,0,0,0|2,0,1]=4 1387 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,0,0,0,0,0|2,0,1]=4 1388 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,0,0,0,0,0|2,0,1]=4 1389 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,0,0,0,0,0|2,0,1]=4 1390 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,0,0,0,0,0|2,0,1]=4 1391 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,0,0,0,0,0|2,0,1]=4 1392 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,0,0,0,0,0|2,0,1]=4 1393 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,0,0,0,0,0|2,0,1]=4 1394 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,0,0,0,0,0|2,0,1]=4 1395 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,0,0,0,0,0|2,0,1]=4 1396 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,0,0,0,0,0|2,0,1]=4 1397 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,0,0,0,0,0|2,0,1]=4 1398 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,0,0,0,0,0|2,0,1]=4 1399 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,0,0,0,0,0|0,0,3]=4 1400 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,0,0,0,0,0|0,0,3]=4 1401 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,0,0,0,0,0|0,0,3]=4 1402 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,0,0,0,0,0|2,0,1]=4 1403 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,0,0,0,0,0|2,0,1]=4 1404 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|0,0,3]=4 1405 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|0,0,3]=4 1406 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [1,0,0,0,0,0|0,0,3]=4 1407 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [1,0,0,0,0,0|0,0,3]=4 1408 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [1,0,0,0,0,0|0,0,3]=4 1409 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [1,0,0,0,0,0|2,0,0]=3 1410 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [1,0,0,0,0,0|2,0,0]=3 1411 B9R0.45 CCC/C=C/COCCF 34a_100016278788_100011217306 [1,0,0,0,0,0|3,0,0]=4 1412 B9R0.45 CCC/C=C/COCCF 7a_100016278788_100011217306 [1,0,0,0,0,0|3,0,0]=4 1413 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [1,0,0,0,0,0|3,0,0]=4 1414 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [1,0,0,0,0,0|3,0,0]=4 1415 B9R0.45 CCC/C=C/COCSC 34a_100016278788_100011218213 [1,0,0,0,0,0|3,0,0]=4 1416 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [1,0,0,0,0,0|2,0,1]=4 1417 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [1,0,0,0,0,0|2,0,1]=4 1418 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [1,0,0,0,0,0|2,0,1]=4 1419 B9R0.45 CCCC#CCOCCC 34a_100000034806_100000210303 [1,0,0,0,0,0|2,0,1]=4 1420 B9R0.45 CCCC#CCOCCC 7a_100000034806_100000210303 [1,0,0,0,0,0|2,0,1]=4 1421 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [1,0,0,0,0,0|2,0,0]=3 1422 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,0,0,0,0,0|2,0,0]=3 1423 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,0,0,0,0,0|2,0,0]=3 1424 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,0,0,0,0,0|2,0,0]=3 1425 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,0,0,0,0,0|2,0,0]=3 1426 B9R0.45 CCCCC=NNCCC 4a_100000740057_100000210104 [1,0,0,0,0,0|2,0,1]=4 1427 B9R0.45 CCCCCC#CCNC 2230a_106832991635_100009816472 [1,0,0,0,0,0|2,0,1]=4 1428 B9R0.45 CCCCCC#CCNC 34a_100102657272_100009816472 [1,0,0,0,0,0|2,0,1]=4 1429 B9R0.45 CCCCCC#CCNC 7a_106832991635_100009816472 [1,0,0,0,0,0|2,0,1]=4 1430 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [1,0,0,0,0,0|2,0,1]=4 1431 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [1,0,0,0,0,0|2,0,1]=4 1432 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [1,0,0,0,0,0|2,0,1]=4 1433 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [1,0,0,0,0,0|2,0,1]=4 1434 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [1,0,0,0,0,0|2,0,1]=4 1435 B9R0.45 CCCCCC#CCSC 62a_100009816472_200000210301 [1,0,0,0,0,0|2,0,1]=4 1436 B9R0.45 CCCCCC#CCSC 62a_200000210301_100009816472 [1,0,0,0,0,0|2,0,1]=4 1437 B9R0.45 CCCCCC#CCS[13CH3] 62a_100009816472_200025704644 [1,0,0,0,0,0|2,0,1]=4 1438 B9R0.45 CCCCCC#CCS[13CH3] 62a_200025704644_100009816472 [1,0,0,0,0,0|2,0,1]=4 1439 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [1,0,0,0,0,0|3,0,0]=4 1440 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|2,0,1]=4 1441 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|2,0,1]=4 1442 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|2,0,1]=4 1443 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|2,0,1]=4 1444 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|2,0,1]=4 1445 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|2,0,1]=4 1446 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|2,0,1]=4 1447 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|2,0,1]=4 1448 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|2,0,1]=4 1449 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|2,0,1]=4 1450 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|2,0,1]=4 1451 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|2,0,1]=4 1452 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|2,0,1]=4 1453 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|2,0,1]=4 1454 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|2,0,1]=4 1455 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|2,0,1]=4 1456 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|2,0,1]=4 1457 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|2,0,1]=4 1458 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|2,0,1]=4 1459 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|2,0,1]=4 1460 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|2,0,1]=4 1461 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|2,0,1]=4 1462 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|2,0,1]=4 1463 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,0,0,0,0,0|2,0,0]=3 1464 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,0,0,0,0,0|3,0,0]=4 1465 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,0,0,0,0,0|3,0,0]=4 1466 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,0,0,0,0,0|3,0,0]=4 1467 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,0,0,0,0,0|3,0,0]=4 1468 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,0,0,0,0,0|3,0,0]=4 1469 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,0,0,0,0,0|3,0,0]=4 1470 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,0,0,0,0,0|3,0,0]=4 1471 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,0,0,0,0,0|3,0,0]=4 1472 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|2,0,0]=3 1473 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|2,0,0]=3 1474 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|2,0,0]=3 1475 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,0,0,0,0,0|3,0,0]=4 1476 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,0,0,0,0,0|3,0,0]=4 1477 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,0,0,0,0,0|3,0,0]=4 1478 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,0,0,0,0,0|3,0,0]=4 1479 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,0,0,0,0,0|3,0,0]=4 1480 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|3,0,0]=4 1481 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,0,0,0,0,0|2,0,0]=3 1482 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,0,0,0,0,0|2,0,0]=3 1483 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,0,0,0,0,0|3,0,0]=4 1484 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,0,0,0,0,0|3,0,0]=4 1485 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,0,0,0,0,0|3,0,0]=4 1486 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,0,0,0,0,0|3,0,0]=4 1487 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,0,0,0,0,0|3,0,0]=4 1488 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,0,0,0,0,0|3,0,0]=4 1489 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,0,0,0,0,0|3,0,0]=4 1490 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,0,0,0,0,0|3,0,0]=4 1491 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,0,0,0,0,0|1,0,1]=3 1492 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,0,0,0,0,0|1,0,1]=3 1493 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,0,0,0,0,0|1,0,1]=3 1494 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [1,0,0,0,0,0|2,0,1]=4 1495 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [1,0,0,0,0,0|2,0,1]=4 1496 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [1,0,0,0,0,0|2,0,1]=4 1497 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,0,0,0,0,0|2,0,1]=4 1498 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,0,0,0,0,0|2,0,1]=4 1499 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,0,0,0,0,0|2,0,1]=4 1500 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,0,0,0,0,0|2,0,1]=4 1501 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,0,0,0,0,0|2,0,1]=4 1502 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,0,0,0,0,0|2,0,1]=4 1503 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,0,0,0,0,0|2,0,1]=4 1504 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [1,0,0,0,0,0|1,0,2]=4 1505 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,0,0,0,0,0|1,0,1]=3 1506 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,0,0,0,0,0|0,0,1]=2 1507 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,0,0,0,0,0|0,0,1]=2 1508 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,0,0,0,0,0|0,0,1]=2 1509 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,0,0,0,0,0|0,0,1]=2 1510 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,0,0,0,0,0|1,0,1]=3 1511 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,0,0,0,0,0|1,0,1]=3 1512 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,0,0,0,0,0|1,0,1]=3 1513 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,0,0,0,0,0|1,0,1]=3 1514 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,0,0,0,0,0|1,0,1]=3 1515 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,0,0,0,0,0|1,0,1]=3 1516 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,0,0,0,0,0|1,0,1]=3 1517 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,0,0,0,0,0|1,0,1]=3 1518 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,0,0,0,0,0|1,0,1]=3 1519 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,0,0,0,0,0|1,0,1]=3 1520 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,0,0,0,0,0|1,0,1]=3 1521 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,0,0,0,0,0|1,0,1]=3 1522 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [1,0,0,0,0,0|2,0,1]=4 1523 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,0,0,0,0,0|1,0,1]=3 1524 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,0,0,0,0,0|1,0,1]=3 1525 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,0,0,0,0,0|1,0,1]=3 1526 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,0,0,0,0,0|1,0,1]=3 1527 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,0,0,0,0,0|1,0,1]=3 1528 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,0,0,0,0,0|1,0,1]=3 1529 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,0,0,0,0,0|0,1,1]=3 1530 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,0,0,0,0,0|0,1,1]=3 1531 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [1,0,0,0,0,0|1,1,1]=4 1532 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [1,0,0,0,0,0|1,1,1]=4 1533 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,0,0,0,0,0|1,1,1]=4 1534 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,0,0,0,0,0|1,1,1]=4 1535 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,0,0,0,0,0|1,1,1]=4 1536 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,0,0,0,0,0|1,1,1]=4 1537 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,0,0,0,0,0|1,1,1]=4 1538 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,0,0,0,0,0|1,1,1]=4 1539 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [1,0,0,0,0,0|1,1,1]=4 1540 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [1,0,0,0,0,0|1,1,1]=4 1541 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [1,0,0,0,0,0|2,0,1]=4 1542 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [1,0,0,0,0,0|2,0,1]=4 1543 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,0,0,0,0,0|2,0,1]=4 1544 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,0,0,0,0,0|2,0,1]=4 1545 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,0,0,0,0,0|2,0,1]=4 1546 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,0,0,0,0,0|2,0,1]=4 1547 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,0,0,0,0,0|2,0,1]=4 1548 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,0,0,0,0,0|2,0,1]=4 1549 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,0,0,0,0,0|2,0,1]=4 1550 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,0,0,0,0,0|2,0,1]=4 1551 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [1,0,0,0,0,0|2,0,1]=4 1552 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [1,0,0,0,0,0|2,0,1]=4 1553 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [1,0,0,0,0,0|2,0,1]=4 1554 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [1,0,0,0,0,0|2,0,1]=4 1555 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [1,0,0,0,0,0|2,0,1]=4 1556 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [1,0,0,0,0,0|2,0,1]=4 1557 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [1,0,0,0,0,0|2,0,1]=4 1558 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [1,0,0,0,0,0|1,0,2]=4 1559 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,0,0,0,0,0|1,0,2]=4 1560 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [1,0,0,0,0,0|1,0,1]=3 1561 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [1,0,0,0,0,0|1,0,1]=3 1562 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [1,0,0,0,0,0|1,0,1]=3 1563 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [1,0,0,0,0,0|1,0,1]=3 1564 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [1,0,0,0,0,0|1,0,1]=3 1565 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [1,0,0,0,0,0|1,0,1]=3 1566 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [1,0,0,0,0,0|1,0,1]=3 1567 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [1,0,0,0,0,0|1,0,1]=3 1568 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [1,0,0,0,0,0|1,0,1]=3 1569 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,0,0,0,0,0|1,0,1]=3 1570 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,0,0,0,0,0|1,0,1]=3 1571 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,0,0,0,0,0|1,0,1]=3 1572 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,0,0,0,0,0|1,0,1]=3 1573 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,0,0,0,0,0|1,0,1]=3 1574 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,0,0,0,0,0|1,0,1]=3 1575 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,0,0,0,0,0|1,0,1]=3 1576 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,0,0,0,0,0|1,0,1]=3 1577 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,0,0,0,0,0|1,0,1]=3 1578 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,0,0,0,0,0|1,0,1]=3 1579 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,0,0,0,0,0|1,0,1]=3 1580 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,0,0,0,0,0|1,0,1]=3 1581 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,0,0,0,0,0|1,0,1]=3 1582 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,0,0,0,0,0|1,0,1]=3 1583 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,0,0,0,0,0|1,0,1]=3 1584 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,0,0,0,0,0|1,0,1]=3 1585 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [1,0,0,0,0,0|1,0,1]=3 1586 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [1,0,0,0,0,0|1,0,1]=3 1587 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [1,0,0,0,0,0|1,0,1]=3 1588 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [1,0,0,0,0,0|1,0,1]=3 1589 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [1,0,0,0,0,0|1,0,1]=3 1590 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [1,0,0,0,0,0|1,0,1]=3 1591 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [1,0,0,0,0,0|1,0,1]=3 1592 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [1,0,0,0,0,0|1,0,1]=3 1593 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [1,0,0,0,0,0|2,0,1]=4 1594 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [1,0,0,0,0,0|2,0,1]=4 1595 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [1,0,0,0,0,0|1,0,1]=3 1596 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [1,0,0,0,0,0|1,0,1]=3 1597 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [1,0,0,0,0,0|1,0,1]=3 1598 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [1,0,0,0,0,0|1,0,1]=3 1599 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [1,0,0,0,0,0|1,0,1]=3 1600 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [1,0,0,0,0,0|1,0,1]=3 1601 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [1,0,0,0,0,0|2,0,1]=4 1602 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [1,0,0,0,0,0|2,0,1]=4 1603 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [1,0,0,0,0,0|2,0,1]=4 1604 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [1,0,0,0,0,0|2,0,1]=4 1605 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [1,0,0,0,0,0|2,0,1]=4 1606 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [1,0,0,0,0,0|2,0,1]=4 1607 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [1,0,0,0,0,0|1,0,1]=3 1608 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [1,0,0,0,0,0|2,0,1]=4 1609 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [1,0,0,0,0,0|1,0,1]=3 1610 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [1,0,0,0,0,0|1,0,1]=3 1611 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [1,0,0,0,0,0|2,0,1]=4 1612 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [1,0,0,0,0,0|2,0,1]=4 1613 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [1,0,0,0,0,0|2,0,1]=4 1614 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [1,0,0,0,0,0|2,0,1]=4 1615 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [1,0,0,0,0,0|2,0,1]=4 1616 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [1,0,0,0,0,0|2,0,1]=4 1617 B9R0.45 CCCCOCSCSC 62a_100011218213_100011995733 [1,0,0,0,0,0|2,0,1]=4 1618 B9R0.45 CCCCOCSCSC 62a_100011995733_100011218213 [1,0,0,0,0,0|2,0,1]=4 1619 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [1,0,0,0,0,0|1,1,1]=4 1620 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [1,0,0,0,0,0|1,1,1]=4 1621 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,0,0,0,0,0|1,1,1]=4 1622 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,0,0,0,0,0|1,1,1]=4 1623 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,0,0,0,0,0|1,1,1]=4 1624 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,0,0,0,0,0|1,1,1]=4 1625 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [1,0,0,0,0,0|1,1,1]=4 1626 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [1,0,0,0,0,0|1,1,1]=4 1627 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [1,0,0,0,0,0|1,1,1]=4 1628 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [1,0,0,0,0,0|1,1,1]=4 1629 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [1,0,0,0,0,0|1,1,1]=4 1630 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [1,0,0,0,0,0|1,1,1]=4 1631 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [1,0,0,0,0,0|1,1,1]=4 1632 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,0,0,0,0,0|3,0,0]=4 1633 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,0,0,0,0,0|3,0,0]=4 1634 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [1,0,0,0,0,0|3,0,0]=4 1635 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [1,0,0,0,0,0|3,0,0]=4 1636 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [1,0,0,0,0,0|3,0,0]=4 1637 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [1,0,0,0,0,0|3,0,0]=4 1638 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [1,0,0,0,0,0|3,0,0]=4 1639 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,0,0,0,0,0|3,0,0]=4 1640 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,0,0,0,0,0|3,0,0]=4 1641 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,0,0,0,0,0|3,0,0]=4 1642 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,0,0,0,0,0|3,0,0]=4 1643 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,0,0,0,0,0|3,0,0]=4 1644 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,0,0,0,0,0|3,0,0]=4 1645 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,0,0,0,0,0|3,0,0]=4 1646 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,0,0,0,0,0|3,0,0]=4 1647 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,0,0,0,0,0|3,0,0]=4 1648 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,0,0,0,0,0|3,0,0]=4 1649 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,0,0,0,0,0|3,0,0]=4 1650 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,0,0,0,0,0|3,0,0]=4 1651 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,0,0,0,0,0|3,0,0]=4 1652 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,0,0,0,0,0|3,0,0]=4 1653 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,0,0,0,0,0|3,0,0]=4 1654 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,0,0,0,0,0|3,0,0]=4 1655 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,0,0,0,0,0|3,0,0]=4 1656 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,0,0,0,0,0|3,0,0]=4 1657 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,0,0,0,0,0|3,0,0]=4 1658 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,0,0,0,0,0|3,0,0]=4 1659 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [1,0,0,0,0,0|3,0,0]=4 1660 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [1,0,0,0,0,0|3,0,0]=4 1661 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [1,0,0,0,0,0|3,0,0]=4 1662 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [1,0,0,0,0,0|3,0,0]=4 1663 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [1,0,0,0,0,0|3,0,0]=4 1664 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [1,0,0,0,0,0|3,0,0]=4 1665 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [1,0,0,0,0,0|3,0,0]=4 1666 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,0,0,0,0,0|3,0,0]=4 1667 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,0,0,0,0,0|3,0,0]=4 1668 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,0,0,0,0,0|3,0,0]=4 1669 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,0,0,0,0,0|3,0,0]=4 1670 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,0,0,0,0,0|3,0,0]=4 1671 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,0,0,0,0,0|3,0,0]=4 1672 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [1,0,0,0,0,0|3,0,0]=4 1673 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [1,0,0,0,0,0|3,0,0]=4 1674 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [1,0,0,0,0,0|2,0,1]=4 1675 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [1,0,0,0,0,0|2,0,1]=4 1676 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [1,0,0,0,0,0|2,0,1]=4 1677 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [1,0,0,0,0,0|2,0,1]=4 1678 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [1,0,0,0,0,0|2,0,1]=4 1679 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [1,0,0,0,0,0|2,0,1]=4 1680 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [1,0,0,0,0,0|2,0,1]=4 1681 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [1,0,0,0,0,0|2,0,1]=4 1682 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [1,0,0,0,0,0|2,0,1]=4 1683 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [1,0,0,0,0,0|2,0,1]=4 1684 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [1,0,0,0,0,0|2,0,1]=4 1685 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [1,0,0,0,0,0|2,0,1]=4 1686 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [1,0,0,0,0,0|2,0,1]=4 1687 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [1,0,0,0,0,0|2,0,1]=4 1688 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [1,0,0,0,0,0|2,0,1]=4 1689 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [1,0,0,0,0,0|2,0,1]=4 1690 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [1,0,0,0,0,0|2,0,1]=4 1691 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [1,0,0,0,0,0|2,0,1]=4 1692 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [1,0,0,0,0,0|2,0,1]=4 1693 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [1,0,0,0,0,0|2,0,1]=4 1694 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [1,0,0,0,0,0|2,0,1]=4 1695 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [1,0,0,0,0,0|2,0,1]=4 1696 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [1,0,0,0,0,0|2,0,1]=4 1697 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [1,0,0,0,0,0|2,0,1]=4 1698 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [1,0,0,0,0,0|2,0,1]=4 1699 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [1,0,0,0,0,0|2,0,1]=4 1700 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [1,0,0,0,0,0|2,0,1]=4 1701 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [1,0,0,0,0,0|2,0,1]=4 1702 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [1,0,0,0,0,0|2,0,1]=4 1703 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [1,0,0,0,0,0|2,0,1]=4 1704 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [1,0,0,0,0,0|2,0,1]=4 1705 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [1,0,0,0,0,0|2,0,1]=4 1706 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [1,0,0,0,0,0|2,0,1]=4 1707 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [1,0,0,0,0,0|2,0,1]=4 1708 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [1,0,0,0,0,0|2,0,1]=4 1709 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [1,0,0,0,0,0|2,0,1]=4 1710 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [1,0,0,0,0,0|2,0,1]=4 1711 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [1,0,0,0,0,0|2,0,1]=4 1712 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [1,0,0,0,0,0|2,0,1]=4 1713 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [1,0,0,0,0,0|2,0,1]=4 1714 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [1,0,0,0,0,0|2,0,1]=4 1715 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [1,0,0,0,0,0|2,0,1]=4 1716 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [1,0,0,0,0,0|2,0,1]=4 1717 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [1,0,0,0,0,0|2,0,1]=4 1718 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [1,0,0,0,0,0|2,0,1]=4 1719 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [1,0,0,0,0,0|2,0,1]=4 1720 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [1,0,0,0,0,0|2,0,1]=4 1721 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [1,0,0,0,0,0|2,0,1]=4 1722 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [1,0,0,0,0,0|2,0,1]=4 1723 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [1,0,0,0,0,0|2,0,1]=4 1724 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [1,0,0,0,0,0|2,0,1]=4 1725 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [1,0,0,0,0,0|2,0,1]=4 1726 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [1,0,0,0,0,0|2,0,1]=4 1727 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [1,0,0,0,0,0|2,0,1]=4 1728 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [1,0,0,0,0,0|2,0,1]=4 1729 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [1,0,0,0,0,0|2,0,1]=4 1730 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [1,0,0,0,0,0|2,0,1]=4 1731 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [1,0,0,0,0,0|2,0,1]=4 1732 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [1,0,0,0,0,0|2,0,1]=4 1733 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [1,0,0,0,0,0|2,0,1]=4 1734 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [1,0,0,0,0,0|2,0,1]=4 1735 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [1,0,0,0,0,0|2,0,1]=4 1736 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [1,0,0,0,0,0|2,0,1]=4 1737 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [1,0,0,0,0,0|2,0,1]=4 1738 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [1,0,0,0,0,0|2,0,1]=4 1739 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [1,0,0,0,0,0|2,0,1]=4 1740 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [1,0,0,0,0,0|2,0,1]=4 1741 B9R0.45 CNCCCOCCSC 34a_100000213112_100000212216 [1,0,0,0,0,0|2,0,1]=4 1742 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [1,0,0,0,0,0|2,0,1]=4 1743 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [1,0,0,0,0,0|2,0,1]=4 1744 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [1,0,0,0,0,0|2,0,1]=4 1745 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [1,0,0,0,0,0|2,0,1]=4 1746 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [1,0,0,0,0,0|2,0,1]=4 1747 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [1,0,0,0,0,0|2,0,1]=4 1748 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [1,0,0,0,0,0|2,0,1]=4 1749 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [1,0,0,0,0,0|2,0,1]=4 1750 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [1,0,0,0,0,0|2,0,1]=4 1751 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [1,0,0,0,0,0|2,0,1]=4 1752 B9R0.45 COCCCOCCSC 34a_100000230434_100000740836 [1,0,0,0,0,0|2,0,1]=4 1753 B9R0.45 COCCCOCCSC 34a_100000740835_100000212216 [1,0,0,0,0,0|2,0,1]=4 1754 B9R0.45 COCCCOCCSC 7a_100000230434_100000740836 [1,0,0,0,0,0|2,0,1]=4 1755 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [1,0,0,0,0,0|2,0,1]=4 1756 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [1,0,0,0,0,0|2,0,1]=4 1757 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [1,0,0,0,0,0|2,0,1]=4 1758 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [1,0,0,0,0,0|2,0,1]=4 1759 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [1,0,0,0,0,0|2,0,1]=4 1760 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [1,0,0,0,0,0|2,0,1]=4 1761 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [1,0,0,0,0,0|2,0,1]=4 1762 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [1,0,0,0,0,0|2,0,1]=4 1763 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [1,0,0,0,0,0|2,0,1]=4 1764 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [1,0,0,0,0,0|2,0,1]=4 1765 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [1,0,0,0,0,0|2,0,1]=4 1766 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [1,0,0,0,0,0|2,0,1]=4 1767 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [1,0,0,0,0,0|2,0,1]=4 1768 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [1,0,0,0,0,0|2,0,1]=4 1769 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [1,0,0,0,0,0|2,0,1]=4 1770 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [1,0,0,0,0,0|2,0,1]=4 1771 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [1,0,0,0,0,0|2,0,1]=4 1772 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [1,0,0,0,0,0|2,0,1]=4 1773 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [1,0,0,0,0,0|2,0,1]=4 1774 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [1,0,0,0,0,0|2,0,1]=4 1775 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [1,0,0,0,0,0|2,0,1]=4 1776 B9R0.45 CSCCCOCCSC 34a_100000690336_100000212216 [1,0,0,0,0,0|2,0,1]=4 1777 B9R0.45 CSCCCOCCSC 7a_100000690336_100000212216 [1,0,0,0,0,0|2,0,1]=4 1778 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [1,0,0,0,0,0|2,0,1]=4 1779 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [1,0,0,0,0,0|2,0,1]=4 1780 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [1,0,0,0,0,0|2,0,1]=4 1781 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [1,0,0,0,0,0|2,0,1]=4 1782 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [1,0,0,0,0,0|2,0,1]=4 1783 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [1,0,0,0,0,0|2,0,1]=4 1784 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [1,0,0,0,0,0|2,0,1]=4 1785 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [1,0,0,0,0,0|2,0,1]=4 1786 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [1,0,0,0,0,0|2,0,1]=4 1787 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [1,0,0,0,0,0|2,0,1]=4 1788 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [1,0,0,0,0,0|2,0,1]=4 1789 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [1,0,0,0,0,0|2,0,1]=4 1790 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [1,0,0,0,0,0|2,0,1]=4 1791 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [1,0,0,0,0,0|2,0,1]=4 1792 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [1,0,0,0,0,0|2,0,1]=4 1793 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [1,0,0,0,0,0|2,0,1]=4 1794 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [1,0,0,0,0,0|2,0,1]=4 1795 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [1,0,0,0,0,0|2,0,1]=4 1796 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [1,0,0,0,0,0|2,0,1]=4 1797 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [1,0,0,0,0,0|2,0,1]=4 1798 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [1,0,0,0,0,0|2,0,1]=4 1799 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [1,0,0,0,0,0|2,0,1]=4 1800 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [1,0,0,0,0,0|2,0,1]=4 1801 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [1,0,0,0,0,0|2,0,1]=4 1802 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [1,0,0,0,0,0|2,0,1]=4 1803 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [1,0,0,0,0,0|2,0,1]=4 1804 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [1,0,0,0,0,0|2,0,1]=4 1805 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [1,0,0,0,0,0|2,0,1]=4 1806 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [1,0,0,0,0,0|2,0,1]=4 1807 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [1,0,0,0,0,0|2,0,1]=4 1808 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [1,0,0,0,0,0|2,0,1]=4 1809 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [1,0,0,0,0,0|2,0,1]=4 1810 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [1,0,0,0,0,0|2,0,1]=4 1811 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [1,0,0,0,0,0|2,0,1]=4 1812 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [1,0,0,0,0,0|2,0,1]=4 1813 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [1,0,0,0,0,0|2,0,1]=4 1814 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [1,0,0,0,0,0|1,0,2]=4 1815 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [1,0,0,0,0,0|1,0,2]=4 1816 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [1,0,0,0,0,0|1,0,2]=4 1817 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [1,0,0,0,0,0|1,0,2]=4 1818 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [1,0,0,0,0,0|1,0,2]=4 1819 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [1,0,0,0,0,0|1,0,2]=4 1820 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [1,0,0,0,0,0|1,0,2]=4 1821 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [1,0,0,0,0,0|1,0,2]=4 1822 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [1,0,0,0,0,0|1,0,2]=4 1823 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [1,0,0,0,0,0|1,0,2]=4 1824 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [1,0,0,0,0,0|1,0,2]=4 1825 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [1,0,0,0,0,0|1,0,2]=4 1826 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [1,0,0,0,0,0|1,0,2]=4 1827 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [1,0,0,0,0,0|1,0,2]=4 1828 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,0,0,0,0,0|1,0,2]=4 1829 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,0,0,0,0,0|1,0,2]=4 1830 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 1831 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 1832 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 1833 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 1834 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,0,0,0,0,0|1,0,2]=4 1835 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [1,0,0,0,0,0|2,0,1]=4 1836 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,0,0,0,0,0|2,0,0]=3 1837 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,0,0,0,0,0|2,0,0]=3 1838 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,0,0,0,0,0|2,0,0]=3 1839 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,0,0,0,0,0|2,0,0]=3 1840 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,0,0,0,0,0|3,0,0]=4 1841 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,0,0,0,0,0|3,0,0]=4 1842 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [1,0,0,0,0,0|3,0,0]=4 1843 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [1,0,0,0,0,0|3,0,0]=4 1844 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [1,0,0,0,0,0|3,0,0]=4 1845 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [1,0,0,0,0,0|3,0,0]=4 1846 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [1,0,0,0,0,0|3,0,0]=4 1847 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [1,0,0,0,0,0|3,0,0]=4 1848 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [1,0,0,0,0,0|3,0,0]=4 1849 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [1,0,0,0,0,0|3,0,0]=4 1850 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [1,0,0,0,0,0|3,0,0]=4 1851 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [1,0,0,0,0,0|3,0,0]=4 1852 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [1,0,0,0,0,0|3,0,0]=4 1853 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [1,0,0,0,0,0|3,0,0]=4 1854 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [1,0,0,0,0,0|3,0,0]=4 1855 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [1,0,0,0,0,0|3,0,0]=4 1856 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,0,0,0,0,0|2,0,0]=3 1857 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,0,0,0,0,0|2,0,0]=3 1858 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [1,0,0,0,0,0|2,0,0]=3 1859 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [1,0,0,0,0,0|2,0,0]=3 1860 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [1,0,0,0,0,0|2,0,0]=3 1861 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [1,0,0,0,0,0|2,0,0]=3 1862 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [1,0,0,0,0,0|2,0,0]=3 1863 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [1,0,0,0,0,0|2,0,0]=3 1864 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [1,0,0,0,0,0|2,0,0]=3 1865 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [1,0,0,0,0,0|3,0,0]=4 1866 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [1,0,0,0,0,0|3,0,0]=4 1867 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [1,0,0,0,0,0|3,0,0]=4 1868 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [1,0,0,0,0,0|3,0,0]=4 1869 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [1,0,0,0,0,0|2,0,0]=3 1870 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [1,0,0,0,0,0|2,0,1]=4 1871 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [1,0,0,0,0,0|2,0,1]=4 1872 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [1,0,0,0,0,0|2,0,1]=4 1873 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [1,0,0,0,0,0|2,0,1]=4 1874 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [1,0,0,0,0,0|2,0,1]=4 1875 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [1,0,0,0,0,0|2,0,1]=4 1876 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [1,0,0,0,0,0|2,0,1]=4 1877 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [1,0,0,0,0,0|2,0,1]=4 1878 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [1,0,0,0,0,0|2,0,1]=4 1879 B9R0.46 CCC(C)OCCCNC 34a_100000213112_100011215416 [1,0,0,0,0,0|2,0,1]=4 1880 B9R0.46 CCC(C)OCCCOC 34a_100000740835_100011215416 [1,0,0,0,0,0|2,0,1]=4 1881 B9R0.46 CCC(C)OCCCOC 7a_100000210228_100000740836 [1,0,0,0,0,0|2,0,1]=4 1882 B9R0.46 CCC(C)OCCCSC 34a_100000690336_100011215416 [1,0,0,0,0,0|2,0,1]=4 1883 B9R0.46 CCC(C)OCCCSC 7a_100000690336_100000758301 [1,0,0,0,0,0|2,0,1]=4 1884 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [1,0,0,0,0,0|1,0,2]=4 1885 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [1,0,0,0,0,0|2,0,1]=4 1886 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [1,0,0,0,0,0|1,0,1]=3 1887 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [1,0,0,0,0,0|2,0,1]=4 1888 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [1,0,0,0,0,0|2,0,1]=4 1889 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [1,0,0,0,0,0|2,0,1]=4 1890 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [1,0,0,0,0,0|2,0,1]=4 1891 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,0,0,0,0,0|1,0,0]=2 1892 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,0,0,0,0,0|1,0,0]=2 1893 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,0,0,0,0,0|2,0,0]=3 1894 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,0,0,0,0,0|2,0,0]=3 1895 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,0,0,0,0,0|2,0,0]=3 1896 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,0,0,0,0,0|2,0,0]=3 1897 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,0,0,0,0,0|2,0,0]=3 1898 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,0,0,0,0,0|2,0,0]=3 1899 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [1,0,0,0,0,0|3,0,0]=4 1900 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [1,0,0,0,0,0|3,0,0]=4 1901 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [1,0,0,0,0,0|3,0,0]=4 1902 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [1,0,0,0,0,0|3,0,0]=4 1903 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,0,0,0,0,0|1,0,0]=2 1904 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,0,0,0,0,0|1,0,0]=2 1905 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,0,0,0,0,0|1,0,0]=2 1906 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,0,0,0,0,0|1,0,0]=2 1907 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,0,0,0,0,0|2,0,0]=3 1908 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,0,0,0,0,0|2,0,0]=3 1909 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [1,0,0,0,0,0|2,0,0]=3 1910 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [1,0,0,0,0,0|2,0,0]=3 1911 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [1,0,0,0,0,0|2,0,0]=3 1912 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [1,0,0,0,0,0|2,0,0]=3 1913 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [1,0,0,0,0,0|2,0,0]=3 1914 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [1,0,0,0,0,0|2,0,0]=3 1915 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [1,0,0,0,0,0|2,0,1]=4 1916 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [1,0,0,0,0,0|2,0,1]=4 1917 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,0,0,0,0,0|1,0,1]=3 1918 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,0,0,0,0,0|1,0,1]=3 1919 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,0,0,0,0,0|1,0,1]=3 1920 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [1,0,0,0,0,0|2,0,1]=4 1921 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [1,0,0,0,0,0|2,0,1]=4 1922 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [1,0,0,0,0,0|2,0,1]=4 1923 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [1,0,0,0,0,0|2,0,1]=4 1924 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [1,0,0,0,0,0|2,0,1]=4 1925 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [1,0,0,0,0,0|1,1,1]=4 1926 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [1,0,0,0,0,0|1,1,1]=4 1927 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,0,0,0,0,0|2,0,0]=3 1928 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [1,0,0,0,0,0|3,0,0]=4 1929 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [1,0,0,0,0,0|3,0,0]=4 1930 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [1,0,0,0,0,0|3,0,0]=4 1931 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [1,0,0,0,0,0|3,0,0]=4 1932 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [1,0,0,0,0,0|3,0,0]=4 1933 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [1,0,0,0,0,0|2,0,0]=3 1934 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [1,0,0,0,0,0|3,0,0]=4 1935 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [1,0,0,0,0,0|3,0,0]=4 1936 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [1,0,0,0,0,0|3,0,0]=4 1937 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [1,0,0,0,0,0|3,0,0]=4 1938 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,0,0,0,0,0|2,0,0]=3 1939 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,0,0,0,0,0|2,0,0]=3 1940 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,0,0,0,0,0|2,0,0]=3 1941 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,0,0,0,0,0|2,0,0]=3 1942 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [1,0,0,0,0,0|3,0,0]=4 1943 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [1,0,0,0,0,0|3,0,0]=4 1944 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [1,0,0,0,0,0|3,0,0]=4 1945 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [1,0,0,0,0,0|3,0,0]=4 1946 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [1,0,0,0,0,0|3,0,0]=4 1947 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [1,0,0,0,0,0|3,0,0]=4 1948 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [1,0,0,0,0,0|3,0,0]=4 1949 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [1,0,0,0,0,0|3,0,0]=4 1950 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [1,0,0,0,0,0|3,0,0]=4 1951 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [1,0,0,0,0,0|3,0,0]=4 1952 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [1,0,0,0,0,0|3,0,0]=4 1953 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,0,0,0,0,0|2,0,0]=3 1954 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,0,0,0,0,0|2,0,0]=3 1955 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,0,0,0,0,0|2,0,0]=3 1956 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [1,0,0,0,0,0|3,0,0]=4 1957 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [1,0,0,0,0,0|3,0,0]=4 1958 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [1,0,0,0,0,0|3,0,0]=4 1959 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [1,0,0,0,0,0|3,0,0]=4 1960 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [1,0,0,0,0,0|3,0,0]=4 1961 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [1,0,0,0,0,0|3,0,0]=4 1962 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [1,0,0,0,0,0|3,0,0]=4 1963 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [1,0,0,0,0,0|3,0,0]=4 1964 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [1,0,0,0,0,0|3,0,0]=4 1965 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [1,0,0,0,0,0|3,0,0]=4 1966 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [1,0,0,0,0,0|3,0,0]=4 1967 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,0,0,0,0,0|2,0,0]=3 1968 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,0,0,0,0,0|3,0,0]=4 1969 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [1,0,0,0,0,0|3,0,0]=4 1970 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [1,0,0,0,0,0|3,0,0]=4 1971 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [1,0,0,0,0,0|3,0,0]=4 1972 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [1,0,0,0,0,0|3,0,0]=4 1973 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [1,0,0,0,0,0|3,0,0]=4 1974 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [1,0,0,0,0,0|3,0,0]=4 1975 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [1,0,0,0,0,0|3,0,0]=4 1976 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [1,0,0,0,0,0|2,0,0]=3 1977 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [1,0,0,0,0,0|3,0,0]=4 1978 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [1,0,0,0,0,0|3,0,0]=4 1979 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [1,0,0,0,0,0|3,0,0]=4 1980 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [1,0,0,0,0,0|3,0,0]=4 1981 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [1,0,0,0,0,0|2,0,0]=3 1982 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [1,0,0,0,0,0|3,0,0]=4 1983 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,0,0,0,0,0|2,0,0]=3 1984 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,0,0,0,0,0|3,0,0]=4 1985 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [1,0,0,0,0,0|3,0,0]=4 1986 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [1,0,0,0,0,0|3,0,0]=4 1987 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,0,0,0,0,0|2,0,0]=3 1988 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,0,0,0,0,0|2,0,0]=3 1989 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,0,0,0,0,0|2,0,0]=3 1990 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,0,0,0,0,0|2,0,0]=3 1991 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,0,0,0,0,0|2,0,0]=3 1992 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,0,0,0,0,0|2,0,0]=3 1993 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [1,0,0,0,0,0|3,0,0]=4 1994 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [1,0,0,0,0,0|3,0,0]=4 1995 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [1,0,0,0,0,0|3,0,0]=4 1996 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [1,0,0,0,0,0|3,0,0]=4 1997 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [1,0,0,0,0,0|3,0,0]=4 1998 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [1,0,0,0,0,0|3,0,0]=4 1999 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [1,0,0,0,0,0|3,0,0]=4 2000 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [1,0,0,0,0,0|3,0,0]=4 2001 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [1,0,0,0,0,0|3,0,0]=4 2002 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,0,0,0,0,0|1,0,0]=2 2003 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [1,0,0,0,0,0|2,0,0]=3 2004 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [1,0,0,0,0,0|2,0,0]=3 2005 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [1,0,0,0,0,0|2,0,1]=4 2006 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [1,0,0,0,0,0|2,0,1]=4 2007 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [1,0,0,0,0,0|2,0,1]=4 2008 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [1,0,0,0,0,0|3,0,0]=4 2009 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [1,0,0,0,0,0|3,0,0]=4 2010 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [1,0,0,0,0,0|3,0,0]=4 2011 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [1,0,0,0,0,0|3,0,0]=4 2012 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [1,0,0,0,0,0|3,0,0]=4 2013 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [1,0,0,0,0,0|3,0,0]=4 2014 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 2015 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 2016 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 2017 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 2018 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [1,0,0,0,0,0|3,0,0]=4 2019 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [1,0,0,0,0,0|3,0,0]=4 2020 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [1,0,0,0,0,0|3,0,0]=4 2021 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [1,0,0,0,0,0|3,0,0]=4 2022 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [1,0,0,0,0,0|3,0,0]=4 2023 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [1,0,0,0,0,0|3,0,0]=4 2024 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [1,0,0,0,0,0|3,0,0]=4 2025 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [1,0,0,0,0,0|3,0,0]=4 2026 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [1,0,0,0,0,0|2,0,0]=3 2027 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [1,0,0,0,0,0|2,0,0]=3 2028 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [1,0,0,0,0,0|2,0,1]=4 2029 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [1,0,0,0,0,0|2,0,1]=4 2030 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [1,0,0,0,0,0|2,0,1]=4 2031 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [1,0,0,0,0,0|3,0,0]=4 2032 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [1,0,0,0,0,0|3,0,0]=4 2033 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [1,0,0,0,0,0|3,0,0]=4 2034 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [1,0,0,0,0,0|3,0,0]=4 2035 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [1,0,0,0,0,0|3,0,0]=4 2036 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [1,0,0,0,0,0|3,0,0]=4 2037 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [1,0,0,0,0,0|3,0,0]=4 2038 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [1,0,0,0,0,0|3,0,0]=4 2039 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [1,0,0,0,0,0|3,0,0]=4 2040 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [1,0,0,0,0,0|3,0,0]=4 2041 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [1,0,0,0,0,0|3,0,0]=4 2042 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [1,0,0,0,0,0|3,0,0]=4 2043 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [1,0,0,0,0,0|3,0,0]=4 2044 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [1,0,0,0,0,0|3,0,0]=4 2045 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [1,0,0,0,0,0|3,0,0]=4 2046 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [1,0,0,0,0,0|3,0,0]=4 2047 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [1,0,0,0,0,0|3,0,0]=4 2048 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [1,0,0,0,0,0|3,0,0]=4 2049 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [1,0,0,0,0,0|3,0,0]=4 2050 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [1,0,0,0,0,0|3,0,0]=4 2051 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [1,0,0,0,0,0|3,0,0]=4 2052 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [1,0,0,0,0,0|3,0,0]=4 2053 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [1,0,0,0,0,0|3,0,0]=4 2054 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [1,0,0,0,0,0|3,0,0]=4 2055 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [1,0,0,0,0,0|3,0,0]=4 2056 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [1,0,0,0,0,0|3,0,0]=4 2057 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [1,0,0,0,0,0|3,0,0]=4 2058 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [1,0,0,0,0,0|3,0,0]=4 2059 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [1,0,0,0,0,0|3,0,0]=4 2060 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [1,0,0,0,0,0|3,0,0]=4 2061 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [1,0,0,0,0,0|3,0,0]=4 2062 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [1,0,0,0,0,0|3,0,0]=4 2063 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [1,0,0,0,0,0|3,0,0]=4 2064 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [1,0,0,0,0,0|3,0,0]=4 2065 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [1,0,0,0,0,0|3,0,0]=4 2066 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [1,0,0,0,0,0|3,0,0]=4 2067 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [1,0,0,0,0,0|3,0,0]=4 2068 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [1,0,0,0,0,0|3,0,0]=4 2069 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [1,0,0,0,0,0|3,0,0]=4 2070 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [1,0,0,0,0,0|3,0,0]=4 2071 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [1,0,0,0,0,0|3,0,0]=4 2072 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [1,0,0,0,0,0|3,0,0]=4 2073 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [1,0,0,0,0,0|3,0,0]=4 2074 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [1,0,0,0,0,0|3,0,0]=4 2075 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [1,0,0,0,0,0|3,0,0]=4 2076 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [1,0,0,0,0,0|3,0,0]=4 2077 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [1,0,0,0,0,0|3,0,0]=4 2078 B11R0.2 C#CCCCCC(=O)CC(C)C 1458a_100000210554_100010269958 [0,1,0,0,0,0|1,0,2]=4 2079 B11R0.2 C#CCCCCC(=O)CC(C)C 1458a_100000696528_100000210624 [0,1,0,0,0,0|1,0,2]=4 2080 B11R0.2 C#CCCCCC(=O)CC(C)O 1458a_100000696528_100011218427 [0,1,0,0,0,0|1,0,2]=4 2081 B11R0.2 C#CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100010269958 [0,1,0,0,0,0|1,0,2]=4 2082 B11R0.2 C#CCCCNC(=O)CC(C)C 11a_100000718082_100000210554 [0,1,0,0,0,0|1,0,2]=4 2083 B11R0.2 C#CCCCNC(=O)CC(C)C 1626a_100000718082_100000210554 [0,1,0,0,0,0|1,0,2]=4 2084 B11R0.2 C#CCCCNC(=O)CC(C)C 240690a_100000718082_100000210554 [0,1,0,0,0,0|1,0,2]=4 2085 B11R0.2 C#CCCCNC(=O)CC(C)C 527a_100000718082_100000210554 [0,1,0,0,0,0|1,0,2]=4 2086 B11R0.2 C#CCCCNC(=O)C[C@@H](C)O 240690a_100000718082_100011933948 [0,1,0,0,0,0|1,0,2]=4 2087 B11R0.2 C=C(C)CC(=O)C=CCCCC 1458a_100016266645_100000748629 [0,1,0,0,0,0|1,0,2]=4 2088 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [0,1,0,0,0,0|1,0,1]=3 2089 B11R0.2 C=C(C)CC(=O)CCCCCO 1458a_100102619762_100000748629 [0,1,0,0,0,0|2,0,1]=4 2090 B11R0.2 C=C(C)CC(=O)COCCCC 1458a_100000757543_100000748629 [0,1,0,0,0,0|2,0,1]=4 2091 B11R0.2 C=C(C)CC(=O)CSCCCC 1458a_100000191162_100000748629 [0,1,0,0,0,0|2,0,1]=4 2092 B11R0.2 C=C(F)CC(=O)CCCCCC 1458a_100102632555_100009893438 [0,1,0,0,0,0|1,0,2]=4 2093 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100000210554_100011215482 [0,1,0,0,0,0|1,0,2]=4 2094 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100011215552_100000210624 [0,1,0,0,0,0|1,0,2]=4 2095 B11R0.2 C=CCCCCC(=O)CC(C)O 1458a_100011215552_100011218427 [0,1,0,0,0,0|1,0,2]=4 2096 B11R0.2 C=CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215482 [0,1,0,0,0,0|1,0,2]=4 2097 B11R0.2 C=CCCCNC(=O)CC(C)C 11a_100000700776_100000210554 [0,1,0,0,0,0|1,0,2]=4 2098 B11R0.2 C=CCCCNC(=O)CC(C)C 1626a_100000700776_100000210554 [0,1,0,0,0,0|1,0,2]=4 2099 B11R0.2 C=CCCCNC(=O)CC(C)C 240690a_100000700776_100000210554 [0,1,0,0,0,0|1,0,2]=4 2100 B11R0.2 C=CCCCNC(=O)CC(C)C 527a_100000700776_100000210554 [0,1,0,0,0,0|1,0,2]=4 2101 B11R0.2 C=CCCCNC(=O)C[C@@H](C)O 240690a_100000700776_100011933948 [0,1,0,0,0,0|1,0,2]=4 2102 B11R0.2 CC(=O)CC(=O)OCCSCF 62a_100000102702_100015361967 [0,1,0,0,0,0|2,0,1]=4 2103 B11R0.2 CC(=O)CC(=O)OCCSCF 62a_100015361967_100000102702 [0,1,0,0,0,0|2,0,1]=4 2104 B11R0.2 CC(C)CC(=O)CCCCC#N 1458a_100000210554_100000211819 [0,1,0,0,0,0|2,0,1]=4 2105 B11R0.2 CC(C)CC(=O)CCCCCF 1458a_100000210554_100000729378 [0,1,0,0,0,0|2,0,0]=3 2106 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100000210554_100000746330 [0,1,0,0,0,0|2,0,0]=3 2107 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100102619762_100000210624 [0,1,0,0,0,0|2,0,0]=3 2108 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100000210554_100011215305 [0,1,0,0,0,0|3,0,0]=4 2109 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100011229844_100000210624 [0,1,0,0,0,0|3,0,0]=4 2110 B11R0.2 CC(C)CC(=O)NCCCCO 240690a_100000750430_100000210554 [0,1,0,0,0,0|2,0,0]=3 2111 B11R0.2 CC(C)CC(=O)NCCCCO 527a_100000750430_100000210554 [0,1,0,0,0,0|2,0,0]=3 2112 B11R0.2 CC(C)CC(C)OCCCCBr 34a_100011216708_100000731052 [0,1,0,0,0,0|2,0,1]=4 2113 B11R0.2 CC(C)CC(C)OCCCCCl 34a_100000210776_100000731052 [0,1,0,0,0,0|2,0,1]=4 2114 B11R0.2 CC(C)CC(C)OCCCCCl 7a_100000210776_100000731052 [0,1,0,0,0,0|2,0,1]=4 2115 B11R0.2 CC(C)CC(C)OCCCCF 34a_100000211805_100000729493 [0,1,0,0,0,0|2,0,1]=4 2116 B11R0.2 CC(C)CC(C)OCCCCF 34a_100011995726_100000731052 [0,1,0,0,0,0|2,0,1]=4 2117 B11R0.2 CC(C)CC(C)OCCCCF 7a_100000211805_100000729493 [0,1,0,0,0,0|2,0,1]=4 2118 B11R0.2 CC(C)CC(C)OCCCCF 7a_100011995726_100000731052 [0,1,0,0,0,0|2,0,1]=4 2119 B11R0.2 CC(C)CC(C)OCCCCI 34a_200012148704_100000731052 [0,1,0,0,0,0|2,0,1]=4 2120 B11R0.2 CC(C)CC(C)OCCCCN 34a_100000750430_100000731052 [0,1,0,0,0,0|2,0,1]=4 2121 B11R0.2 CC(C)CC(C)OCCCCO 34a_100000211805_100011216708 [0,1,0,0,0,0|2,0,1]=4 2122 B11R0.2 CC(C)CC(C)OCCCCO 7a_100000211805_100000210776 [0,1,0,0,0,0|2,0,1]=4 2123 B11R0.2 CC(C)NC(=O)CCCCCO 240690a_100138425928_100102619762 [0,1,0,0,0,0|3,0,0]=4 2124 B11R0.2 CC(C)NC(=O)NCCCCO 2708a_100000750430_100138425928 [0,1,0,0,0,0|3,0,0]=4 2125 B11R0.2 CC(C)NC(=O)NCCCCO 2708a_100138425928_100000750430 [0,1,0,0,0,0|3,0,0]=4 2126 B11R0.2 CC(C)NC(=O)NCCCCO 273464a_100138425928_100000750430 [0,1,0,0,0,0|3,0,0]=4 2127 B11R0.2 CC(C)NC(=O)NCCCCO 512a_100000750430_100138425928 [0,1,0,0,0,0|3,0,0]=4 2128 B11R0.2 CC(C)NC(=O)NCCCCO 512a_100138425928_100000750430 [0,1,0,0,0,0|3,0,0]=4 2129 B11R0.2 CC(C)OC(=O)OCSCCF 62a_100000003507_100011217306 [0,1,0,0,0,0|3,0,0]=4 2130 B11R0.2 CC(C)OC(=O)OCSCCF 62a_100011217306_100000003507 [0,1,0,0,0,0|3,0,0]=4 2131 B11R0.2 CC(C)OC(=O)OCSCCO 62a_100000003507_100000211926 [0,1,0,0,0,0|3,0,0]=4 2132 B11R0.2 CC(C)OC(=O)OCSCCO 62a_100000211926_100000003507 [0,1,0,0,0,0|3,0,0]=4 2133 B11R0.2 CC(O)CC(=O)CCCCCO 1458a_100102619762_100011218427 [0,1,0,0,0,0|2,0,0]=3 2134 B11R0.2 CC(O)CC(=O)CCOCCO 1458a_100011229844_100011218427 [0,1,0,0,0,0|3,0,0]=4 2135 B11R0.2 CC/C=C\CCC(=O)CC(C)C 1458a_100000210554_100015370543 [0,1,0,0,0,0|1,0,2]=4 2136 B11R0.2 CC/C=C\CCC(=O)C[C@@H](C)O 1458a_100011933948_100015370543 [0,1,0,0,0,0|1,0,2]=4 2137 B11R0.2 CCC/C=C/CC(=O)CC(C)C 1458a_200016266809_100000210624 [0,1,0,0,0,0|1,0,2]=4 2138 B11R0.2 CCC/C=C/CC(=O)CC(C)O 1458a_200016266809_100011218427 [0,1,0,0,0,0|1,0,2]=4 2139 B11R0.2 CCCC=NNC(=O)CC(C)C 4a_100000189787_100000185831 [0,1,0,0,0,0|2,0,1]=4 2140 B11R0.2 CCCCC=CC(=O)CC(C)C 1458a_100016266645_100000210624 [0,1,0,0,0,0|1,0,1]=3 2141 B11R0.2 CCCCC=CC(=O)CC(C)O 1458a_100016266645_100011218427 [0,1,0,0,0,0|1,0,1]=3 2142 B11R0.2 CCCCC=CC(=O)CC(F)F 1458a_100016266645_100011934356 [0,1,0,0,0,0|2,0,1]=4 2143 B11R0.2 CCCCC=CC(=O)NC(C)C 11a_100138425928_100016266645 [0,1,0,0,0,0|2,0,1]=4 2144 B11R0.2 CCCCC=CC(=O)NC(C)C 1626a_100138425928_100016266645 [0,1,0,0,0,0|2,0,1]=4 2145 B11R0.2 CCCCC=CC(=O)NC(C)C 240690a_100138425928_100016266645 [0,1,0,0,0,0|2,0,1]=4 2146 B11R0.2 CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210757 [0,1,0,0,0,0|1,0,2]=4 2147 B11R0.2 CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210757 [0,1,0,0,0,0|1,0,2]=4 2148 B11R0.2 CCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210757 [0,1,0,0,0,0|1,0,2]=4 2149 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [0,1,0,0,0,0|2,0,1]=4 2150 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [0,1,0,0,0,0|2,0,1]=4 2151 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [0,1,0,0,0,0|2,0,1]=4 2152 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [0,1,0,0,0,0|1,0,0]=2 2153 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [0,1,0,0,0,0|1,0,0]=2 2154 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,1,0,0,0,0|1,0,0]=2 2155 B11R0.2 CCCCCCC(=O)CC(F)F 1458a_100102632555_100011934356 [0,1,0,0,0,0|2,0,0]=3 2156 B11R0.2 CCCCCCC(=O)CN(C)C 1458a_100000750896_100000210757 [0,1,0,0,0,0|2,0,0]=3 2157 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,1,0,0,0,0|1,0,0]=2 2158 B11R0.2 CCCCCCC(=O)C[N+](=O)[O-] 1458a_100102632555_100000761209 [0,1,0,0,0,0|3,0,0]=4 2159 B11R0.2 CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210757 [0,1,0,0,0,0|2,0,0]=3 2160 B11R0.2 CCCCCCC(=O)NC(C)C 11a_100138425928_100102632555 [0,1,0,0,0,0|2,0,0]=3 2161 B11R0.2 CCCCCCC(=O)NC(C)C 1626a_100138425928_100102632555 [0,1,0,0,0,0|2,0,0]=3 2162 B11R0.2 CCCCCCC(=O)NC(C)C 240690a_100138425928_100102632555 [0,1,0,0,0,0|2,0,0]=3 2163 B11R0.2 CCCCCCC(=O)NC(C)C 527a_100138425928_100102632555 [0,1,0,0,0,0|2,0,0]=3 2164 B11R0.2 CCCCCCN(C)CC(C)C 2230a_100000747067_100000210314 [0,1,0,0,0,0|3,0,0]=4 2165 B11R0.2 CCCCCCN(C)CC(C)C 2230a_106256046315_100000210760 [0,1,0,0,0,0|3,0,0]=4 2166 B11R0.2 CCCCCCN(C)CC(C)C 269982a_100000747067_100000210757 [0,1,0,0,0,0|3,0,0]=4 2167 B11R0.2 CCCCCCN(C)CC(C)C 269982a_106256046315_100000210624 [0,1,0,0,0,0|3,0,0]=4 2168 B11R0.2 CCCCCCN(C)CC(C)C 270004a_106256046315_100000210432 [0,1,0,0,0,0|3,0,0]=4 2169 B11R0.2 CCCCCCN(C)CC(C)O 2230a_100000227577_100000210314 [0,1,0,0,0,0|3,0,0]=4 2170 B11R0.2 CCCCCCN(C)CC(C)O 2230a_106256046315_100011218427 [0,1,0,0,0,0|3,0,0]=4 2171 B11R0.2 CCCCCCN(C)CC(C)O 269982a_100000227577_100000210757 [0,1,0,0,0,0|3,0,0]=4 2172 B11R0.2 CCCCCCN(C)CC(C)O 269982a_106256046315_100011218427 [0,1,0,0,0,0|3,0,0]=4 2173 B11R0.2 CCCCCCN(C)C[C@@H](C)O 2230a_106256046315_100009817552 [0,1,0,0,0,0|3,0,0]=4 2174 B11R0.2 CCCCCCN(C)C[C@@H](C)O 269982a_106256046315_100009817552 [0,1,0,0,0,0|3,0,0]=4 2175 B11R0.2 CCCCCNC(=O)C=C(C)C 11a_100000209983_100000211388 [0,1,0,0,0,0|1,0,2]=4 2176 B11R0.2 CCCCCNC(=O)C=C(C)C 1626a_100000209983_100000211388 [0,1,0,0,0,0|1,0,2]=4 2177 B11R0.2 CCCCCNC(=O)C=C(C)C 240690a_100000209983_100000211388 [0,1,0,0,0,0|1,0,2]=4 2178 B11R0.2 CCCCCNC(=O)C=C(C)Cl 11a_100000209983_200042562850 [0,1,0,0,0,0|1,0,2]=4 2179 B11R0.2 CCCCCNC(=O)C=C(C)Cl 1626a_100000209983_200042562850 [0,1,0,0,0,0|1,0,2]=4 2180 B11R0.2 CCCCCNC(=O)C=C(C)Cl 240690a_100000209983_200042562850 [0,1,0,0,0,0|1,0,2]=4 2181 B11R0.2 CCCCCNC(=O)C=C(C)I 11a_100000209983_100025716642 [0,1,0,0,0,0|1,0,2]=4 2182 B11R0.2 CCCCCNC(=O)C=C(C)I 1626a_100000209983_100025716642 [0,1,0,0,0,0|1,0,2]=4 2183 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [0,1,0,0,0,0|1,0,1]=3 2184 B11R0.2 CCCCCNC(=O)CC(=O)N 240690a_100000209983_100134613110 [0,1,0,0,0,0|2,0,1]=4 2185 B11R0.2 CCCCCNC(=O)CC(=O)N 527a_100000209983_100134613110 [0,1,0,0,0,0|2,0,1]=4 2186 B11R0.2 CCCCCNC(=O)CC(C)C 11a_100000209983_100000210554 [0,1,0,0,0,0|1,0,0]=2 2187 B11R0.2 CCCCCNC(=O)CC(C)C 1626a_100000209983_100000210554 [0,1,0,0,0,0|1,0,0]=2 2188 B11R0.2 CCCCCNC(=O)CC(C)C 240690a_100000209983_100000210554 [0,1,0,0,0,0|1,0,0]=2 2189 B11R0.2 CCCCCNC(=O)CC(C)C 527a_100000209983_100000210554 [0,1,0,0,0,0|1,0,0]=2 2190 B11R0.2 CCCCCNC(=O)CN(C)C 11a_100000209983_100000750896 [0,1,0,0,0,0|2,0,0]=3 2191 B11R0.2 CCCCCNC(=O)CN(C)C 2230a_100102631434_100000230301 [0,1,0,0,0,0|2,0,0]=3 2192 B11R0.2 CCCCCNC(=O)CN(C)C 240690a_100000209983_100000750896 [0,1,0,0,0,0|2,0,0]=3 2193 B11R0.2 CCCCCNC(=O)CN(C)C 269982a_100102631434_100000230301 [0,1,0,0,0,0|2,0,0]=3 2194 B11R0.2 CCCCCNC(=O)CN(C)C 527a_100000209983_100000750896 [0,1,0,0,0,0|2,0,0]=3 2195 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [0,1,0,0,0,0|1,0,0]=2 2196 B11R0.2 CCCCCNC(=O)C[S+](C)C 11a_100000209983_200159257847 [0,1,0,0,0,0|2,0,0]=3 2197 B11R0.2 CCCCCNC(=O)C[S+](C)C 1626a_100000209983_200159257847 [0,1,0,0,0,0|2,0,0]=3 2198 B11R0.2 CCCCCNC(=O)C[S+](C)C 240690a_100000209983_200159257847 [0,1,0,0,0,0|2,0,0]=3 2199 B11R0.2 CCCCCNC(=O)C[S+](C)C 527a_100000209983_200159257847 [0,1,0,0,0,0|2,0,0]=3 2200 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100000209983_100138425928 [0,1,0,0,0,0|2,0,0]=3 2201 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100138425928_100000209983 [0,1,0,0,0,0|2,0,0]=3 2202 B11R0.2 CCCCCNC(=O)NC(C)C 273464a_100138425928_100000209983 [0,1,0,0,0,0|2,0,0]=3 2203 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100000209983_100138425928 [0,1,0,0,0,0|2,0,0]=3 2204 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100138425928_100000209983 [0,1,0,0,0,0|2,0,0]=3 2205 B11R0.2 CCCCCNC(C)CC(C)C 2230a_100000209983_100000731052 [0,1,0,0,0,0|2,0,1]=4 2206 B11R0.2 CCCCCNC(C)CC(C)C 2230a_100000692259_100000210326 [0,1,0,0,0,0|2,0,1]=4 2207 B11R0.2 CCCCCOC(C)CC(C)C 34a_100000210253_100000731052 [0,1,0,0,0,0|1,0,1]=3 2208 B11R0.2 CCCCCOC(C)CC(C)C 34a_100000211805_100000718602 [0,1,0,0,0,0|1,0,1]=3 2209 B11R0.2 CCCCCOC(C)CC(C)C 7a_100000210253_100000731052 [0,1,0,0,0,0|1,0,1]=3 2210 B11R0.2 CCCCCOC(C)CC(C)C 7a_100000211805_100000210326 [0,1,0,0,0,0|1,0,1]=3 2211 B11R0.2 CCCCCSC(C)CC(C)C 62a_100000210326_100000731052 [0,1,0,0,0,0|1,1,1]=4 2212 B11R0.2 CCCCCSC(C)CC(C)C 62a_100000731052_100000210326 [0,1,0,0,0,0|1,1,1]=4 2213 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000102301_100000183996 [0,1,0,0,0,0|3,0,0]=4 2214 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000168517_100000210211 [0,1,0,0,0,0|3,0,0]=4 2215 B11R0.2 CCCCNCC(=O)NC(C)C 7a_106832991798_100000183996 [0,1,0,0,0,0|3,0,0]=4 2216 B11R0.2 CCCCNCC(=O)OC(C)C 2230a_100000102301_100011215430 [0,1,0,0,0,0|3,0,0]=4 2217 B11R0.2 CCCCNCC(=O)OC(C)C 7a_106832991798_100011215430 [0,1,0,0,0,0|3,0,0]=4 2218 B11R0.2 CCCCNNC(=O)CC(C)C 22a_100025702795_100000210554 [0,1,0,0,0,0|2,0,0]=3 2219 B11R0.2 CCCCNNC(=O)CN(C)C 22a_100025702795_100000750896 [0,1,0,0,0,0|3,0,0]=4 2220 B11R0.2 CCCCNNC(=O)C[C@@H](C)O 22a_100025702795_100011933948 [0,1,0,0,0,0|2,0,0]=3 2221 B11R0.2 CCCCNNC(=O)C[S+](C)C 22a_100025702795_200159257847 [0,1,0,0,0,0|3,0,0]=4 2222 B11R0.2 CCCCNNC(=O)NC(C)C 273464a_100138425928_100025702795 [0,1,0,0,0,0|3,0,0]=4 2223 B11R0.2 CCCCNNC(=O)NC(C)C 512a_100025702795_100138425928 [0,1,0,0,0,0|3,0,0]=4 2224 B11R0.2 CCCCNNC(=O)NC(C)C 512a_100138425928_100025702795 [0,1,0,0,0,0|3,0,0]=4 2225 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000210554_100011995733 [0,1,0,0,0,0|2,0,0]=3 2226 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000757543_100000210624 [0,1,0,0,0,0|2,0,0]=3 2227 B11R0.2 CCCCOCC(=O)CC(C)O 1458a_100000757543_100011218427 [0,1,0,0,0,0|2,0,0]=3 2228 B11R0.2 CCCCOCC(=O)CC(F)F 1458a_100000757543_100011934356 [0,1,0,0,0,0|3,0,0]=4 2229 B11R0.2 CCCCOCC(=O)CN(C)C 1458a_100000750896_100011995733 [0,1,0,0,0,0|3,0,0]=4 2230 B11R0.2 CCCCOCC(=O)C[C@@H](C)O 1458a_100011933948_100011995733 [0,1,0,0,0,0|2,0,0]=3 2231 B11R0.2 CCCCOCC(=O)C[S+](C)C 1458a_200159257847_100011995733 [0,1,0,0,0,0|3,0,0]=4 2232 B11R0.2 CCCCOCC(=O)NC(C)C 11a_100138425928_100000757543 [0,1,0,0,0,0|3,0,0]=4 2233 B11R0.2 CCCCOCC(=O)NC(C)C 1626a_100138425928_100000757543 [0,1,0,0,0,0|3,0,0]=4 2234 B11R0.2 CCCCOCC(=O)NC(C)C 240690a_100138425928_100000757543 [0,1,0,0,0,0|3,0,0]=4 2235 B11R0.2 CCCCOCC(=O)NC(C)C 34a_100000210227_100000183996 [0,1,0,0,0,0|3,0,0]=4 2236 B11R0.2 CCCCOCC(=O)NC(C)C 527a_100138425928_100000757543 [0,1,0,0,0,0|3,0,0]=4 2237 B11R0.2 CCCCOCC(=O)NC(C)C 7a_100000210227_100000183996 [0,1,0,0,0,0|3,0,0]=4 2238 B11R0.2 CCCCOCC(=O)OC(C)C 34a_100000210227_100011215430 [0,1,0,0,0,0|3,0,0]=4 2239 B11R0.2 CCCCOCC(=O)OC(C)C 7a_100000210227_100011215430 [0,1,0,0,0,0|3,0,0]=4 2240 B11R0.2 CCCCSCC(=O)CC(C)C 1458a_100000191162_100000210624 [0,1,0,0,0,0|2,0,0]=3 2241 B11R0.2 CCCCSCC(=O)CC(C)O 1458a_100000191162_100011218427 [0,1,0,0,0,0|2,0,0]=3 2242 B11R0.2 CCCCSCC(=O)CC(F)F 1458a_100000191162_100011934356 [0,1,0,0,0,0|3,0,0]=4 2243 B11R0.2 CCCCSCC(=O)NC(C)C 11a_100138425928_100000191162 [0,1,0,0,0,0|3,0,0]=4 2244 B11R0.2 CCCCSCC(=O)NC(C)C 1626a_100138425928_100000191162 [0,1,0,0,0,0|3,0,0]=4 2245 B11R0.2 CCCCSCC(=O)NC(C)C 240690a_100138425928_100000191162 [0,1,0,0,0,0|3,0,0]=4 2246 B11R0.2 CCCCSCC(=O)NC(C)C 527a_100138425928_100000191162 [0,1,0,0,0,0|3,0,0]=4 2247 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000183996_100000210210 [0,1,0,0,0,0|3,0,0]=4 2248 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000210211_100000183996 [0,1,0,0,0,0|3,0,0]=4 2249 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100000210211_100011215430 [0,1,0,0,0,0|3,0,0]=4 2250 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100011215430_100000210210 [0,1,0,0,0,0|3,0,0]=4 2251 B11R0.2 CCCOCCC(=O)CC(C)C 1458a_100000210554_100011215938 [0,1,0,0,0,0|2,0,0]=3 2252 B11R0.2 CCCOCCC(=O)CN(C)C 1458a_100000750896_100011215938 [0,1,0,0,0,0|3,0,0]=4 2253 B11R0.2 CCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215938 [0,1,0,0,0,0|2,0,0]=3 2254 B11R0.2 CCCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215938 [0,1,0,0,0,0|3,0,0]=4 2255 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000210303_100000737564 [0,1,0,0,0,0|3,0,0]=4 2256 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000737564_100000210303 [0,1,0,0,0,0|3,0,0]=4 2257 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000210303_100000760027 [0,1,0,0,0,0|3,0,0]=4 2258 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000760027_100000210303 [0,1,0,0,0,0|3,0,0]=4 2259 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000003507_100000210303 [0,1,0,0,0,0|2,0,0]=3 2260 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000210303_100000003507 [0,1,0,0,0,0|2,0,0]=3 2261 B11R0.2 CCOCCCC(=O)CC(C)C 1458a_100000210554_100012232248 [0,1,0,0,0,0|2,0,0]=3 2262 B11R0.2 CCOCCCC(=O)CN(C)C 1458a_100000750896_100012232248 [0,1,0,0,0,0|3,0,0]=4 2263 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [0,1,0,0,0,0|2,0,0]=3 2264 B11R0.2 CCOCCCC(=O)C[S+](C)C 1458a_200159257847_100012232248 [0,1,0,0,0,0|3,0,0]=4 2265 B11R0.2 CCOCCNC(=O)CC(C)C 11a_100011200944_100000210554 [0,1,0,0,0,0|2,0,0]=3 2266 B11R0.2 CCOCCNC(=O)CC(C)C 1626a_102516460346_100000210554 [0,1,0,0,0,0|2,0,0]=3 2267 B11R0.2 CCOCCNC(=O)CC(C)C 240690a_100011200944_100000210554 [0,1,0,0,0,0|2,0,0]=3 2268 B11R0.2 CCOCCNC(=O)CC(C)C 527a_100011200944_100000210554 [0,1,0,0,0,0|2,0,0]=3 2269 B11R0.2 CCOCCNC(=O)CN(C)C 11a_100011200944_100000750896 [0,1,0,0,0,0|3,0,0]=4 2270 B11R0.2 CCOCCNC(=O)CN(C)C 240690a_100011200944_100000750896 [0,1,0,0,0,0|3,0,0]=4 2271 B11R0.2 CCOCCNC(=O)CN(C)C 527a_100011200944_100000750896 [0,1,0,0,0,0|3,0,0]=4 2272 B11R0.2 CCOCCNC(=O)C[C@@H](C)O 240690a_100011200944_100011933948 [0,1,0,0,0,0|2,0,0]=3 2273 B11R0.2 CCOCCNC(=O)C[S+](C)C 11a_100011200944_200159257847 [0,1,0,0,0,0|3,0,0]=4 2274 B11R0.2 CCOCCNC(=O)C[S+](C)C 1626a_102516460346_200159257847 [0,1,0,0,0,0|3,0,0]=4 2275 B11R0.2 CCOCCNC(=O)C[S+](C)C 240690a_100011200944_200159257847 [0,1,0,0,0,0|3,0,0]=4 2276 B11R0.2 CCOCCNC(=O)C[S+](C)C 527a_100011200944_200159257847 [0,1,0,0,0,0|3,0,0]=4 2277 B11R0.2 CCOCCNC(=O)NC(C)C 2708a_100011200944_100138425928 [0,1,0,0,0,0|3,0,0]=4 2278 B11R0.2 CCOCCNC(=O)NC(C)C 2708a_100138425928_100011200944 [0,1,0,0,0,0|3,0,0]=4 2279 B11R0.2 CCOCCNC(=O)NC(C)C 273464a_100138425928_102516460346 [0,1,0,0,0,0|3,0,0]=4 2280 B11R0.2 CCOCCNC(=O)NC(C)C 512a_100011200944_100138425928 [0,1,0,0,0,0|3,0,0]=4 2281 B11R0.2 CCOCCNC(=O)NC(C)C 512a_100138425928_100011200944 [0,1,0,0,0,0|3,0,0]=4 2282 B11R0.2 CCOCCOC(=O)CC(=O)C 1458a_100000070787_200000101388 [0,1,0,0,0,0|1,0,1]=3 2283 B11R0.2 CCOCCOC(=O)CC(=O)C 34a_100121572206_100000102702 [0,1,0,0,0,0|1,0,1]=3 2284 B11R0.2 CCOCCOC(=O)CN(C)C 2230a_100102631434_200000101388 [0,1,0,0,0,0|2,0,0]=3 2285 B11R0.2 CCOCCOC(=O)CN(C)C 269982a_100102631434_200000101388 [0,1,0,0,0,0|2,0,0]=3 2286 B11R0.2 CCOCCOC(C)CC(C)C 34a_100000210136_100000731052 [0,1,0,0,0,0|2,0,1]=4 2287 B11R0.2 CCOCCOC(C)CC(C)C 34a_100000211805_100000210147 [0,1,0,0,0,0|2,0,1]=4 2288 B11R0.2 CCOCCOC(C)CC(C)C 7a_100000210136_100000731052 [0,1,0,0,0,0|2,0,1]=4 2289 B11R0.2 CCOCCOC(C)CC(C)C 7a_100000211805_100011215890 [0,1,0,0,0,0|2,0,1]=4 2290 B11R0.2 CCSCCNC(=O)CC(C)C 11a_100000106463_100000210554 [0,1,0,0,0,0|2,0,0]=3 2291 B11R0.2 CCSCCNC(=O)CC(C)C 1626a_100000106463_100000210554 [0,1,0,0,0,0|2,0,0]=3 2292 B11R0.2 CCSCCNC(=O)CC(C)C 240690a_100000106463_100000210554 [0,1,0,0,0,0|2,0,0]=3 2293 B11R0.2 CCSCCNC(=O)CC(C)C 527a_100000106463_100000210554 [0,1,0,0,0,0|2,0,0]=3 2294 B11R0.2 CCSCCNC(=O)CN(C)C 11a_100000106463_100000750896 [0,1,0,0,0,0|3,0,0]=4 2295 B11R0.2 CCSCCNC(=O)CN(C)C 240690a_100000106463_100000750896 [0,1,0,0,0,0|3,0,0]=4 2296 B11R0.2 CCSCCNC(=O)CN(C)C 527a_100000106463_100000750896 [0,1,0,0,0,0|3,0,0]=4 2297 B11R0.2 CCSCCNC(=O)C[C@@H](C)O 240690a_100000106463_100011933948 [0,1,0,0,0,0|2,0,0]=3 2298 B11R0.2 CCSCCNC(=O)C[S+](C)C 11a_100000106463_200159257847 [0,1,0,0,0,0|3,0,0]=4 2299 B11R0.2 CCSCCNC(=O)C[S+](C)C 1626a_100000106463_200159257847 [0,1,0,0,0,0|3,0,0]=4 2300 B11R0.2 CCSCCNC(=O)C[S+](C)C 240690a_100000106463_200159257847 [0,1,0,0,0,0|3,0,0]=4 2301 B11R0.2 CCSCCNC(=O)C[S+](C)C 527a_100000106463_200159257847 [0,1,0,0,0,0|3,0,0]=4 2302 B11R0.2 CCSCCNC(=O)NC(C)C 2708a_100000106463_100138425928 [0,1,0,0,0,0|3,0,0]=4 2303 B11R0.2 CCSCCNC(=O)NC(C)C 2708a_100138425928_100000106463 [0,1,0,0,0,0|3,0,0]=4 2304 B11R0.2 CCSCCNC(=O)NC(C)C 273464a_100138425928_100000106463 [0,1,0,0,0,0|3,0,0]=4 2305 B11R0.2 CCSCCNC(=O)NC(C)C 512a_100000106463_100138425928 [0,1,0,0,0,0|3,0,0]=4 2306 B11R0.2 CCSCCNC(=O)NC(C)C 512a_100138425928_100000106463 [0,1,0,0,0,0|3,0,0]=4 2307 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000102702_100000210202 [0,1,0,0,0,0|1,0,1]=3 2308 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000210202_100000102702 [0,1,0,0,0,0|1,0,1]=3 2309 B11R0.2 CCSCCOC(C)CC(C)C 34a_100000211805_100000757381 [0,1,0,0,0,0|2,0,1]=4 2310 B11R0.2 CCSCCOC(C)CC(C)C 34a_100000212035_100000731052 [0,1,0,0,0,0|2,0,1]=4 2311 B11R0.2 CCSCCOC(C)CC(C)C 7a_100000211805_100000757381 [0,1,0,0,0,0|2,0,1]=4 2312 B11R0.2 CCSCCOC(C)CC(C)C 7a_100000212035_100000731052 [0,1,0,0,0,0|2,0,1]=4 2313 B11R0.2 CN(C)CC(=O)CCCCCF 1458a_100000750896_100000729378 [0,1,0,0,0,0|3,0,0]=4 2314 B11R0.2 CN(C)CC(=O)CCCCCO 1458a_100000750896_100000746330 [0,1,0,0,0,0|3,0,0]=4 2315 B11R0.2 CN(C)CC(=O)NCCCCO 240690a_100000750430_100000750896 [0,1,0,0,0,0|3,0,0]=4 2316 B11R0.2 CN(C)CC(=O)NCCCCO 527a_100000750430_100000750896 [0,1,0,0,0,0|3,0,0]=4 2317 B11R0.2 CNCCCOC(C)CC(C)C 34a_100000213112_100000731052 [0,1,0,0,0,0|2,0,1]=4 2318 B11R0.2 COCCCCC(=O)CC(C)C 1458a_100000210554_100000755781 [0,1,0,0,0,0|2,0,0]=3 2319 B11R0.2 COCCCCC(=O)CN(C)C 1458a_100000750896_100000755781 [0,1,0,0,0,0|3,0,0]=4 2320 B11R0.2 COCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000755781 [0,1,0,0,0,0|2,0,0]=3 2321 B11R0.2 COCCCCC(=O)C[S+](C)C 1458a_200159257847_100000755781 [0,1,0,0,0,0|3,0,0]=4 2322 B11R0.2 COCCCNC(=O)CC(=O)C 1458a_100000070787_100000183178 [0,1,0,0,0,0|2,0,1]=4 2323 B11R0.2 COCCCNC(=O)CC(C)C 1626a_100150723488_100000210554 [0,1,0,0,0,0|2,0,0]=3 2324 B11R0.2 COCCCNC(=O)CC(C)C 240690a_100150723488_100000210554 [0,1,0,0,0,0|2,0,0]=3 2325 B11R0.2 COCCCNC(=O)CC(C)C 527a_100150723488_100000210554 [0,1,0,0,0,0|2,0,0]=3 2326 B11R0.2 COCCCNC(=O)CN(C)C 2230a_100000168148_200000210301 [0,1,0,0,0,0|3,0,0]=4 2327 B11R0.2 COCCCNC(=O)CN(C)C 2230a_100102631434_100000183178 [0,1,0,0,0,0|3,0,0]=4 2328 B11R0.2 COCCCNC(=O)CN(C)C 240690a_100150723488_100000750896 [0,1,0,0,0,0|3,0,0]=4 2329 B11R0.2 COCCCNC(=O)CN(C)C 269982a_100000168148_200000210301 [0,1,0,0,0,0|3,0,0]=4 2330 B11R0.2 COCCCNC(=O)CN(C)C 269982a_100102631434_100000183178 [0,1,0,0,0,0|3,0,0]=4 2331 B11R0.2 COCCCNC(=O)CN(C)C 527a_100150723488_100000750896 [0,1,0,0,0,0|3,0,0]=4 2332 B11R0.2 COCCCNC(=O)CN(C)[13CH3] 2230a_100000168148_200025704644 [0,1,0,0,0,0|3,0,0]=4 2333 B11R0.2 COCCCNC(=O)CN(C)[13CH3] 269982a_100000168148_200025704644 [0,1,0,0,0,0|3,0,0]=4 2334 B11R0.2 COCCCNC(=O)C[C@@H](C)O 240690a_100150723488_100011933948 [0,1,0,0,0,0|2,0,0]=3 2335 B11R0.2 COCCCNC(=O)C[S+](C)C 1626a_100150723488_200159257847 [0,1,0,0,0,0|3,0,0]=4 2336 B11R0.2 COCCCNC(=O)C[S+](C)C 240690a_100150723488_200159257847 [0,1,0,0,0,0|3,0,0]=4 2337 B11R0.2 COCCCNC(=O)C[S+](C)C 527a_100150723488_200159257847 [0,1,0,0,0,0|3,0,0]=4 2338 B11R0.2 COCCCNC(=O)NC(C)C 2708a_100138425928_100150723488 [0,1,0,0,0,0|3,0,0]=4 2339 B11R0.2 COCCCNC(=O)NC(C)C 2708a_100150723488_100138425928 [0,1,0,0,0,0|3,0,0]=4 2340 B11R0.2 COCCCNC(=O)NC(C)C 273464a_100138425928_100150723488 [0,1,0,0,0,0|3,0,0]=4 2341 B11R0.2 COCCCNC(=O)NC(C)C 512a_100138425928_100150723488 [0,1,0,0,0,0|3,0,0]=4 2342 B11R0.2 COCCCOC(C)CC(C)C 34a_100000211805_100000740836 [0,1,0,0,0,0|2,0,1]=4 2343 B11R0.2 COCCCOC(C)CC(C)C 34a_100000740835_100000731052 [0,1,0,0,0,0|2,0,1]=4 2344 B11R0.2 COCCCOC(C)CC(C)C 7a_100000211805_100000740836 [0,1,0,0,0,0|2,0,1]=4 2345 B11R0.2 COCCNNC(=O)CC(C)C 22a_100000741390_100000210554 [0,1,0,0,0,0|3,0,0]=4 2346 B11R0.2 COCCNNC(=O)C[C@@H](C)O 22a_100000741390_100011933948 [0,1,0,0,0,0|3,0,0]=4 2347 B11R0.2 COCCOCC(=O)CC(C)C 1458a_100000211095_100000210624 [0,1,0,0,0,0|3,0,0]=4 2348 B11R0.2 COCCOCC(=O)CC(C)O 1458a_100000211095_100011218427 [0,1,0,0,0,0|3,0,0]=4 2349 B11R0.2 COCSCOC(=O)OC(C)C 62a_100000003507_100000766300 [0,1,0,0,0,0|3,0,0]=4 2350 B11R0.2 COCSCOC(=O)OC(C)C 62a_100000766300_100000003507 [0,1,0,0,0,0|3,0,0]=4 2351 B11R0.2 CSCCCNC(=O)CC(C)C 11a_100000749238_100000210554 [0,1,0,0,0,0|2,0,0]=3 2352 B11R0.2 CSCCCNC(=O)CC(C)C 1626a_100000749238_100000210554 [0,1,0,0,0,0|2,0,0]=3 2353 B11R0.2 CSCCCNC(=O)CC(C)C 240690a_100000749238_100000210554 [0,1,0,0,0,0|2,0,0]=3 2354 B11R0.2 CSCCCNC(=O)CC(C)C 527a_100000749238_100000210554 [0,1,0,0,0,0|2,0,0]=3 2355 B11R0.2 CSCCCNC(=O)CN(C)C 11a_100000749238_100000750896 [0,1,0,0,0,0|3,0,0]=4 2356 B11R0.2 CSCCCNC(=O)CN(C)C 240690a_100000749238_100000750896 [0,1,0,0,0,0|3,0,0]=4 2357 B11R0.2 CSCCCNC(=O)CN(C)C 527a_100000749238_100000750896 [0,1,0,0,0,0|3,0,0]=4 2358 B11R0.2 CSCCCNC(=O)C[C@@H](C)O 240690a_100000749238_100011933948 [0,1,0,0,0,0|2,0,0]=3 2359 B11R0.2 CSCCCNC(=O)C[S+](C)C 11a_100000749238_200159257847 [0,1,0,0,0,0|3,0,0]=4 2360 B11R0.2 CSCCCNC(=O)C[S+](C)C 1626a_100000749238_200159257847 [0,1,0,0,0,0|3,0,0]=4 2361 B11R0.2 CSCCCNC(=O)C[S+](C)C 240690a_100000749238_200159257847 [0,1,0,0,0,0|3,0,0]=4 2362 B11R0.2 CSCCCNC(=O)C[S+](C)C 527a_100000749238_200159257847 [0,1,0,0,0,0|3,0,0]=4 2363 B11R0.2 CSCCCNC(=O)NC(C)C 2708a_100000749238_100138425928 [0,1,0,0,0,0|3,0,0]=4 2364 B11R0.2 CSCCCNC(=O)NC(C)C 2708a_100138425928_100000749238 [0,1,0,0,0,0|3,0,0]=4 2365 B11R0.2 CSCCCNC(=O)NC(C)C 273464a_100138425928_100000749238 [0,1,0,0,0,0|3,0,0]=4 2366 B11R0.2 CSCCCNC(=O)NC(C)C 512a_100000749238_100138425928 [0,1,0,0,0,0|3,0,0]=4 2367 B11R0.2 CSCCCNC(=O)NC(C)C 512a_100138425928_100000749238 [0,1,0,0,0,0|3,0,0]=4 2368 B11R0.2 CSCCCOC(C)CC(C)C 34a_100000690336_100000731052 [0,1,0,0,0,0|2,0,1]=4 2369 B11R0.2 CSCCCOC(C)CC(C)C 7a_100000690336_100000731052 [0,1,0,0,0,0|2,0,1]=4 2370 B11R0.2 CSCSCOC(=O)OC(C)C 62a_100000003507_100011218213 [0,1,0,0,0,0|3,0,0]=4 2371 B11R0.2 CSCSCOC(=O)OC(C)C 62a_100011218213_100000003507 [0,1,0,0,0,0|3,0,0]=4 2372 B11R0.2 C[C@@H](O)CC(=O)CCCCC#N 1458a_100011933948_100000211819 [0,1,0,0,0,0|2,0,1]=4 2373 B11R0.2 C[C@@H](O)CC(=O)CCCCCF 1458a_100011933948_100000729378 [0,1,0,0,0,0|2,0,0]=3 2374 B11R0.2 C[C@@H](O)CC(=O)CCCCCO 1458a_100011933948_100000746330 [0,1,0,0,0,0|2,0,0]=3 2375 B11R0.2 C[C@@H](O)CC(=O)CCOCCO 1458a_100011933948_100011215305 [0,1,0,0,0,0|3,0,0]=4 2376 B11R0.2 C[C@@H](O)CC(=O)NCCCCO 240690a_100000750430_100011933948 [0,1,0,0,0,0|2,0,0]=3 2377 B11R0.2 C[S+](C)CC(=O)CCCCCF 1458a_200159257847_100000729378 [0,1,0,0,0,0|3,0,0]=4 2378 B11R0.2 C[S+](C)CC(=O)CCCCCO 1458a_200159257847_100000746330 [0,1,0,0,0,0|3,0,0]=4 2379 B11R0.2 C[S+](C)CC(=O)NCCCCO 240690a_100000750430_200159257847 [0,1,0,0,0,0|3,0,0]=4 2380 B11R0.2 C[S+](C)CC(=O)NCCCCO 527a_100000750430_200159257847 [0,1,0,0,0,0|3,0,0]=4 2381 B11R0.2 O=C(CCCCCO)CC(F)F 1458a_100102619762_100011934356 [0,1,0,0,0,0|3,0,0]=4 2382 B11R0.4 C#CCC(=O)C#CCCCCC 1458a_100011215388_100000184674 [0,1,0,0,0,0|1,0,2]=4 2383 B11R0.4 C#CCC(=O)C=CCCCCC 1458a_100016263427_100000184674 [0,1,0,0,0,0|1,0,2]=4 2384 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,1,0,0,0,0|1,0,2]=4 2385 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,1,0,0,0,0|1,0,2]=4 2386 B11R0.4 C#CCC(=O)CCCCCCF 1458a_100011220946_100015922095 [0,1,0,0,0,0|1,0,2]=4 2387 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011220946_100000766143 [0,1,0,0,0,0|1,0,2]=4 2388 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011996774_100000184674 [0,1,0,0,0,0|1,0,2]=4 2389 B11R0.4 C#CCC(=O)CCCCCOC 1458a_100011935119_100000184674 [0,1,0,0,0,0|1,0,2]=4 2390 B11R0.4 C#CCC(=O)CCOCCCC 1458a_100011220946_100000743108 [0,1,0,0,0,0|1,0,2]=4 2391 B11R0.4 C#CCC(=O)NCCCCCC 1626a_100000210581_100011220946 [0,1,0,0,0,0|1,0,2]=4 2392 B11R0.4 C#CCC(=O)NCCCCCC 527a_100000210581_100011220946 [0,1,0,0,0,0|1,0,2]=4 2393 B11R0.4 C#CCC(=O)NCCCOCC 1626a_100000210961_100011220946 [0,1,0,0,0,0|1,0,2]=4 2394 B11R0.4 C#CCC(=O)NCCCOCC 527a_100000210961_100011220946 [0,1,0,0,0,0|1,0,2]=4 2395 B11R0.4 C#CCC(=O)NCCOCCC 1626a_100161115042_100011220946 [0,1,0,0,0,0|1,0,2]=4 2396 B11R0.4 C#CCC(=O)NCCOCCC 527a_100161115042_100011220946 [0,1,0,0,0,0|1,0,2]=4 2397 B11R0.4 C#CCC(=O)NCCSCCC 527a_100020603323_100011220946 [0,1,0,0,0,0|1,0,2]=4 2398 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,1,0,0,0,0|1,0,1]=3 2399 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,1,0,0,0,0|1,0,1]=3 2400 B11R0.4 C#CCCCCCC(=O)CCF 1458a_100000694772_100011217306 [0,1,0,0,0,0|2,0,1]=4 2401 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100000694772_100000211926 [0,1,0,0,0,0|2,0,1]=4 2402 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100011216618_100012094781 [0,1,0,0,0,0|2,0,1]=4 2403 B11R0.4 C#CCCCCCC(=O)COC 1458a_100000210968_100012094781 [0,1,0,0,0,0|2,0,1]=4 2404 B11R0.4 C#CCCCCCC(=O)CSC 1458a_100000184570_100012094781 [0,1,0,0,0,0|2,0,1]=4 2405 B11R0.4 C#CCCCCCC(=O)NCC 11a_100015525214_100000694772 [0,1,0,0,0,0|2,0,1]=4 2406 B11R0.4 C#CCCCCCC(=O)NCC 240690a_100015525214_100000694772 [0,1,0,0,0,0|2,0,1]=4 2407 B11R0.4 C#CCCCCCC(=O)NCC 527a_100015525214_100000694772 [0,1,0,0,0,0|2,0,1]=4 2408 B11R0.4 C#CCCCCNC(=O)CCC 11a_100000706060_100000211992 [0,1,0,0,0,0|1,0,1]=3 2409 B11R0.4 C#CCCCCNC(=O)CCC 1626a_100000706060_100000211992 [0,1,0,0,0,0|1,0,1]=3 2410 B11R0.4 C#CCCCCNC(=O)CCC 240690a_100000706060_100000211992 [0,1,0,0,0,0|1,0,1]=3 2411 B11R0.4 C#CCCCCNC(=O)CCC 527a_100000706060_100000211992 [0,1,0,0,0,0|1,0,1]=3 2412 B11R0.4 C#CCCCCNC(=O)CCO 240690a_100000706060_100011216618 [0,1,0,0,0,0|2,0,1]=4 2413 B11R0.4 C#CCCCCNC(=O)COC 11a_100000706060_100000210968 [0,1,0,0,0,0|2,0,1]=4 2414 B11R0.4 C#CCCCCNC(=O)COC 1626a_100000706060_100000210968 [0,1,0,0,0,0|2,0,1]=4 2415 B11R0.4 C#CCCCCNC(=O)COC 240690a_100000706060_100000210968 [0,1,0,0,0,0|2,0,1]=4 2416 B11R0.4 C#CCCCCNC(=O)COC 527a_100000706060_100000210968 [0,1,0,0,0,0|2,0,1]=4 2417 B11R0.4 C#CCCCCNC(=O)CSC 11a_100000706060_100000184570 [0,1,0,0,0,0|2,0,1]=4 2418 B11R0.4 C#CCCCCNC(=O)CSC 1626a_100000706060_100000184570 [0,1,0,0,0,0|2,0,1]=4 2419 B11R0.4 C#CCCCCNC(=O)CSC 240690a_100000706060_100000184570 [0,1,0,0,0,0|2,0,1]=4 2420 B11R0.4 C#CCCCCNC(=O)CSC 527a_100000706060_100000184570 [0,1,0,0,0,0|2,0,1]=4 2421 B11R0.4 C#CCCCCNC(=O)NCC 2708a_100000706060_100015525214 [0,1,0,0,0,0|2,0,1]=4 2422 B11R0.4 C#CCCCCNC(=O)NCC 2708a_100015525214_100000706060 [0,1,0,0,0,0|2,0,1]=4 2423 B11R0.4 C#CCCCCNC(=O)NCC 273464a_100000706060_100015525214 [0,1,0,0,0,0|2,0,1]=4 2424 B11R0.4 C#CCCCCNC(=O)NCC 273464a_100015525214_100000706060 [0,1,0,0,0,0|2,0,1]=4 2425 B11R0.4 C#CCCCCNC(=O)NCC 512a_100000706060_100015525214 [0,1,0,0,0,0|2,0,1]=4 2426 B11R0.4 C#CCCCCNC(=O)NCC 512a_100015525214_100000706060 [0,1,0,0,0,0|2,0,1]=4 2427 B11R0.4 C#CCCCCOC(C)CCC 34a_100000764384_100010269958 [0,1,0,0,0,0|1,0,2]=4 2428 B11R0.4 C#CCCCCOC(C)CCC 34a_100000766709_100000766640 [0,1,0,0,0,0|1,0,2]=4 2429 B11R0.4 C#CCCCCOC(C)CCC 7a_100000764384_100010269958 [0,1,0,0,0,0|1,0,2]=4 2430 B11R0.4 C#CCCCCOC(C)CCC 7a_100000766709_100000766640 [0,1,0,0,0,0|1,0,2]=4 2431 B11R0.4 C#CCCCOCC(=O)CCC 7a_100000215630_100000747444 [0,1,0,0,0,0|0,0,2]=3 2432 B11R0.4 C#CCCCOCC(=O)NCC 34a_100000215630_100000183381 [0,1,0,0,0,0|1,0,2]=4 2433 B11R0.4 C#CCCCOCC(=O)NCC 7a_100000215630_100000183381 [0,1,0,0,0,0|1,0,2]=4 2434 B11R0.4 C#CCCCOCC(=O)OCC 34a_100000215630_100000188475 [0,1,0,0,0,0|1,0,2]=4 2435 B11R0.4 C#CCCCOCC(=O)OCC 7a_100000215630_100000188475 [0,1,0,0,0,0|1,0,2]=4 2436 B11R0.4 C#CCCCSCC(=O)CCC 62a_100000747444_100011215417 [0,1,0,0,0,0|0,1,2]=4 2437 B11R0.4 C#CCCCSCC(=O)CCC 62a_100011215417_100000747444 [0,1,0,0,0,0|0,1,2]=4 2438 B11R0.4 C#CCCNCOC(=O)CCC 34a_100000755551_100000034017 [0,1,0,0,0,0|0,0,2]=3 2439 B11R0.4 C#CCCOCOC(=O)CCC 34a_100011215631_100000034017 [0,1,0,0,0,0|0,0,2]=3 2440 B11R0.4 C#CCCSCOC(=O)CCC 62a_100000688953_100000034017 [0,1,0,0,0,0|0,0,2]=3 2441 B11R0.4 C#CCCSCOC(=O)OCC 62a_100000688953_100000075025 [0,1,0,0,0,0|1,0,2]=4 2442 B11R0.4 C#CCOCCNC(=O)CCC 11a_100000700922_100000211992 [0,1,0,0,0,0|1,0,2]=4 2443 B11R0.4 C#CCOCCNC(=O)CCC 1626a_100000700922_100000211992 [0,1,0,0,0,0|1,0,2]=4 2444 B11R0.4 C#CCOCCNC(=O)CCC 240690a_100000700922_100000211992 [0,1,0,0,0,0|1,0,2]=4 2445 B11R0.4 C#CCOCCNC(=O)CCC 527a_100000700922_100000211992 [0,1,0,0,0,0|1,0,2]=4 2446 B11R0.4 C/C=C/CCOCC(=O)NCC 34a_100016278192_100000183381 [0,1,0,0,0,0|1,0,2]=4 2447 B11R0.4 C/C=C/CCOCC(=O)OCC 34a_100016278192_100000188475 [0,1,0,0,0,0|1,0,2]=4 2448 B11R0.4 C/C=C/COCOC(=O)CCC 34a_100016270725_100000034017 [0,1,0,0,0,0|0,0,2]=3 2449 B11R0.4 C/C=C/CSCOC(=O)CCC 62a_100102629194_100000034017 [0,1,0,0,0,0|0,0,2]=3 2450 B11R0.4 C/C=C/CSCOC(=O)OCC 62a_100102629194_100000075025 [0,1,0,0,0,0|1,0,2]=4 2451 B11R0.4 C=CCC(=O)C#CCCCCC 1458a_100011215388_100000210623 [0,1,0,0,0,0|1,0,2]=4 2452 B11R0.4 C=CCC(=O)C=CCCCCC 1458a_100016263427_100000210623 [0,1,0,0,0,0|1,0,2]=4 2453 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,1,0,0,0,0|1,0,2]=4 2454 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,1,0,0,0,0|1,0,2]=4 2455 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [0,1,0,0,0,0|1,0,2]=4 2456 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,1,0,0,0,0|1,0,2]=4 2457 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,1,0,0,0,0|1,0,2]=4 2458 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [0,1,0,0,0,0|1,0,2]=4 2459 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [0,1,0,0,0,0|1,0,2]=4 2460 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [0,1,0,0,0,0|1,0,2]=4 2461 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [0,1,0,0,0,0|1,0,2]=4 2462 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [0,1,0,0,0,0|1,0,2]=4 2463 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [0,1,0,0,0,0|1,0,2]=4 2464 B11R0.4 C=CCC(=O)NCCCCCO 240690a_100000762737_100000210193 [0,1,0,0,0,0|1,0,2]=4 2465 B11R0.4 C=CCC(=O)NCCCOCC 11a_100000210961_100000210193 [0,1,0,0,0,0|1,0,2]=4 2466 B11R0.4 C=CCC(=O)NCCCOCC 1626a_100000210961_100000210193 [0,1,0,0,0,0|1,0,2]=4 2467 B11R0.4 C=CCC(=O)NCCCOCC 240690a_100000210961_100000210193 [0,1,0,0,0,0|1,0,2]=4 2468 B11R0.4 C=CCC(=O)NCCCOCC 527a_100000210961_100000210193 [0,1,0,0,0,0|1,0,2]=4 2469 B11R0.4 C=CCC(=O)NCCOCCC 1626a_100161115042_100000210193 [0,1,0,0,0,0|1,0,2]=4 2470 B11R0.4 C=CCC(=O)NCCOCCC 240690a_100161115042_100000210193 [0,1,0,0,0,0|1,0,2]=4 2471 B11R0.4 C=CCC(=O)NCCOCCC 527a_100161115042_100000210193 [0,1,0,0,0,0|1,0,2]=4 2472 B11R0.4 C=CCC(=O)NCCSCCC 11a_100020603323_100000210193 [0,1,0,0,0,0|1,0,2]=4 2473 B11R0.4 C=CCC(=O)NCCSCCC 240690a_100020603323_100000210193 [0,1,0,0,0,0|1,0,2]=4 2474 B11R0.4 C=CCC(=O)NCCSCCC 527a_100020603323_100000210193 [0,1,0,0,0,0|1,0,2]=4 2475 B11R0.4 C=CCC(=O)NNCCCCC 22a_100000694160_100000210193 [0,1,0,0,0,0|1,0,2]=4 2476 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,1,0,0,0,0|1,0,1]=3 2477 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,1,0,0,0,0|1,0,1]=3 2478 B11R0.4 C=CCCCCCC(=O)CCF 1458a_100011934241_100011217306 [0,1,0,0,0,0|2,0,1]=4 2479 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,1,0,0,0,0|2,0,1]=4 2480 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,1,0,0,0,0|2,0,1]=4 2481 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [0,1,0,0,0,0|2,0,1]=4 2482 B11R0.4 C=CCCCCCC(=O)CSC 1458a_100000184570_100000700193 [0,1,0,0,0,0|2,0,1]=4 2483 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [0,1,0,0,0,0|2,0,1]=4 2484 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [0,1,0,0,0,0|2,0,1]=4 2485 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [0,1,0,0,0,0|2,0,1]=4 2486 B11R0.4 C=CCCCCNC(=O)CCC 11a_100000703577_100000211992 [0,1,0,0,0,0|1,0,1]=3 2487 B11R0.4 C=CCCCCNC(=O)CCC 1626a_100000703577_100000211992 [0,1,0,0,0,0|1,0,1]=3 2488 B11R0.4 C=CCCCCNC(=O)CCC 240690a_100000703577_100000211992 [0,1,0,0,0,0|1,0,1]=3 2489 B11R0.4 C=CCCCCNC(=O)CCC 527a_100000703577_100000211992 [0,1,0,0,0,0|1,0,1]=3 2490 B11R0.4 C=CCCCCNC(=O)CCO 240690a_100000703577_100011216618 [0,1,0,0,0,0|2,0,1]=4 2491 B11R0.4 C=CCCCCNC(=O)COC 11a_100000703577_100000210968 [0,1,0,0,0,0|2,0,1]=4 2492 B11R0.4 C=CCCCCNC(=O)COC 1626a_100000703577_100000210968 [0,1,0,0,0,0|2,0,1]=4 2493 B11R0.4 C=CCCCCNC(=O)COC 240690a_100000703577_100000210968 [0,1,0,0,0,0|2,0,1]=4 2494 B11R0.4 C=CCCCCNC(=O)COC 527a_100000703577_100000210968 [0,1,0,0,0,0|2,0,1]=4 2495 B11R0.4 C=CCCCCNC(=O)CSC 11a_100000703577_100000184570 [0,1,0,0,0,0|2,0,1]=4 2496 B11R0.4 C=CCCCCNC(=O)CSC 1626a_100000703577_100000184570 [0,1,0,0,0,0|2,0,1]=4 2497 B11R0.4 C=CCCCCNC(=O)CSC 240690a_100000703577_100000184570 [0,1,0,0,0,0|2,0,1]=4 2498 B11R0.4 C=CCCCCNC(=O)CSC 527a_100000703577_100000184570 [0,1,0,0,0,0|2,0,1]=4 2499 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100000703577_100015525214 [0,1,0,0,0,0|2,0,1]=4 2500 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100015525214_100000703577 [0,1,0,0,0,0|2,0,1]=4 2501 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100000703577_100015525214 [0,1,0,0,0,0|2,0,1]=4 2502 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100015525214_100000703577 [0,1,0,0,0,0|2,0,1]=4 2503 B11R0.4 C=CCCCCNC(=O)NCC 512a_100000703577_100015525214 [0,1,0,0,0,0|2,0,1]=4 2504 B11R0.4 C=CCCCCNC(=O)NCC 512a_100015525214_100000703577 [0,1,0,0,0,0|2,0,1]=4 2505 B11R0.4 C=CCCCCOC(C)CCC 34a_100000764384_100011215482 [0,1,0,0,0,0|1,0,2]=4 2506 B11R0.4 C=CCCCCOC(C)CCC 34a_100000766645_100000766640 [0,1,0,0,0,0|1,0,2]=4 2507 B11R0.4 C=CCCCCOC(C)CCC 7a_100000764384_100011215482 [0,1,0,0,0,0|1,0,2]=4 2508 B11R0.4 C=CCCCCOC(C)CCC 7a_100000766645_100000766640 [0,1,0,0,0,0|1,0,2]=4 2509 B11R0.4 C=CCCCNCC(=O)CCC 2230a_100000700776_100000747444 [0,1,0,0,0,0|1,0,2]=4 2510 B11R0.4 C=CCCCOCC(=O)CCC 7a_100000758997_100000747444 [0,1,0,0,0,0|0,0,2]=3 2511 B11R0.4 C=CCCCOCC(=O)NCC 34a_100000758997_100000183381 [0,1,0,0,0,0|1,0,2]=4 2512 B11R0.4 C=CCCCOCC(=O)NCC 7a_100000758997_100000183381 [0,1,0,0,0,0|1,0,2]=4 2513 B11R0.4 C=CCCCOCC(=O)OCC 34a_100000758997_100000188475 [0,1,0,0,0,0|1,0,2]=4 2514 B11R0.4 C=CCCCOCC(=O)OCC 7a_100000758997_100000188475 [0,1,0,0,0,0|1,0,2]=4 2515 B11R0.4 C=CCCCSCC(=O)CCC 62a_100000747444_100000757094 [0,1,0,0,0,0|0,1,2]=4 2516 B11R0.4 C=CCCCSCC(=O)CCC 62a_100011713584_100000747444 [0,1,0,0,0,0|0,1,2]=4 2517 B11R0.4 C=CCCNCOC(=O)CCC 2230a_100015191253_100000034017 [0,1,0,0,0,0|0,0,2]=3 2518 B11R0.4 C=CCCOCOC(=O)CCC 34a_100011205117_100000034017 [0,1,0,0,0,0|0,0,2]=3 2519 B11R0.4 C=CCCSCOC(=O)CCC 62a_100000754431_100000034017 [0,1,0,0,0,0|0,0,2]=3 2520 B11R0.4 C=CCCSCOC(=O)OCC 62a_100000754431_100000075025 [0,1,0,0,0,0|1,0,2]=4 2521 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [0,1,0,0,0,0|1,0,2]=4 2522 B11R0.4 C=COCCCNC(=O)CCC 11a_100000210767_100000211992 [0,1,0,0,0,0|1,0,2]=4 2523 B11R0.4 C=COCCCNC(=O)CCC 1626a_100000210767_100000211992 [0,1,0,0,0,0|1,0,2]=4 2524 B11R0.4 C=COCCCNC(=O)CCC 240690a_100000210767_100000211992 [0,1,0,0,0,0|1,0,2]=4 2525 B11R0.4 C=COCCCNC(=O)CCC 527a_100000210767_100000211992 [0,1,0,0,0,0|1,0,2]=4 2526 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,1,0,0,0,0|1,0,2]=4 2527 B11R0.4 CC#CC(=O)CCCCCCF 1458a_100000763181_100015922095 [0,1,0,0,0,0|1,0,2]=4 2528 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [0,1,0,0,0,0|1,0,2]=4 2529 B11R0.4 CC#CC(=O)CCOCCCC 1458a_100000763181_100000743108 [0,1,0,0,0,0|1,0,2]=4 2530 B11R0.4 CC#CC(=O)NNCCCCC 22a_100000694160_100000763181 [0,1,0,0,0,0|1,0,2]=4 2531 B11R0.4 CC#CCCOCC(=O)NCC 34a_100000750427_100000183381 [0,1,0,0,0,0|1,0,2]=4 2532 B11R0.4 CC#CCCOCC(=O)OCC 34a_100000750427_100000188475 [0,1,0,0,0,0|1,0,2]=4 2533 B11R0.4 CC#CCNCOC(=O)CCC 2230a_100000685387_100000034017 [0,1,0,0,0,0|0,0,2]=3 2534 B11R0.4 CC#CCNCOC(=O)CCC 34a_100000685387_100000034017 [0,1,0,0,0,0|0,0,2]=3 2535 B11R0.4 CC#CCOCOC(=O)CCC 34a_100000761923_100000034017 [0,1,0,0,0,0|0,0,2]=3 2536 B11R0.4 CC#CCSCOC(=O)CCC 62a_100000748600_100000034017 [0,1,0,0,0,0|0,0,2]=3 2537 B11R0.4 CC#CCSCOC(=O)OCC 62a_100000748600_100000075025 [0,1,0,0,0,0|1,0,2]=4 2538 B11R0.4 CC(CCBr)OCCCCCF 34a_100012276601_100000729378 [0,1,0,0,0,0|2,0,1]=4 2539 B11R0.4 CC(CCBr)OCCCCCO 34a_100012276601_100000746330 [0,1,0,0,0,0|2,0,1]=4 2540 B11R0.4 CC(CCO)OCCCCCBr 34a_100000746331_100009893172 [0,1,0,0,0,0|2,0,1]=4 2541 B11R0.4 CC(CCO)OCCCCCBr 7a_100000746331_100009893172 [0,1,0,0,0,0|2,0,1]=4 2542 B11R0.4 CC(CCO)OCCCCCCl 34a_100000746330_100009893172 [0,1,0,0,0,0|2,0,1]=4 2543 B11R0.4 CC(CCO)OCCCCCCl 7a_100000746330_100009893172 [0,1,0,0,0,0|2,0,1]=4 2544 B11R0.4 CC(CCO)OCCCCCI 34a_200012148887_100009893172 [0,1,0,0,0,0|2,0,1]=4 2545 B11R0.4 CC(CCO)OCCCCCI 7a_200012148887_100009893172 [0,1,0,0,0,0|2,0,1]=4 2546 B11R0.4 CC(CCO)OCCCCCN 34a_100000762737_100009893172 [0,1,0,0,0,0|2,0,1]=4 2547 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100000764384_100015370543 [0,1,0,0,0,0|1,0,2]=4 2548 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100016288707_100000766640 [0,1,0,0,0,0|1,0,2]=4 2549 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100000764384_100015370543 [0,1,0,0,0,0|1,0,2]=4 2550 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100016288707_100000766640 [0,1,0,0,0,0|1,0,2]=4 2551 B11R0.4 CC/C=C\COCC(=O)NCC 34a_100016268518_100000183381 [0,1,0,0,0,0|1,0,2]=4 2552 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [0,1,0,0,0,0|1,0,2]=4 2553 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [0,1,0,0,0,0|0,1,2]=4 2554 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [0,1,0,0,0,0|0,1,2]=4 2555 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,1,0,0,0,0|1,0,2]=4 2556 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [0,1,0,0,0,0|1,0,2]=4 2557 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,1,0,0,0,0|1,0,2]=4 2558 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [0,1,0,0,0,0|1,0,2]=4 2559 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,1,0,0,0,0|1,0,2]=4 2560 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,1,0,0,0,0|1,0,2]=4 2561 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,1,0,0,0,0|1,0,2]=4 2562 B11R0.4 CC=CC(=O)NCCCCCO 240690a_100000762737_100000210699 [0,1,0,0,0,0|1,0,2]=4 2563 B11R0.4 CC=CC(=O)NCCCOCC 11a_100000210961_100000210699 [0,1,0,0,0,0|1,0,2]=4 2564 B11R0.4 CC=CC(=O)NCCCOCC 1626a_100000210961_100000210699 [0,1,0,0,0,0|1,0,2]=4 2565 B11R0.4 CC=CC(=O)NCCCOCC 240690a_100000210961_100000210699 [0,1,0,0,0,0|1,0,2]=4 2566 B11R0.4 CC=CC(=O)NCCOCCC 1626a_100161115042_100000210699 [0,1,0,0,0,0|1,0,2]=4 2567 B11R0.4 CC=CC(=O)NCCOCCC 240690a_100161115042_100000210699 [0,1,0,0,0,0|1,0,2]=4 2568 B11R0.4 CC=CC(=O)NCCSCCC 11a_100020603323_100000210699 [0,1,0,0,0,0|1,0,2]=4 2569 B11R0.4 CC=CC(=O)NCCSCCC 240690a_100020603323_100000210699 [0,1,0,0,0,0|1,0,2]=4 2570 B11R0.4 CC=CC(=O)NNCCCCC 22a_100000694160_100000210699 [0,1,0,0,0,0|1,0,2]=4 2571 B11R0.4 CC=CCCCOC(C)CCC 34a_100020645299_100000766640 [0,1,0,0,0,0|1,0,2]=4 2572 B11R0.4 CC=CCSCOC(=O)CCC 62a_100000070051_100000034017 [0,1,0,0,0,0|0,0,2]=3 2573 B11R0.4 CC=CCSCOC(=O)OCC 62a_100000070051_100000075025 [0,1,0,0,0,0|1,0,2]=4 2574 B11R0.4 CCC#CCCOC(C)CCC 34a_100000036655_100000766640 [0,1,0,0,0,0|1,0,2]=4 2575 B11R0.4 CCC#CCCOC(C)CCC 7a_100000036655_100000766640 [0,1,0,0,0,0|1,0,2]=4 2576 B11R0.4 CCC#CCOCC(=O)NCC 34a_100000032950_100000183381 [0,1,0,0,0,0|1,0,2]=4 2577 B11R0.4 CCC#CCOCC(=O)OCC 34a_100000032950_100000188475 [0,1,0,0,0,0|1,0,2]=4 2578 B11R0.4 CCC#CCSCC(=O)CCC 62a_100000747444_100009813939 [0,1,0,0,0,0|0,1,2]=4 2579 B11R0.4 CCC#CCSCC(=O)CCC 62a_100009813939_100000747444 [0,1,0,0,0,0|0,1,2]=4 2580 B11R0.4 CCC/C=C/C=CC(=O)CCC 1458a_200016258893_100000210303 [0,1,0,0,0,0|1,0,2]=4 2581 B11R0.4 CCC/C=C/COC(C)CCC 34a_100016278788_100000766640 [0,1,0,0,0,0|1,0,2]=4 2582 B11R0.4 CCC/C=C/COC(C)CCC 7a_100016278788_100000766640 [0,1,0,0,0,0|1,0,2]=4 2583 B11R0.4 CCCC#CCOC(C)CCC 34a_100000034806_100000766640 [0,1,0,0,0,0|1,0,2]=4 2584 B11R0.4 CCCC#CCOC(C)CCC 7a_100000034806_100000766640 [0,1,0,0,0,0|1,0,2]=4 2585 B11R0.4 CCCC(=NNCCOCC)C 4a_100000732670_100000211909 [0,1,0,0,0,0|3,0,0]=4 2586 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,1,0,0,0,0|1,0,1]=3 2587 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,1,0,0,0,0|1,0,0]=2 2588 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,1,0,0,0,0|1,0,0]=2 2589 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,1,0,0,0,0|1,0,0]=2 2590 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,1,0,0,0,0|1,0,0]=2 2591 B11R0.4 CCCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210303 [0,1,0,0,0,0|3,0,0]=4 2592 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [0,1,0,0,0,0|2,0,0]=3 2593 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [0,1,0,0,0,0|2,0,0]=3 2594 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,1,0,0,0,0|2,0,0]=3 2595 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [0,1,0,0,0,0|2,0,0]=3 2596 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [0,1,0,0,0,0|2,0,0]=3 2597 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [0,1,0,0,0,0|2,0,0]=3 2598 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [0,1,0,0,0,0|1,0,0]=2 2599 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [0,1,0,0,0,0|1,0,0]=2 2600 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [0,1,0,0,0,0|1,0,0]=2 2601 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [0,1,0,0,0,0|1,0,0]=2 2602 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [0,1,0,0,0,0|1,0,0]=2 2603 B11R0.4 CCCC(=O)CSCCCC#N 62a_100000687738_100000747444 [0,1,0,0,0,0|1,1,1]=4 2604 B11R0.4 CCCC(=O)CSCCCC#N 62a_100000747444_100000687738 [0,1,0,0,0,0|1,1,1]=4 2605 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [0,1,0,0,0,0|1,1,1]=4 2606 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [0,1,0,0,0,0|1,1,1]=4 2607 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [0,1,0,0,0,0|1,1,0]=3 2608 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [0,1,0,0,0,0|1,1,0]=3 2609 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,1,0,0,0,0|1,1,0]=3 2610 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,1,0,0,0,0|1,1,0]=3 2611 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [0,1,0,0,0,0|1,1,0]=3 2612 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [0,1,0,0,0,0|1,1,0]=3 2613 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [0,1,0,0,0,0|1,1,0]=3 2614 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [0,1,0,0,0,0|1,1,0]=3 2615 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [0,1,0,0,0,0|1,1,0]=3 2616 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [0,1,0,0,0,0|1,1,0]=3 2617 B11R0.4 CCCC(=O)NCCCCC#N 11a_100000751965_100000211992 [0,1,0,0,0,0|1,0,1]=3 2618 B11R0.4 CCCC(=O)NCCCCC#N 1626a_100000751965_100000211992 [0,1,0,0,0,0|1,0,1]=3 2619 B11R0.4 CCCC(=O)NCCCCC#N 240690a_100000751965_100000211992 [0,1,0,0,0,0|1,0,1]=3 2620 B11R0.4 CCCC(=O)NCCCCC#N 527a_100000751965_100000211992 [0,1,0,0,0,0|1,0,1]=3 2621 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,1,0,0,0,0|1,0,0]=2 2622 B11R0.4 CCCC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100000211992 [0,1,0,0,0,0|3,0,0]=4 2623 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,1,0,0,0,0|1,0,0]=2 2624 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,1,0,0,0,0|1,0,0]=2 2625 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,1,0,0,0,0|1,0,0]=2 2626 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,1,0,0,0,0|1,0,0]=2 2627 B11R0.4 CCCC(=O)NCCOCCO 240690a_100000211614_100000211992 [0,1,0,0,0,0|2,0,0]=3 2628 B11R0.4 CCCC(=O)NCCSCCO 240690a_100011219999_100000211992 [0,1,0,0,0,0|2,0,0]=3 2629 B11R0.4 CCCC(=O)NCCSCCO 527a_100011219999_100000211992 [0,1,0,0,0,0|2,0,0]=3 2630 B11R0.4 CCCC(=O)NN=CCCSC 4a_100000189770_100000210997 [0,1,0,0,0,0|2,0,1]=4 2631 B11R0.4 CCCC(=O)NNCCCOC 22a_100025702787_100000211992 [0,1,0,0,0,0|2,0,0]=3 2632 B11R0.4 CCCC(=O)NNCCOCC 22a_100000732670_100000211992 [0,1,0,0,0,0|2,0,0]=3 2633 B11R0.4 CCCC(=O)OCNCCCF 2230a_100015189416_100000034017 [0,1,0,0,0,0|1,0,0]=2 2634 B11R0.4 CCCC(=O)OCNCCCF 34a_100015189416_100000034017 [0,1,0,0,0,0|1,0,0]=2 2635 B11R0.4 CCCC(=O)OCNCCOC 2230a_100000209980_100000034017 [0,1,0,0,0,0|1,0,0]=2 2636 B11R0.4 CCCC(=O)OCNCCSC 2230a_100020590264_100000034017 [0,1,0,0,0,0|1,0,0]=2 2637 B11R0.4 CCCC(=O)OCOCCCBr 34a_100011217188_100000034017 [0,1,0,0,0,0|1,0,0]=2 2638 B11R0.4 CCCC(=O)OCOCCCCl 34a_100000230001_100000034017 [0,1,0,0,0,0|1,0,0]=2 2639 B11R0.4 CCCC(=O)OCOCCCF 34a_100000759539_100000034017 [0,1,0,0,0,0|1,0,0]=2 2640 B11R0.4 CCCC(=O)OCOCCCN 34a_100000182051_100000034017 [0,1,0,0,0,0|1,0,0]=2 2641 B11R0.4 CCCC(=O)OCOCCOC 34a_100000210237_100000034017 [0,1,0,0,0,0|1,0,0]=2 2642 B11R0.4 CCCC(=O)OCOCCON 34a_100000700252_100000034017 [0,1,0,0,0,0|2,0,0]=3 2643 B11R0.4 CCCC(=O)OCOCCSC 34a_100000230434_100000034017 [0,1,0,0,0,0|1,0,0]=2 2644 B11R0.4 CCCC(=O)OCSCCC#N 62a_100011215226_100000034017 [0,1,0,0,0,0|1,0,1]=3 2645 B11R0.4 CCCC(=O)OCSCCCF 62a_100011934791_100000034017 [0,1,0,0,0,0|1,0,0]=2 2646 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [0,1,0,0,0,0|1,0,0]=2 2647 B11R0.4 CCCC(=O)OCSCCOC 62a_100000233755_100000034017 [0,1,0,0,0,0|1,0,0]=2 2648 B11R0.4 CCCC(=O)OCSCCSC 62a_100000212216_100000034017 [0,1,0,0,0,0|1,0,0]=2 2649 B11R0.4 CCCC(=O)OCSCOCC 62a_100000739092_100000034017 [0,1,0,0,0,0|1,0,0]=2 2650 B11R0.4 CCCC(=O)OCSCSC#N 62a_100000211825_100000034017 [0,1,0,0,0,0|2,0,1]=4 2651 B11R0.4 CCCC(C)COCCCCBr 34a_100011216708_100011216630 [0,1,0,0,0,0|2,0,1]=4 2652 B11R0.4 CCCC(C)COCCCCCl 34a_100000210776_100011216630 [0,1,0,0,0,0|2,0,1]=4 2653 B11R0.4 CCCC(C)COCCCCCl 7a_100000210776_100011216630 [0,1,0,0,0,0|2,0,1]=4 2654 B11R0.4 CCCC(C)COCCCCF 34a_100000688023_100000729493 [0,1,0,0,0,0|2,0,1]=4 2655 B11R0.4 CCCC(C)COCCCCF 34a_100011995726_100011216630 [0,1,0,0,0,0|2,0,1]=4 2656 B11R0.4 CCCC(C)COCCCCF 7a_100000688023_100000729493 [0,1,0,0,0,0|2,0,1]=4 2657 B11R0.4 CCCC(C)COCCCCF 7a_100011995726_100011216630 [0,1,0,0,0,0|2,0,1]=4 2658 B11R0.4 CCCC(C)COCCCCI 34a_200012148704_100011216630 [0,1,0,0,0,0|2,0,1]=4 2659 B11R0.4 CCCC(C)COCCCCN 34a_100000750430_100011216630 [0,1,0,0,0,0|2,0,1]=4 2660 B11R0.4 CCCC(C)COCCCCO 34a_100000688023_100011216708 [0,1,0,0,0,0|2,0,1]=4 2661 B11R0.4 CCCC(C)COCCCCO 7a_100000688023_100000210776 [0,1,0,0,0,0|2,0,1]=4 2662 B11R0.4 CCCC(C)COCCCNC 34a_100000213112_100011216630 [0,1,0,0,0,0|2,0,1]=4 2663 B11R0.4 CCCC(C)COCCCOC 34a_100000688023_100000740836 [0,1,0,0,0,0|2,0,1]=4 2664 B11R0.4 CCCC(C)COCCCOC 34a_100000740835_100011216630 [0,1,0,0,0,0|2,0,1]=4 2665 B11R0.4 CCCC(C)COCCCOC 7a_100000688023_100000740836 [0,1,0,0,0,0|2,0,1]=4 2666 B11R0.4 CCCC(C)COCCCSC 34a_100000690336_100011216630 [0,1,0,0,0,0|2,0,1]=4 2667 B11R0.4 CCCC(C)COCCCSC 7a_100000690336_100011216630 [0,1,0,0,0,0|2,0,1]=4 2668 B11R0.4 CCCC(C)COCCOCC 34a_100000210136_100011216630 [0,1,0,0,0,0|2,0,1]=4 2669 B11R0.4 CCCC(C)COCCOCC 34a_100000688023_100000210147 [0,1,0,0,0,0|2,0,1]=4 2670 B11R0.4 CCCC(C)COCCOCC 7a_100000210136_100011216630 [0,1,0,0,0,0|2,0,1]=4 2671 B11R0.4 CCCC(C)COCCOCC 7a_100000688023_100011215890 [0,1,0,0,0,0|2,0,1]=4 2672 B11R0.4 CCCC(C)COCCSCC 34a_100000212035_100011216630 [0,1,0,0,0,0|2,0,1]=4 2673 B11R0.4 CCCC(C)COCCSCC 34a_100000688023_100000757381 [0,1,0,0,0,0|2,0,1]=4 2674 B11R0.4 CCCC(C)COCCSCC 7a_100000212035_100011216630 [0,1,0,0,0,0|2,0,1]=4 2675 B11R0.4 CCCC(C)COCCSCC 7a_100000688023_100000757381 [0,1,0,0,0,0|2,0,1]=4 2676 B11R0.4 CCCC(C)NCCCCCF 2230a_100000741246_100000729378 [0,1,0,0,0,0|2,0,1]=4 2677 B11R0.4 CCCC(C)NCCCCCO 2230a_100000741246_100000746330 [0,1,0,0,0,0|2,0,1]=4 2678 B11R0.4 CCCC(C)NCCCCCO 2230a_100000762737_100000766640 [0,1,0,0,0,0|2,0,1]=4 2679 B11R0.4 CCCC(C)NCCCCCO 270004a_100000762737_100000211909 [0,1,0,0,0,0|2,0,1]=4 2680 B11R0.4 CCCC(C)NCCCCCO 34a_100000762737_100000766640 [0,1,0,0,0,0|2,0,1]=4 2681 B11R0.4 CCCC(C)NCCCCOC 2230a_100000741246_100000730899 [0,1,0,0,0,0|2,0,1]=4 2682 B11R0.4 CCCC(C)NCCCOCC 2230a_100000210961_100000766640 [0,1,0,0,0,0|2,0,1]=4 2683 B11R0.4 CCCC(C)NCCCOCC 2230a_100000741246_100012232248 [0,1,0,0,0,0|2,0,1]=4 2684 B11R0.4 CCCC(C)NCCCOCC 270004a_100000210961_100000211909 [0,1,0,0,0,0|2,0,1]=4 2685 B11R0.4 CCCC(C)NCCCOCC 34a_100000210961_100000766640 [0,1,0,0,0,0|2,0,1]=4 2686 B11R0.4 CCCC(C)OCCCCC#N 7a_100000764384_100000211819 [0,1,0,0,0,0|1,0,2]=4 2687 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [0,1,0,0,0,0|1,0,2]=4 2688 B11R0.4 CCCC(C)OCCCCCBr 34a_100000746331_100000766640 [0,1,0,0,0,0|1,0,1]=3 2689 B11R0.4 CCCC(C)OCCCCCBr 7a_100000746331_100000766640 [0,1,0,0,0,0|1,0,1]=3 2690 B11R0.4 CCCC(C)OCCCCCCl 34a_100000746330_100000766640 [0,1,0,0,0,0|1,0,1]=3 2691 B11R0.4 CCCC(C)OCCCCCCl 7a_100000746330_100000766640 [0,1,0,0,0,0|1,0,1]=3 2692 B11R0.4 CCCC(C)OCCCCCF 34a_100000764384_100000729378 [0,1,0,0,0,0|1,0,1]=3 2693 B11R0.4 CCCC(C)OCCCCCF 7a_100000764384_100000729378 [0,1,0,0,0,0|1,0,1]=3 2694 B11R0.4 CCCC(C)OCCCCCI 34a_200012148887_100000766640 [0,1,0,0,0,0|1,0,1]=3 2695 B11R0.4 CCCC(C)OCCCCCI 7a_200012148887_100000766640 [0,1,0,0,0,0|1,0,1]=3 2696 B11R0.4 CCCC(C)OCCCCCN 34a_100000762737_100000766640 [0,1,0,0,0,0|1,0,1]=3 2697 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [0,1,0,0,0,0|1,0,1]=3 2698 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [0,1,0,0,0,0|1,0,1]=3 2699 B11R0.4 CCCC(C)OCCCCOC 34a_100000740925_100000766640 [0,1,0,0,0,0|1,0,1]=3 2700 B11R0.4 CCCC(C)OCCCCOC 34a_100000764384_100000755781 [0,1,0,0,0,0|1,0,1]=3 2701 B11R0.4 CCCC(C)OCCCCOC 7a_100000764384_100000730899 [0,1,0,0,0,0|1,0,1]=3 2702 B11R0.4 CCCC(C)OCCCCSC 34a_100011217163_100000766640 [0,1,0,0,0,0|1,0,1]=3 2703 B11R0.4 CCCC(C)OCCCCSC 7a_100011217163_100000766640 [0,1,0,0,0,0|1,0,1]=3 2704 B11R0.4 CCCC(C)OCCCOCC 34a_100000757476_100000766640 [0,1,0,0,0,0|1,0,1]=3 2705 B11R0.4 CCCC(C)OCCCOCC 34a_100000764384_100012232248 [0,1,0,0,0,0|1,0,1]=3 2706 B11R0.4 CCCC(C)OCCCOCC 7a_100000757476_100000766640 [0,1,0,0,0,0|1,0,1]=3 2707 B11R0.4 CCCC(C)OCCCOCC 7a_100000764384_100012232248 [0,1,0,0,0,0|1,0,1]=3 2708 B11R0.4 CCCC(C)OCCCSCC 34a_100011216438_100000766640 [0,1,0,0,0,0|1,0,1]=3 2709 B11R0.4 CCCC(C)OCCCSCC 7a_100011216438_100000766640 [0,1,0,0,0,0|1,0,1]=3 2710 B11R0.4 CCCC(C)OCCOCCBr 34a_100000692535_100000766640 [0,1,0,0,0,0|2,0,1]=4 2711 B11R0.4 CCCC(C)OCCOCCBr 7a_100000692535_100000766640 [0,1,0,0,0,0|2,0,1]=4 2712 B11R0.4 CCCC(C)OCCOCCCl 34a_100011215305_100000766640 [0,1,0,0,0,0|2,0,1]=4 2713 B11R0.4 CCCC(C)OCCOCCCl 7a_100011215305_100000766640 [0,1,0,0,0,0|2,0,1]=4 2714 B11R0.4 CCCC(C)OCCOCCF 34a_200015357709_100000766640 [0,1,0,0,0,0|2,0,1]=4 2715 B11R0.4 CCCC(C)OCCOCCF 7a_200015357709_100000766640 [0,1,0,0,0,0|2,0,1]=4 2716 B11R0.4 CCCC(C)OCCOCCI 34a_100012149058_100000766640 [0,1,0,0,0,0|2,0,1]=4 2717 B11R0.4 CCCC(C)OCCOCCI 7a_100012149058_100000766640 [0,1,0,0,0,0|2,0,1]=4 2718 B11R0.4 CCCC(C)OCCOCCN 34a_100000211614_100000766640 [0,1,0,0,0,0|2,0,1]=4 2719 B11R0.4 CCCC(C)OCCOCCO 34a_100000764384_100000692535 [0,1,0,0,0,0|2,0,1]=4 2720 B11R0.4 CCCC(C)OCCOCCO 7a_100000764384_100011215305 [0,1,0,0,0,0|2,0,1]=4 2721 B11R0.4 CCCC(C)SCCCCCF 62a_100000729378_100000766640 [0,1,0,0,0,0|1,1,1]=4 2722 B11R0.4 CCCC(C)SCCCCCF 62a_100000766640_100000729378 [0,1,0,0,0,0|1,1,1]=4 2723 B11R0.4 CCCC(C)SCCCCCO 62a_100000746330_100000766640 [0,1,0,0,0,0|1,1,1]=4 2724 B11R0.4 CCCC(C)SCCCCCO 62a_100000766640_100000746330 [0,1,0,0,0,0|1,1,1]=4 2725 B11R0.4 CCCC(C)SCCCCOC 62a_100000730899_100000766640 [0,1,0,0,0,0|1,1,1]=4 2726 B11R0.4 CCCC(C)SCCCCOC 62a_100000766640_100000730899 [0,1,0,0,0,0|1,1,1]=4 2727 B11R0.4 CCCC(C)SCCCOCC 62a_100000766640_100012232248 [0,1,0,0,0,0|1,1,1]=4 2728 B11R0.4 CCCC(C)SCCCOCC 62a_100012232248_100000766640 [0,1,0,0,0,0|1,1,1]=4 2729 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [0,1,0,0,0,0|1,0,1]=3 2730 B11R0.4 CCCC/C=C/CC(=O)CCF 1458a_200016282684_100011217306 [0,1,0,0,0,0|2,0,1]=4 2731 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,1,0,0,0,0|2,0,1]=4 2732 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [0,1,0,0,0,0|2,0,1]=4 2733 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [0,1,0,0,0,0|2,0,1]=4 2734 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [0,1,0,0,0,0|2,0,1]=4 2735 B11R0.4 CCCCC=NNC(=O)CCC 4a_100000189770_100000210104 [0,1,0,0,0,0|1,0,1]=3 2736 B11R0.4 CCCCC=NNC(=O)COC 4a_100000216845_100000210104 [0,1,0,0,0,0|2,0,1]=4 2737 B11R0.4 CCCCCC#CC(=O)CC#N 1458a_100011215388_100011214920 [0,1,0,0,0,0|2,0,1]=4 2738 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [0,1,0,0,0,0|1,0,0]=2 2739 B11R0.4 CCCCCC#CC(=O)CCF 1458a_100011215388_100011217306 [0,1,0,0,0,0|2,0,0]=3 2740 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,1,0,0,0,0|2,0,0]=3 2741 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [0,1,0,0,0,0|2,0,0]=3 2742 B11R0.4 CCCCCC#CC(=O)NNC 22a_100016993582_100011215388 [0,1,0,0,0,0|3,0,0]=4 2743 B11R0.4 CCCCCC=CC(=O)CC#N 1458a_100016263427_100011214920 [0,1,0,0,0,0|2,0,1]=4 2744 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,1,0,0,0,0|1,0,0]=2 2745 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,1,0,0,0,0|2,0,0]=3 2746 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,1,0,0,0,0|2,0,0]=3 2747 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,1,0,0,0,0|2,0,0]=3 2748 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,1,0,0,0,0|2,0,0]=3 2749 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [0,1,0,0,0,0|3,0,0]=4 2750 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,1,0,0,0,0|2,0,1]=4 2751 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,1,0,0,0,0|2,0,1]=4 2752 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,1,0,0,0,0|1,0,0]=2 2753 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,1,0,0,0,0|1,0,0]=2 2754 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,1,0,0,0,0|2,0,0]=3 2755 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,1,0,0,0,0|2,0,0]=3 2756 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,1,0,0,0,0|2,0,0]=3 2757 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,1,0,0,0,0|2,0,0]=3 2758 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,1,0,0,0,0|2,0,0]=3 2759 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,1,0,0,0,0|2,0,0]=3 2760 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,1,0,0,0,0|2,0,0]=3 2761 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,1,0,0,0,0|2,0,0]=3 2762 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,1,0,0,0,0|3,0,0]=4 2763 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,1,0,0,0,0|3,0,0]=4 2764 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,1,0,0,0,0|3,0,0]=4 2765 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,1,0,0,0,0|3,0,0]=4 2766 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,1,0,0,0,0|3,0,0]=4 2767 B11R0.4 CCCCCCNC(=O)CC#N 1626a_100000210581_100051588842 [0,1,0,0,0,0|2,0,1]=4 2768 B11R0.4 CCCCCCNC(=O)CC#N 240690a_100000210581_100051588842 [0,1,0,0,0,0|2,0,1]=4 2769 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,1,0,0,0,0|1,0,0]=2 2770 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,1,0,0,0,0|1,0,0]=2 2771 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,1,0,0,0,0|1,0,0]=2 2772 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,1,0,0,0,0|1,0,0]=2 2773 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,1,0,0,0,0|2,0,0]=3 2774 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,1,0,0,0,0|2,0,0]=3 2775 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,1,0,0,0,0|2,0,0]=3 2776 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,1,0,0,0,0|2,0,0]=3 2777 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,1,0,0,0,0|2,0,0]=3 2778 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,1,0,0,0,0|2,0,0]=3 2779 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,1,0,0,0,0|2,0,0]=3 2780 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,1,0,0,0,0|2,0,0]=3 2781 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,1,0,0,0,0|2,0,0]=3 2782 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,1,0,0,0,0|2,0,0]=3 2783 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,1,0,0,0,0|2,0,0]=3 2784 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,1,0,0,0,0|2,0,0]=3 2785 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,1,0,0,0,0|2,0,0]=3 2786 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,1,0,0,0,0|2,0,0]=3 2787 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,1,0,0,0,0|2,0,0]=3 2788 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,1,0,0,0,0|2,0,0]=3 2789 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,1,0,0,0,0|2,0,0]=3 2790 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,1,0,0,0,0|2,0,0]=3 2791 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,1,0,0,0,0|2,0,0]=3 2792 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,1,0,0,0,0|2,0,0]=3 2793 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,1,0,0,0,0|2,0,0]=3 2794 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [0,1,0,0,0,0|3,0,0]=4 2795 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [0,1,0,0,0,0|3,0,0]=4 2796 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [0,1,0,0,0,0|3,0,0]=4 2797 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [0,1,0,0,0,0|2,0,1]=4 2798 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [0,1,0,0,0,0|2,0,1]=4 2799 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [0,1,0,0,0,0|2,0,1]=4 2800 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [0,1,0,0,0,0|2,0,1]=4 2801 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,1,0,0,0,0|1,0,1]=3 2802 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,1,0,0,0,0|1,0,1]=3 2803 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,1,0,0,0,0|1,0,1]=3 2804 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,1,0,0,0,0|1,0,1]=3 2805 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,1,0,0,0,0|2,0,1]=4 2806 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,1,0,0,0,0|2,0,1]=4 2807 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,1,0,0,0,0|2,0,1]=4 2808 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,1,0,0,0,0|2,0,1]=4 2809 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,1,0,0,0,0|2,0,1]=4 2810 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [0,1,0,0,0,0|1,1,1]=4 2811 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [0,1,0,0,0,0|1,1,1]=4 2812 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,1,0,0,0,0|1,0,0]=2 2813 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,1,0,0,0,0|2,0,0]=3 2814 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,1,0,0,0,0|2,0,0]=3 2815 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,1,0,0,0,0|3,0,0]=4 2816 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,1,0,0,0,0|2,0,0]=3 2817 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [0,1,0,0,0,0|2,0,1]=4 2818 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [0,1,0,0,0,0|2,0,1]=4 2819 B11R0.4 CCCCCNN=C(C)CCC 4a_100000694160_100000211909 [0,1,0,0,0,0|2,0,0]=3 2820 B11R0.4 CCCCCNN=C(C)COC 4a_100000694160_100000749346 [0,1,0,0,0,0|3,0,0]=4 2821 B11R0.4 CCCCCNN=C(C)CSC 4a_100000694160_100011216314 [0,1,0,0,0,0|3,0,0]=4 2822 B11R0.4 CCCCCNNC(=O)CC#N 22a_100000694160_100051588842 [0,1,0,0,0,0|2,0,1]=4 2823 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [0,1,0,0,0,0|1,0,0]=2 2824 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,1,0,0,0,0|2,0,0]=3 2825 B11R0.4 CCCCCNNC(=O)COC 22a_100000694160_100000210968 [0,1,0,0,0,0|2,0,0]=3 2826 B11R0.4 CCCCCNNC(=O)CSC 22a_100000694160_100000184570 [0,1,0,0,0,0|2,0,0]=3 2827 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [0,1,0,0,0,0|2,0,0]=3 2828 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [0,1,0,0,0,0|2,0,0]=3 2829 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [0,1,0,0,0,0|2,0,0]=3 2830 B11R0.4 CCCCCNNC(=O)NNC 512a_100000694160_100016993582 [0,1,0,0,0,0|3,0,0]=4 2831 B11R0.4 CCCCCNNC(=O)NNC 512a_100016993582_100000694160 [0,1,0,0,0,0|3,0,0]=4 2832 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,1,0,0,0,0|0,0,0]=1 2833 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,1,0,0,0,0|1,0,0]=2 2834 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,1,0,0,0,0|1,0,0]=2 2835 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,1,0,0,0,0|2,0,0]=3 2836 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,1,0,0,0,0|2,0,0]=3 2837 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,1,0,0,0,0|1,0,0]=2 2838 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,1,0,0,0,0|1,0,0]=2 2839 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [0,1,0,0,0,0|1,0,1]=3 2840 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [0,1,0,0,0,0|1,0,1]=3 2841 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [0,1,0,0,0,0|1,0,1]=3 2842 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [0,1,0,0,0,0|1,0,1]=3 2843 B11R0.4 CCCCCOCC(C)CCN 34a_106354213184_100000718602 [0,1,0,0,0,0|2,0,1]=4 2844 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [0,1,0,0,0,0|2,0,1]=4 2845 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [0,1,0,0,0,0|1,0,2]=4 2846 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [0,1,0,0,0,0|1,0,2]=4 2847 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [0,1,0,0,0,0|1,0,1]=3 2848 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,1,0,0,0,0|0,1,0]=2 2849 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,1,0,0,0,0|0,1,0]=2 2850 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,1,0,0,0,0|1,1,0]=3 2851 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,1,0,0,0,0|1,1,0]=3 2852 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,1,0,0,0,0|2,1,0]=4 2853 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,1,0,0,0,0|2,1,0]=4 2854 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,1,0,0,0,0|1,1,0]=3 2855 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,1,0,0,0,0|1,1,0]=3 2856 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [0,1,0,0,0,0|1,1,1]=4 2857 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [0,1,0,0,0,0|1,1,1]=4 2858 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,1,0,0,0,0|2,0,0]=3 2859 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,1,0,0,0,0|2,0,0]=3 2860 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,1,0,0,0,0|2,0,0]=3 2861 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,1,0,0,0,0|2,0,0]=3 2862 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,1,0,0,0,0|2,0,0]=3 2863 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,1,0,0,0,0|0,0,0]=1 2864 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [0,1,0,0,0,0|3,0,0]=4 2865 B11R0.4 CCCCOCCC(=O)CC#N 1458a_100051588842_100000743108 [0,1,0,0,0,0|2,0,1]=4 2866 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,1,0,0,0,0|1,0,0]=2 2867 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,1,0,0,0,0|2,0,0]=3 2868 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,1,0,0,0,0|2,0,0]=3 2869 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [0,1,0,0,0,0|2,0,0]=3 2870 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,1,0,0,0,0|2,0,0]=3 2871 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,1,0,0,0,0|2,0,0]=3 2872 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,1,0,0,0,0|2,0,0]=3 2873 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [0,1,0,0,0,0|2,0,1]=4 2874 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [0,1,0,0,0,0|2,0,1]=4 2875 B11R0.4 CCCCOCCN(C)CCC 2230a_100000747261_100000743108 [0,1,0,0,0,0|3,0,0]=4 2876 B11R0.4 CCCCOCCN(C)CCC 269982a_100000747261_100000743108 [0,1,0,0,0,0|3,0,0]=4 2877 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [0,1,0,0,0,0|2,0,1]=4 2878 B11R0.4 CCCCOCNC(C)CCC 2230a_100000741246_100011995733 [0,1,0,0,0,0|2,0,1]=4 2879 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,1,0,0,0,0|0,0,0]=1 2880 B11R0.4 CCCCOCOC(C)CCBr 34a_100012276601_100011995733 [0,1,0,0,0,0|2,0,1]=4 2881 B11R0.4 CCCCOCOC(C)CCC 34a_100000764384_100011995733 [0,1,0,0,0,0|1,0,1]=3 2882 B11R0.4 CCCCOCO[C@H](C)COC 34a_100011934205_100011995733 [0,1,0,0,0,0|2,0,1]=4 2883 B11R0.4 CCCCOCSC(C)CCC 62a_100000766640_100011995733 [0,1,0,0,0,0|1,1,1]=4 2884 B11R0.4 CCCCOCSC(C)CCC 62a_100011995733_100000766640 [0,1,0,0,0,0|1,1,1]=4 2885 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,1,0,0,0,0|2,0,0]=3 2886 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,1,0,0,0,0|2,0,0]=3 2887 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,1,0,0,0,0|2,0,0]=3 2888 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,1,0,0,0,0|2,0,0]=3 2889 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,1,0,0,0,0|0,0,0]=1 2890 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,1,0,0,0,0|1,0,0]=2 2891 B11R0.4 CCCN(C)CCCCCCF 2230a_100000747261_100015922095 [0,1,0,0,0,0|3,0,0]=4 2892 B11R0.4 CCCN(C)CCCCCCF 269982a_100000747261_100015922095 [0,1,0,0,0,0|3,0,0]=4 2893 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [0,1,0,0,0,0|3,0,0]=4 2894 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [0,1,0,0,0,0|3,0,0]=4 2895 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [0,1,0,0,0,0|2,0,1]=4 2896 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,1,0,0,0,0|2,0,0]=3 2897 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,1,0,0,0,0|2,0,0]=3 2898 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [0,1,0,0,0,0|2,0,1]=4 2899 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [0,1,0,0,0,0|2,0,1]=4 2900 B11R0.4 CCCOCCNC(=O)CC#N 1626a_100161115042_100051588842 [0,1,0,0,0,0|2,0,1]=4 2901 B11R0.4 CCCOCCNC(=O)CC#N 240690a_100161115042_100051588842 [0,1,0,0,0,0|2,0,1]=4 2902 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,1,0,0,0,0|1,0,0]=2 2903 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,1,0,0,0,0|1,0,0]=2 2904 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,1,0,0,0,0|1,0,0]=2 2905 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,1,0,0,0,0|2,0,0]=3 2906 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,1,0,0,0,0|2,0,0]=3 2907 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,1,0,0,0,0|2,0,0]=3 2908 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,1,0,0,0,0|2,0,0]=3 2909 B11R0.4 CCCOCCNC(=O)CSC 1626a_100161115042_100000184570 [0,1,0,0,0,0|2,0,0]=3 2910 B11R0.4 CCCOCCNC(=O)CSC 240690a_100161115042_100000184570 [0,1,0,0,0,0|2,0,0]=3 2911 B11R0.4 CCCOCCNC(=O)CSC 527a_100161115042_100000184570 [0,1,0,0,0,0|2,0,0]=3 2912 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [0,1,0,0,0,0|2,0,0]=3 2913 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [0,1,0,0,0,0|2,0,0]=3 2914 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [0,1,0,0,0,0|2,0,0]=3 2915 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [0,1,0,0,0,0|2,0,0]=3 2916 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [0,1,0,0,0,0|2,0,0]=3 2917 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [0,1,0,0,0,0|2,0,0]=3 2918 B11R0.4 CCCOCCNC(=O)NNC 273464a_100161115042_100016993582 [0,1,0,0,0,0|3,0,0]=4 2919 B11R0.4 CCCOCCNC(=O)NNC 512a_100016993582_100161115042 [0,1,0,0,0,0|3,0,0]=4 2920 B11R0.4 CCCOCCNC(=O)NNC 512a_100161115042_100016993582 [0,1,0,0,0,0|3,0,0]=4 2921 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,1,0,0,0,0|2,0,0]=3 2922 B11R0.4 CCCOCCNC(C)CCC 2230a_100000741246_100011215938 [0,1,0,0,0,0|2,0,1]=4 2923 B11R0.4 CCCOCCNC(C)CCC 2230a_100161115042_100000766640 [0,1,0,0,0,0|2,0,1]=4 2924 B11R0.4 CCCOCCNC(C)CCC 270004a_100161115042_100000211909 [0,1,0,0,0,0|2,0,1]=4 2925 B11R0.4 CCCOCCNC(C)CCC 34a_100161115042_100000766640 [0,1,0,0,0,0|2,0,1]=4 2926 B11R0.4 CCCOCCOC(C)CCBr 34a_100012276601_100011215938 [0,1,0,0,0,0|2,0,1]=4 2927 B11R0.4 CCCOCCOC(C)CCC 34a_100000752267_100000766640 [0,1,0,0,0,0|1,0,1]=3 2928 B11R0.4 CCCOCCOC(C)CCC 34a_100000764384_100011215938 [0,1,0,0,0,0|1,0,1]=3 2929 B11R0.4 CCCOCCOC(C)CCC 7a_100000752267_100000766640 [0,1,0,0,0,0|1,0,1]=3 2930 B11R0.4 CCCOCCOC(C)CCC 7a_100000764384_100011215938 [0,1,0,0,0,0|1,0,1]=3 2931 B11R0.4 CCCOCCOC(C)CCO 34a_100000752267_100009893172 [0,1,0,0,0,0|2,0,1]=4 2932 B11R0.4 CCCOCCOC(C)CCO 7a_100000752267_100009893172 [0,1,0,0,0,0|2,0,1]=4 2933 B11R0.4 CCCOCCOC(C)COC 34a_100000752267_100000765312 [0,1,0,0,0,0|2,0,1]=4 2934 B11R0.4 CCCOCCOC(C)COC 7a_100000752267_100000765312 [0,1,0,0,0,0|2,0,1]=4 2935 B11R0.4 CCCOCCO[C@H](C)COC 34a_100011934205_100011215938 [0,1,0,0,0,0|2,0,1]=4 2936 B11R0.4 CCCOCCSC(C)CCC 62a_100000766640_100011215938 [0,1,0,0,0,0|1,1,1]=4 2937 B11R0.4 CCCOCCSC(C)CCC 62a_100011215938_100000766640 [0,1,0,0,0,0|1,1,1]=4 2938 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [0,1,0,0,0,0|2,0,1]=4 2939 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [0,1,0,0,0,0|2,0,1]=4 2940 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,1,0,0,0,0|2,0,0]=3 2941 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,1,0,0,0,0|2,0,0]=3 2942 B11R0.4 CCCSCCNC(=O)CC#N 240690a_100020603323_100051588842 [0,1,0,0,0,0|2,0,1]=4 2943 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,1,0,0,0,0|1,0,0]=2 2944 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,1,0,0,0,0|1,0,0]=2 2945 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,1,0,0,0,0|1,0,0]=2 2946 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,1,0,0,0,0|2,0,0]=3 2947 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,1,0,0,0,0|2,0,0]=3 2948 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,1,0,0,0,0|2,0,0]=3 2949 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,1,0,0,0,0|2,0,0]=3 2950 B11R0.4 CCCSCCNC(=O)CSC 11a_100020603323_100000184570 [0,1,0,0,0,0|2,0,0]=3 2951 B11R0.4 CCCSCCNC(=O)CSC 240690a_100020603323_100000184570 [0,1,0,0,0,0|2,0,0]=3 2952 B11R0.4 CCCSCCNC(=O)CSC 527a_100020603323_100000184570 [0,1,0,0,0,0|2,0,0]=3 2953 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [0,1,0,0,0,0|2,0,0]=3 2954 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [0,1,0,0,0,0|2,0,0]=3 2955 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [0,1,0,0,0,0|2,0,0]=3 2956 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [0,1,0,0,0,0|2,0,0]=3 2957 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [0,1,0,0,0,0|2,0,0]=3 2958 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [0,1,0,0,0,0|2,0,0]=3 2959 B11R0.4 CCCSCCNC(=O)NNC 273464a_100020603323_100016993582 [0,1,0,0,0,0|3,0,0]=4 2960 B11R0.4 CCCSCCNC(=O)NNC 512a_100016993582_100020603323 [0,1,0,0,0,0|3,0,0]=4 2961 B11R0.4 CCCSCCNC(=O)NNC 512a_100020603323_100016993582 [0,1,0,0,0,0|3,0,0]=4 2962 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,1,0,0,0,0|2,0,0]=3 2963 B11R0.4 CCCSCCNC(C)CCC 2230a_100020603323_100000766640 [0,1,0,0,0,0|2,0,1]=4 2964 B11R0.4 CCCSCCNC(C)CCC 270004a_100020603323_100000211909 [0,1,0,0,0,0|2,0,1]=4 2965 B11R0.4 CCCSCCOC(C)CCC 34a_200000230433_100000766640 [0,1,0,0,0,0|1,0,1]=3 2966 B11R0.4 CCCSCCOC(C)CCC 7a_200000230433_100000766640 [0,1,0,0,0,0|1,0,1]=3 2967 B11R0.4 CCCSCCOC(C)CCO 34a_200000230433_100009893172 [0,1,0,0,0,0|2,0,1]=4 2968 B11R0.4 CCCSCCOC(C)CCO 7a_200000230433_100009893172 [0,1,0,0,0,0|2,0,1]=4 2969 B11R0.4 CCCSCCOC(C)COC 34a_200000230433_100000765312 [0,1,0,0,0,0|2,0,1]=4 2970 B11R0.4 CCCSCCOC(C)COC 7a_200000230433_100000765312 [0,1,0,0,0,0|2,0,1]=4 2971 B11R0.4 CCC[C@H](N)COCCCCF 34a_100000732646_100000729493 [0,1,0,0,0,0|2,0,1]=4 2972 B11R0.4 CCC[C@H](N)COCCCCO 34a_100000732646_100011216708 [0,1,0,0,0,0|2,0,1]=4 2973 B11R0.4 CCC[C@H](N)COCCCOC 34a_100000732646_100000740836 [0,1,0,0,0,0|2,0,1]=4 2974 B11R0.4 CCC[C@H](N)COCCOCC 34a_100000732646_100000210147 [0,1,0,0,0,0|2,0,1]=4 2975 B11R0.4 CCC[C@H](N)COCCSCC 34a_100000732646_100000757381 [0,1,0,0,0,0|2,0,1]=4 2976 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,1,0,0,0,0|2,0,0]=3 2977 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,1,0,0,0,0|2,0,0]=3 2978 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,1,0,0,0,0|2,0,0]=3 2979 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,1,0,0,0,0|2,0,0]=3 2980 B11R0.4 CCNC(=O)CCNCCCF 2230a_100015189416_100000737597 [0,1,0,0,0,0|3,0,0]=4 2981 B11R0.4 CCNC(=O)CCNCCCF 34a_100025743525_100011934791 [0,1,0,0,0,0|3,0,0]=4 2982 B11R0.4 CCNC(=O)CCNCCCO 34a_100025743525_100000230001 [0,1,0,0,0,0|3,0,0]=4 2983 B11R0.4 CCNC(=O)CCNCCOC 2230a_100000209980_100000737597 [0,1,0,0,0,0|3,0,0]=4 2984 B11R0.4 CCNC(=O)CCNCCOC 34a_100025743525_100011201679 [0,1,0,0,0,0|3,0,0]=4 2985 B11R0.4 CCNC(=O)CCNCCSC 2230a_100020590264_100000737597 [0,1,0,0,0,0|3,0,0]=4 2986 B11R0.4 CCNC(=O)CCNCCSC 34a_100025743525_100000212216 [0,1,0,0,0,0|3,0,0]=4 2987 B11R0.4 CCNC(=O)CCOCCOC 11a_100015525214_100000745395 [0,1,0,0,0,0|3,0,0]=4 2988 B11R0.4 CCNC(=O)CCOCCOC 240690a_100015525214_100000745395 [0,1,0,0,0,0|3,0,0]=4 2989 B11R0.4 CCNC(=O)CCOCCOC 527a_100015525214_100000745395 [0,1,0,0,0,0|3,0,0]=4 2990 B11R0.4 CCNC(=O)CCOCCSC 7a_100000230434_100000737597 [0,1,0,0,0,0|3,0,0]=4 2991 B11R0.4 CCNC(=O)CCSCCCF 62a_100000737597_100011934791 [0,1,0,0,0,0|3,0,0]=4 2992 B11R0.4 CCNC(=O)CCSCCCF 62a_100011934791_100000737597 [0,1,0,0,0,0|3,0,0]=4 2993 B11R0.4 CCNC(=O)CCSCCCO 62a_100000737597_100011215043 [0,1,0,0,0,0|3,0,0]=4 2994 B11R0.4 CCNC(=O)CCSCCCO 62a_100011215043_100000737597 [0,1,0,0,0,0|3,0,0]=4 2995 B11R0.4 CCNC(=O)CCSCCOC 62a_100000233755_100000737597 [0,1,0,0,0,0|3,0,0]=4 2996 B11R0.4 CCNC(=O)CCSCCOC 62a_100000737597_100000233755 [0,1,0,0,0,0|3,0,0]=4 2997 B11R0.4 CCNC(=O)CCSCCSC 62a_100000212216_100000737597 [0,1,0,0,0,0|3,0,0]=4 2998 B11R0.4 CCNC(=O)CCSCCSC 62a_100000737597_100000751147 [0,1,0,0,0,0|3,0,0]=4 2999 B11R0.4 CCNC(=O)CCSCOCC 62a_100000737597_100000739092 [0,1,0,0,0,0|3,0,0]=4 3000 B11R0.4 CCNC(=O)CCSCOCC 62a_100000739092_100000737597 [0,1,0,0,0,0|3,0,0]=4 3001 B11R0.4 CCNC(=O)CNCCCCF 2230a_100016988866_100000729493 [0,1,0,0,0,0|3,0,0]=4 3002 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [0,1,0,0,0,0|3,0,0]=4 3003 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [0,1,0,0,0,0|3,0,0]=4 3004 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [0,1,0,0,0,0|3,0,0]=4 3005 B11R0.4 CCNC(=O)CNCCCOC 2230a_100016988866_100000740836 [0,1,0,0,0,0|3,0,0]=4 3006 B11R0.4 CCNC(=O)CNCCCOC 34a_100150723488_100000183381 [0,1,0,0,0,0|3,0,0]=4 3007 B11R0.4 CCNC(=O)CNCCCSC 2230a_100000749238_100000183381 [0,1,0,0,0,0|3,0,0]=4 3008 B11R0.4 CCNC(=O)CNCCOCC 2230a_100016988866_100011215890 [0,1,0,0,0,0|3,0,0]=4 3009 B11R0.4 CCNC(=O)CNCCOCC 2230a_102516460346_100000183381 [0,1,0,0,0,0|3,0,0]=4 3010 B11R0.4 CCNC(=O)CNCCOCC 34a_102516460346_100000183381 [0,1,0,0,0,0|3,0,0]=4 3011 B11R0.4 CCNC(=O)CNCCSCC 2230a_100000106463_100000183381 [0,1,0,0,0,0|3,0,0]=4 3012 B11R0.4 CCNC(=O)CNCCSCC 2230a_100016988866_100000757381 [0,1,0,0,0,0|3,0,0]=4 3013 B11R0.4 CCNC(=O)COCCCCBr 34a_100011216708_100000183381 [0,1,0,0,0,0|2,0,0]=3 3014 B11R0.4 CCNC(=O)COCCCCCl 34a_100000210776_100000183381 [0,1,0,0,0,0|2,0,0]=3 3015 B11R0.4 CCNC(=O)COCCCCCl 7a_100000210776_100000183381 [0,1,0,0,0,0|2,0,0]=3 3016 B11R0.4 CCNC(=O)COCCCCF 34a_100011995726_100000183381 [0,1,0,0,0,0|2,0,0]=3 3017 B11R0.4 CCNC(=O)COCCCCF 7a_100011995726_100000183381 [0,1,0,0,0,0|2,0,0]=3 3018 B11R0.4 CCNC(=O)COCCCCI 34a_200012148704_100000183381 [0,1,0,0,0,0|2,0,0]=3 3019 B11R0.4 CCNC(=O)COCCCCN 34a_100000750430_100000183381 [0,1,0,0,0,0|2,0,0]=3 3020 B11R0.4 CCNC(=O)COCCCNC 34a_100000213112_100000183381 [0,1,0,0,0,0|2,0,0]=3 3021 B11R0.4 CCNC(=O)COCCCOC 34a_100000740835_100000183381 [0,1,0,0,0,0|2,0,0]=3 3022 B11R0.4 CCNC(=O)COCCCSC 34a_100000690336_100000183381 [0,1,0,0,0,0|2,0,0]=3 3023 B11R0.4 CCNC(=O)COCCCSC 7a_100000690336_100000183381 [0,1,0,0,0,0|2,0,0]=3 3024 B11R0.4 CCNC(=O)COCCOCC 34a_100000210136_100000183381 [0,1,0,0,0,0|2,0,0]=3 3025 B11R0.4 CCNC(=O)COCCOCC 7a_100000210136_100000183381 [0,1,0,0,0,0|2,0,0]=3 3026 B11R0.4 CCNC(=O)COCCSCC 34a_100000212035_100000183381 [0,1,0,0,0,0|2,0,0]=3 3027 B11R0.4 CCNC(=O)COCCSCC 7a_100000212035_100000183381 [0,1,0,0,0,0|2,0,0]=3 3028 B11R0.4 CCNC(=O)CSCCCCF 62a_100000183381_100000729493 [0,1,0,0,0,0|2,1,0]=4 3029 B11R0.4 CCNC(=O)CSCCCCF 62a_100000729493_100000183381 [0,1,0,0,0,0|2,1,0]=4 3030 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [0,1,0,0,0,0|2,1,0]=4 3031 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [0,1,0,0,0,0|2,1,0]=4 3032 B11R0.4 CCNC(=O)CSCCCOC 62a_100000183381_100000709357 [0,1,0,0,0,0|2,1,0]=4 3033 B11R0.4 CCNC(=O)CSCCCOC 62a_100000709357_100000183381 [0,1,0,0,0,0|2,1,0]=4 3034 B11R0.4 CCNC(=O)CSCCOCC 62a_100000183381_100011215890 [0,1,0,0,0,0|2,1,0]=4 3035 B11R0.4 CCNC(=O)CSCCOCC 62a_100000210147_100000183381 [0,1,0,0,0,0|2,1,0]=4 3036 B11R0.4 CCNC(=O)CSCCSCC 62a_100000183381_100000757381 [0,1,0,0,0,0|2,1,0]=4 3037 B11R0.4 CCNC(=O)CSCCSCC 62a_100000757381_100000183381 [0,1,0,0,0,0|2,1,0]=4 3038 B11R0.4 CCNC(=O)NCCCCC#N 2708a_100000751965_100015525214 [0,1,0,0,0,0|2,0,1]=4 3039 B11R0.4 CCNC(=O)NCCCCC#N 2708a_100015525214_100000751965 [0,1,0,0,0,0|2,0,1]=4 3040 B11R0.4 CCNC(=O)NCCCCC#N 273464a_100000751965_100015525214 [0,1,0,0,0,0|2,0,1]=4 3041 B11R0.4 CCNC(=O)NCCCCC#N 273464a_100015525214_100000751965 [0,1,0,0,0,0|2,0,1]=4 3042 B11R0.4 CCNC(=O)NCCCCC#N 512a_100000751965_100015525214 [0,1,0,0,0,0|2,0,1]=4 3043 B11R0.4 CCNC(=O)NCCCCC#N 512a_100015525214_100000751965 [0,1,0,0,0,0|2,0,1]=4 3044 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,1,0,0,0,0|2,0,0]=3 3045 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,1,0,0,0,0|2,0,0]=3 3046 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,1,0,0,0,0|2,0,0]=3 3047 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,1,0,0,0,0|2,0,0]=3 3048 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,1,0,0,0,0|2,0,0]=3 3049 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [0,1,0,0,0,0|2,0,0]=3 3050 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [0,1,0,0,0,0|2,0,0]=3 3051 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [0,1,0,0,0,0|2,0,0]=3 3052 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [0,1,0,0,0,0|2,0,0]=3 3053 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [0,1,0,0,0,0|2,0,0]=3 3054 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [0,1,0,0,0,0|2,0,0]=3 3055 B11R0.4 CCNC(=O)NCCOCCO 2708a_100015525214_100000211614 [0,1,0,0,0,0|3,0,0]=4 3056 B11R0.4 CCNC(=O)NCCOCCO 273464a_100000211614_100015525214 [0,1,0,0,0,0|3,0,0]=4 3057 B11R0.4 CCNC(=O)NCCOCCO 273464a_100015525214_100000211614 [0,1,0,0,0,0|3,0,0]=4 3058 B11R0.4 CCNC(=O)NCCOCCO 512a_100000211614_100015525214 [0,1,0,0,0,0|3,0,0]=4 3059 B11R0.4 CCNC(=O)NCCSCCO 2708a_100015525214_100011219999 [0,1,0,0,0,0|3,0,0]=4 3060 B11R0.4 CCNC(=O)NCCSCCO 273464a_100011219999_100015525214 [0,1,0,0,0,0|3,0,0]=4 3061 B11R0.4 CCNC(=O)NCCSCCO 273464a_100015525214_100011219999 [0,1,0,0,0,0|3,0,0]=4 3062 B11R0.4 CCNC(=O)NCCSCCO 512a_100011219999_100015525214 [0,1,0,0,0,0|3,0,0]=4 3063 B11R0.4 CCNC(=O)NCCSCCO 512a_100015525214_100011219999 [0,1,0,0,0,0|3,0,0]=4 3064 B11R0.4 CCNC(=O)NNCCCOC 273464a_100015525214_100025702787 [0,1,0,0,0,0|3,0,0]=4 3065 B11R0.4 CCNC(=O)NNCCCOC 512a_100015525214_100025702787 [0,1,0,0,0,0|3,0,0]=4 3066 B11R0.4 CCNC(=O)NNCCOCC 273464a_100015525214_100000732670 [0,1,0,0,0,0|3,0,0]=4 3067 B11R0.4 CCNC(=O)NNCCOCC 512a_100000732670_100015525214 [0,1,0,0,0,0|3,0,0]=4 3068 B11R0.4 CCNC(=O)NNCCOCC 512a_100015525214_100000732670 [0,1,0,0,0,0|3,0,0]=4 3069 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,1,0,0,0,0|2,0,0]=3 3070 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [0,1,0,0,0,0|2,0,0]=3 3071 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,1,0,0,0,0|2,0,0]=3 3072 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,1,0,0,0,0|2,0,0]=3 3073 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,1,0,0,0,0|2,0,0]=3 3074 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,1,0,0,0,0|2,0,0]=3 3075 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,1,0,0,0,0|2,0,0]=3 3076 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,1,0,0,0,0|2,0,0]=3 3077 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,1,0,0,0,0|2,0,0]=3 3078 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,1,0,0,0,0|2,0,0]=3 3079 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,1,0,0,0,0|2,0,0]=3 3080 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,1,0,0,0,0|2,0,0]=3 3081 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,1,0,0,0,0|2,0,0]=3 3082 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,1,0,0,0,0|2,0,0]=3 3083 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [0,1,0,0,0,0|3,0,0]=4 3084 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [0,1,0,0,0,0|3,0,0]=4 3085 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [0,1,0,0,0,0|3,0,0]=4 3086 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,1,0,0,0,0|3,0,0]=4 3087 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,1,0,0,0,0|3,0,0]=4 3088 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [0,1,0,0,0,0|3,0,0]=4 3089 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [0,1,0,0,0,0|3,0,0]=4 3090 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [0,1,0,0,0,0|3,0,0]=4 3091 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,1,0,0,0,0|3,0,0]=4 3092 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [0,1,0,0,0,0|3,0,0]=4 3093 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [0,1,0,0,0,0|3,0,0]=4 3094 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,1,0,0,0,0|3,0,0]=4 3095 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,1,0,0,0,0|3,0,0]=4 3096 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [0,1,0,0,0,0|3,0,0]=4 3097 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [0,1,0,0,0,0|3,0,0]=4 3098 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [0,1,0,0,0,0|3,0,0]=4 3099 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [0,1,0,0,0,0|3,0,0]=4 3100 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [0,1,0,0,0,0|3,0,0]=4 3101 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [0,1,0,0,0,0|3,0,0]=4 3102 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [0,1,0,0,0,0|3,0,0]=4 3103 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [0,1,0,0,0,0|3,0,0]=4 3104 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [0,1,0,0,0,0|3,0,0]=4 3105 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [0,1,0,0,0,0|3,0,0]=4 3106 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [0,1,0,0,0,0|3,0,0]=4 3107 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [0,1,0,0,0,0|3,0,0]=4 3108 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [0,1,0,0,0,0|3,0,0]=4 3109 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [0,1,0,0,0,0|3,0,0]=4 3110 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [0,1,0,0,0,0|3,0,0]=4 3111 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [0,1,0,0,0,0|3,0,0]=4 3112 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [0,1,0,0,0,0|3,0,0]=4 3113 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,1,0,0,0,0|3,0,0]=4 3114 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,1,0,0,0,0|3,0,0]=4 3115 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [0,1,0,0,0,0|3,0,0]=4 3116 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [0,1,0,0,0,0|3,0,0]=4 3117 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [0,1,0,0,0,0|3,0,0]=4 3118 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [0,1,0,0,0,0|3,0,0]=4 3119 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,1,0,0,0,0|3,0,0]=4 3120 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,1,0,0,0,0|3,0,0]=4 3121 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [0,1,0,0,0,0|3,0,0]=4 3122 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [0,1,0,0,0,0|3,0,0]=4 3123 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [0,1,0,0,0,0|3,0,0]=4 3124 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,1,0,0,0,0|2,0,0]=3 3125 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,1,0,0,0,0|2,0,0]=3 3126 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,1,0,0,0,0|2,0,0]=3 3127 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,1,0,0,0,0|2,0,0]=3 3128 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,1,0,0,0,0|2,0,0]=3 3129 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,1,0,0,0,0|2,0,0]=3 3130 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,1,0,0,0,0|2,0,0]=3 3131 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [0,1,0,0,0,0|2,0,0]=3 3132 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [0,1,0,0,0,0|2,0,0]=3 3133 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [0,1,0,0,0,0|2,0,0]=3 3134 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [0,1,0,0,0,0|2,0,0]=3 3135 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,1,0,0,0,0|2,0,0]=3 3136 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,1,0,0,0,0|2,0,0]=3 3137 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [0,1,0,0,0,0|2,0,0]=3 3138 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [0,1,0,0,0,0|2,0,0]=3 3139 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [0,1,0,0,0,0|2,0,0]=3 3140 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [0,1,0,0,0,0|2,0,0]=3 3141 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [0,1,0,0,0,0|2,0,0]=3 3142 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [0,1,0,0,0,0|2,0,0]=3 3143 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [0,1,0,0,0,0|2,0,0]=3 3144 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [0,1,0,0,0,0|2,0,0]=3 3145 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [0,1,0,0,0,0|2,0,0]=3 3146 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [0,1,0,0,0,0|2,0,0]=3 3147 B11R0.4 CCOC(=O)COCCSCF 62a_100000088970_100015361967 [0,1,0,0,0,0|3,0,0]=4 3148 B11R0.4 CCOC(=O)COCCSCF 62a_100015361967_100000088970 [0,1,0,0,0,0|3,0,0]=4 3149 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [0,1,0,0,0,0|2,1,0]=4 3150 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [0,1,0,0,0,0|2,1,0]=4 3151 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,1,0,0,0,0|2,1,0]=4 3152 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,1,0,0,0,0|2,1,0]=4 3153 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [0,1,0,0,0,0|2,1,0]=4 3154 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [0,1,0,0,0,0|2,1,0]=4 3155 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [0,1,0,0,0,0|2,1,0]=4 3156 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [0,1,0,0,0,0|2,1,0]=4 3157 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [0,1,0,0,0,0|3,0,0]=4 3158 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [0,1,0,0,0,0|3,0,0]=4 3159 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [0,1,0,0,0,0|3,0,0]=4 3160 B11R0.4 CCOC(=O)NCCSCCF 62a_100011217306_200011445536 [0,1,0,0,0,0|3,0,0]=4 3161 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [0,1,0,0,0,0|3,0,0]=4 3162 B11R0.4 CCOC(=O)NCCSCOC 62a_100000766300_200011445536 [0,1,0,0,0,0|3,0,0]=4 3163 B11R0.4 CCOC(=O)NCCSCSC 62a_100011218213_200011445536 [0,1,0,0,0,0|3,0,0]=4 3164 B11R0.4 CCOC(=O)OCSCCC#N 62a_100011215226_100000075025 [0,1,0,0,0,0|2,0,1]=4 3165 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [0,1,0,0,0,0|2,0,0]=3 3166 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [0,1,0,0,0,0|2,0,0]=3 3167 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [0,1,0,0,0,0|2,0,0]=3 3168 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [0,1,0,0,0,0|2,0,0]=3 3169 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,1,0,0,0,0|2,0,0]=3 3170 B11R0.4 CCOCCCNC(=O)CC#N 1626a_100000210961_100051588842 [0,1,0,0,0,0|2,0,1]=4 3171 B11R0.4 CCOCCCNC(=O)CC#N 240690a_100000210961_100051588842 [0,1,0,0,0,0|2,0,1]=4 3172 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,1,0,0,0,0|2,0,0]=3 3173 B11R0.4 CCOCCCNC(=O)COC 11a_100000210961_100000210968 [0,1,0,0,0,0|2,0,0]=3 3174 B11R0.4 CCOCCCNC(=O)COC 1626a_100000210961_100000210968 [0,1,0,0,0,0|2,0,0]=3 3175 B11R0.4 CCOCCCNC(=O)COC 240690a_100000210961_100000210968 [0,1,0,0,0,0|2,0,0]=3 3176 B11R0.4 CCOCCCNC(=O)COC 527a_100000210961_100000210968 [0,1,0,0,0,0|2,0,0]=3 3177 B11R0.4 CCOCCCNC(=O)CSC 11a_100000210961_100000184570 [0,1,0,0,0,0|2,0,0]=3 3178 B11R0.4 CCOCCCNC(=O)CSC 1626a_100000210961_100000184570 [0,1,0,0,0,0|2,0,0]=3 3179 B11R0.4 CCOCCCNC(=O)CSC 240690a_100000210961_100000184570 [0,1,0,0,0,0|2,0,0]=3 3180 B11R0.4 CCOCCCNC(=O)CSC 527a_100000210961_100000184570 [0,1,0,0,0,0|2,0,0]=3 3181 B11R0.4 CCOCCCNC(=O)NNC 273464a_100000210961_100016993582 [0,1,0,0,0,0|3,0,0]=4 3182 B11R0.4 CCOCCCNC(=O)NNC 512a_100000210961_100016993582 [0,1,0,0,0,0|3,0,0]=4 3183 B11R0.4 CCOCCCNC(=O)NNC 512a_100016993582_100000210961 [0,1,0,0,0,0|3,0,0]=4 3184 B11R0.4 CCOCCCOC(C)CCBr 34a_100012276601_100012232248 [0,1,0,0,0,0|2,0,1]=4 3185 B11R0.4 CCOCCCOC(C)CCO 34a_100000757476_100009893172 [0,1,0,0,0,0|2,0,1]=4 3186 B11R0.4 CCOCCCOC(C)CCO 7a_100000757476_100009893172 [0,1,0,0,0,0|2,0,1]=4 3187 B11R0.4 CCOCCCOC(C)COC 34a_100000757476_100000765312 [0,1,0,0,0,0|2,0,1]=4 3188 B11R0.4 CCOCCCOC(C)COC 7a_100000757476_100000765312 [0,1,0,0,0,0|2,0,1]=4 3189 B11R0.4 CCOCCCO[C@H](C)COC 34a_100011934205_100012232248 [0,1,0,0,0,0|2,0,1]=4 3190 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [0,1,0,0,0,0|3,0,0]=4 3191 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [0,1,0,0,0,0|3,0,0]=4 3192 B11R0.4 CCOCCNNC(=O)CCO 22a_100000732670_100011216618 [0,1,0,0,0,0|3,0,0]=4 3193 B11R0.4 CCOCCNNC(=O)COC 22a_100000732670_100000210968 [0,1,0,0,0,0|3,0,0]=4 3194 B11R0.4 CCOCCNNC(=O)CSC 22a_100000732670_100000184570 [0,1,0,0,0,0|3,0,0]=4 3195 B11R0.4 CCOCCOCC(=O)NCO 34a_100000210136_100000185155 [0,1,0,0,0,0|3,0,0]=4 3196 B11R0.4 CCOCCOCC(=O)NCO 7a_100000210136_100000185155 [0,1,0,0,0,0|3,0,0]=4 3197 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [0,1,0,0,0,0|2,0,0]=3 3198 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [0,1,0,0,0,0|2,0,0]=3 3199 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [0,1,0,0,0,0|2,0,0]=3 3200 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [0,1,0,0,0,0|2,1,0]=4 3201 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [0,1,0,0,0,0|2,1,0]=4 3202 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [0,1,0,0,0,0|2,1,0]=4 3203 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [0,1,0,0,0,0|3,0,0]=4 3204 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [0,1,0,0,0,0|3,0,0]=4 3205 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [0,1,0,0,0,0|2,0,0]=3 3206 B11R0.4 CCSCCCOC(C)CCO 34a_100011216438_100009893172 [0,1,0,0,0,0|2,0,1]=4 3207 B11R0.4 CCSCCCOC(C)CCO 7a_100011216438_100009893172 [0,1,0,0,0,0|2,0,1]=4 3208 B11R0.4 CCSCCCOC(C)COC 34a_100011216438_100000765312 [0,1,0,0,0,0|2,0,1]=4 3209 B11R0.4 CCSCCCOC(C)COC 7a_100011216438_100000765312 [0,1,0,0,0,0|2,0,1]=4 3210 B11R0.4 CCSCCOCC(=O)NCO 34a_100000212035_100000185155 [0,1,0,0,0,0|3,0,0]=4 3211 B11R0.4 CCSCCOCC(=O)NCO 7a_100000212035_100000185155 [0,1,0,0,0,0|3,0,0]=4 3212 B11R0.4 CNCCCOCC(=O)NCO 34a_100000213112_100000185155 [0,1,0,0,0,0|3,0,0]=4 3213 B11R0.4 CNNC(=O)CCCCCOC 22a_100016993582_100011935119 [0,1,0,0,0,0|3,0,0]=4 3214 B11R0.4 CNNC(=O)NCCCCCO 273464a_100000762737_100016993582 [0,1,0,0,0,0|3,0,0]=4 3215 B11R0.4 CNNC(=O)NCCCCCO 512a_100000762737_100016993582 [0,1,0,0,0,0|3,0,0]=4 3216 B11R0.4 CNNC(=O)NCCCCCO 512a_100016993582_100000762737 [0,1,0,0,0,0|3,0,0]=4 3217 B11R0.4 COCC(=O)CCCCCC#N 1458a_100000210968_100009813376 [0,1,0,0,0,0|2,0,1]=4 3218 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,1,0,0,0,0|2,0,0]=3 3219 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,1,0,0,0,0|2,0,0]=3 3220 B11R0.4 COCC(=O)NCCCCC#N 11a_100000751965_100000210968 [0,1,0,0,0,0|2,0,1]=4 3221 B11R0.4 COCC(=O)NCCCCC#N 1626a_100000751965_100000210968 [0,1,0,0,0,0|2,0,1]=4 3222 B11R0.4 COCC(=O)NCCCCC#N 240690a_100000751965_100000210968 [0,1,0,0,0,0|2,0,1]=4 3223 B11R0.4 COCC(=O)NCCCCC#N 527a_100000751965_100000210968 [0,1,0,0,0,0|2,0,1]=4 3224 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,1,0,0,0,0|2,0,0]=3 3225 B11R0.4 COCC(=O)NCCOCCO 240690a_100000211614_100000210968 [0,1,0,0,0,0|3,0,0]=4 3226 B11R0.4 COCC(=O)NCCSCCO 240690a_100011219999_100000210968 [0,1,0,0,0,0|3,0,0]=4 3227 B11R0.4 COCC(=O)NCCSCCO 527a_100011219999_100000210968 [0,1,0,0,0,0|3,0,0]=4 3228 B11R0.4 COCC(C)OCCCCCBr 34a_100000746331_100000765312 [0,1,0,0,0,0|2,0,1]=4 3229 B11R0.4 COCC(C)OCCCCCBr 7a_100000746331_100000765312 [0,1,0,0,0,0|2,0,1]=4 3230 B11R0.4 COCC(C)OCCCCCCl 34a_100000746330_100000765312 [0,1,0,0,0,0|2,0,1]=4 3231 B11R0.4 COCC(C)OCCCCCCl 7a_100000746330_100000765312 [0,1,0,0,0,0|2,0,1]=4 3232 B11R0.4 COCC(C)OCCCCCI 34a_200012148887_100000765312 [0,1,0,0,0,0|2,0,1]=4 3233 B11R0.4 COCC(C)OCCCCCI 7a_200012148887_100000765312 [0,1,0,0,0,0|2,0,1]=4 3234 B11R0.4 COCC(C)OCCCCCN 34a_100000762737_100000765312 [0,1,0,0,0,0|2,0,1]=4 3235 B11R0.4 COCC(C)OCCCCSC 34a_100011217163_100000765312 [0,1,0,0,0,0|2,0,1]=4 3236 B11R0.4 COCC(C)OCCCCSC 7a_100011217163_100000765312 [0,1,0,0,0,0|2,0,1]=4 3237 B11R0.4 COCCCCCC(=O)CC#N 1458a_100011935119_100011214920 [0,1,0,0,0,0|2,0,1]=4 3238 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,1,0,0,0,0|2,0,0]=3 3239 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,1,0,0,0,0|2,0,0]=3 3240 B11R0.4 COCCCCOC(C)CCBr 34a_100012276601_100000755781 [0,1,0,0,0,0|2,0,1]=4 3241 B11R0.4 COCCCCOC(C)CCO 34a_100000740925_100009893172 [0,1,0,0,0,0|2,0,1]=4 3242 B11R0.4 COCCCCOC(C)COC 34a_100000740925_100000765312 [0,1,0,0,0,0|2,0,1]=4 3243 B11R0.4 COCCCCO[C@H](C)COC 34a_100011934205_100000755781 [0,1,0,0,0,0|2,0,1]=4 3244 B11R0.4 COCCCNNC(=O)CCO 22a_100025702787_100011216618 [0,1,0,0,0,0|3,0,0]=4 3245 B11R0.4 COCCCNNC(=O)COC 22a_100025702787_100000210968 [0,1,0,0,0,0|3,0,0]=4 3246 B11R0.4 COCCCNNC(=O)CSC 22a_100025702787_100000184570 [0,1,0,0,0,0|3,0,0]=4 3247 B11R0.4 COCCCOCC(=O)NCO 34a_100000740835_100000185155 [0,1,0,0,0,0|3,0,0]=4 3248 B11R0.4 COCCOCCC(=O)CCF 1458a_100000745395_100011217306 [0,1,0,0,0,0|3,0,0]=4 3249 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [0,1,0,0,0,0|3,0,0]=4 3250 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [0,1,0,0,0,0|3,0,0]=4 3251 B11R0.4 COCCOCCC(=O)COC 1458a_100000210968_100000695917 [0,1,0,0,0,0|3,0,0]=4 3252 B11R0.4 COCCOCCC(=O)CSC 1458a_100000184570_100000695917 [0,1,0,0,0,0|3,0,0]=4 3253 B11R0.4 COC[C@@H](C)OCCCCCF 34a_100011934205_100000729378 [0,1,0,0,0,0|2,0,1]=4 3254 B11R0.4 COC[C@@H](C)OCCCCCO 34a_100011934205_100000746330 [0,1,0,0,0,0|2,0,1]=4 3255 B11R0.4 CSCC(=O)CCCCCC#N 1458a_100000184570_100009813376 [0,1,0,0,0,0|2,0,1]=4 3256 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,1,0,0,0,0|2,0,0]=3 3257 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,1,0,0,0,0|2,0,0]=3 3258 B11R0.4 CSCC(=O)NCCCCC#N 11a_100000751965_100000184570 [0,1,0,0,0,0|2,0,1]=4 3259 B11R0.4 CSCC(=O)NCCCCC#N 1626a_100000751965_100000184570 [0,1,0,0,0,0|2,0,1]=4 3260 B11R0.4 CSCC(=O)NCCCCC#N 240690a_100000751965_100000184570 [0,1,0,0,0,0|2,0,1]=4 3261 B11R0.4 CSCC(=O)NCCCCC#N 527a_100000751965_100000184570 [0,1,0,0,0,0|2,0,1]=4 3262 B11R0.4 CSCC(=O)NCCCCCO 240690a_100000762737_100000184570 [0,1,0,0,0,0|2,0,0]=3 3263 B11R0.4 CSCC(=O)NCCOCCO 240690a_100000211614_100000184570 [0,1,0,0,0,0|3,0,0]=4 3264 B11R0.4 CSCC(=O)NCCSCCO 240690a_100011219999_100000184570 [0,1,0,0,0,0|3,0,0]=4 3265 B11R0.4 CSCC(=O)NCCSCCO 527a_100011219999_100000184570 [0,1,0,0,0,0|3,0,0]=4 3266 B11R0.4 CSCCCCOC(C)CCO 34a_100011217163_100009893172 [0,1,0,0,0,0|2,0,1]=4 3267 B11R0.4 CSCCCCOC(C)CCO 7a_100011217163_100009893172 [0,1,0,0,0,0|2,0,1]=4 3268 B11R0.4 CSCCCOCC(=O)NCO 34a_100000690336_100000185155 [0,1,0,0,0,0|3,0,0]=4 3269 B11R0.4 CSCCCOCC(=O)NCO 7a_100000690336_100000185155 [0,1,0,0,0,0|3,0,0]=4 3270 B11R0.4 N#CCC(=O)CCCCCCF 1458a_100051588842_100015922095 [0,1,0,0,0,0|2,0,1]=4 3271 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100011996774_100011214920 [0,1,0,0,0,0|2,0,1]=4 3272 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100051588842_100000766143 [0,1,0,0,0,0|2,0,1]=4 3273 B11R0.4 N#CCC(=O)NCCCCCO 240690a_100000762737_100051588842 [0,1,0,0,0,0|2,0,1]=4 3274 B11R0.4 N#CCCCCCC(=O)CCO 1458a_100011216618_100009813376 [0,1,0,0,0,0|2,0,1]=4 3275 B11R0.4 N#CCCCCNC(=O)CCO 240690a_100000751965_100011216618 [0,1,0,0,0,0|2,0,1]=4 3276 B11R0.4 NCCCCOCC(=O)NCO 34a_100000750430_100000185155 [0,1,0,0,0,0|3,0,0]=4 3277 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,1,0,0,0,0|2,0,0]=3 3278 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,1,0,0,0,0|2,0,0]=3 3279 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,1,0,0,0,0|2,0,0]=3 3280 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,1,0,0,0,0|2,0,0]=3 3281 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,1,0,0,0,0|2,0,0]=3 3282 B11R0.4 O=C(CCO)NCCOCCO 240690a_100000211614_100011216618 [0,1,0,0,0,0|3,0,0]=4 3283 B11R0.4 O=C(CCO)NCCSCCO 240690a_100011219999_100011216618 [0,1,0,0,0,0|3,0,0]=4 3284 B11R0.4 O=C(COCCCCBr)NCO 34a_100011216708_100000185155 [0,1,0,0,0,0|3,0,0]=4 3285 B11R0.4 O=C(COCCCCCl)NCO 34a_100000210776_100000185155 [0,1,0,0,0,0|3,0,0]=4 3286 B11R0.4 O=C(COCCCCCl)NCO 7a_100000210776_100000185155 [0,1,0,0,0,0|3,0,0]=4 3287 B11R0.4 O=C(COCCCCF)NCO 34a_100011995726_100000185155 [0,1,0,0,0,0|3,0,0]=4 3288 B11R0.4 O=C(COCCCCF)NCO 7a_100011995726_100000185155 [0,1,0,0,0,0|3,0,0]=4 3289 B11R0.4 O=C(COCCCCI)NCO 34a_200012148704_100000185155 [0,1,0,0,0,0|3,0,0]=4 3290 B11R0.5 C#CCC(=O)NC(C)CCCC 1626a_100000126638_100011220946 [0,1,0,0,0,0|1,0,2]=4 3291 B11R0.5 C#CCC(=O)NC(C)CCCC 527a_100000126638_100011220946 [0,1,0,0,0,0|1,0,2]=4 3292 B11R0.5 C=C(CCC)CC(=O)CCCC 1458a_100000138376_100000210211 [0,1,0,0,0,0|2,0,1]=4 3293 B11R0.5 C=CCC(=O)NC(C)CCCC 11a_100000126638_100000210193 [0,1,0,0,0,0|1,0,2]=4 3294 B11R0.5 C=CCC(=O)NC(C)CCCC 1626a_100000126638_100000210193 [0,1,0,0,0,0|1,0,2]=4 3295 B11R0.5 C=CCC(=O)NC(C)CCCC 240690a_100000126638_100000210193 [0,1,0,0,0,0|1,0,2]=4 3296 B11R0.5 C=CCC(=O)NC(C)CCCC 527a_100000126638_100000210193 [0,1,0,0,0,0|1,0,2]=4 3297 B11R0.5 CC=CC(=O)NC(C)CCCC 11a_100000126638_100000210699 [0,1,0,0,0,0|1,0,2]=4 3298 B11R0.5 CC=CC(=O)NC(C)CCCC 1626a_100000126638_100000210699 [0,1,0,0,0,0|1,0,2]=4 3299 B11R0.5 CC=CC(=O)NC(C)CCCC 240690a_100000126638_100000210699 [0,1,0,0,0,0|1,0,2]=4 3300 B11R0.5 CCCC(=O)CC(=O)CCOC 1458a_100000749529_100000747444 [0,1,0,0,0,0|2,0,1]=4 3301 B11R0.5 CCCC(=O)CC(=O)CCSC 1458a_100000174002_100000747444 [0,1,0,0,0,0|2,0,1]=4 3302 B11R0.5 CCCC(=O)CC(=O)COCC 1458a_100000211967_100000747444 [0,1,0,0,0,0|2,0,1]=4 3303 B11R0.5 CCCC(=O)CC(=O)CSCC 1458a_100000230394_100000747444 [0,1,0,0,0,0|2,0,1]=4 3304 B11R0.5 CCCC(=O)CN(C)CCCO 2230a_100000213112_100000747444 [0,1,0,0,0,0|3,0,0]=4 3305 B11R0.5 CCCC(=O)CN(C)CCCO 269982a_100000213112_100000747444 [0,1,0,0,0,0|3,0,0]=4 3306 B11R0.5 CCCC(=O)CN(C)CCOC 2230a_100000743101_100000747444 [0,1,0,0,0,0|3,0,0]=4 3307 B11R0.5 CCCC(=O)CN(C)CCOC 269982a_100000743101_100000747444 [0,1,0,0,0,0|3,0,0]=4 3308 B11R0.5 CCCC(=O)CN(C)CCSC 2230a_100000686725_100000747444 [0,1,0,0,0,0|3,0,0]=4 3309 B11R0.5 CCCC(=O)CN(C)CCSC 269982a_100000686725_100000747444 [0,1,0,0,0,0|3,0,0]=4 3310 B11R0.5 CCCC(C)OC(C)CCCCl 34a_200000718107_100000766640 [0,1,0,0,0,0|2,0,1]=4 3311 B11R0.5 CCCC(C)OC(C)CCCCl 7a_200000718107_100000766640 [0,1,0,0,0,0|2,0,1]=4 3312 B11R0.5 CCCC(C)OC(C)COCC 34a_100000718985_100000766640 [0,1,0,0,0,0|2,0,1]=4 3313 B11R0.5 CCCC(C)OC(C)COCC 7a_100000718985_100000766640 [0,1,0,0,0,0|2,0,1]=4 3314 B11R0.5 CCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210211 [0,1,0,0,0,0|2,0,1]=4 3315 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [0,1,0,0,0,0|1,0,1]=3 3316 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [0,1,0,0,0,0|2,0,1]=4 3317 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [0,1,0,0,0,0|2,0,1]=4 3318 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [0,1,0,0,0,0|2,0,1]=4 3319 B11R0.5 CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210211 [0,1,0,0,0,0|2,0,1]=4 3320 B11R0.5 CCCCC(C)NC(=O)CC#N 1626a_100000126638_100051588842 [0,1,0,0,0,0|2,0,1]=4 3321 B11R0.5 CCCCC(C)NC(=O)CC#N 240690a_100000126638_100051588842 [0,1,0,0,0,0|2,0,1]=4 3322 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [0,1,0,0,0,0|1,0,0]=2 3323 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [0,1,0,0,0,0|1,0,0]=2 3324 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [0,1,0,0,0,0|1,0,0]=2 3325 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [0,1,0,0,0,0|1,0,0]=2 3326 B11R0.5 CCCCC(C)NC(=O)CCO 240690a_100000126638_100011216618 [0,1,0,0,0,0|2,0,0]=3 3327 B11R0.5 CCCCC(C)NC(=O)COC 11a_100000126638_100000210968 [0,1,0,0,0,0|2,0,0]=3 3328 B11R0.5 CCCCC(C)NC(=O)COC 1626a_100000126638_100000210968 [0,1,0,0,0,0|2,0,0]=3 3329 B11R0.5 CCCCC(C)NC(=O)COC 240690a_100000126638_100000210968 [0,1,0,0,0,0|2,0,0]=3 3330 B11R0.5 CCCCC(C)NC(=O)COC 527a_100000126638_100000210968 [0,1,0,0,0,0|2,0,0]=3 3331 B11R0.5 CCCCC(C)NC(=O)CSC 11a_100000126638_100000184570 [0,1,0,0,0,0|2,0,0]=3 3332 B11R0.5 CCCCC(C)NC(=O)CSC 1626a_100000126638_100000184570 [0,1,0,0,0,0|2,0,0]=3 3333 B11R0.5 CCCCC(C)NC(=O)CSC 240690a_100000126638_100000184570 [0,1,0,0,0,0|2,0,0]=3 3334 B11R0.5 CCCCC(C)NC(=O)CSC 527a_100000126638_100000184570 [0,1,0,0,0,0|2,0,0]=3 3335 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100000126638_100015525214 [0,1,0,0,0,0|2,0,0]=3 3336 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100015525214_100000126638 [0,1,0,0,0,0|2,0,0]=3 3337 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100000126638_100015525214 [0,1,0,0,0,0|2,0,0]=3 3338 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100015525214_100000126638 [0,1,0,0,0,0|2,0,0]=3 3339 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100000126638_100015525214 [0,1,0,0,0,0|2,0,0]=3 3340 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100015525214_100000126638 [0,1,0,0,0,0|2,0,0]=3 3341 B11R0.5 CCCCC(C)NC(=O)NNC 273464a_100000126638_100016993582 [0,1,0,0,0,0|3,0,0]=4 3342 B11R0.5 CCCCC(C)NC(=O)NNC 512a_100000126638_100016993582 [0,1,0,0,0,0|3,0,0]=4 3343 B11R0.5 CCCCC(C)NC(=O)NNC 512a_100016993582_100000126638 [0,1,0,0,0,0|3,0,0]=4 3344 B11R0.5 CCCCC(C)NC(C)CCC 2230a_100000126638_100000766640 [0,1,0,0,0,0|2,0,1]=4 3345 B11R0.5 CCCCC(C)NC(C)CCC 2230a_100000741246_200011215066 [0,1,0,0,0,0|2,0,1]=4 3346 B11R0.5 CCCCC(C)NC(C)CCC 270004a_100000126638_100000211909 [0,1,0,0,0,0|2,0,1]=4 3347 B11R0.5 CCCCC(C)NC(C)CCC 270004a_100000741246_100000210087 [0,1,0,0,0,0|2,0,1]=4 3348 B11R0.5 CCCCC(C)OC(C)CCBr 34a_100012276601_200011215066 [0,1,0,0,0,0|2,0,1]=4 3349 B11R0.5 CCCCC(C)OC(C)CCC 34a_100000687866_100000766640 [0,1,0,0,0,0|1,0,1]=3 3350 B11R0.5 CCCCC(C)OC(C)CCC 34a_100000764384_200011215066 [0,1,0,0,0,0|1,0,1]=3 3351 B11R0.5 CCCCC(C)OC(C)CCC 7a_100000687866_100000766640 [0,1,0,0,0,0|1,0,1]=3 3352 B11R0.5 CCCCC(C)OC(C)CCC 7a_100000764384_200011215066 [0,1,0,0,0,0|1,0,1]=3 3353 B11R0.5 CCCCC(C)OC(C)CCO 34a_100000687866_100009893172 [0,1,0,0,0,0|2,0,1]=4 3354 B11R0.5 CCCCC(C)OC(C)CCO 7a_100000687866_100009893172 [0,1,0,0,0,0|2,0,1]=4 3355 B11R0.5 CCCCC(C)OC(C)COC 34a_100000687866_100000765312 [0,1,0,0,0,0|2,0,1]=4 3356 B11R0.5 CCCCC(C)OC(C)COC 7a_100000687866_100000765312 [0,1,0,0,0,0|2,0,1]=4 3357 B11R0.5 CCCCC(C)O[C@H](C)COC 34a_100011934205_200011215066 [0,1,0,0,0,0|2,0,1]=4 3358 B11R0.5 CCCCC(C)SC(C)CCC 62a_100000766640_200011215066 [0,1,0,0,0,0|1,1,1]=4 3359 B11R0.5 CCCCC(C)SC(C)CCC 62a_200011215066_100000766640 [0,1,0,0,0,0|1,1,1]=4 3360 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [0,1,0,0,0,0|2,0,0]=3 3361 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [0,1,0,0,0,0|2,0,0]=3 3362 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000207549_100000183381 [0,1,0,0,0,0|3,0,0]=4 3363 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000741943_100000210211 [0,1,0,0,0,0|3,0,0]=4 3364 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000207549_100000183381 [0,1,0,0,0,0|3,0,0]=4 3365 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000741943_100000210211 [0,1,0,0,0,0|3,0,0]=4 3366 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [0,1,0,0,0,0|3,0,0]=4 3367 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [0,1,0,0,0,0|3,0,0]=4 3368 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [0,1,0,0,0,0|3,0,0]=4 3369 B11R0.5 CCCNC(=O)CC(=O)CCC 1458a_100000211992_100000183358 [0,1,0,0,0,0|2,0,1]=4 3370 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [0,1,0,0,0,0|2,0,1]=4 3371 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [0,1,0,0,0,0|3,0,0]=4 3372 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [0,1,0,0,0,0|3,0,0]=4 3373 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [0,1,0,0,0,0|3,0,0]=4 3374 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [0,1,0,0,0,0|2,0,0]=3 3375 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [0,1,0,0,0,0|2,0,0]=3 3376 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [0,1,0,0,0,0|3,0,0]=4 3377 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [0,1,0,0,0,0|3,0,0]=4 3378 B11R0.5 CCOC(=O)OC(C)SCCF 62a_100000036008_100011217306 [0,1,0,0,0,0|3,0,0]=4 3379 B11R0.5 CCOC(=O)OC(C)SCCF 62a_100011217306_100000036008 [0,1,0,0,0,0|3,0,0]=4 3380 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000036008_100000211926 [0,1,0,0,0,0|3,0,0]=4 3381 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000211926_100000036008 [0,1,0,0,0,0|3,0,0]=4 3382 B11R0.5 CCOC(=O)OC(C)SCOC 62a_100000036008_100000766300 [0,1,0,0,0,0|3,0,0]=4 3383 B11R0.5 CCOC(=O)OC(C)SCOC 62a_100000766300_100000036008 [0,1,0,0,0,0|3,0,0]=4 3384 B11R0.5 CCOC(=O)OC(C)SCSC 62a_100000036008_100011218213 [0,1,0,0,0,0|3,0,0]=4 3385 B11R0.5 CCOC(=O)OC(C)SCSC 62a_100011218213_100000036008 [0,1,0,0,0,0|3,0,0]=4 3386 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [0,1,0,0,0,0|3,0,0]=4 3387 B11R0.62 C#CCC(=O)COC(=O)CCC 1458a_100011220946_100000034017 [0,1,0,0,0,0|0,0,3]=4 3388 B11R0.62 C#CCN(C)COC(=O)CCC 2230a_100000225692_100000034017 [0,1,0,0,0,0|1,0,2]=4 3389 B11R0.62 C#CCN(C)COC(=O)CCC 34a_100000225692_100000034017 [0,1,0,0,0,0|1,0,2]=4 3390 B11R0.62 C=CCC(=O)COC(=O)CCC 1458a_100000210193_100000034017 [0,1,0,0,0,0|0,0,3]=4 3391 B11R0.62 C=CCN(C)COC(=O)CCC 2230a_100000225617_100000034017 [0,1,0,0,0,0|1,0,2]=4 3392 B11R0.62 C=CCN(C)COC(=O)CCC 269982a_100000225617_100000034017 [0,1,0,0,0,0|1,0,2]=4 3393 B11R0.62 CC#CC(=O)COC(=O)CCC 1458a_100000763181_100000034017 [0,1,0,0,0,0|0,0,3]=4 3394 B11R0.62 CC=CC(=O)COC(=O)CCC 1458a_100000210699_100000034017 [0,1,0,0,0,0|0,0,3]=4 3395 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [0,1,0,0,0,0|2,0,1]=4 3396 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [0,1,0,0,0,0|2,0,1]=4 3397 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [0,1,0,0,0,0|2,0,1]=4 3398 B11R0.62 CCCC(=O)CNC(C)CCC 2230a_100000741246_100000747444 [0,1,0,0,0,0|2,0,0]=3 3399 B11R0.62 CCCC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747444 [0,1,0,0,0,0|3,0,0]=4 3400 B11R0.62 CCCC(=O)CN[C@H](C)COC 2230a_100000764878_100000747444 [0,1,0,0,0,0|3,0,0]=4 3401 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,1,0,0,0,0|0,0,1]=2 3402 B11R0.62 CCCC(=O)COC(C)CCC 7a_100000764384_100000747444 [0,1,0,0,0,0|2,0,0]=3 3403 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000747444_100000766640 [0,1,0,0,0,0|2,0,0]=3 3404 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000766640_100000747444 [0,1,0,0,0,0|2,0,0]=3 3405 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100000747444_100009893172 [0,1,0,0,0,0|3,0,0]=4 3406 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100009893172_100000747444 [0,1,0,0,0,0|3,0,0]=4 3407 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000747444_100000765312 [0,1,0,0,0,0|3,0,0]=4 3408 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000765312_100000747444 [0,1,0,0,0,0|3,0,0]=4 3409 B11R0.62 CCCC(=O)NCC(=O)NCC 11a_100016988866_100000211992 [0,1,0,0,0,0|2,0,1]=4 3410 B11R0.62 CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211992 [0,1,0,0,0,0|2,0,1]=4 3411 B11R0.62 CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211992 [0,1,0,0,0,0|2,0,1]=4 3412 B11R0.62 CCCC(=O)NCC(=O)NCC 527a_100016988866_100000211992 [0,1,0,0,0,0|2,0,1]=4 3413 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [0,1,0,0,0,0|2,0,1]=4 3414 B11R0.62 CCCC(=O)NCC(O)COC 240690a_100000756049_100000211992 [0,1,0,0,0,0|2,0,0]=3 3415 B11R0.62 CCCC(=O)NCC(O)COC 527a_100000756049_100000211992 [0,1,0,0,0,0|2,0,0]=3 3416 B11R0.62 CCCC(=O)NN=C(C)CCC 4a_100000189770_100000211909 [0,1,0,0,0,0|2,0,1]=4 3417 B11R0.62 CCCC(=O)NNC(=O)CCC 22a_100000189770_100000211992 [0,1,0,0,0,0|2,0,1]=4 3418 B11R0.62 CCCC(=O)OCC(=O)CC#N 1458a_100051588842_100000034017 [0,1,0,0,0,0|1,0,2]=4 3419 B11R0.62 CCCC(=O)OCC(=O)CCO 1458a_100011216618_100000034017 [0,1,0,0,0,0|1,0,1]=3 3420 B11R0.62 CCCC(=O)OCC(=O)COC 1458a_100000210968_100000034017 [0,1,0,0,0,0|1,0,1]=3 3421 B11R0.62 CCCC(=O)OCC(=O)CSC 1458a_100000184570_100000034017 [0,1,0,0,0,0|1,0,1]=3 3422 B11R0.62 CCCC(=O)OCN(C)CC#N 2230a_100000748184_100000034017 [0,1,0,0,0,0|2,0,1]=4 3423 B11R0.62 CCCC(=O)OCN(C)CCC 2230a_100000747261_100000034017 [0,1,0,0,0,0|1,0,0]=2 3424 B11R0.62 CCCC(=O)OCN(C)CCC 269982a_100000747261_100000034017 [0,1,0,0,0,0|1,0,0]=2 3425 B11R0.62 CCCC(=O)OCN(C)CCO 2230a_100000210263_100000034017 [0,1,0,0,0,0|2,0,0]=3 3426 B11R0.62 CCCC(=O)OCN(C)CCO 269982a_100000210263_100000034017 [0,1,0,0,0,0|2,0,0]=3 3427 B11R0.62 CCCC(C)CNC(C)CCC 2230a_100000741246_100011216630 [0,1,0,0,0,0|2,0,1]=4 3428 B11R0.62 CCCC(C)CNC(C)CCC 270004a_100000741246_100000243154 [0,1,0,0,0,0|2,0,1]=4 3429 B11R0.62 CCCC(C)COC(C)CCBr 34a_100012276601_100011216630 [0,1,0,0,0,0|2,0,1]=4 3430 B11R0.62 CCCC(C)COC(C)CCC 34a_100000688023_100000766640 [0,1,0,0,0,0|1,0,1]=3 3431 B11R0.62 CCCC(C)COC(C)CCC 34a_100000764384_100011216630 [0,1,0,0,0,0|1,0,1]=3 3432 B11R0.62 CCCC(C)COC(C)CCC 7a_100000688023_100000766640 [0,1,0,0,0,0|1,0,1]=3 3433 B11R0.62 CCCC(C)COC(C)CCC 7a_100000764384_100011216630 [0,1,0,0,0,0|1,0,1]=3 3434 B11R0.62 CCCC(C)COC(C)CCO 34a_100000688023_100009893172 [0,1,0,0,0,0|2,0,1]=4 3435 B11R0.62 CCCC(C)COC(C)CCO 7a_100000688023_100009893172 [0,1,0,0,0,0|2,0,1]=4 3436 B11R0.62 CCCC(C)COC(C)COC 34a_100000688023_100000765312 [0,1,0,0,0,0|2,0,1]=4 3437 B11R0.62 CCCC(C)COC(C)COC 7a_100000688023_100000765312 [0,1,0,0,0,0|2,0,1]=4 3438 B11R0.62 CCCC(C)CO[C@H](C)COC 34a_100011934205_100011216630 [0,1,0,0,0,0|2,0,1]=4 3439 B11R0.62 CCCC(C)CSC(C)CCC 62a_100000766640_100011216630 [0,1,0,0,0,0|1,1,1]=4 3440 B11R0.62 CCCC(C)CSC(C)CCC 62a_100011216630_100000766640 [0,1,0,0,0,0|1,1,1]=4 3441 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100000741246_100000183381 [0,1,0,0,0,0|3,0,0]=4 3442 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100016988866_100000766640 [0,1,0,0,0,0|3,0,0]=4 3443 B11R0.62 CCCC(C)NCC(=O)NCC 270004a_100016988866_100000211909 [0,1,0,0,0,0|3,0,0]=4 3444 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [0,1,0,0,0,0|3,0,0]=4 3445 B11R0.62 CCCC(C)OCC(=O)NCC 34a_100000764384_100000183381 [0,1,0,0,0,0|3,0,0]=4 3446 B11R0.62 CCCC(C)OCC(=O)NCC 7a_100000764384_100000183381 [0,1,0,0,0,0|3,0,0]=4 3447 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,1,0,0,0,0|3,0,0]=4 3448 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,1,0,0,0,0|3,0,0]=4 3449 B11R0.62 CCCC(C)OCC(C)CCN 34a_106354213184_100000766640 [0,1,0,0,0,0|2,0,1]=4 3450 B11R0.62 CCCC(C)OCC(N)COC 34a_100000724102_100000766640 [0,1,0,0,0,0|2,0,1]=4 3451 B11R0.62 CCCC(C)OCC(O)COC 34a_100000764384_100011215053 [0,1,0,0,0,0|2,0,1]=4 3452 B11R0.62 CCCC(C)OCC(O)COC 7a_100000764384_100011215053 [0,1,0,0,0,0|2,0,1]=4 3453 B11R0.62 CCCC(C)OC[C@@H](N)CCC 34a_100000732646_100000766640 [0,1,0,0,0,0|1,0,1]=3 3454 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000183381_100000766640 [0,1,0,0,0,0|3,0,0]=4 3455 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000766640_100000183381 [0,1,0,0,0,0|3,0,0]=4 3456 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [0,1,0,0,0,0|3,0,0]=4 3457 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [0,1,0,0,0,0|3,0,0]=4 3458 B11R0.62 CCCN(C)CCC(=O)NCC 2230a_100000747261_100000737597 [0,1,0,0,0,0|3,0,0]=4 3459 B11R0.62 CCCN(C)CCC(=O)NCC 269982a_100000747261_100000737597 [0,1,0,0,0,0|3,0,0]=4 3460 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [0,1,0,0,0,0|3,0,0]=4 3461 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [0,1,0,0,0,0|3,0,0]=4 3462 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [0,1,0,0,0,0|3,0,0]=4 3463 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [0,1,0,0,0,0|3,0,0]=4 3464 B11R0.62 CCC[C@H](N)COC(C)CCO 34a_100000732646_100009893172 [0,1,0,0,0,0|2,0,1]=4 3465 B11R0.62 CCC[C@H](N)COC(C)COC 34a_100000732646_100000765312 [0,1,0,0,0,0|2,0,1]=4 3466 B11R0.62 CCNC(=O)NCC(O)COC 2708a_100015525214_100000756049 [0,1,0,0,0,0|3,0,0]=4 3467 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100000756049_100015525214 [0,1,0,0,0,0|3,0,0]=4 3468 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100015525214_100000756049 [0,1,0,0,0,0|3,0,0]=4 3469 B11R0.62 CCNC(=O)NCC(O)COC 512a_100000756049_100015525214 [0,1,0,0,0,0|3,0,0]=4 3470 B11R0.62 CCNC(=O)NCC(O)COC 512a_100015525214_100000756049 [0,1,0,0,0,0|3,0,0]=4 3471 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [0,1,0,0,0,0|3,0,0]=4 3472 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [0,1,0,0,0,0|3,0,0]=4 3473 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [0,1,0,0,0,0|3,0,0]=4 3474 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [0,1,0,0,0,0|3,0,0]=4 3475 B11R0.62 COCC(=O)NCC(O)COC 240690a_100000756049_100000210968 [0,1,0,0,0,0|3,0,0]=4 3476 B11R0.62 COCC(=O)NCC(O)COC 527a_100000756049_100000210968 [0,1,0,0,0,0|3,0,0]=4 3477 B11R0.62 COCC(O)CNC(=O)CCO 240690a_100000756049_100011216618 [0,1,0,0,0,0|3,0,0]=4 3478 B11R0.62 COCC(O)CNC(=O)CSC 240690a_100000756049_100000184570 [0,1,0,0,0,0|3,0,0]=4 3479 B11R0.62 COCC(O)CNC(=O)CSC 527a_100000756049_100000184570 [0,1,0,0,0,0|3,0,0]=4 3480 B11R0.81 C#CCCC(=O)C=CCCCC 1458a_100016266645_100000753159 [0,1,0,0,0,0|1,0,2]=4 3481 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [0,1,0,0,0,0|1,0,1]=3 3482 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [0,1,0,0,0,0|1,0,1]=3 3483 B11R0.81 C#CCCC(=O)CCCCCF 1458a_100000692101_100000729378 [0,1,0,0,0,0|2,0,1]=4 3484 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100000692101_100000746330 [0,1,0,0,0,0|2,0,1]=4 3485 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100102619762_100000753159 [0,1,0,0,0,0|2,0,1]=4 3486 B11R0.81 C#CCCC(=O)CCCCOC 1458a_100000692101_100000755781 [0,1,0,0,0,0|2,0,1]=4 3487 B11R0.81 C#CCCC(=O)CCCOCC 1458a_100000692101_100012232248 [0,1,0,0,0,0|2,0,1]=4 3488 B11R0.81 C#CCCC(=O)CCOCCC 1458a_100000692101_100011215938 [0,1,0,0,0,0|2,0,1]=4 3489 B11R0.81 C#CCCC(=O)CCOCCC 34a_100011064465_100000210303 [0,1,0,0,0,0|2,0,1]=4 3490 B11R0.81 C#CCCC(=O)CCOCCC 7a_100011064465_100000210303 [0,1,0,0,0,0|2,0,1]=4 3491 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000692101_100011995733 [0,1,0,0,0,0|2,0,1]=4 3492 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000757543_100000753159 [0,1,0,0,0,0|2,0,1]=4 3493 B11R0.81 C#CCCC(=O)CSCCCC 1458a_100000191162_100000753159 [0,1,0,0,0,0|2,0,1]=4 3494 B11R0.81 C#CCCC(=O)NCCCCC 11a_100000209983_100000692101 [0,1,0,0,0,0|1,0,1]=3 3495 B11R0.81 C#CCCC(=O)NCCCCC 1626a_100000209983_100000692101 [0,1,0,0,0,0|1,0,1]=3 3496 B11R0.81 C#CCCC(=O)NCCCCC 240690a_100000209983_100000692101 [0,1,0,0,0,0|1,0,1]=3 3497 B11R0.81 C#CCCC(=O)NCCCCC 527a_100000209983_100000692101 [0,1,0,0,0,0|1,0,1]=3 3498 B11R0.81 C#CCCC(=O)NCCCCO 240690a_100000750430_100000692101 [0,1,0,0,0,0|2,0,1]=4 3499 B11R0.81 C#CCCC(=O)NCCCCO 527a_100000750430_100000692101 [0,1,0,0,0,0|2,0,1]=4 3500 B11R0.81 C#CCCC(=O)NCCCOC 1626a_100150723488_100000692101 [0,1,0,0,0,0|2,0,1]=4 3501 B11R0.81 C#CCCC(=O)NCCCOC 240690a_100150723488_100000692101 [0,1,0,0,0,0|2,0,1]=4 3502 B11R0.81 C#CCCC(=O)NCCCOC 527a_100150723488_100000692101 [0,1,0,0,0,0|2,0,1]=4 3503 B11R0.81 C#CCCC(=O)NCCCSC 11a_100000749238_100000692101 [0,1,0,0,0,0|2,0,1]=4 3504 B11R0.81 C#CCCC(=O)NCCCSC 1626a_100000749238_100000692101 [0,1,0,0,0,0|2,0,1]=4 3505 B11R0.81 C#CCCC(=O)NCCCSC 240690a_100000749238_100000692101 [0,1,0,0,0,0|2,0,1]=4 3506 B11R0.81 C#CCCC(=O)NCCCSC 527a_100000749238_100000692101 [0,1,0,0,0,0|2,0,1]=4 3507 B11R0.81 C#CCCC(=O)NCCOCC 11a_100011200944_100000692101 [0,1,0,0,0,0|2,0,1]=4 3508 B11R0.81 C#CCCC(=O)NCCOCC 1626a_102516460346_100000692101 [0,1,0,0,0,0|2,0,1]=4 3509 B11R0.81 C#CCCC(=O)NCCOCC 240690a_100011200944_100000692101 [0,1,0,0,0,0|2,0,1]=4 3510 B11R0.81 C#CCCC(=O)NCCOCC 527a_100011200944_100000692101 [0,1,0,0,0,0|2,0,1]=4 3511 B11R0.81 C#CCCC(=O)NCCSCC 11a_100000106463_100000692101 [0,1,0,0,0,0|2,0,1]=4 3512 B11R0.81 C#CCCC(=O)NCCSCC 1626a_100000106463_100000692101 [0,1,0,0,0,0|2,0,1]=4 3513 B11R0.81 C#CCCC(=O)NCCSCC 240690a_100000106463_100000692101 [0,1,0,0,0,0|2,0,1]=4 3514 B11R0.81 C#CCCC(=O)NCCSCC 527a_100000106463_100000692101 [0,1,0,0,0,0|2,0,1]=4 3515 B11R0.81 C#CCCC(=O)NNCCCC 22a_100025702795_100000692101 [0,1,0,0,0,0|2,0,1]=4 3516 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000210183_100010269958 [0,1,0,0,0,0|1,0,2]=4 3517 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000696528_100000210211 [0,1,0,0,0,0|1,0,2]=4 3518 B11R0.81 C#CCCCCC(=O)CCCF 1458a_100000696528_100011934791 [0,1,0,0,0,0|1,0,2]=4 3519 B11R0.81 C#CCCCCC(=O)CCCO 1458a_100000696528_100011215043 [0,1,0,0,0,0|1,0,2]=4 3520 B11R0.81 C#CCCCCC(=O)CCOC 1458a_100000696528_100000233755 [0,1,0,0,0,0|1,0,2]=4 3521 B11R0.81 C#CCCCCC(=O)CCOC 1458a_100000749529_100010269958 [0,1,0,0,0,0|1,0,2]=4 3522 B11R0.81 C#CCCCCC(=O)CCSC 1458a_100000174002_100010269958 [0,1,0,0,0,0|1,0,2]=4 3523 B11R0.81 C#CCCCCC(=O)CCSC 1458a_100000696528_100000751147 [0,1,0,0,0,0|1,0,2]=4 3524 B11R0.81 C#CCCCCC(=O)COCC 1458a_100000211967_100010269958 [0,1,0,0,0,0|1,0,2]=4 3525 B11R0.81 C#CCCCCC(=O)CSCC 1458a_100000230394_100010269958 [0,1,0,0,0,0|1,0,2]=4 3526 B11R0.81 C#CCCCCC(=O)NCCC 11a_100020643023_100000696528 [0,1,0,0,0,0|1,0,2]=4 3527 B11R0.81 C#CCCCCC(=O)NCCC 1626a_100020643023_100000696528 [0,1,0,0,0,0|1,0,2]=4 3528 B11R0.81 C#CCCCCC(=O)NCCC 240690a_100020643023_100000696528 [0,1,0,0,0,0|1,0,2]=4 3529 B11R0.81 C#CCCCCC(=O)NCCC 527a_100020643023_100000696528 [0,1,0,0,0,0|1,0,2]=4 3530 B11R0.81 C#CCCCNC(=O)CCCC 11a_100000718082_100000210183 [0,1,0,0,0,0|1,0,2]=4 3531 B11R0.81 C#CCCCNC(=O)CCCC 1626a_100000718082_100000210183 [0,1,0,0,0,0|1,0,2]=4 3532 B11R0.81 C#CCCCNC(=O)CCCC 240690a_100000718082_100000210183 [0,1,0,0,0,0|1,0,2]=4 3533 B11R0.81 C#CCCCNC(=O)CCCC 527a_100000718082_100000210183 [0,1,0,0,0,0|1,0,2]=4 3534 B11R0.81 C#CCCCNC(=O)CCOC 11a_100000718082_100000749529 [0,1,0,0,0,0|1,0,2]=4 3535 B11R0.81 C#CCCCNC(=O)CCOC 1626a_100000718082_100000749529 [0,1,0,0,0,0|1,0,2]=4 3536 B11R0.81 C#CCCCNC(=O)CCOC 240690a_100000718082_100000749529 [0,1,0,0,0,0|1,0,2]=4 3537 B11R0.81 C#CCCCNC(=O)CCOC 527a_100000718082_100000749529 [0,1,0,0,0,0|1,0,2]=4 3538 B11R0.81 C#CCCCNC(=O)CCSC 11a_100000718082_100000174002 [0,1,0,0,0,0|1,0,2]=4 3539 B11R0.81 C#CCCCNC(=O)CCSC 1626a_100000718082_100000174002 [0,1,0,0,0,0|1,0,2]=4 3540 B11R0.81 C#CCCCNC(=O)CCSC 240690a_100000718082_100000174002 [0,1,0,0,0,0|1,0,2]=4 3541 B11R0.81 C#CCCCNC(=O)CCSC 527a_100000718082_100000174002 [0,1,0,0,0,0|1,0,2]=4 3542 B11R0.81 C#CCCCNC(=O)COCC 11a_100000718082_100000211967 [0,1,0,0,0,0|1,0,2]=4 3543 B11R0.81 C#CCCCNC(=O)COCC 1626a_100000718082_100000211967 [0,1,0,0,0,0|1,0,2]=4 3544 B11R0.81 C#CCCCNC(=O)COCC 240690a_100000718082_100000211967 [0,1,0,0,0,0|1,0,2]=4 3545 B11R0.81 C#CCCCNC(=O)COCC 527a_100000718082_100000211967 [0,1,0,0,0,0|1,0,2]=4 3546 B11R0.81 C#CCCCNC(=O)CSCC 11a_100000718082_100000230394 [0,1,0,0,0,0|1,0,2]=4 3547 B11R0.81 C#CCCCNC(=O)CSCC 1626a_100000718082_100000230394 [0,1,0,0,0,0|1,0,2]=4 3548 B11R0.81 C#CCCCNC(=O)CSCC 240690a_100000718082_100000230394 [0,1,0,0,0,0|1,0,2]=4 3549 B11R0.81 C#CCCCNC(=O)CSCC 527a_100000718082_100000230394 [0,1,0,0,0,0|1,0,2]=4 3550 B11R0.81 C#CCCCNC(=O)NCCC 2708a_100000718082_100020643023 [0,1,0,0,0,0|1,0,2]=4 3551 B11R0.81 C#CCCCNC(=O)NCCC 2708a_100020643023_100000718082 [0,1,0,0,0,0|1,0,2]=4 3552 B11R0.81 C#CCCCNC(=O)NCCC 273464a_100000718082_100020643023 [0,1,0,0,0,0|1,0,2]=4 3553 B11R0.81 C#CCCCNC(=O)NCCC 273464a_100020643023_100000718082 [0,1,0,0,0,0|1,0,2]=4 3554 B11R0.81 C#CCCCNC(=O)NCCC 512a_100000718082_100020643023 [0,1,0,0,0,0|1,0,2]=4 3555 B11R0.81 C#CCCCNC(=O)NCCC 512a_100020643023_100000718082 [0,1,0,0,0,0|1,0,2]=4 3556 B11R0.81 C#CCNC(=O)CCCCCC 11a_100000212058_100102632555 [0,1,0,0,0,0|1,0,2]=4 3557 B11R0.81 C#CCNC(=O)CCCCCC 1626a_100000212058_100102632555 [0,1,0,0,0,0|1,0,2]=4 3558 B11R0.81 C#CCNC(=O)CCCCCC 240690a_100000212058_100102632555 [0,1,0,0,0,0|1,0,2]=4 3559 B11R0.81 C#CCNC(=O)CCCCCC 527a_100000212058_100102632555 [0,1,0,0,0,0|1,0,2]=4 3560 B11R0.81 C#CCNC(=O)NCCCCC 2708a_100000209983_100000212058 [0,1,0,0,0,0|1,0,2]=4 3561 B11R0.81 C#CCNC(=O)NCCCCC 2708a_100000212058_100000209983 [0,1,0,0,0,0|1,0,2]=4 3562 B11R0.81 C#CCNC(=O)NCCCCC 273464a_100000209983_100000212058 [0,1,0,0,0,0|1,0,2]=4 3563 B11R0.81 C#CCNC(=O)NCCCCC 273464a_100000212058_100000209983 [0,1,0,0,0,0|1,0,2]=4 3564 B11R0.81 C#CCNC(=O)NCCCCC 512a_100000209983_100000212058 [0,1,0,0,0,0|1,0,2]=4 3565 B11R0.81 C#CCNC(=O)NCCCCC 512a_100000212058_100000209983 [0,1,0,0,0,0|1,0,2]=4 3566 B11R0.81 C#CCNCOC(=O)OCCC 34a_100000212058_200000139673 [0,1,0,0,0,0|1,0,2]=4 3567 B11R0.81 C#CCOCOC(=O)OCCC 34a_100000210247_200000139673 [0,1,0,0,0,0|1,0,2]=4 3568 B11R0.81 C#CCSCOC(=O)OCCC 62a_100000038162_200000139673 [0,1,0,0,0,0|1,0,2]=4 3569 B11R0.81 C/C=C/CC(=O)C=CCCCC 1458a_100016266645_100102629194 [0,1,0,0,0,0|1,0,2]=4 3570 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [0,1,0,0,0,0|1,0,1]=3 3571 B11R0.81 C/C=C/CC(=O)CCCCCO 1458a_100102619762_100102629194 [0,1,0,0,0,0|2,0,1]=4 3572 B11R0.81 C/C=C/CC(=O)COCCCC 1458a_100000757543_100102629194 [0,1,0,0,0,0|2,0,1]=4 3573 B11R0.81 C/C=C/CC(=O)CSCCCC 1458a_100000191162_100102629194 [0,1,0,0,0,0|2,0,1]=4 3574 B11R0.81 C=CCCC(=O)C=CCCCC 1458a_100016266645_100000754431 [0,1,0,0,0,0|1,0,2]=4 3575 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,1,0,0,0,0|1,0,1]=3 3576 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,1,0,0,0,0|1,0,1]=3 3577 B11R0.81 C=CCCC(=O)CCCCCF 1458a_100000749702_100000729378 [0,1,0,0,0,0|2,0,1]=4 3578 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [0,1,0,0,0,0|2,0,1]=4 3579 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [0,1,0,0,0,0|2,0,1]=4 3580 B11R0.81 C=CCCC(=O)CCCCOC 1458a_100000749702_100000755781 [0,1,0,0,0,0|2,0,1]=4 3581 B11R0.81 C=CCCC(=O)CCCOCC 1458a_100000749702_100012232248 [0,1,0,0,0,0|2,0,1]=4 3582 B11R0.81 C=CCCC(=O)CCOCCC 1458a_100000749702_100011215938 [0,1,0,0,0,0|2,0,1]=4 3583 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000749702_100011995733 [0,1,0,0,0,0|2,0,1]=4 3584 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000757543_100000754431 [0,1,0,0,0,0|2,0,1]=4 3585 B11R0.81 C=CCCC(=O)CSCCCC 1458a_100000191162_100000754431 [0,1,0,0,0,0|2,0,1]=4 3586 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [0,1,0,0,0,0|1,0,1]=3 3587 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [0,1,0,0,0,0|1,0,1]=3 3588 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [0,1,0,0,0,0|1,0,1]=3 3589 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [0,1,0,0,0,0|1,0,1]=3 3590 B11R0.81 C=CCCC(=O)NCCCCO 240690a_100000750430_100000749702 [0,1,0,0,0,0|2,0,1]=4 3591 B11R0.81 C=CCCC(=O)NCCCCO 527a_100000750430_100000749702 [0,1,0,0,0,0|2,0,1]=4 3592 B11R0.81 C=CCCC(=O)NCCCOC 1626a_100150723488_100000749702 [0,1,0,0,0,0|2,0,1]=4 3593 B11R0.81 C=CCCC(=O)NCCCOC 240690a_100150723488_100000749702 [0,1,0,0,0,0|2,0,1]=4 3594 B11R0.81 C=CCCC(=O)NCCCOC 527a_100150723488_100000749702 [0,1,0,0,0,0|2,0,1]=4 3595 B11R0.81 C=CCCC(=O)NCCCSC 11a_100000749238_100000749702 [0,1,0,0,0,0|2,0,1]=4 3596 B11R0.81 C=CCCC(=O)NCCCSC 1626a_100000749238_100000749702 [0,1,0,0,0,0|2,0,1]=4 3597 B11R0.81 C=CCCC(=O)NCCCSC 240690a_100000749238_100000749702 [0,1,0,0,0,0|2,0,1]=4 3598 B11R0.81 C=CCCC(=O)NCCCSC 527a_100000749238_100000749702 [0,1,0,0,0,0|2,0,1]=4 3599 B11R0.81 C=CCCC(=O)NCCOCC 11a_100011200944_100000749702 [0,1,0,0,0,0|2,0,1]=4 3600 B11R0.81 C=CCCC(=O)NCCOCC 1626a_102516460346_100000749702 [0,1,0,0,0,0|2,0,1]=4 3601 B11R0.81 C=CCCC(=O)NCCOCC 240690a_100011200944_100000749702 [0,1,0,0,0,0|2,0,1]=4 3602 B11R0.81 C=CCCC(=O)NCCOCC 527a_100011200944_100000749702 [0,1,0,0,0,0|2,0,1]=4 3603 B11R0.81 C=CCCC(=O)NCCSCC 11a_100000106463_100000749702 [0,1,0,0,0,0|2,0,1]=4 3604 B11R0.81 C=CCCC(=O)NCCSCC 1626a_100000106463_100000749702 [0,1,0,0,0,0|2,0,1]=4 3605 B11R0.81 C=CCCC(=O)NCCSCC 240690a_100000106463_100000749702 [0,1,0,0,0,0|2,0,1]=4 3606 B11R0.81 C=CCCC(=O)NCCSCC 527a_100000106463_100000749702 [0,1,0,0,0,0|2,0,1]=4 3607 B11R0.81 C=CCCC(=O)NNCCCC 22a_100025702795_100000749702 [0,1,0,0,0,0|2,0,1]=4 3608 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [0,1,0,0,0,0|1,0,2]=4 3609 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [0,1,0,0,0,0|1,0,2]=4 3610 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [0,1,0,0,0,0|1,0,2]=4 3611 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [0,1,0,0,0,0|1,0,2]=4 3612 B11R0.81 C=CCCCCC(=O)CCCF 1458a_100011215552_100011934791 [0,1,0,0,0,0|1,0,2]=4 3613 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [0,1,0,0,0,0|1,0,2]=4 3614 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100000749529_100011215482 [0,1,0,0,0,0|1,0,2]=4 3615 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100011215552_100000233755 [0,1,0,0,0,0|1,0,2]=4 3616 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100000174002_100011215482 [0,1,0,0,0,0|1,0,2]=4 3617 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100011215552_100000751147 [0,1,0,0,0,0|1,0,2]=4 3618 B11R0.81 C=CCCCCC(=O)COCC 1458a_100000211967_100011215482 [0,1,0,0,0,0|1,0,2]=4 3619 B11R0.81 C=CCCCCC(=O)CSCC 1458a_100000230394_100011215482 [0,1,0,0,0,0|1,0,2]=4 3620 B11R0.81 C=CCCCCC(=O)NCCC 11a_100020643023_100011215552 [0,1,0,0,0,0|1,0,2]=4 3621 B11R0.81 C=CCCCCC(=O)NCCC 1626a_100020643023_100011215552 [0,1,0,0,0,0|1,0,2]=4 3622 B11R0.81 C=CCCCCC(=O)NCCC 240690a_100020643023_100011215552 [0,1,0,0,0,0|1,0,2]=4 3623 B11R0.81 C=CCCCCC(=O)NCCC 527a_100020643023_100011215552 [0,1,0,0,0,0|1,0,2]=4 3624 B11R0.81 C=CCCCNC(=O)CCCC 11a_100000700776_100000210183 [0,1,0,0,0,0|1,0,2]=4 3625 B11R0.81 C=CCCCNC(=O)CCCC 1626a_100000700776_100000210183 [0,1,0,0,0,0|1,0,2]=4 3626 B11R0.81 C=CCCCNC(=O)CCCC 240690a_100000700776_100000210183 [0,1,0,0,0,0|1,0,2]=4 3627 B11R0.81 C=CCCCNC(=O)CCCC 527a_100000700776_100000210183 [0,1,0,0,0,0|1,0,2]=4 3628 B11R0.81 C=CCCCNC(=O)CCOC 11a_100000700776_100000749529 [0,1,0,0,0,0|1,0,2]=4 3629 B11R0.81 C=CCCCNC(=O)CCOC 1626a_100000700776_100000749529 [0,1,0,0,0,0|1,0,2]=4 3630 B11R0.81 C=CCCCNC(=O)CCOC 240690a_100000700776_100000749529 [0,1,0,0,0,0|1,0,2]=4 3631 B11R0.81 C=CCCCNC(=O)CCOC 527a_100000700776_100000749529 [0,1,0,0,0,0|1,0,2]=4 3632 B11R0.81 C=CCCCNC(=O)CCSC 11a_100000700776_100000174002 [0,1,0,0,0,0|1,0,2]=4 3633 B11R0.81 C=CCCCNC(=O)CCSC 1626a_100000700776_100000174002 [0,1,0,0,0,0|1,0,2]=4 3634 B11R0.81 C=CCCCNC(=O)CCSC 240690a_100000700776_100000174002 [0,1,0,0,0,0|1,0,2]=4 3635 B11R0.81 C=CCCCNC(=O)CCSC 527a_100000700776_100000174002 [0,1,0,0,0,0|1,0,2]=4 3636 B11R0.81 C=CCCCNC(=O)COCC 11a_100000700776_100000211967 [0,1,0,0,0,0|1,0,2]=4 3637 B11R0.81 C=CCCCNC(=O)COCC 1626a_100000700776_100000211967 [0,1,0,0,0,0|1,0,2]=4 3638 B11R0.81 C=CCCCNC(=O)COCC 240690a_100000700776_100000211967 [0,1,0,0,0,0|1,0,2]=4 3639 B11R0.81 C=CCCCNC(=O)COCC 527a_100000700776_100000211967 [0,1,0,0,0,0|1,0,2]=4 3640 B11R0.81 C=CCCCNC(=O)CSCC 11a_100000700776_100000230394 [0,1,0,0,0,0|1,0,2]=4 3641 B11R0.81 C=CCCCNC(=O)CSCC 1626a_100000700776_100000230394 [0,1,0,0,0,0|1,0,2]=4 3642 B11R0.81 C=CCCCNC(=O)CSCC 240690a_100000700776_100000230394 [0,1,0,0,0,0|1,0,2]=4 3643 B11R0.81 C=CCCCNC(=O)CSCC 527a_100000700776_100000230394 [0,1,0,0,0,0|1,0,2]=4 3644 B11R0.81 C=CCCCNC(=O)NCCC 2708a_100000700776_100020643023 [0,1,0,0,0,0|1,0,2]=4 3645 B11R0.81 C=CCCCNC(=O)NCCC 2708a_100020643023_100000700776 [0,1,0,0,0,0|1,0,2]=4 3646 B11R0.81 C=CCCCNC(=O)NCCC 273464a_100000700776_100020643023 [0,1,0,0,0,0|1,0,2]=4 3647 B11R0.81 C=CCCCNC(=O)NCCC 273464a_100020643023_100000700776 [0,1,0,0,0,0|1,0,2]=4 3648 B11R0.81 C=CCCCNC(=O)NCCC 512a_100000700776_100020643023 [0,1,0,0,0,0|1,0,2]=4 3649 B11R0.81 C=CCCCNC(=O)NCCC 512a_100020643023_100000700776 [0,1,0,0,0,0|1,0,2]=4 3650 B11R0.81 C=CCNC(=O)CCCCCC 1626a_100020586998_100102632555 [0,1,0,0,0,0|1,0,2]=4 3651 B11R0.81 C=CCNC(=O)CCCCCC 240690a_100020586998_100102632555 [0,1,0,0,0,0|1,0,2]=4 3652 B11R0.81 C=CCNC(=O)CCCCCC 527a_100020586998_100102632555 [0,1,0,0,0,0|1,0,2]=4 3653 B11R0.81 C=CCNC(=O)NCCCCC 2708a_100000209983_100020586998 [0,1,0,0,0,0|1,0,2]=4 3654 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100000209983_100020586998 [0,1,0,0,0,0|1,0,2]=4 3655 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100020586998_100000209983 [0,1,0,0,0,0|1,0,2]=4 3656 B11R0.81 C=CCNC(=O)NCCCCC 512a_100000209983_100020586998 [0,1,0,0,0,0|1,0,2]=4 3657 B11R0.81 C=CCNC(=O)NCCCCC 512a_100020586998_100000209983 [0,1,0,0,0,0|1,0,2]=4 3658 B11R0.81 C=CCOCOC(=O)OCCC 34a_200000210373_200000139673 [0,1,0,0,0,0|1,0,2]=4 3659 B11R0.81 C=CCSCOC(=O)OCCC 62a_100000210623_200000139673 [0,1,0,0,0,0|1,0,2]=4 3660 B11R0.81 CC#CCC(=O)C=CCCCC 1458a_100016266645_100000748600 [0,1,0,0,0,0|1,0,2]=4 3661 B11R0.81 CC#CCC(=O)CCCCCC 1458a_100102632555_100000748600 [0,1,0,0,0,0|1,0,1]=3 3662 B11R0.81 CC#CCC(=O)CCCCCO 1458a_100102619762_100000748600 [0,1,0,0,0,0|2,0,1]=4 3663 B11R0.81 CC#CCC(=O)COCCCC 1458a_100000757543_100000748600 [0,1,0,0,0,0|2,0,1]=4 3664 B11R0.81 CC#CCC(=O)CSCCCC 1458a_100000191162_100000748600 [0,1,0,0,0,0|2,0,1]=4 3665 B11R0.81 CC(CCCCl)OCCCCF 34a_200000718107_100000729493 [0,1,0,0,0,0|2,0,1]=4 3666 B11R0.81 CC(CCCCl)OCCCCF 7a_200000718107_100000729493 [0,1,0,0,0,0|2,0,1]=4 3667 B11R0.81 CC(CCCCl)OCCCCO 34a_200000718107_100011216708 [0,1,0,0,0,0|2,0,1]=4 3668 B11R0.81 CC(CCCCl)OCCCCO 7a_200000718107_100000210776 [0,1,0,0,0,0|2,0,1]=4 3669 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [0,1,0,0,0,0|1,0,2]=4 3670 B11R0.81 CC/C=C\CCC(=O)CCOC 1458a_100000749529_100015370543 [0,1,0,0,0,0|1,0,2]=4 3671 B11R0.81 CC/C=C\CCC(=O)CCSC 1458a_100000174002_100015370543 [0,1,0,0,0,0|1,0,2]=4 3672 B11R0.81 CC/C=C\CCC(=O)COCC 1458a_100000211967_100015370543 [0,1,0,0,0,0|1,0,2]=4 3673 B11R0.81 CC/C=C\CCC(=O)CSCC 1458a_100000230394_100015370543 [0,1,0,0,0,0|1,0,2]=4 3674 B11R0.81 CC=CCC(=O)C=CCCCC 1458a_100016266645_100000070051 [0,1,0,0,0,0|1,0,2]=4 3675 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [0,1,0,0,0,0|1,0,1]=3 3676 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [0,1,0,0,0,0|1,0,1]=3 3677 B11R0.81 CC=CCC(=O)CCCCCF 1458a_100121576822_100000729378 [0,1,0,0,0,0|2,0,1]=4 3678 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100102619762_100000070051 [0,1,0,0,0,0|2,0,1]=4 3679 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100121576822_100000746330 [0,1,0,0,0,0|2,0,1]=4 3680 B11R0.81 CC=CCC(=O)CCCCOC 1458a_100121576822_100000755781 [0,1,0,0,0,0|2,0,1]=4 3681 B11R0.81 CC=CCC(=O)CCCOCC 1458a_100121576822_100012232248 [0,1,0,0,0,0|2,0,1]=4 3682 B11R0.81 CC=CCC(=O)CCOCCC 1458a_100121576822_100011215938 [0,1,0,0,0,0|2,0,1]=4 3683 B11R0.81 CC=CCC(=O)COCCCC 1458a_100000757543_100000070051 [0,1,0,0,0,0|2,0,1]=4 3684 B11R0.81 CC=CCC(=O)COCCCC 1458a_100121576822_100011995733 [0,1,0,0,0,0|2,0,1]=4 3685 B11R0.81 CC=CCC(=O)CSCCCC 1458a_100000191162_100000070051 [0,1,0,0,0,0|2,0,1]=4 3686 B11R0.81 CC=CCC(=O)NCCCCC 11a_100000209983_100121576822 [0,1,0,0,0,0|1,0,1]=3 3687 B11R0.81 CC=CCC(=O)NCCCCC 1626a_100000209983_100121576822 [0,1,0,0,0,0|1,0,1]=3 3688 B11R0.81 CC=CCC(=O)NCCCCC 240690a_100000209983_100121576822 [0,1,0,0,0,0|1,0,1]=3 3689 B11R0.81 CC=CCC(=O)NCCCCC 527a_100000209983_100121576822 [0,1,0,0,0,0|1,0,1]=3 3690 B11R0.81 CC=CCC(=O)NCCCCO 240690a_100000750430_100121576822 [0,1,0,0,0,0|2,0,1]=4 3691 B11R0.81 CC=CCC(=O)NCCCCO 527a_100000750430_100121576822 [0,1,0,0,0,0|2,0,1]=4 3692 B11R0.81 CC=CCC(=O)NCCCOC 1626a_100150723488_100121576822 [0,1,0,0,0,0|2,0,1]=4 3693 B11R0.81 CC=CCC(=O)NCCCOC 240690a_100150723488_100121576822 [0,1,0,0,0,0|2,0,1]=4 3694 B11R0.81 CC=CCC(=O)NCCCOC 527a_100150723488_100121576822 [0,1,0,0,0,0|2,0,1]=4 3695 B11R0.81 CC=CCC(=O)NCCCSC 11a_100000749238_100121576822 [0,1,0,0,0,0|2,0,1]=4 3696 B11R0.81 CC=CCC(=O)NCCCSC 1626a_100000749238_100121576822 [0,1,0,0,0,0|2,0,1]=4 3697 B11R0.81 CC=CCC(=O)NCCCSC 240690a_100000749238_100121576822 [0,1,0,0,0,0|2,0,1]=4 3698 B11R0.81 CC=CCC(=O)NCCCSC 527a_100000749238_100121576822 [0,1,0,0,0,0|2,0,1]=4 3699 B11R0.81 CC=CCC(=O)NCCOCC 11a_100011200944_100121576822 [0,1,0,0,0,0|2,0,1]=4 3700 B11R0.81 CC=CCC(=O)NCCOCC 1626a_102516460346_100121576822 [0,1,0,0,0,0|2,0,1]=4 3701 B11R0.81 CC=CCC(=O)NCCOCC 240690a_100011200944_100121576822 [0,1,0,0,0,0|2,0,1]=4 3702 B11R0.81 CC=CCC(=O)NCCOCC 527a_100011200944_100121576822 [0,1,0,0,0,0|2,0,1]=4 3703 B11R0.81 CC=CCC(=O)NCCSCC 11a_100000106463_100121576822 [0,1,0,0,0,0|2,0,1]=4 3704 B11R0.81 CC=CCC(=O)NCCSCC 1626a_100000106463_100121576822 [0,1,0,0,0,0|2,0,1]=4 3705 B11R0.81 CC=CCC(=O)NCCSCC 240690a_100000106463_100121576822 [0,1,0,0,0,0|2,0,1]=4 3706 B11R0.81 CC=CCC(=O)NCCSCC 527a_100000106463_100121576822 [0,1,0,0,0,0|2,0,1]=4 3707 B11R0.81 CC=CCC(=O)NNCCCC 22a_100025702795_100121576822 [0,1,0,0,0,0|2,0,1]=4 3708 B11R0.81 CC=NNC(=O)CCCCCC 4a_100011221127_200000210099 [0,1,0,0,0,0|2,0,1]=4 3709 B11R0.81 CCC#CC(=O)CCCCCC 1458a_100011827653_100000210757 [0,1,0,0,0,0|1,0,1]=3 3710 B11R0.81 CCC#CC(=O)CCCCCF 1458a_100011827653_100000729378 [0,1,0,0,0,0|2,0,1]=4 3711 B11R0.81 CCC#CC(=O)CCCCCO 1458a_100011827653_100000746330 [0,1,0,0,0,0|2,0,1]=4 3712 B11R0.81 CCC#CC(=O)CCCCOC 1458a_100011827653_100000755781 [0,1,0,0,0,0|2,0,1]=4 3713 B11R0.81 CCC#CC(=O)CCCOCC 1458a_100011827653_100012232248 [0,1,0,0,0,0|2,0,1]=4 3714 B11R0.81 CCC#CC(=O)CCOCCC 1458a_100011827653_100011215938 [0,1,0,0,0,0|2,0,1]=4 3715 B11R0.81 CCC#CC(=O)COCCCC 1458a_100011827653_100011995733 [0,1,0,0,0,0|2,0,1]=4 3716 B11R0.81 CCC#CC(=O)NNCCCC 22a_100025702795_100011827653 [0,1,0,0,0,0|2,0,1]=4 3717 B11R0.81 CCC#CC(C)OCCCCC 34a_100000033903_100000718602 [0,1,0,0,0,0|1,0,2]=4 3718 B11R0.81 CCC#CC(C)OCCCCC 7a_100000033903_100000210326 [0,1,0,0,0,0|1,0,2]=4 3719 B11R0.81 CCC/C=C/CC(=O)CCCC 1458a_200016266809_100000210211 [0,1,0,0,0,0|1,0,2]=4 3720 B11R0.81 CCC/C=C/CC(=O)CCCF 1458a_200016266809_100011934791 [0,1,0,0,0,0|1,0,2]=4 3721 B11R0.81 CCC/C=C/CC(=O)CCCO 1458a_200016266809_100011215043 [0,1,0,0,0,0|1,0,2]=4 3722 B11R0.81 CCC/C=C/CC(=O)CCOC 1458a_200016266809_100000233755 [0,1,0,0,0,0|1,0,2]=4 3723 B11R0.81 CCC/C=C/CC(=O)CCSC 1458a_200016266809_100000751147 [0,1,0,0,0,0|1,0,2]=4 3724 B11R0.81 CCC/C=C/CC(=O)NCCC 11a_100020643023_200016266809 [0,1,0,0,0,0|1,0,2]=4 3725 B11R0.81 CCC/C=C/CC(=O)NCCC 1626a_100020643023_200016266809 [0,1,0,0,0,0|1,0,2]=4 3726 B11R0.81 CCC/C=C/CC(=O)NCCC 240690a_100020643023_200016266809 [0,1,0,0,0,0|1,0,2]=4 3727 B11R0.81 CCC/C=C/CC(=O)NCCC 527a_100020643023_200016266809 [0,1,0,0,0,0|1,0,2]=4 3728 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [0,1,0,0,0,0|1,0,1]=3 3729 B11R0.81 CCC=CC(=O)CCCCCF 1458a_100000212282_100000729378 [0,1,0,0,0,0|2,0,1]=4 3730 B11R0.81 CCC=CC(=O)CCCCCO 1458a_100000212282_100000746330 [0,1,0,0,0,0|2,0,1]=4 3731 B11R0.81 CCC=CC(=O)CCCCOC 1458a_100000212282_100000755781 [0,1,0,0,0,0|2,0,1]=4 3732 B11R0.81 CCC=CC(=O)CCCOCC 1458a_100000212282_100012232248 [0,1,0,0,0,0|2,0,1]=4 3733 B11R0.81 CCC=CC(=O)CCOCCC 1458a_100000212282_100011215938 [0,1,0,0,0,0|2,0,1]=4 3734 B11R0.81 CCC=CC(=O)COCCCC 1458a_100000212282_100011995733 [0,1,0,0,0,0|2,0,1]=4 3735 B11R0.81 CCC=CC(=O)NCCCCC 11a_100000209983_100000212282 [0,1,0,0,0,0|1,0,1]=3 3736 B11R0.81 CCC=CC(=O)NCCCCC 1626a_100000209983_100000212282 [0,1,0,0,0,0|1,0,1]=3 3737 B11R0.81 CCC=CC(=O)NCCCCC 240690a_100000209983_100000212282 [0,1,0,0,0,0|1,0,1]=3 3738 B11R0.81 CCC=CC(=O)NCCCCO 240690a_100000750430_100000212282 [0,1,0,0,0,0|2,0,1]=4 3739 B11R0.81 CCC=CC(=O)NCCCOC 1626a_100150723488_100000212282 [0,1,0,0,0,0|2,0,1]=4 3740 B11R0.81 CCC=CC(=O)NCCCOC 240690a_100150723488_100000212282 [0,1,0,0,0,0|2,0,1]=4 3741 B11R0.81 CCC=CC(=O)NCCCSC 11a_100000749238_100000212282 [0,1,0,0,0,0|2,0,1]=4 3742 B11R0.81 CCC=CC(=O)NCCCSC 1626a_100000749238_100000212282 [0,1,0,0,0,0|2,0,1]=4 3743 B11R0.81 CCC=CC(=O)NCCCSC 240690a_100000749238_100000212282 [0,1,0,0,0,0|2,0,1]=4 3744 B11R0.81 CCC=CC(=O)NCCOCC 11a_100011200944_100000212282 [0,1,0,0,0,0|2,0,1]=4 3745 B11R0.81 CCC=CC(=O)NCCOCC 1626a_102516460346_100000212282 [0,1,0,0,0,0|2,0,1]=4 3746 B11R0.81 CCC=CC(=O)NCCOCC 240690a_100011200944_100000212282 [0,1,0,0,0,0|2,0,1]=4 3747 B11R0.81 CCC=CC(=O)NCCSCC 11a_100000106463_100000212282 [0,1,0,0,0,0|2,0,1]=4 3748 B11R0.81 CCC=CC(=O)NCCSCC 1626a_100000106463_100000212282 [0,1,0,0,0,0|2,0,1]=4 3749 B11R0.81 CCC=CC(=O)NCCSCC 240690a_100000106463_100000212282 [0,1,0,0,0,0|2,0,1]=4 3750 B11R0.81 CCC=CC(=O)NNCCCC 22a_100025702795_100000212282 [0,1,0,0,0,0|2,0,1]=4 3751 B11R0.81 CCCC=NNC(=O)CCCC 4a_100000189769_100000185831 [0,1,0,0,0,0|2,0,1]=4 3752 B11R0.81 CCCC=NNC(=O)CCOC 4a_100011260505_100000185831 [0,1,0,0,0,0|2,0,1]=4 3753 B11R0.81 CCCC=NNC(=O)COCC 4a_100000216846_100000185831 [0,1,0,0,0,0|2,0,1]=4 3754 B11R0.81 CCCCC(=O)CCCCC#N 1458a_100000210183_100000211819 [0,1,0,0,0,0|2,0,1]=4 3755 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,1,0,0,0,0|2,0,0]=3 3756 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,1,0,0,0,0|2,0,0]=3 3757 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,1,0,0,0,0|2,0,0]=3 3758 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,1,0,0,0,0|2,0,0]=3 3759 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [0,1,0,0,0,0|2,0,0]=3 3760 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [0,1,0,0,0,0|2,0,0]=3 3761 B11R0.81 CCCCC(=O)CCOCCO 1458a_100000210183_100011215305 [0,1,0,0,0,0|3,0,0]=4 3762 B11R0.81 CCCCC(=O)CCOCCO 1458a_100011229844_100000210211 [0,1,0,0,0,0|3,0,0]=4 3763 B11R0.81 CCCCC(=O)COCCOC 1458a_100000211095_100000210211 [0,1,0,0,0,0|3,0,0]=4 3764 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [0,1,0,0,0,0|2,0,0]=3 3765 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [0,1,0,0,0,0|2,0,0]=3 3766 B11R0.81 CCCCC(=O)NCCCOC 1626a_100150723488_100000210183 [0,1,0,0,0,0|2,0,0]=3 3767 B11R0.81 CCCCC(=O)NCCCOC 240690a_100150723488_100000210183 [0,1,0,0,0,0|2,0,0]=3 3768 B11R0.81 CCCCC(=O)NCCCOC 527a_100150723488_100000210183 [0,1,0,0,0,0|2,0,0]=3 3769 B11R0.81 CCCCC(=O)NCCCSC 11a_100000749238_100000210183 [0,1,0,0,0,0|2,0,0]=3 3770 B11R0.81 CCCCC(=O)NCCCSC 1626a_100000749238_100000210183 [0,1,0,0,0,0|2,0,0]=3 3771 B11R0.81 CCCCC(=O)NCCCSC 240690a_100000749238_100000210183 [0,1,0,0,0,0|2,0,0]=3 3772 B11R0.81 CCCCC(=O)NCCCSC 527a_100000749238_100000210183 [0,1,0,0,0,0|2,0,0]=3 3773 B11R0.81 CCCCC(=O)NCCOCC 11a_100011200944_100000210183 [0,1,0,0,0,0|2,0,0]=3 3774 B11R0.81 CCCCC(=O)NCCOCC 1626a_102516460346_100000210183 [0,1,0,0,0,0|2,0,0]=3 3775 B11R0.81 CCCCC(=O)NCCOCC 240690a_100011200944_100000210183 [0,1,0,0,0,0|2,0,0]=3 3776 B11R0.81 CCCCC(=O)NCCOCC 527a_100011200944_100000210183 [0,1,0,0,0,0|2,0,0]=3 3777 B11R0.81 CCCCC(=O)NCCSCC 11a_100000106463_100000210183 [0,1,0,0,0,0|2,0,0]=3 3778 B11R0.81 CCCCC(=O)NCCSCC 1626a_100000106463_100000210183 [0,1,0,0,0,0|2,0,0]=3 3779 B11R0.81 CCCCC(=O)NCCSCC 240690a_100000106463_100000210183 [0,1,0,0,0,0|2,0,0]=3 3780 B11R0.81 CCCCC(=O)NCCSCC 527a_100000106463_100000210183 [0,1,0,0,0,0|2,0,0]=3 3781 B11R0.81 CCCCC(=O)NNCCOC 22a_100000741390_100000210183 [0,1,0,0,0,0|3,0,0]=4 3782 B11R0.81 CCCCC(C)OCCCCBr 34a_100011216708_200011215066 [0,1,0,0,0,0|2,0,1]=4 3783 B11R0.81 CCCCC(C)OCCCCCl 34a_100000210776_200011215066 [0,1,0,0,0,0|2,0,1]=4 3784 B11R0.81 CCCCC(C)OCCCCCl 7a_100000210776_200011215066 [0,1,0,0,0,0|2,0,1]=4 3785 B11R0.81 CCCCC(C)OCCCCF 34a_100000687866_100000729493 [0,1,0,0,0,0|2,0,1]=4 3786 B11R0.81 CCCCC(C)OCCCCF 34a_100011995726_200011215066 [0,1,0,0,0,0|2,0,1]=4 3787 B11R0.81 CCCCC(C)OCCCCF 7a_100000687866_100000729493 [0,1,0,0,0,0|2,0,1]=4 3788 B11R0.81 CCCCC(C)OCCCCF 7a_100011995726_200011215066 [0,1,0,0,0,0|2,0,1]=4 3789 B11R0.81 CCCCC(C)OCCCCI 34a_200012148704_200011215066 [0,1,0,0,0,0|2,0,1]=4 3790 B11R0.81 CCCCC(C)OCCCCN 34a_100000750430_200011215066 [0,1,0,0,0,0|2,0,1]=4 3791 B11R0.81 CCCCC(C)OCCCCO 34a_100000687866_100011216708 [0,1,0,0,0,0|2,0,1]=4 3792 B11R0.81 CCCCC(C)OCCCCO 7a_100000687866_100000210776 [0,1,0,0,0,0|2,0,1]=4 3793 B11R0.81 CCCCC(C)OCCCNC 34a_100000213112_200011215066 [0,1,0,0,0,0|2,0,1]=4 3794 B11R0.81 CCCCC(C)OCCCOC 34a_100000687866_100000740836 [0,1,0,0,0,0|2,0,1]=4 3795 B11R0.81 CCCCC(C)OCCCOC 34a_100000740835_200011215066 [0,1,0,0,0,0|2,0,1]=4 3796 B11R0.81 CCCCC(C)OCCCOC 7a_100000687866_100000740836 [0,1,0,0,0,0|2,0,1]=4 3797 B11R0.81 CCCCC(C)OCCCSC 34a_100000690336_200011215066 [0,1,0,0,0,0|2,0,1]=4 3798 B11R0.81 CCCCC(C)OCCCSC 7a_100000690336_200011215066 [0,1,0,0,0,0|2,0,1]=4 3799 B11R0.81 CCCCC(C)OCCOCC 34a_100000210136_200011215066 [0,1,0,0,0,0|2,0,1]=4 3800 B11R0.81 CCCCC(C)OCCOCC 34a_100000687866_100000210147 [0,1,0,0,0,0|2,0,1]=4 3801 B11R0.81 CCCCC(C)OCCOCC 7a_100000210136_200011215066 [0,1,0,0,0,0|2,0,1]=4 3802 B11R0.81 CCCCC(C)OCCOCC 7a_100000687866_100011215890 [0,1,0,0,0,0|2,0,1]=4 3803 B11R0.81 CCCCC(C)OCCSCC 34a_100000212035_200011215066 [0,1,0,0,0,0|2,0,1]=4 3804 B11R0.81 CCCCC(C)OCCSCC 34a_100000687866_100000757381 [0,1,0,0,0,0|2,0,1]=4 3805 B11R0.81 CCCCC(C)OCCSCC 7a_100000212035_200011215066 [0,1,0,0,0,0|2,0,1]=4 3806 B11R0.81 CCCCC(C)OCCSCC 7a_100000687866_100000757381 [0,1,0,0,0,0|2,0,1]=4 3807 B11R0.81 CCCCC=CC(=O)CCC#N 1458a_100016266645_100011215226 [0,1,0,0,0,0|1,0,2]=4 3808 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [0,1,0,0,0,0|1,0,1]=3 3809 B11R0.81 CCCCC=CC(=O)CCCF 1458a_100016266645_100011934791 [0,1,0,0,0,0|1,0,1]=3 3810 B11R0.81 CCCCC=CC(=O)CCCO 1458a_100016266645_100011215043 [0,1,0,0,0,0|1,0,1]=3 3811 B11R0.81 CCCCC=CC(=O)CCOC 1458a_100016266645_100000233755 [0,1,0,0,0,0|1,0,1]=3 3812 B11R0.81 CCCCC=CC(=O)CCSC 1458a_100016266645_100000751147 [0,1,0,0,0,0|1,0,1]=3 3813 B11R0.81 CCCCC=CC(=O)NCCC 11a_100020643023_100016266645 [0,1,0,0,0,0|1,0,1]=3 3814 B11R0.81 CCCCC=CC(=O)NCCC 1626a_100020643023_100016266645 [0,1,0,0,0,0|1,0,1]=3 3815 B11R0.81 CCCCC=CC(=O)NCCC 240690a_100020643023_100016266645 [0,1,0,0,0,0|1,0,1]=3 3816 B11R0.81 CCCCC=CC(=O)NCCF 11a_100000724931_100016266645 [0,1,0,0,0,0|2,0,1]=4 3817 B11R0.81 CCCCC=CC(=O)NCCF 1626a_100000724931_100016266645 [0,1,0,0,0,0|2,0,1]=4 3818 B11R0.81 CCCCC=CC(=O)NCCF 240690a_100000724931_100016266645 [0,1,0,0,0,0|2,0,1]=4 3819 B11R0.81 CCCCC=CC(=O)NCCO 240690a_100000210304_100016266645 [0,1,0,0,0,0|2,0,1]=4 3820 B11R0.81 CCCCC=CC(=O)NNCC 22a_100000756455_100016266645 [0,1,0,0,0,0|2,0,1]=4 3821 B11R0.81 CCCCCCC(=NNCC)C 4a_100000756455_100000210826 [0,1,0,0,0,0|3,0,0]=4 3822 B11R0.81 CCCCCCC(=O)C#CCO 1458a_100000049017_100000210757 [0,1,0,0,0,0|1,0,2]=4 3823 B11R0.81 CCCCCCC(=O)C=COC 1458a_100016268678_100000210757 [0,1,0,0,0,0|1,0,2]=4 3824 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [0,1,0,0,0,0|1,0,1]=3 3825 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [0,1,0,0,0,0|1,0,1]=3 3826 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,1,0,0,0,0|1,0,0]=2 3827 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,1,0,0,0,0|1,0,0]=2 3828 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,1,0,0,0,0|1,0,0]=2 3829 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,1,0,0,0,0|1,0,0]=2 3830 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,1,0,0,0,0|1,0,0]=2 3831 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,1,0,0,0,0|1,0,0]=2 3832 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,1,0,0,0,0|1,0,0]=2 3833 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,1,0,0,0,0|1,0,0]=2 3834 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,1,0,0,0,0|1,0,0]=2 3835 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [0,1,0,0,0,0|1,0,0]=2 3836 B11R0.81 CCCCCCC(=O)NCC#N 1626a_100000734998_100102632555 [0,1,0,0,0,0|2,0,1]=4 3837 B11R0.81 CCCCCCC(=O)NCC#N 527a_100000734998_100102632555 [0,1,0,0,0,0|2,0,1]=4 3838 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [0,1,0,0,0,0|1,0,0]=2 3839 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [0,1,0,0,0,0|1,0,0]=2 3840 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [0,1,0,0,0,0|1,0,0]=2 3841 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [0,1,0,0,0,0|1,0,0]=2 3842 B11R0.81 CCCCCCC(=O)NCCF 11a_100000724931_100102632555 [0,1,0,0,0,0|2,0,0]=3 3843 B11R0.81 CCCCCCC(=O)NCCF 1626a_100000724931_100102632555 [0,1,0,0,0,0|2,0,0]=3 3844 B11R0.81 CCCCCCC(=O)NCCF 240690a_100000724931_100102632555 [0,1,0,0,0,0|2,0,0]=3 3845 B11R0.81 CCCCCCC(=O)NCCF 527a_100000724931_100102632555 [0,1,0,0,0,0|2,0,0]=3 3846 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [0,1,0,0,0,0|2,0,0]=3 3847 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [0,1,0,0,0,0|2,0,0]=3 3848 B11R0.81 CCCCCCC(=O)NNCC 22a_100000756455_100102632555 [0,1,0,0,0,0|2,0,0]=3 3849 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [0,1,0,0,0,0|2,0,1]=4 3850 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [0,1,0,0,0,0|2,0,1]=4 3851 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [0,1,0,0,0,0|2,0,1]=4 3852 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [0,1,0,0,0,0|2,0,1]=4 3853 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [0,1,0,0,0,0|2,0,1]=4 3854 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [0,1,0,0,0,0|2,0,1]=4 3855 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [0,1,0,0,0,0|2,0,1]=4 3856 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [0,1,0,0,0,0|2,0,1]=4 3857 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [0,1,0,0,0,0|2,0,1]=4 3858 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [0,1,0,0,0,0|2,0,1]=4 3859 B11R0.81 CCCCCCC(C)SCCC 62a_100000210303_100011215978 [0,1,0,0,0,0|2,0,1]=4 3860 B11R0.81 CCCCCCC(C)SCCC 62a_100011215978_100000210303 [0,1,0,0,0,0|2,0,1]=4 3861 B11R0.81 CCCCCCN(C)CCCC 2230a_100000207549_100000210314 [0,1,0,0,0,0|3,0,0]=4 3862 B11R0.81 CCCCCCN(C)CCCC 2230a_106256046315_100000210211 [0,1,0,0,0,0|3,0,0]=4 3863 B11R0.81 CCCCCCN(C)CCCC 2230a_200000207677_200000210301 [0,1,0,0,0,0|3,0,0]=4 3864 B11R0.81 CCCCCCN(C)CCCC 269982a_100000207549_100000210757 [0,1,0,0,0,0|3,0,0]=4 3865 B11R0.81 CCCCCCN(C)CCCC 269982a_106256046315_100000210211 [0,1,0,0,0,0|3,0,0]=4 3866 B11R0.81 CCCCCCN(C)CCCC 269982a_200000207677_200000210301 [0,1,0,0,0,0|3,0,0]=4 3867 B11R0.81 CCCCCCN(C)CCCF 2230a_106256046315_100011934791 [0,1,0,0,0,0|3,0,0]=4 3868 B11R0.81 CCCCCCN(C)CCCF 269982a_106256046315_100011934791 [0,1,0,0,0,0|3,0,0]=4 3869 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [0,1,0,0,0,0|3,0,0]=4 3870 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [0,1,0,0,0,0|3,0,0]=4 3871 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [0,1,0,0,0,0|3,0,0]=4 3872 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [0,1,0,0,0,0|3,0,0]=4 3873 B11R0.81 CCCCCCN(C)CCOC 2230a_100000743101_100000210314 [0,1,0,0,0,0|3,0,0]=4 3874 B11R0.81 CCCCCCN(C)CCOC 2230a_106256046315_100011201679 [0,1,0,0,0,0|3,0,0]=4 3875 B11R0.81 CCCCCCN(C)CCOC 269982a_100000743101_100000210757 [0,1,0,0,0,0|3,0,0]=4 3876 B11R0.81 CCCCCCN(C)CCOC 269982a_106256046315_100000233755 [0,1,0,0,0,0|3,0,0]=4 3877 B11R0.81 CCCCCCN(C)CCSC 2230a_100000686725_100000210314 [0,1,0,0,0,0|3,0,0]=4 3878 B11R0.81 CCCCCCN(C)CCSC 2230a_106256046315_100000751147 [0,1,0,0,0,0|3,0,0]=4 3879 B11R0.81 CCCCCCN(C)CCSC 269982a_100000686725_100000210757 [0,1,0,0,0,0|3,0,0]=4 3880 B11R0.81 CCCCCCN(C)CCSC 269982a_106256046315_100000212216 [0,1,0,0,0,0|3,0,0]=4 3881 B11R0.81 CCCCCCN(C)COCC 269982a_106256046315_100000739092 [0,1,0,0,0,0|3,0,0]=4 3882 B11R0.81 CCCCCCN([13CH3])CCCC 2230a_200000207677_200025704644 [0,1,0,0,0,0|3,0,0]=4 3883 B11R0.81 CCCCCCN([13CH3])CCCC 269982a_200000207677_200025704644 [0,1,0,0,0,0|3,0,0]=4 3884 B11R0.81 CCCCCNC(=O)C=COC 1626a_100000209983_100016268678 [0,1,0,0,0,0|1,0,2]=4 3885 B11R0.81 CCCCCNC(=O)C=COC 240690a_100000209983_100016268678 [0,1,0,0,0,0|1,0,2]=4 3886 B11R0.81 CCCCCNC(=O)CCC#N 11a_100000209983_100011934036 [0,1,0,0,0,0|1,0,1]=3 3887 B11R0.81 CCCCCNC(=O)CCC#N 1626a_100000209983_100011934036 [0,1,0,0,0,0|1,0,1]=3 3888 B11R0.81 CCCCCNC(=O)CCC#N 240690a_100000209983_100011934036 [0,1,0,0,0,0|1,0,1]=3 3889 B11R0.81 CCCCCNC(=O)CCC#N 527a_100000209983_100011934036 [0,1,0,0,0,0|1,0,1]=3 3890 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [0,1,0,0,0,0|1,0,0]=2 3891 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [0,1,0,0,0,0|1,0,0]=2 3892 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [0,1,0,0,0,0|1,0,0]=2 3893 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [0,1,0,0,0,0|1,0,0]=2 3894 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [0,1,0,0,0,0|1,0,0]=2 3895 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [0,1,0,0,0,0|1,0,0]=2 3896 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [0,1,0,0,0,0|1,0,0]=2 3897 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [0,1,0,0,0,0|1,0,0]=2 3898 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [0,1,0,0,0,0|1,0,0]=2 3899 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [0,1,0,0,0,0|1,0,0]=2 3900 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [0,1,0,0,0,0|1,0,0]=2 3901 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [0,1,0,0,0,0|1,0,0]=2 3902 B11R0.81 CCCCCNC(=O)CN=[N+]=[N-] 11a_100000209983_100000751907 [0,1,0,0,0,0|3,0,0]=4 3903 B11R0.81 CCCCCNC(=O)CN=[N+]=[N-] 240690a_100000209983_100000751907 [0,1,0,0,0,0|3,0,0]=4 3904 B11R0.81 CCCCCNC(=O)CNCC 2230a_100015525214_100000230301 [0,1,0,0,0,0|1,0,0]=2 3905 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [0,1,0,0,0,0|1,0,0]=2 3906 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [0,1,0,0,0,0|1,0,0]=2 3907 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [0,1,0,0,0,0|1,0,0]=2 3908 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [0,1,0,0,0,0|1,0,0]=2 3909 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [0,1,0,0,0,0|1,0,0]=2 3910 B11R0.81 CCCCCNC(=O)CSCC 11a_100000209983_100000230394 [0,1,0,0,0,0|1,0,0]=2 3911 B11R0.81 CCCCCNC(=O)CSCC 1626a_100000209983_100000230394 [0,1,0,0,0,0|1,0,0]=2 3912 B11R0.81 CCCCCNC(=O)CSCC 240690a_100000209983_100000230394 [0,1,0,0,0,0|1,0,0]=2 3913 B11R0.81 CCCCCNC(=O)CSCC 527a_100000209983_100000230394 [0,1,0,0,0,0|1,0,0]=2 3914 B11R0.81 CCCCCNC(=O)CSCC 62a_100000210202_100000230301 [0,1,0,0,0,0|1,0,0]=2 3915 B11R0.81 CCCCCNC(=O)CSCC 62a_100000230301_100000210202 [0,1,0,0,0,0|1,0,0]=2 3916 B11R0.81 CCCCCNC(=O)CSCF 62a_100000230301_100015361967 [0,1,0,0,0,0|2,0,0]=3 3917 B11R0.81 CCCCCNC(=O)CSCF 62a_100015361967_100000230301 [0,1,0,0,0,0|2,0,0]=3 3918 B11R0.81 CCCCCNC(=O)NCC#N 2708a_100000734998_100000209983 [0,1,0,0,0,0|2,0,1]=4 3919 B11R0.81 CCCCCNC(=O)NCC#N 273464a_100000209983_100000734998 [0,1,0,0,0,0|2,0,1]=4 3920 B11R0.81 CCCCCNC(=O)NCC#N 273464a_100000734998_100000209983 [0,1,0,0,0,0|2,0,1]=4 3921 B11R0.81 CCCCCNC(=O)NCC#N 512a_100000209983_100000734998 [0,1,0,0,0,0|2,0,1]=4 3922 B11R0.81 CCCCCNC(=O)NCC#N 512a_100000734998_100000209983 [0,1,0,0,0,0|2,0,1]=4 3923 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [0,1,0,0,0,0|1,0,0]=2 3924 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [0,1,0,0,0,0|1,0,0]=2 3925 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [0,1,0,0,0,0|1,0,0]=2 3926 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [0,1,0,0,0,0|1,0,0]=2 3927 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [0,1,0,0,0,0|1,0,0]=2 3928 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [0,1,0,0,0,0|1,0,0]=2 3929 B11R0.81 CCCCCNC(=O)NCCF 2708a_100000209983_100000724931 [0,1,0,0,0,0|2,0,0]=3 3930 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000209983_100000724931 [0,1,0,0,0,0|2,0,0]=3 3931 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000724931_100000209983 [0,1,0,0,0,0|2,0,0]=3 3932 B11R0.81 CCCCCNC(=O)NCCF 512a_100000209983_100000724931 [0,1,0,0,0,0|2,0,0]=3 3933 B11R0.81 CCCCCNC(=O)NCCO 2708a_100000209983_100000210304 [0,1,0,0,0,0|2,0,0]=3 3934 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000209983_100000210304 [0,1,0,0,0,0|2,0,0]=3 3935 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000210304_100000209983 [0,1,0,0,0,0|2,0,0]=3 3936 B11R0.81 CCCCCNC(=O)NCCO 512a_100000209983_100000210304 [0,1,0,0,0,0|2,0,0]=3 3937 B11R0.81 CCCCCNC(=O)NNCC 273464a_100000209983_100000756455 [0,1,0,0,0,0|2,0,0]=3 3938 B11R0.81 CCCCCNC(=O)NNCC 512a_100000209983_100000756455 [0,1,0,0,0,0|2,0,0]=3 3939 B11R0.81 CCCCCNC(=O)NNCC 512a_100000756455_100000209983 [0,1,0,0,0,0|2,0,0]=3 3940 B11R0.81 CCCCCNC(C)CCCC 2230a_100000126638_100000210326 [0,1,0,0,0,0|2,0,1]=4 3941 B11R0.81 CCCCCNC(C)CCCC 2230a_100000209983_200011215066 [0,1,0,0,0,0|2,0,1]=4 3942 B11R0.81 CCCCCNC(C)CCCC 270004a_100000209983_100000210087 [0,1,0,0,0,0|2,0,1]=4 3943 B11R0.81 CCCCCNC(C)CCOC 270004a_100000209983_100000742357 [0,1,0,0,0,0|2,0,1]=4 3944 B11R0.81 CCCCCNC(C)CCSC 270004a_100000209983_100011217047 [0,1,0,0,0,0|2,0,1]=4 3945 B11R0.81 CCCCCNC(C)CSCC 270004a_100000209983_200011216171 [0,1,0,0,0,0|2,0,1]=4 3946 B11R0.81 CCCCCOC(C)CCCC 34a_100000210253_200011215066 [0,1,0,0,0,0|1,0,1]=3 3947 B11R0.81 CCCCCOC(C)CCCC 34a_100000687866_100000718602 [0,1,0,0,0,0|1,0,1]=3 3948 B11R0.81 CCCCCOC(C)CCCC 7a_100000210253_200011215066 [0,1,0,0,0,0|1,0,1]=3 3949 B11R0.81 CCCCCOC(C)CCCC 7a_100000687866_100000210326 [0,1,0,0,0,0|1,0,1]=3 3950 B11R0.81 CCCCCOC(C)CCCCl 34a_200000718107_100000718602 [0,1,0,0,0,0|1,0,1]=3 3951 B11R0.81 CCCCCOC(C)CCCCl 7a_200000718107_100000210326 [0,1,0,0,0,0|1,0,1]=3 3952 B11R0.81 CCCCCOC(C)COCC 34a_100000718985_100000718602 [0,1,0,0,0,0|1,0,1]=3 3953 B11R0.81 CCCCCOC(C)COCC 7a_100000718985_100000210326 [0,1,0,0,0,0|1,0,1]=3 3954 B11R0.81 CCCCCSC(C)CCCC 62a_100000210326_200011215066 [0,1,0,0,0,0|1,1,1]=4 3955 B11R0.81 CCCCCSC(C)CCCC 62a_200011215066_100000210326 [0,1,0,0,0,0|1,1,1]=4 3956 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000102301_100000183358 [0,1,0,0,0,0|2,0,0]=3 3957 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000174927_100000210211 [0,1,0,0,0,0|2,0,0]=3 3958 B11R0.81 CCCCNCC(=O)NCCC 7a_106832991798_100000183358 [0,1,0,0,0,0|2,0,0]=3 3959 B11R0.81 CCCCNCC(=O)NCCF 2230a_100000725713_100000210211 [0,1,0,0,0,0|3,0,0]=4 3960 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [0,1,0,0,0,0|2,0,0]=3 3961 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [0,1,0,0,0,0|2,0,0]=3 3962 B11R0.81 CCCCNN=C(C)CCCC 4a_100025702795_100000210087 [0,1,0,0,0,0|3,0,0]=4 3963 B11R0.81 CCCCNN=C(C)CCCO 4a_100025702795_100000759063 [0,1,0,0,0,0|3,0,0]=4 3964 B11R0.81 CCCCNN=C(C)CCOC 4a_100025702795_100000742357 [0,1,0,0,0,0|3,0,0]=4 3965 B11R0.81 CCCCNN=C(C)CCSC 4a_100025702795_100011217047 [0,1,0,0,0,0|3,0,0]=4 3966 B11R0.81 CCCCNN=C(C)CSCC 4a_100025702795_200011216171 [0,1,0,0,0,0|3,0,0]=4 3967 B11R0.81 CCCCNNC(=O)CCC#N 22a_100025702795_100011934036 [0,1,0,0,0,0|2,0,1]=4 3968 B11R0.81 CCCCNNC(=O)CCCC 22a_100025702795_100000210183 [0,1,0,0,0,0|2,0,0]=3 3969 B11R0.81 CCCCNNC(=O)CCOC 22a_100025702795_100000749529 [0,1,0,0,0,0|2,0,0]=3 3970 B11R0.81 CCCCNNC(=O)CCSC 22a_100025702795_100000174002 [0,1,0,0,0,0|2,0,0]=3 3971 B11R0.81 CCCCNNC(=O)COCC 22a_100025702795_100000211967 [0,1,0,0,0,0|2,0,0]=3 3972 B11R0.81 CCCCNNC(=O)CSCC 22a_100025702795_100000230394 [0,1,0,0,0,0|2,0,0]=3 3973 B11R0.81 CCCCNNC(=O)NCCC 273464a_100020643023_100025702795 [0,1,0,0,0,0|2,0,0]=3 3974 B11R0.81 CCCCNNC(=O)NCCC 512a_100020643023_100025702795 [0,1,0,0,0,0|2,0,0]=3 3975 B11R0.81 CCCCNNC(=O)NCCC 512a_100025702795_100020643023 [0,1,0,0,0,0|2,0,0]=3 3976 B11R0.81 CCCCNNC(=O)NCCF 273464a_100000724931_100025702795 [0,1,0,0,0,0|3,0,0]=4 3977 B11R0.81 CCCCNNC(=O)NCCF 512a_100025702795_100000724931 [0,1,0,0,0,0|3,0,0]=4 3978 B11R0.81 CCCCNNC(=O)NCCO 273464a_100000210304_100025702795 [0,1,0,0,0,0|3,0,0]=4 3979 B11R0.81 CCCCNNC(=O)NCCO 512a_100025702795_100000210304 [0,1,0,0,0,0|3,0,0]=4 3980 B11R0.81 CCCCNNC(=O)NNCC 512a_100000756455_100025702795 [0,1,0,0,0,0|3,0,0]=4 3981 B11R0.81 CCCCNNC(=O)NNCC 512a_100025702795_100000756455 [0,1,0,0,0,0|3,0,0]=4 3982 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100000757543_100011215226 [0,1,0,0,0,0|2,0,1]=4 3983 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100011934036_100011995733 [0,1,0,0,0,0|2,0,1]=4 3984 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [0,1,0,0,0,0|2,0,0]=3 3985 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [0,1,0,0,0,0|2,0,0]=3 3986 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [0,1,0,0,0,0|2,0,0]=3 3987 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [0,1,0,0,0,0|2,0,0]=3 3988 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [0,1,0,0,0,0|2,0,0]=3 3989 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [0,1,0,0,0,0|2,0,0]=3 3990 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000174002_100011995733 [0,1,0,0,0,0|2,0,0]=3 3991 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000757543_100000751147 [0,1,0,0,0,0|2,0,0]=3 3992 B11R0.81 CCCCOCC(=O)COCC 1458a_100000211967_100011995733 [0,1,0,0,0,0|2,0,0]=3 3993 B11R0.81 CCCCOCC(=O)CSCC 1458a_100000230394_100011995733 [0,1,0,0,0,0|2,0,0]=3 3994 B11R0.81 CCCCOCC(=O)NCCC 11a_100020643023_100000757543 [0,1,0,0,0,0|2,0,0]=3 3995 B11R0.81 CCCCOCC(=O)NCCC 1626a_100020643023_100000757543 [0,1,0,0,0,0|2,0,0]=3 3996 B11R0.81 CCCCOCC(=O)NCCC 240690a_100020643023_100000757543 [0,1,0,0,0,0|2,0,0]=3 3997 B11R0.81 CCCCOCC(=O)NCCC 34a_100000210227_100000183358 [0,1,0,0,0,0|2,0,0]=3 3998 B11R0.81 CCCCOCC(=O)NCCC 527a_100020643023_100000757543 [0,1,0,0,0,0|2,0,0]=3 3999 B11R0.81 CCCCOCC(=O)NCCC 7a_100000210227_100000183358 [0,1,0,0,0,0|2,0,0]=3 4000 B11R0.81 CCCCOCC(=O)NCCF 11a_100000724931_100000757543 [0,1,0,0,0,0|3,0,0]=4 4001 B11R0.81 CCCCOCC(=O)NCCF 1626a_100000724931_100000757543 [0,1,0,0,0,0|3,0,0]=4 4002 B11R0.81 CCCCOCC(=O)NCCF 240690a_100000724931_100000757543 [0,1,0,0,0,0|3,0,0]=4 4003 B11R0.81 CCCCOCC(=O)NCCF 527a_100000724931_100000757543 [0,1,0,0,0,0|3,0,0]=4 4004 B11R0.81 CCCCOCC(=O)NCCO 240690a_100000210304_100000757543 [0,1,0,0,0,0|3,0,0]=4 4005 B11R0.81 CCCCOCC(=O)NCCO 527a_100000210304_100000757543 [0,1,0,0,0,0|3,0,0]=4 4006 B11R0.81 CCCCOCC(=O)NNCC 22a_100000756455_100000757543 [0,1,0,0,0,0|3,0,0]=4 4007 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [0,1,0,0,0,0|2,0,0]=3 4008 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [0,1,0,0,0,0|2,0,0]=3 4009 B11R0.81 CCCCSCC(=O)CCC#N 1458a_100000191162_100011215226 [0,1,0,0,0,0|2,0,1]=4 4010 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [0,1,0,0,0,0|2,0,0]=3 4011 B11R0.81 CCCCSCC(=O)CCCF 1458a_100000191162_100011934791 [0,1,0,0,0,0|2,0,0]=3 4012 B11R0.81 CCCCSCC(=O)CCCO 1458a_100000191162_100011215043 [0,1,0,0,0,0|2,0,0]=3 4013 B11R0.81 CCCCSCC(=O)CCOC 1458a_100000191162_100000233755 [0,1,0,0,0,0|2,0,0]=3 4014 B11R0.81 CCCCSCC(=O)CCSC 1458a_100000191162_100000751147 [0,1,0,0,0,0|2,0,0]=3 4015 B11R0.81 CCCCSCC(=O)NCCC 11a_100020643023_100000191162 [0,1,0,0,0,0|2,0,0]=3 4016 B11R0.81 CCCCSCC(=O)NCCC 1626a_100020643023_100000191162 [0,1,0,0,0,0|2,0,0]=3 4017 B11R0.81 CCCCSCC(=O)NCCC 240690a_100020643023_100000191162 [0,1,0,0,0,0|2,0,0]=3 4018 B11R0.81 CCCCSCC(=O)NCCC 527a_100020643023_100000191162 [0,1,0,0,0,0|2,0,0]=3 4019 B11R0.81 CCCCSCC(=O)NCCC 62a_100000183358_100000210210 [0,1,0,0,0,0|2,0,0]=3 4020 B11R0.81 CCCCSCC(=O)NCCC 62a_100000210211_100000183358 [0,1,0,0,0,0|2,0,0]=3 4021 B11R0.81 CCCCSCC(=O)NCCF 11a_100000724931_100000191162 [0,1,0,0,0,0|3,0,0]=4 4022 B11R0.81 CCCCSCC(=O)NCCF 1626a_100000724931_100000191162 [0,1,0,0,0,0|3,0,0]=4 4023 B11R0.81 CCCCSCC(=O)NCCF 240690a_100000724931_100000191162 [0,1,0,0,0,0|3,0,0]=4 4024 B11R0.81 CCCCSCC(=O)NCCF 527a_100000724931_100000191162 [0,1,0,0,0,0|3,0,0]=4 4025 B11R0.81 CCCCSCC(=O)NCCO 240690a_100000210304_100000191162 [0,1,0,0,0,0|3,0,0]=4 4026 B11R0.81 CCCCSCC(=O)NCCO 527a_100000210304_100000191162 [0,1,0,0,0,0|3,0,0]=4 4027 B11R0.81 CCCCSCC(=O)NNCC 22a_100000756455_100000191162 [0,1,0,0,0,0|3,0,0]=4 4028 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [0,1,0,0,0,0|2,0,0]=3 4029 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [0,1,0,0,0,0|2,0,0]=3 4030 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [0,1,0,0,0,0|2,0,0]=3 4031 B11R0.81 CCCNC(=O)CCCNCC 2230a_100015525214_100011194427 [0,1,0,0,0,0|2,0,0]=3 4032 B11R0.81 CCCNC(=O)CCCSCC 62a_100000210202_100011194427 [0,1,0,0,0,0|2,0,0]=3 4033 B11R0.81 CCCNC(=O)CCCSCC 62a_100011194427_100000210202 [0,1,0,0,0,0|2,0,0]=3 4034 B11R0.81 CCCNC(=O)CCCSCF 62a_100011194427_100015361967 [0,1,0,0,0,0|3,0,0]=4 4035 B11R0.81 CCCNC(=O)CCCSCF 62a_100015361967_100011194427 [0,1,0,0,0,0|3,0,0]=4 4036 B11R0.81 CCCNC(=O)CCOCCO 1626a_100020643023_100011229844 [0,1,0,0,0,0|3,0,0]=4 4037 B11R0.81 CCCNC(=O)CCOCCO 240690a_100020643023_100011229844 [0,1,0,0,0,0|3,0,0]=4 4038 B11R0.81 CCCNC(=O)CNCCCF 2230a_100000174927_100011934791 [0,1,0,0,0,0|3,0,0]=4 4039 B11R0.81 CCCNC(=O)CNCCCF 2230a_100015189416_100000183358 [0,1,0,0,0,0|3,0,0]=4 4040 B11R0.81 CCCNC(=O)CNCCCF 34a_100015189416_100000183358 [0,1,0,0,0,0|3,0,0]=4 4041 B11R0.81 CCCNC(=O)CNCCCO 2230a_100000174927_100000230001 [0,1,0,0,0,0|3,0,0]=4 4042 B11R0.81 CCCNC(=O)CNCCOC 2230a_100000174927_100011201679 [0,1,0,0,0,0|3,0,0]=4 4043 B11R0.81 CCCNC(=O)CNCCOC 2230a_100000209980_100000183358 [0,1,0,0,0,0|3,0,0]=4 4044 B11R0.81 CCCNC(=O)CNCCSC 2230a_100000174927_100000751147 [0,1,0,0,0,0|3,0,0]=4 4045 B11R0.81 CCCNC(=O)CNCCSC 2230a_100020590264_100000183358 [0,1,0,0,0,0|3,0,0]=4 4046 B11R0.81 CCCNC(=O)COCCCBr 34a_100011217188_100000183358 [0,1,0,0,0,0|3,0,0]=4 4047 B11R0.81 CCCNC(=O)COCCCCl 34a_100000230001_100000183358 [0,1,0,0,0,0|3,0,0]=4 4048 B11R0.81 CCCNC(=O)COCCCF 34a_100000759539_100000183358 [0,1,0,0,0,0|3,0,0]=4 4049 B11R0.81 CCCNC(=O)COCCCN 34a_100000182051_100000183358 [0,1,0,0,0,0|3,0,0]=4 4050 B11R0.81 CCCNC(=O)COCCOC 11a_100020643023_100000211095 [0,1,0,0,0,0|3,0,0]=4 4051 B11R0.81 CCCNC(=O)COCCOC 1626a_100020643023_100000211095 [0,1,0,0,0,0|3,0,0]=4 4052 B11R0.81 CCCNC(=O)COCCOC 240690a_100020643023_100000211095 [0,1,0,0,0,0|3,0,0]=4 4053 B11R0.81 CCCNC(=O)COCCOC 34a_100000210237_100000183358 [0,1,0,0,0,0|3,0,0]=4 4054 B11R0.81 CCCNC(=O)COCCOC 527a_100020643023_100000211095 [0,1,0,0,0,0|3,0,0]=4 4055 B11R0.81 CCCNC(=O)COCCSC 34a_100000230434_100000183358 [0,1,0,0,0,0|3,0,0]=4 4056 B11R0.81 CCCNC(=O)COCCSC 7a_100000230434_100000183358 [0,1,0,0,0,0|3,0,0]=4 4057 B11R0.81 CCCNC(=O)CSCCCF 62a_100000183358_100011934791 [0,1,0,0,0,0|3,0,0]=4 4058 B11R0.81 CCCNC(=O)CSCCCF 62a_100011934791_100000183358 [0,1,0,0,0,0|3,0,0]=4 4059 B11R0.81 CCCNC(=O)CSCCCO 62a_100000183358_100011215043 [0,1,0,0,0,0|3,0,0]=4 4060 B11R0.81 CCCNC(=O)CSCCCO 62a_100011215043_100000183358 [0,1,0,0,0,0|3,0,0]=4 4061 B11R0.81 CCCNC(=O)CSCCOC 62a_100000183358_100000233755 [0,1,0,0,0,0|3,0,0]=4 4062 B11R0.81 CCCNC(=O)CSCCOC 62a_100000233755_100000183358 [0,1,0,0,0,0|3,0,0]=4 4063 B11R0.81 CCCNC(=O)CSCCSC 62a_100000183358_100000751147 [0,1,0,0,0,0|3,0,0]=4 4064 B11R0.81 CCCNC(=O)CSCCSC 62a_100000212216_100000183358 [0,1,0,0,0,0|3,0,0]=4 4065 B11R0.81 CCCNC(=O)CSCOCC 62a_100000183358_100000739092 [0,1,0,0,0,0|3,0,0]=4 4066 B11R0.81 CCCNC(=O)CSCOCC 62a_100000739092_100000183358 [0,1,0,0,0,0|3,0,0]=4 4067 B11R0.81 CCCNC(=O)NCCCCO 2708a_100000750430_100020643023 [0,1,0,0,0,0|2,0,0]=3 4068 B11R0.81 CCCNC(=O)NCCCCO 2708a_100020643023_100000750430 [0,1,0,0,0,0|2,0,0]=3 4069 B11R0.81 CCCNC(=O)NCCCCO 273464a_100000750430_100020643023 [0,1,0,0,0,0|2,0,0]=3 4070 B11R0.81 CCCNC(=O)NCCCCO 273464a_100020643023_100000750430 [0,1,0,0,0,0|2,0,0]=3 4071 B11R0.81 CCCNC(=O)NCCCCO 512a_100000750430_100020643023 [0,1,0,0,0,0|2,0,0]=3 4072 B11R0.81 CCCNC(=O)NCCCCO 512a_100020643023_100000750430 [0,1,0,0,0,0|2,0,0]=3 4073 B11R0.81 CCCNC(=O)NCCCOC 2708a_100020643023_100150723488 [0,1,0,0,0,0|2,0,0]=3 4074 B11R0.81 CCCNC(=O)NCCCOC 2708a_100150723488_100020643023 [0,1,0,0,0,0|2,0,0]=3 4075 B11R0.81 CCCNC(=O)NCCCOC 273464a_100020643023_100150723488 [0,1,0,0,0,0|2,0,0]=3 4076 B11R0.81 CCCNC(=O)NCCCOC 273464a_100150723488_100020643023 [0,1,0,0,0,0|2,0,0]=3 4077 B11R0.81 CCCNC(=O)NCCCOC 512a_100020643023_100150723488 [0,1,0,0,0,0|2,0,0]=3 4078 B11R0.81 CCCNC(=O)NCCCSC 2708a_100000749238_100020643023 [0,1,0,0,0,0|2,0,0]=3 4079 B11R0.81 CCCNC(=O)NCCCSC 2708a_100020643023_100000749238 [0,1,0,0,0,0|2,0,0]=3 4080 B11R0.81 CCCNC(=O)NCCCSC 273464a_100000749238_100020643023 [0,1,0,0,0,0|2,0,0]=3 4081 B11R0.81 CCCNC(=O)NCCCSC 273464a_100020643023_100000749238 [0,1,0,0,0,0|2,0,0]=3 4082 B11R0.81 CCCNC(=O)NCCCSC 512a_100000749238_100020643023 [0,1,0,0,0,0|2,0,0]=3 4083 B11R0.81 CCCNC(=O)NCCCSC 512a_100020643023_100000749238 [0,1,0,0,0,0|2,0,0]=3 4084 B11R0.81 CCCNC(=O)NCCOCC 2708a_100011200944_100020643023 [0,1,0,0,0,0|2,0,0]=3 4085 B11R0.81 CCCNC(=O)NCCOCC 2708a_100020643023_100011200944 [0,1,0,0,0,0|2,0,0]=3 4086 B11R0.81 CCCNC(=O)NCCOCC 273464a_100020643023_102516460346 [0,1,0,0,0,0|2,0,0]=3 4087 B11R0.81 CCCNC(=O)NCCOCC 273464a_102516460346_100020643023 [0,1,0,0,0,0|2,0,0]=3 4088 B11R0.81 CCCNC(=O)NCCOCC 512a_100011200944_100020643023 [0,1,0,0,0,0|2,0,0]=3 4089 B11R0.81 CCCNC(=O)NCCOCC 512a_100020643023_100011200944 [0,1,0,0,0,0|2,0,0]=3 4090 B11R0.81 CCCNC(=O)NCCSCC 2708a_100000106463_100020643023 [0,1,0,0,0,0|2,0,0]=3 4091 B11R0.81 CCCNC(=O)NCCSCC 2708a_100020643023_100000106463 [0,1,0,0,0,0|2,0,0]=3 4092 B11R0.81 CCCNC(=O)NCCSCC 273464a_100000106463_100020643023 [0,1,0,0,0,0|2,0,0]=3 4093 B11R0.81 CCCNC(=O)NCCSCC 273464a_100020643023_100000106463 [0,1,0,0,0,0|2,0,0]=3 4094 B11R0.81 CCCNC(=O)NCCSCC 512a_100000106463_100020643023 [0,1,0,0,0,0|2,0,0]=3 4095 B11R0.81 CCCNC(=O)NCCSCC 512a_100020643023_100000106463 [0,1,0,0,0,0|2,0,0]=3 4096 B11R0.81 CCCNC(=O)NNCCOC 273464a_100020643023_100000741390 [0,1,0,0,0,0|3,0,0]=4 4097 B11R0.81 CCCOC(=O)CNCCCF 2230a_100015189416_200011215008 [0,1,0,0,0,0|3,0,0]=4 4098 B11R0.81 CCCOC(=O)CNCCCF 34a_100015189416_200011215008 [0,1,0,0,0,0|3,0,0]=4 4099 B11R0.81 CCCOC(=O)CNCCOC 2230a_100000209980_200011215008 [0,1,0,0,0,0|3,0,0]=4 4100 B11R0.81 CCCOC(=O)CNCCSC 2230a_100020590264_200011215008 [0,1,0,0,0,0|3,0,0]=4 4101 B11R0.81 CCCOC(=O)COCCCBr 34a_100011217188_200011215008 [0,1,0,0,0,0|3,0,0]=4 4102 B11R0.81 CCCOC(=O)COCCCCl 34a_100000230001_200011215008 [0,1,0,0,0,0|3,0,0]=4 4103 B11R0.81 CCCOC(=O)COCCCF 34a_100000759539_200011215008 [0,1,0,0,0,0|3,0,0]=4 4104 B11R0.81 CCCOC(=O)COCCCN 34a_100000182051_200011215008 [0,1,0,0,0,0|3,0,0]=4 4105 B11R0.81 CCCOC(=O)COCCOC 34a_100000210237_200011215008 [0,1,0,0,0,0|3,0,0]=4 4106 B11R0.81 CCCOC(=O)COCCSC 34a_100000230434_200011215008 [0,1,0,0,0,0|3,0,0]=4 4107 B11R0.81 CCCOC(=O)COCCSC 7a_100000230434_200011215008 [0,1,0,0,0,0|3,0,0]=4 4108 B11R0.81 CCCOC(=O)CSCCCF 62a_100011934791_200011215008 [0,1,0,0,0,0|3,0,0]=4 4109 B11R0.81 CCCOC(=O)CSCCCF 62a_200011215008_100011934791 [0,1,0,0,0,0|3,0,0]=4 4110 B11R0.81 CCCOC(=O)CSCCCO 62a_100011215043_200011215008 [0,1,0,0,0,0|3,0,0]=4 4111 B11R0.81 CCCOC(=O)CSCCCO 62a_200011215008_100011215043 [0,1,0,0,0,0|3,0,0]=4 4112 B11R0.81 CCCOC(=O)CSCCOC 62a_100000233755_200011215008 [0,1,0,0,0,0|3,0,0]=4 4113 B11R0.81 CCCOC(=O)CSCCOC 62a_200011215008_100000233755 [0,1,0,0,0,0|3,0,0]=4 4114 B11R0.81 CCCOC(=O)CSCCSC 62a_100000212216_200011215008 [0,1,0,0,0,0|3,0,0]=4 4115 B11R0.81 CCCOC(=O)CSCCSC 62a_200011215008_100000751147 [0,1,0,0,0,0|3,0,0]=4 4116 B11R0.81 CCCOC(=O)CSCOCC 62a_100000739092_200011215008 [0,1,0,0,0,0|3,0,0]=4 4117 B11R0.81 CCCOC(=O)CSCOCC 62a_200011215008_100000739092 [0,1,0,0,0,0|3,0,0]=4 4118 B11R0.81 CCCOC(=O)OCNCCF 34a_100000724931_200000139673 [0,1,0,0,0,0|2,0,0]=3 4119 B11R0.81 CCCOC(=O)OCNCCO 34a_100016990907_200000139673 [0,1,0,0,0,0|2,0,0]=3 4120 B11R0.81 CCCOC(=O)OCOCCBr 34a_100000211926_200000139673 [0,1,0,0,0,0|2,0,0]=3 4121 B11R0.81 CCCOC(=O)OCOCCN 34a_100000210304_200000139673 [0,1,0,0,0,0|2,0,0]=3 4122 B11R0.81 CCCOC(=O)OCSCC#N 62a_100011215382_200000139673 [0,1,0,0,0,0|2,0,1]=4 4123 B11R0.81 CCCOC(=O)OCSCC=O 62a_200015260668_200000139673 [0,1,0,0,0,0|2,0,1]=4 4124 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [0,1,0,0,0,0|1,0,0]=2 4125 B11R0.81 CCCOC(=O)OCSCCF 62a_100011217306_200000139673 [0,1,0,0,0,0|2,0,0]=3 4126 B11R0.81 CCCOC(=O)OCSCCO 62a_100000211926_200000139673 [0,1,0,0,0,0|2,0,0]=3 4127 B11R0.81 CCCOC(=O)OCSCOC 62a_100000766300_200000139673 [0,1,0,0,0,0|2,0,0]=3 4128 B11R0.81 CCCOC(=O)OCSCSC 62a_100011218213_200000139673 [0,1,0,0,0,0|2,0,0]=3 4129 B11R0.81 CCCOCCC(=O)CCC#N 1458a_100011934036_100011215938 [0,1,0,0,0,0|2,0,1]=4 4130 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [0,1,0,0,0,0|2,0,0]=3 4131 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [0,1,0,0,0,0|2,0,0]=3 4132 B11R0.81 CCCOCCC(=O)COCC 1458a_100000211967_100011215938 [0,1,0,0,0,0|2,0,0]=3 4133 B11R0.81 CCCOCCC(=O)CSCC 1458a_100000230394_100011215938 [0,1,0,0,0,0|2,0,0]=3 4134 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [0,1,0,0,0,0|1,0,0]=2 4135 B11R0.81 CCNCC(=O)NCCCOC 2230a_100015525214_100000183178 [0,1,0,0,0,0|2,0,0]=3 4136 B11R0.81 CCNCC(=O)OCCOCC 2230a_100015525214_200000101388 [0,1,0,0,0,0|1,0,0]=2 4137 B11R0.81 CCNNC(=O)CCCCCO 22a_100000756455_100102619762 [0,1,0,0,0,0|3,0,0]=4 4138 B11R0.81 CCNNC(=O)NCCCCO 273464a_100000750430_100000756455 [0,1,0,0,0,0|3,0,0]=4 4139 B11R0.81 CCNNC(=O)NCCCCO 512a_100000750430_100000756455 [0,1,0,0,0,0|3,0,0]=4 4140 B11R0.81 CCNNC(=O)NCCCCO 512a_100000756455_100000750430 [0,1,0,0,0,0|3,0,0]=4 4141 B11R0.81 CCNNC(=O)NCCCOC 273464a_100150723488_100000756455 [0,1,0,0,0,0|3,0,0]=4 4142 B11R0.81 CCNNC(=O)NCCCOC 512a_100000756455_100150723488 [0,1,0,0,0,0|3,0,0]=4 4143 B11R0.81 CCNNC(=O)NCCCSC 273464a_100000749238_100000756455 [0,1,0,0,0,0|3,0,0]=4 4144 B11R0.81 CCNNC(=O)NCCCSC 512a_100000749238_100000756455 [0,1,0,0,0,0|3,0,0]=4 4145 B11R0.81 CCNNC(=O)NCCCSC 512a_100000756455_100000749238 [0,1,0,0,0,0|3,0,0]=4 4146 B11R0.81 CCNNC(=O)NCCOCC 273464a_102516460346_100000756455 [0,1,0,0,0,0|3,0,0]=4 4147 B11R0.81 CCNNC(=O)NCCOCC 512a_100000756455_100011200944 [0,1,0,0,0,0|3,0,0]=4 4148 B11R0.81 CCNNC(=O)NCCOCC 512a_100011200944_100000756455 [0,1,0,0,0,0|3,0,0]=4 4149 B11R0.81 CCNNC(=O)NCCSCC 273464a_100000106463_100000756455 [0,1,0,0,0,0|3,0,0]=4 4150 B11R0.81 CCNNC(=O)NCCSCC 512a_100000106463_100000756455 [0,1,0,0,0,0|3,0,0]=4 4151 B11R0.81 CCNNC(=O)NCCSCC 512a_100000756455_100000106463 [0,1,0,0,0,0|3,0,0]=4 4152 B11R0.81 CCOCC(=O)CCCCC#N 1458a_100000211967_100000211819 [0,1,0,0,0,0|2,0,1]=4 4153 B11R0.81 CCOCC(=O)CCCCCF 1458a_100000211967_100000729378 [0,1,0,0,0,0|2,0,0]=3 4154 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [0,1,0,0,0,0|2,0,0]=3 4155 B11R0.81 CCOCC(=O)CCCCOC 1458a_100000211967_100000755781 [0,1,0,0,0,0|2,0,0]=3 4156 B11R0.81 CCOCC(=O)CCOCCO 1458a_100000211967_100011215305 [0,1,0,0,0,0|3,0,0]=4 4157 B11R0.81 CCOCC(=O)NCCCCO 240690a_100000750430_100000211967 [0,1,0,0,0,0|2,0,0]=3 4158 B11R0.81 CCOCC(=O)NCCCCO 527a_100000750430_100000211967 [0,1,0,0,0,0|2,0,0]=3 4159 B11R0.81 CCOCC(=O)NCCCOC 1626a_100150723488_100000211967 [0,1,0,0,0,0|2,0,0]=3 4160 B11R0.81 CCOCC(=O)NCCCOC 240690a_100150723488_100000211967 [0,1,0,0,0,0|2,0,0]=3 4161 B11R0.81 CCOCC(=O)NCCCOC 34a_100121572206_100000183178 [0,1,0,0,0,0|2,0,0]=3 4162 B11R0.81 CCOCC(=O)NCCCOC 527a_100150723488_100000211967 [0,1,0,0,0,0|2,0,0]=3 4163 B11R0.81 CCOCC(=O)NCCCSC 11a_100000749238_100000211967 [0,1,0,0,0,0|2,0,0]=3 4164 B11R0.81 CCOCC(=O)NCCCSC 1626a_100000749238_100000211967 [0,1,0,0,0,0|2,0,0]=3 4165 B11R0.81 CCOCC(=O)NCCCSC 240690a_100000749238_100000211967 [0,1,0,0,0,0|2,0,0]=3 4166 B11R0.81 CCOCC(=O)NCCCSC 527a_100000749238_100000211967 [0,1,0,0,0,0|2,0,0]=3 4167 B11R0.81 CCOCC(=O)NCCSCC 11a_100000106463_100000211967 [0,1,0,0,0,0|2,0,0]=3 4168 B11R0.81 CCOCC(=O)NCCSCC 1626a_100000106463_100000211967 [0,1,0,0,0,0|2,0,0]=3 4169 B11R0.81 CCOCC(=O)NCCSCC 240690a_100000106463_100000211967 [0,1,0,0,0,0|2,0,0]=3 4170 B11R0.81 CCOCC(=O)NCCSCC 527a_100000106463_100000211967 [0,1,0,0,0,0|2,0,0]=3 4171 B11R0.81 CCOCC(=O)NNCCOC 22a_100000741390_100000211967 [0,1,0,0,0,0|3,0,0]=4 4172 B11R0.81 CCOCC(C)OCCCCF 34a_100000718985_100000729493 [0,1,0,0,0,0|2,0,1]=4 4173 B11R0.81 CCOCC(C)OCCCCF 7a_100000718985_100000729493 [0,1,0,0,0,0|2,0,1]=4 4174 B11R0.81 CCOCC(C)OCCCCO 34a_100000718985_100011216708 [0,1,0,0,0,0|2,0,1]=4 4175 B11R0.81 CCOCC(C)OCCCCO 7a_100000718985_100000210776 [0,1,0,0,0,0|2,0,1]=4 4176 B11R0.81 CCOCC(C)OCCCOC 34a_100000718985_100000740836 [0,1,0,0,0,0|2,0,1]=4 4177 B11R0.81 CCOCC(C)OCCCOC 7a_100000718985_100000740836 [0,1,0,0,0,0|2,0,1]=4 4178 B11R0.81 CCOCC(C)OCCSCC 34a_100000718985_100000757381 [0,1,0,0,0,0|2,0,1]=4 4179 B11R0.81 CCOCC(C)OCCSCC 7a_100000718985_100000757381 [0,1,0,0,0,0|2,0,1]=4 4180 B11R0.81 CCOCCCC(=O)CCC#N 1458a_100011934036_100012232248 [0,1,0,0,0,0|2,0,1]=4 4181 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [0,1,0,0,0,0|2,0,0]=3 4182 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [0,1,0,0,0,0|2,0,0]=3 4183 B11R0.81 CCOCCCC(=O)COCC 1458a_100000211967_100012232248 [0,1,0,0,0,0|2,0,0]=3 4184 B11R0.81 CCOCCCC(=O)CSCC 1458a_100000230394_100012232248 [0,1,0,0,0,0|2,0,0]=3 4185 B11R0.81 CCOCCNC(=O)CCC#N 11a_100011200944_100011934036 [0,1,0,0,0,0|2,0,1]=4 4186 B11R0.81 CCOCCNC(=O)CCC#N 1626a_102516460346_100011934036 [0,1,0,0,0,0|2,0,1]=4 4187 B11R0.81 CCOCCNC(=O)CCC#N 240690a_100011200944_100011934036 [0,1,0,0,0,0|2,0,1]=4 4188 B11R0.81 CCOCCNC(=O)CCC#N 527a_100011200944_100011934036 [0,1,0,0,0,0|2,0,1]=4 4189 B11R0.81 CCOCCNC(=O)CCOC 11a_100011200944_100000749529 [0,1,0,0,0,0|2,0,0]=3 4190 B11R0.81 CCOCCNC(=O)CCOC 1626a_102516460346_100000749529 [0,1,0,0,0,0|2,0,0]=3 4191 B11R0.81 CCOCCNC(=O)CCOC 240690a_100011200944_100000749529 [0,1,0,0,0,0|2,0,0]=3 4192 B11R0.81 CCOCCNC(=O)CCOC 527a_100011200944_100000749529 [0,1,0,0,0,0|2,0,0]=3 4193 B11R0.81 CCOCCNC(=O)CCSC 11a_100011200944_100000174002 [0,1,0,0,0,0|2,0,0]=3 4194 B11R0.81 CCOCCNC(=O)CCSC 1626a_102516460346_100000174002 [0,1,0,0,0,0|2,0,0]=3 4195 B11R0.81 CCOCCNC(=O)CCSC 240690a_100011200944_100000174002 [0,1,0,0,0,0|2,0,0]=3 4196 B11R0.81 CCOCCNC(=O)CCSC 527a_100011200944_100000174002 [0,1,0,0,0,0|2,0,0]=3 4197 B11R0.81 CCOCCNC(=O)COCC 11a_100011200944_100000211967 [0,1,0,0,0,0|2,0,0]=3 4198 B11R0.81 CCOCCNC(=O)COCC 1626a_102516460346_100000211967 [0,1,0,0,0,0|2,0,0]=3 4199 B11R0.81 CCOCCNC(=O)COCC 240690a_100011200944_100000211967 [0,1,0,0,0,0|2,0,0]=3 4200 B11R0.81 CCOCCNC(=O)COCC 527a_100011200944_100000211967 [0,1,0,0,0,0|2,0,0]=3 4201 B11R0.81 CCOCCNC(=O)CSCC 11a_100011200944_100000230394 [0,1,0,0,0,0|2,0,0]=3 4202 B11R0.81 CCOCCNC(=O)CSCC 1626a_102516460346_100000230394 [0,1,0,0,0,0|2,0,0]=3 4203 B11R0.81 CCOCCNC(=O)CSCC 240690a_100011200944_100000230394 [0,1,0,0,0,0|2,0,0]=3 4204 B11R0.81 CCOCCNC(=O)CSCC 527a_100011200944_100000230394 [0,1,0,0,0,0|2,0,0]=3 4205 B11R0.81 CCOCCNC(=O)NCCF 2708a_100011200944_100000724931 [0,1,0,0,0,0|3,0,0]=4 4206 B11R0.81 CCOCCNC(=O)NCCF 273464a_100000724931_102516460346 [0,1,0,0,0,0|3,0,0]=4 4207 B11R0.81 CCOCCNC(=O)NCCF 273464a_102516460346_100000724931 [0,1,0,0,0,0|3,0,0]=4 4208 B11R0.81 CCOCCNC(=O)NCCF 512a_100011200944_100000724931 [0,1,0,0,0,0|3,0,0]=4 4209 B11R0.81 CCOCCNC(=O)NCCO 2708a_100011200944_100000210304 [0,1,0,0,0,0|3,0,0]=4 4210 B11R0.81 CCOCCNC(=O)NCCO 273464a_100000210304_102516460346 [0,1,0,0,0,0|3,0,0]=4 4211 B11R0.81 CCOCCNC(=O)NCCO 273464a_102516460346_100000210304 [0,1,0,0,0,0|3,0,0]=4 4212 B11R0.81 CCOCCNC(=O)NCCO 512a_100011200944_100000210304 [0,1,0,0,0,0|3,0,0]=4 4213 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [0,1,0,0,0,0|1,0,0]=2 4214 B11R0.81 CCOCCOC(=O)CSCC 62a_100000210202_200000101388 [0,1,0,0,0,0|1,0,0]=2 4215 B11R0.81 CCOCCOC(=O)CSCC 62a_200000101388_100000210202 [0,1,0,0,0,0|1,0,0]=2 4216 B11R0.81 CCOCCOC(=O)CSCF 62a_100015361967_200000101388 [0,1,0,0,0,0|2,0,0]=3 4217 B11R0.81 CCOCCOC(=O)CSCF 62a_200000101388_100015361967 [0,1,0,0,0,0|2,0,0]=3 4218 B11R0.81 CCOCCOC(C)CCCCl 34a_200000718107_100000210147 [0,1,0,0,0,0|2,0,1]=4 4219 B11R0.81 CCOCCOC(C)CCCCl 7a_200000718107_100011215890 [0,1,0,0,0,0|2,0,1]=4 4220 B11R0.81 CCOCCOC(C)COCC 34a_100000718985_100000210147 [0,1,0,0,0,0|2,0,1]=4 4221 B11R0.81 CCOCCOC(C)COCC 7a_100000718985_100011215890 [0,1,0,0,0,0|2,0,1]=4 4222 B11R0.81 CCSCC(=O)CCCCC#N 1458a_100000230394_100000211819 [0,1,0,0,0,0|2,0,1]=4 4223 B11R0.81 CCSCC(=O)CCCCCF 1458a_100000230394_100000729378 [0,1,0,0,0,0|2,0,0]=3 4224 B11R0.81 CCSCC(=O)CCCCCO 1458a_100000230394_100000746330 [0,1,0,0,0,0|2,0,0]=3 4225 B11R0.81 CCSCC(=O)CCCCOC 1458a_100000230394_100000755781 [0,1,0,0,0,0|2,0,0]=3 4226 B11R0.81 CCSCC(=O)CCOCCO 1458a_100000230394_100011215305 [0,1,0,0,0,0|3,0,0]=4 4227 B11R0.81 CCSCC(=O)NCCCCO 240690a_100000750430_100000230394 [0,1,0,0,0,0|2,0,0]=3 4228 B11R0.81 CCSCC(=O)NCCCCO 527a_100000750430_100000230394 [0,1,0,0,0,0|2,0,0]=3 4229 B11R0.81 CCSCC(=O)NCCCOC 1626a_100150723488_100000230394 [0,1,0,0,0,0|2,0,0]=3 4230 B11R0.81 CCSCC(=O)NCCCOC 240690a_100150723488_100000230394 [0,1,0,0,0,0|2,0,0]=3 4231 B11R0.81 CCSCC(=O)NCCCOC 527a_100150723488_100000230394 [0,1,0,0,0,0|2,0,0]=3 4232 B11R0.81 CCSCC(=O)NCCCOC 62a_100000183178_100000210202 [0,1,0,0,0,0|2,0,0]=3 4233 B11R0.81 CCSCC(=O)NCCCSC 11a_100000749238_100000230394 [0,1,0,0,0,0|2,0,0]=3 4234 B11R0.81 CCSCC(=O)NCCCSC 1626a_100000749238_100000230394 [0,1,0,0,0,0|2,0,0]=3 4235 B11R0.81 CCSCC(=O)NCCCSC 240690a_100000749238_100000230394 [0,1,0,0,0,0|2,0,0]=3 4236 B11R0.81 CCSCC(=O)NCCCSC 527a_100000749238_100000230394 [0,1,0,0,0,0|2,0,0]=3 4237 B11R0.81 CCSCC(=O)NNCCOC 22a_100000741390_100000230394 [0,1,0,0,0,0|3,0,0]=4 4238 B11R0.81 CCSCCNC(=O)CCC#N 11a_100000106463_100011934036 [0,1,0,0,0,0|2,0,1]=4 4239 B11R0.81 CCSCCNC(=O)CCC#N 1626a_100000106463_100011934036 [0,1,0,0,0,0|2,0,1]=4 4240 B11R0.81 CCSCCNC(=O)CCC#N 240690a_100000106463_100011934036 [0,1,0,0,0,0|2,0,1]=4 4241 B11R0.81 CCSCCNC(=O)CCC#N 527a_100000106463_100011934036 [0,1,0,0,0,0|2,0,1]=4 4242 B11R0.81 CCSCCNC(=O)CCOC 11a_100000106463_100000749529 [0,1,0,0,0,0|2,0,0]=3 4243 B11R0.81 CCSCCNC(=O)CCOC 1626a_100000106463_100000749529 [0,1,0,0,0,0|2,0,0]=3 4244 B11R0.81 CCSCCNC(=O)CCOC 240690a_100000106463_100000749529 [0,1,0,0,0,0|2,0,0]=3 4245 B11R0.81 CCSCCNC(=O)CCOC 527a_100000106463_100000749529 [0,1,0,0,0,0|2,0,0]=3 4246 B11R0.81 CCSCCNC(=O)CCSC 11a_100000106463_100000174002 [0,1,0,0,0,0|2,0,0]=3 4247 B11R0.81 CCSCCNC(=O)CCSC 1626a_100000106463_100000174002 [0,1,0,0,0,0|2,0,0]=3 4248 B11R0.81 CCSCCNC(=O)CCSC 240690a_100000106463_100000174002 [0,1,0,0,0,0|2,0,0]=3 4249 B11R0.81 CCSCCNC(=O)CCSC 527a_100000106463_100000174002 [0,1,0,0,0,0|2,0,0]=3 4250 B11R0.81 CCSCCNC(=O)CSCC 11a_100000106463_100000230394 [0,1,0,0,0,0|2,0,0]=3 4251 B11R0.81 CCSCCNC(=O)CSCC 1626a_100000106463_100000230394 [0,1,0,0,0,0|2,0,0]=3 4252 B11R0.81 CCSCCNC(=O)CSCC 240690a_100000106463_100000230394 [0,1,0,0,0,0|2,0,0]=3 4253 B11R0.81 CCSCCNC(=O)CSCC 527a_100000106463_100000230394 [0,1,0,0,0,0|2,0,0]=3 4254 B11R0.81 CCSCCNC(=O)NCCF 2708a_100000106463_100000724931 [0,1,0,0,0,0|3,0,0]=4 4255 B11R0.81 CCSCCNC(=O)NCCF 273464a_100000106463_100000724931 [0,1,0,0,0,0|3,0,0]=4 4256 B11R0.81 CCSCCNC(=O)NCCF 273464a_100000724931_100000106463 [0,1,0,0,0,0|3,0,0]=4 4257 B11R0.81 CCSCCNC(=O)NCCF 512a_100000106463_100000724931 [0,1,0,0,0,0|3,0,0]=4 4258 B11R0.81 CCSCCNC(=O)NCCO 2708a_100000106463_100000210304 [0,1,0,0,0,0|3,0,0]=4 4259 B11R0.81 CCSCCNC(=O)NCCO 273464a_100000106463_100000210304 [0,1,0,0,0,0|3,0,0]=4 4260 B11R0.81 CCSCCNC(=O)NCCO 273464a_100000210304_100000106463 [0,1,0,0,0,0|3,0,0]=4 4261 B11R0.81 CCSCCNC(=O)NCCO 512a_100000106463_100000210304 [0,1,0,0,0,0|3,0,0]=4 4262 B11R0.81 CCSCCOC(C)CCCCl 34a_200000718107_100000757381 [0,1,0,0,0,0|2,0,1]=4 4263 B11R0.81 CCSCCOC(C)CCCCl 7a_200000718107_100000757381 [0,1,0,0,0,0|2,0,1]=4 4264 B11R0.81 COCCC(=O)CCCCC#N 1458a_100000749529_100000211819 [0,1,0,0,0,0|2,0,1]=4 4265 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [0,1,0,0,0,0|2,0,0]=3 4266 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,1,0,0,0,0|2,0,0]=3 4267 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,1,0,0,0,0|2,0,0]=3 4268 B11R0.81 COCCC(=O)CCOCCO 1458a_100000749529_100011215305 [0,1,0,0,0,0|3,0,0]=4 4269 B11R0.81 COCCC(=O)CCOCCO 1458a_100011229844_100000233755 [0,1,0,0,0,0|3,0,0]=4 4270 B11R0.81 COCCC(=O)NCCCCO 240690a_100000750430_100000749529 [0,1,0,0,0,0|2,0,0]=3 4271 B11R0.81 COCCC(=O)NCCCCO 527a_100000750430_100000749529 [0,1,0,0,0,0|2,0,0]=3 4272 B11R0.81 COCCC(=O)NCCCSC 11a_100000749238_100000749529 [0,1,0,0,0,0|2,0,0]=3 4273 B11R0.81 COCCC(=O)NCCCSC 1626a_100000749238_100000749529 [0,1,0,0,0,0|2,0,0]=3 4274 B11R0.81 COCCC(=O)NCCCSC 240690a_100000749238_100000749529 [0,1,0,0,0,0|2,0,0]=3 4275 B11R0.81 COCCC(=O)NCCCSC 527a_100000749238_100000749529 [0,1,0,0,0,0|2,0,0]=3 4276 B11R0.81 COCCCCC(=O)CCC#N 1458a_100011934036_100000755781 [0,1,0,0,0,0|2,0,1]=4 4277 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [0,1,0,0,0,0|2,0,0]=3 4278 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [0,1,0,0,0,0|2,0,0]=3 4279 B11R0.81 COCCCNC(=O)CCC#N 1626a_100150723488_100011934036 [0,1,0,0,0,0|2,0,1]=4 4280 B11R0.81 COCCCNC(=O)CCC#N 240690a_100150723488_100011934036 [0,1,0,0,0,0|2,0,1]=4 4281 B11R0.81 COCCCNC(=O)CCC#N 527a_100150723488_100011934036 [0,1,0,0,0,0|2,0,1]=4 4282 B11R0.81 COCCCNC(=O)CCOC 1626a_100150723488_100000749529 [0,1,0,0,0,0|2,0,0]=3 4283 B11R0.81 COCCCNC(=O)CCOC 240690a_100150723488_100000749529 [0,1,0,0,0,0|2,0,0]=3 4284 B11R0.81 COCCCNC(=O)CCOC 527a_100150723488_100000749529 [0,1,0,0,0,0|2,0,0]=3 4285 B11R0.81 COCCCNC(=O)CCSC 1626a_100150723488_100000174002 [0,1,0,0,0,0|2,0,0]=3 4286 B11R0.81 COCCCNC(=O)CCSC 240690a_100150723488_100000174002 [0,1,0,0,0,0|2,0,0]=3 4287 B11R0.81 COCCCNC(=O)CCSC 527a_100150723488_100000174002 [0,1,0,0,0,0|2,0,0]=3 4288 B11R0.81 COCCCNC(=O)CSCF 62a_100000183178_100015361967 [0,1,0,0,0,0|3,0,0]=4 4289 B11R0.81 COCCCNC(=O)NCCF 2708a_100150723488_100000724931 [0,1,0,0,0,0|3,0,0]=4 4290 B11R0.81 COCCCNC(=O)NCCF 273464a_100000724931_100150723488 [0,1,0,0,0,0|3,0,0]=4 4291 B11R0.81 COCCCNC(=O)NCCF 273464a_100150723488_100000724931 [0,1,0,0,0,0|3,0,0]=4 4292 B11R0.81 COCCCNC(=O)NCCO 2708a_100150723488_100000210304 [0,1,0,0,0,0|3,0,0]=4 4293 B11R0.81 COCCCNC(=O)NCCO 273464a_100000210304_100150723488 [0,1,0,0,0,0|3,0,0]=4 4294 B11R0.81 COCCCNC(=O)NCCO 273464a_100150723488_100000210304 [0,1,0,0,0,0|3,0,0]=4 4295 B11R0.81 COCCCOC(C)CCCCl 34a_200000718107_100000740836 [0,1,0,0,0,0|2,0,1]=4 4296 B11R0.81 COCCCOC(C)CCCCl 7a_200000718107_100000740836 [0,1,0,0,0,0|2,0,1]=4 4297 B11R0.81 COCCNNC(=O)CCOC 22a_100000741390_100000749529 [0,1,0,0,0,0|3,0,0]=4 4298 B11R0.81 COCCNNC(=O)CCSC 22a_100000741390_100000174002 [0,1,0,0,0,0|3,0,0]=4 4299 B11R0.81 COCCOCC(=O)CCCF 1458a_100000211095_100011934791 [0,1,0,0,0,0|3,0,0]=4 4300 B11R0.81 COCCOCC(=O)CCCO 1458a_100000211095_100011215043 [0,1,0,0,0,0|3,0,0]=4 4301 B11R0.81 COCCOCC(=O)CCOC 1458a_100000211095_100000233755 [0,1,0,0,0,0|3,0,0]=4 4302 B11R0.81 COCCOCC(=O)CCSC 1458a_100000211095_100000751147 [0,1,0,0,0,0|3,0,0]=4 4303 B11R0.81 CSCCC(=O)CCCCC#N 1458a_100000174002_100000211819 [0,1,0,0,0,0|2,0,1]=4 4304 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [0,1,0,0,0,0|2,0,0]=3 4305 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [0,1,0,0,0,0|2,0,0]=3 4306 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [0,1,0,0,0,0|2,0,0]=3 4307 B11R0.81 CSCCC(=O)CCOCCO 1458a_100000174002_100011215305 [0,1,0,0,0,0|3,0,0]=4 4308 B11R0.81 CSCCC(=O)CCOCCO 1458a_100011229844_100000751147 [0,1,0,0,0,0|3,0,0]=4 4309 B11R0.81 CSCCC(=O)NCCCCO 240690a_100000750430_100000174002 [0,1,0,0,0,0|2,0,0]=3 4310 B11R0.81 CSCCC(=O)NCCCCO 527a_100000750430_100000174002 [0,1,0,0,0,0|2,0,0]=3 4311 B11R0.81 CSCCCNC(=O)CCC#N 11a_100000749238_100011934036 [0,1,0,0,0,0|2,0,1]=4 4312 B11R0.81 CSCCCNC(=O)CCC#N 1626a_100000749238_100011934036 [0,1,0,0,0,0|2,0,1]=4 4313 B11R0.81 CSCCCNC(=O)CCC#N 240690a_100000749238_100011934036 [0,1,0,0,0,0|2,0,1]=4 4314 B11R0.81 CSCCCNC(=O)CCC#N 527a_100000749238_100011934036 [0,1,0,0,0,0|2,0,1]=4 4315 B11R0.81 CSCCCNC(=O)CCSC 11a_100000749238_100000174002 [0,1,0,0,0,0|2,0,0]=3 4316 B11R0.81 CSCCCNC(=O)CCSC 1626a_100000749238_100000174002 [0,1,0,0,0,0|2,0,0]=3 4317 B11R0.81 CSCCCNC(=O)CCSC 240690a_100000749238_100000174002 [0,1,0,0,0,0|2,0,0]=3 4318 B11R0.81 CSCCCNC(=O)CCSC 527a_100000749238_100000174002 [0,1,0,0,0,0|2,0,0]=3 4319 B11R0.81 CSCCCNC(=O)NCCF 2708a_100000749238_100000724931 [0,1,0,0,0,0|3,0,0]=4 4320 B11R0.81 CSCCCNC(=O)NCCF 273464a_100000724931_100000749238 [0,1,0,0,0,0|3,0,0]=4 4321 B11R0.81 CSCCCNC(=O)NCCF 273464a_100000749238_100000724931 [0,1,0,0,0,0|3,0,0]=4 4322 B11R0.81 CSCCCNC(=O)NCCF 512a_100000749238_100000724931 [0,1,0,0,0,0|3,0,0]=4 4323 B11R0.81 CSCCCNC(=O)NCCO 2708a_100000749238_100000210304 [0,1,0,0,0,0|3,0,0]=4 4324 B11R0.81 CSCCCNC(=O)NCCO 273464a_100000210304_100000749238 [0,1,0,0,0,0|3,0,0]=4 4325 B11R0.81 CSCCCNC(=O)NCCO 273464a_100000749238_100000210304 [0,1,0,0,0,0|3,0,0]=4 4326 B11R0.81 CSCCCNC(=O)NCCO 512a_100000749238_100000210304 [0,1,0,0,0,0|3,0,0]=4 4327 B11R0.81 N#CCCC(=O)CCCCCF 1458a_100011934036_100000729378 [0,1,0,0,0,0|2,0,1]=4 4328 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100011934036_100000746330 [0,1,0,0,0,0|2,0,1]=4 4329 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100102619762_100011215226 [0,1,0,0,0,0|2,0,1]=4 4330 B11R0.81 N#CCCC(=O)NCCCCO 240690a_100000750430_100011934036 [0,1,0,0,0,0|2,0,1]=4 4331 B11R0.81 N#CCCC(=O)NCCCCO 527a_100000750430_100011934036 [0,1,0,0,0,0|2,0,1]=4 4332 B11R0.81 O=C(CCCCCO)NCCF 240690a_100000724931_100102619762 [0,1,0,0,0,0|3,0,0]=4 4333 B11R0.81 O=C(CCCCCO)NCCO 240690a_100000210304_100102619762 [0,1,0,0,0,0|3,0,0]=4 4334 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [0,1,0,0,0,0|2,0,0]=3 4335 B11R0.81 O=C(CCCF)CCOCCO 1458a_100011229844_100011934791 [0,1,0,0,0,0|3,0,0]=4 4336 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [0,1,0,0,0,0|2,0,0]=3 4337 B11R0.81 O=C(CCCO)CCOCCO 1458a_100011229844_100011215043 [0,1,0,0,0,0|3,0,0]=4 4338 B11R0.81 O=C(NCCF)NCCCCO 2708a_100000750430_100000724931 [0,1,0,0,0,0|3,0,0]=4 4339 B11R0.81 O=C(NCCF)NCCCCO 273464a_100000724931_100000750430 [0,1,0,0,0,0|3,0,0]=4 4340 B11R0.81 O=C(NCCF)NCCCCO 273464a_100000750430_100000724931 [0,1,0,0,0,0|3,0,0]=4 4341 B11R0.81 O=C(NCCF)NCCCCO 512a_100000750430_100000724931 [0,1,0,0,0,0|3,0,0]=4 4342 B11R0.81 O=C(NCCO)NCCCCO 2708a_100000750430_100000210304 [0,1,0,0,0,0|3,0,0]=4 4343 B11R0.81 O=C(NCCO)NCCCCO 273464a_100000210304_100000750430 [0,1,0,0,0,0|3,0,0]=4 4344 B11R0.81 O=C(NCCO)NCCCCO 273464a_100000750430_100000210304 [0,1,0,0,0,0|3,0,0]=4 4345 B11R0.81 O=C(NCCO)NCCCCO 512a_100000750430_100000210304 [0,1,0,0,0,0|3,0,0]=4 4346 B11R0.142 C#CC(C)C(=O)CCCCCC 1458a_100102632555_200000035995 [0,1,0,0,0,0|1,0,2]=4 4347 B11R0.142 C#CCCCCC(=O)C(C)CC 1458a_100000696528_100000758301 [0,1,0,0,0,0|1,0,2]=4 4348 B11R0.142 C#CCCCCC(=O)C(C)CC 1458a_100011192722_100010269958 [0,1,0,0,0,0|1,0,2]=4 4349 B11R0.142 C#CCCCCC(=O)C(O)CC 1458a_100011196387_100010269958 [0,1,0,0,0,0|1,0,2]=4 4350 B11R0.142 C#CCCCNC(=O)C(C)CC 11a_100000718082_100011192722 [0,1,0,0,0,0|1,0,2]=4 4351 B11R0.142 C#CCCCNC(=O)C(C)CC 1626a_100000718082_100011192722 [0,1,0,0,0,0|1,0,2]=4 4352 B11R0.142 C#CCCCNC(=O)C(C)CC 240690a_100000718082_100011192722 [0,1,0,0,0,0|1,0,2]=4 4353 B11R0.142 C#CCCCNC(=O)C(C)CC 527a_100000718082_100011192722 [0,1,0,0,0,0|1,0,2]=4 4354 B11R0.142 C#CCCCNC(=O)C(O)CC 240690a_100000718082_100011196387 [0,1,0,0,0,0|1,0,2]=4 4355 B11R0.142 C/C=C(\C)/C(=O)CCCCCC 1458a_100020587367_100000210757 [0,1,0,0,0,0|1,0,2]=4 4356 B11R0.142 C/C=C(\C)/C(=O)NCCCCC 11a_100000209983_100020587367 [0,1,0,0,0,0|1,0,2]=4 4357 B11R0.142 C/C=C(\C)/C(=O)NCCCCC 1626a_100000209983_100020587367 [0,1,0,0,0,0|1,0,2]=4 4358 B11R0.142 C=CC(C)C(=O)CCCCCC 1458a_100011216780_100000210757 [0,1,0,0,0,0|1,0,2]=4 4359 B11R0.142 C=CC(C)C(=O)NCCCCC 11a_100000209983_100011216780 [0,1,0,0,0,0|1,0,2]=4 4360 B11R0.142 C=CC(C)C(=O)NCCCCC 1626a_100000209983_100011216780 [0,1,0,0,0,0|1,0,2]=4 4361 B11R0.142 C=CC(C)C(=O)NCCCCC 240690a_100000209983_100011216780 [0,1,0,0,0,0|1,0,2]=4 4362 B11R0.142 C=CC(C)C(=O)NCCCCC 527a_100000209983_100011216780 [0,1,0,0,0,0|1,0,2]=4 4363 B11R0.142 C=CCCCCC(=O)C(C)CC 1458a_100011192722_100011215482 [0,1,0,0,0,0|1,0,2]=4 4364 B11R0.142 C=CCCCCC(=O)C(C)CC 1458a_100011215552_100000758301 [0,1,0,0,0,0|1,0,2]=4 4365 B11R0.142 C=CCCCCC(=O)C(O)CC 1458a_100011196387_100011215482 [0,1,0,0,0,0|1,0,2]=4 4366 B11R0.142 C=CCCCNC(=O)C(C)CC 11a_100000700776_100011192722 [0,1,0,0,0,0|1,0,2]=4 4367 B11R0.142 C=CCCCNC(=O)C(C)CC 1626a_100000700776_100011192722 [0,1,0,0,0,0|1,0,2]=4 4368 B11R0.142 C=CCCCNC(=O)C(C)CC 240690a_100000700776_100011192722 [0,1,0,0,0,0|1,0,2]=4 4369 B11R0.142 C=CCCCNC(=O)C(C)CC 527a_100000700776_100011192722 [0,1,0,0,0,0|1,0,2]=4 4370 B11R0.142 C=CCCCNC(=O)C(O)CC 240690a_100000700776_100011196387 [0,1,0,0,0,0|1,0,2]=4 4371 B11R0.142 CC/C=C\CCC(=O)C(C)CC 1458a_100011192722_100015370543 [0,1,0,0,0,0|1,0,2]=4 4372 B11R0.142 CC/C=C\CCC(=O)C(O)CC 1458a_100011196387_100015370543 [0,1,0,0,0,0|1,0,2]=4 4373 B11R0.142 CCC(C)C(=O)CCCCC#N 1458a_100011192722_100000211819 [0,1,0,0,0,0|2,0,1]=4 4374 B11R0.142 CCC(C)C(=O)CCCCCF 1458a_100011192722_100000729378 [0,1,0,0,0,0|2,0,0]=3 4375 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100011192722_100000746330 [0,1,0,0,0,0|2,0,0]=3 4376 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100102619762_100000758301 [0,1,0,0,0,0|2,0,0]=3 4377 B11R0.142 CCC(C)C(=O)CCCCOC 1458a_100011192722_100000755781 [0,1,0,0,0,0|2,0,0]=3 4378 B11R0.142 CCC(C)C(=O)CCOCCO 1458a_100011192722_100011215305 [0,1,0,0,0,0|3,0,0]=4 4379 B11R0.142 CCC(C)C(=O)CCOCCO 1458a_100011229844_100000758301 [0,1,0,0,0,0|3,0,0]=4 4380 B11R0.142 CCC(C)C(=O)COCCOC 1458a_100000211095_100000758301 [0,1,0,0,0,0|3,0,0]=4 4381 B11R0.142 CCC(C)C(=O)NCCCCO 240690a_100000750430_100011192722 [0,1,0,0,0,0|2,0,0]=3 4382 B11R0.142 CCC(C)C(=O)NCCCCO 527a_100000750430_100011192722 [0,1,0,0,0,0|2,0,0]=3 4383 B11R0.142 CCC(C)C(=O)NCCCOC 1626a_100150723488_100011192722 [0,1,0,0,0,0|2,0,0]=3 4384 B11R0.142 CCC(C)C(=O)NCCCOC 240690a_100150723488_100011192722 [0,1,0,0,0,0|2,0,0]=3 4385 B11R0.142 CCC(C)C(=O)NCCCOC 527a_100150723488_100011192722 [0,1,0,0,0,0|2,0,0]=3 4386 B11R0.142 CCC(C)C(=O)NCCCSC 11a_100000749238_100011192722 [0,1,0,0,0,0|2,0,0]=3 4387 B11R0.142 CCC(C)C(=O)NCCCSC 1626a_100000749238_100011192722 [0,1,0,0,0,0|2,0,0]=3 4388 B11R0.142 CCC(C)C(=O)NCCCSC 240690a_100000749238_100011192722 [0,1,0,0,0,0|2,0,0]=3 4389 B11R0.142 CCC(C)C(=O)NCCCSC 527a_100000749238_100011192722 [0,1,0,0,0,0|2,0,0]=3 4390 B11R0.142 CCC(C)C(=O)NNCCOC 22a_100000741390_100011192722 [0,1,0,0,0,0|3,0,0]=4 4391 B11R0.142 CCC(C)C(C)OCCCCF 7a_100011215189_100000729493 [0,1,0,0,0,0|2,0,1]=4 4392 B11R0.142 CCC(C)C(C)OCCCCO 7a_100011215189_100000210776 [0,1,0,0,0,0|2,0,1]=4 4393 B11R0.142 CCC(C)C(C)OCCCOC 7a_100011215189_100000740836 [0,1,0,0,0,0|2,0,1]=4 4394 B11R0.142 CCC(O)C(=O)CCCCC#N 1458a_100011196387_100000211819 [0,1,0,0,0,0|2,0,1]=4 4395 B11R0.142 CCC(O)C(=O)CCCCCF 1458a_100011196387_100000729378 [0,1,0,0,0,0|2,0,0]=3 4396 B11R0.142 CCC(O)C(=O)CCCCCO 1458a_100011196387_100000746330 [0,1,0,0,0,0|2,0,0]=3 4397 B11R0.142 CCC(O)C(=O)CCCCOC 1458a_100011196387_100000755781 [0,1,0,0,0,0|2,0,0]=3 4398 B11R0.142 CCC(O)C(=O)CCOCCO 1458a_100011196387_100011215305 [0,1,0,0,0,0|3,0,0]=4 4399 B11R0.142 CCC(O)C(=O)NCCCCO 240690a_100000750430_100011196387 [0,1,0,0,0,0|2,0,0]=3 4400 B11R0.142 CCC(O)C(=O)NCCCOC 240690a_100150723488_100011196387 [0,1,0,0,0,0|2,0,0]=3 4401 B11R0.142 CCC(O)C(=O)NCCCSC 240690a_100000749238_100011196387 [0,1,0,0,0,0|2,0,0]=3 4402 B11R0.142 CCC(O)C(=O)NNCCOC 22a_100000741390_100011196387 [0,1,0,0,0,0|3,0,0]=4 4403 B11R0.142 CCC/C=C/CC(=O)C(C)CC 1458a_200016266809_100000758301 [0,1,0,0,0,0|1,0,2]=4 4404 B11R0.142 CCCC=NNC(=O)C(C)CC 4a_100000740736_100000185831 [0,1,0,0,0,0|2,0,1]=4 4405 B11R0.142 CCCCC=CC(=O)C(C)CC 1458a_100016266645_100000758301 [0,1,0,0,0,0|1,0,1]=3 4406 B11R0.142 CCCCC=CC(=O)N(C)CC 11a_100000225621_100016266645 [0,1,0,0,0,0|2,0,1]=4 4407 B11R0.142 CCCCC=CC(=O)N(C)CC 1626a_100000225621_100016266645 [0,1,0,0,0,0|2,0,1]=4 4408 B11R0.142 CCCCC=CC(=O)N(C)CC 240690a_100000225621_100016266645 [0,1,0,0,0,0|2,0,1]=4 4409 B11R0.142 CCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210757 [0,1,0,0,0,0|2,0,1]=4 4410 B11R0.142 CCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210757 [0,1,0,0,0,0|2,0,1]=4 4411 B11R0.142 CCCCCCC(=O)C(C)C#N 1458a_100102632555_100000703298 [0,1,0,0,0,0|2,0,1]=4 4412 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,1,0,0,0,0|1,0,0]=2 4413 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,1,0,0,0,0|1,0,0]=2 4414 B11R0.142 CCCCCCC(=O)C(C)OC 1458a_100000743197_100000210757 [0,1,0,0,0,0|2,0,0]=3 4415 B11R0.142 CCCCCCC(=O)C(C)SC 1458a_100000149566_100000210757 [0,1,0,0,0,0|2,0,0]=3 4416 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,1,0,0,0,0|1,0,0]=2 4417 B11R0.142 CCCCCCC(=O)C(O)CO 1458a_100011215603_100000210757 [0,1,0,0,0,0|2,0,0]=3 4418 B11R0.142 CCCCCCC(=O)N(C)CC 11a_100000225621_100102632555 [0,1,0,0,0,0|2,0,0]=3 4419 B11R0.142 CCCCCCC(=O)N(C)CC 1626a_100000225621_100102632555 [0,1,0,0,0,0|2,0,0]=3 4420 B11R0.142 CCCCCCC(=O)N(C)CC 240690a_100000225621_100102632555 [0,1,0,0,0,0|2,0,0]=3 4421 B11R0.142 CCCCCCC(=O)N(C)CC 527a_100000225621_100102632555 [0,1,0,0,0,0|2,0,0]=3 4422 B11R0.142 CCCCCCN(C)C(C)CC 2230a_100000741768_100000210314 [0,1,0,0,0,0|3,0,0]=4 4423 B11R0.142 CCCCCCN(C)C(C)CC 2230a_106256046315_100000758301 [0,1,0,0,0,0|3,0,0]=4 4424 B11R0.142 CCCCCCN(C)C(C)CC 269982a_100000741768_100000210757 [0,1,0,0,0,0|3,0,0]=4 4425 B11R0.142 CCCCCCN(C)C(C)CC 269982a_106256046315_100000758301 [0,1,0,0,0,0|3,0,0]=4 4426 B11R0.142 CCCCCNC(=O)C(=O)NC 1626a_100000209983_100011218921 [0,1,0,0,0,0|2,0,1]=4 4427 B11R0.142 CCCCCNC(=O)C(=O)NC 240690a_100000209983_100011218921 [0,1,0,0,0,0|2,0,1]=4 4428 B11R0.142 CCCCCNC(=O)C(=O)NC 527a_100000209983_100011218921 [0,1,0,0,0,0|2,0,1]=4 4429 B11R0.142 CCCCCNC(=O)C(=O)OC 11a_100000209983_100000024059 [0,1,0,0,0,0|2,0,1]=4 4430 B11R0.142 CCCCCNC(=O)C(=O)OC 1626a_100000209983_100000024059 [0,1,0,0,0,0|2,0,1]=4 4431 B11R0.142 CCCCCNC(=O)C(=O)OC 240690a_100000209983_100000024059 [0,1,0,0,0,0|2,0,1]=4 4432 B11R0.142 CCCCCNC(=O)C(=O)OC 527a_100000209983_100000024059 [0,1,0,0,0,0|2,0,1]=4 4433 B11R0.142 CCCCCNC(=O)C(C)C#N 11a_100000209983_100000753662 [0,1,0,0,0,0|2,0,1]=4 4434 B11R0.142 CCCCCNC(=O)C(C)C#N 1626a_100000209983_100000753662 [0,1,0,0,0,0|2,0,1]=4 4435 B11R0.142 CCCCCNC(=O)C(C)C#N 240690a_100000209983_100000753662 [0,1,0,0,0,0|2,0,1]=4 4436 B11R0.142 CCCCCNC(=O)C(C)C#N 527a_100000209983_100000753662 [0,1,0,0,0,0|2,0,1]=4 4437 B11R0.142 CCCCCNC(=O)C(C)CC 11a_100000209983_100011192722 [0,1,0,0,0,0|1,0,0]=2 4438 B11R0.142 CCCCCNC(=O)C(C)CC 1626a_100000209983_100011192722 [0,1,0,0,0,0|1,0,0]=2 4439 B11R0.142 CCCCCNC(=O)C(C)CC 240690a_100000209983_100011192722 [0,1,0,0,0,0|1,0,0]=2 4440 B11R0.142 CCCCCNC(=O)C(C)CC 527a_100000209983_100011192722 [0,1,0,0,0,0|1,0,0]=2 4441 B11R0.142 CCCCCNC(=O)C(C)NC 2230a_106832991635_100000735910 [0,1,0,0,0,0|2,0,0]=3 4442 B11R0.142 CCCCCNC(=O)C(C)NC 7a_106832991635_100000735910 [0,1,0,0,0,0|2,0,0]=3 4443 B11R0.142 CCCCCNC(=O)C(C)OC 11a_100000209983_100000743197 [0,1,0,0,0,0|2,0,0]=3 4444 B11R0.142 CCCCCNC(=O)C(C)OC 1626a_100000209983_100000743197 [0,1,0,0,0,0|2,0,0]=3 4445 B11R0.142 CCCCCNC(=O)C(C)OC 240690a_100000209983_100000743197 [0,1,0,0,0,0|2,0,0]=3 4446 B11R0.142 CCCCCNC(=O)C(C)OC 527a_100000209983_100000743197 [0,1,0,0,0,0|2,0,0]=3 4447 B11R0.142 CCCCCNC(=O)C(C)SC 11a_100000209983_100000149566 [0,1,0,0,0,0|2,0,0]=3 4448 B11R0.142 CCCCCNC(=O)C(C)SC 1626a_100000209983_100000149566 [0,1,0,0,0,0|2,0,0]=3 4449 B11R0.142 CCCCCNC(=O)C(C)SC 240690a_100000209983_100000149566 [0,1,0,0,0,0|2,0,0]=3 4450 B11R0.142 CCCCCNC(=O)C(C)SC 527a_100000209983_100000149566 [0,1,0,0,0,0|2,0,0]=3 4451 B11R0.142 CCCCCNC(=O)C(C)SC 62a_100000735910_200000210301 [0,1,0,0,0,0|2,0,0]=3 4452 B11R0.142 CCCCCNC(=O)C(C)SC 62a_200000210301_100000735910 [0,1,0,0,0,0|2,0,0]=3 4453 B11R0.142 CCCCCNC(=O)C(C)S[13CH3] 62a_100000735910_200025704644 [0,1,0,0,0,0|2,0,0]=3 4454 B11R0.142 CCCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735910 [0,1,0,0,0,0|2,0,0]=3 4455 B11R0.142 CCCCCNC(=O)C(O)CC 240690a_100000209983_100011196387 [0,1,0,0,0,0|1,0,0]=2 4456 B11R0.142 CCCCCNC(=O)C(O)CO 240690a_100000209983_100011215603 [0,1,0,0,0,0|2,0,0]=3 4457 B11R0.142 CCCCCNC(=O)N(C)CC 2708a_100000209983_100000225621 [0,1,0,0,0,0|2,0,0]=3 4458 B11R0.142 CCCCCNC(=O)N(C)CC 273464a_100000209983_100000225621 [0,1,0,0,0,0|2,0,0]=3 4459 B11R0.142 CCCCCNC(C)C(C)CC 269862a_100000209983_100000210599 [0,1,0,0,0,0|2,0,1]=4 4460 B11R0.142 CCCCCNC(C)C(C)CC 270004a_100000209983_100000210599 [0,1,0,0,0,0|2,0,1]=4 4461 B11R0.142 CCCCCOC(C)C(=O)CC 7a_100000210253_100000742827 [0,1,0,0,0,0|1,0,2]=4 4462 B11R0.142 CCCCCOC(C)C(C)CC 7a_100011215189_100000210326 [0,1,0,0,0,0|1,0,1]=3 4463 B11R0.142 CCCCNCC(=O)N(C)CC 2230a_100000102301_100000738999 [0,1,0,0,0,0|3,0,0]=4 4464 B11R0.142 CCCCNCC(=O)N(C)CC 7a_106832991798_100000738999 [0,1,0,0,0,0|3,0,0]=4 4465 B11R0.142 CCCCNN=C(C)C(C)CC 4a_100025702795_100000210599 [0,1,0,0,0,0|3,0,0]=4 4466 B11R0.142 CCCCNNC(=O)C(C)CC 22a_100025702795_100011192722 [0,1,0,0,0,0|2,0,0]=3 4467 B11R0.142 CCCCNNC(=O)C(C)OC 22a_100025702795_100000743197 [0,1,0,0,0,0|3,0,0]=4 4468 B11R0.142 CCCCNNC(=O)C(C)SC 22a_100025702795_100000149566 [0,1,0,0,0,0|3,0,0]=4 4469 B11R0.142 CCCCNNC(=O)C(O)CC 22a_100025702795_100011196387 [0,1,0,0,0,0|2,0,0]=3 4470 B11R0.142 CCCCNNC(=O)C(O)CO 22a_100025702795_100011215603 [0,1,0,0,0,0|3,0,0]=4 4471 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100000757543_100000758301 [0,1,0,0,0,0|2,0,0]=3 4472 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100011192722_100011995733 [0,1,0,0,0,0|2,0,0]=3 4473 B11R0.142 CCCCOCC(=O)C(C)OC 1458a_100000743197_100011995733 [0,1,0,0,0,0|3,0,0]=4 4474 B11R0.142 CCCCOCC(=O)C(C)SC 1458a_100000149566_100011995733 [0,1,0,0,0,0|3,0,0]=4 4475 B11R0.142 CCCCOCC(=O)C(O)CC 1458a_100011196387_100011995733 [0,1,0,0,0,0|2,0,0]=3 4476 B11R0.142 CCCCOCC(=O)C(O)CO 1458a_100011215603_100011995733 [0,1,0,0,0,0|3,0,0]=4 4477 B11R0.142 CCCCOCC(=O)N(C)CC 11a_100000225621_100000757543 [0,1,0,0,0,0|3,0,0]=4 4478 B11R0.142 CCCCOCC(=O)N(C)CC 1626a_100000225621_100000757543 [0,1,0,0,0,0|3,0,0]=4 4479 B11R0.142 CCCCOCC(=O)N(C)CC 240690a_100000225621_100000757543 [0,1,0,0,0,0|3,0,0]=4 4480 B11R0.142 CCCCOCC(=O)N(C)CC 34a_100000210227_100000738999 [0,1,0,0,0,0|3,0,0]=4 4481 B11R0.142 CCCCOCC(=O)N(C)CC 527a_100000225621_100000757543 [0,1,0,0,0,0|3,0,0]=4 4482 B11R0.142 CCCCOCC(=O)N(C)CC 7a_100000210227_100000738999 [0,1,0,0,0,0|3,0,0]=4 4483 B11R0.142 CCCCSCC(=O)C(C)CC 1458a_100000191162_100000758301 [0,1,0,0,0,0|2,0,0]=3 4484 B11R0.142 CCCCSCC(=O)N(C)CC 11a_100000225621_100000191162 [0,1,0,0,0,0|3,0,0]=4 4485 B11R0.142 CCCCSCC(=O)N(C)CC 1626a_100000225621_100000191162 [0,1,0,0,0,0|3,0,0]=4 4486 B11R0.142 CCCCSCC(=O)N(C)CC 240690a_100000225621_100000191162 [0,1,0,0,0,0|3,0,0]=4 4487 B11R0.142 CCCCSCC(=O)N(C)CC 527a_100000225621_100000191162 [0,1,0,0,0,0|3,0,0]=4 4488 B11R0.142 CCCCSCC(=O)N(C)CC 62a_100000210211_100000738999 [0,1,0,0,0,0|3,0,0]=4 4489 B11R0.142 CCCCSCC(=O)N(C)CC 62a_100000738999_100000210210 [0,1,0,0,0,0|3,0,0]=4 4490 B11R0.142 CCCOCCC(=O)C(C)CC 1458a_100011192722_100011215938 [0,1,0,0,0,0|2,0,0]=3 4491 B11R0.142 CCCOCCC(=O)C(C)OC 1458a_100000743197_100011215938 [0,1,0,0,0,0|3,0,0]=4 4492 B11R0.142 CCCOCCC(=O)C(C)SC 1458a_100000149566_100011215938 [0,1,0,0,0,0|3,0,0]=4 4493 B11R0.142 CCCOCCC(=O)C(O)CC 1458a_100011196387_100011215938 [0,1,0,0,0,0|2,0,0]=3 4494 B11R0.142 CCCOCCC(=O)C(O)CO 1458a_100011215603_100011215938 [0,1,0,0,0,0|3,0,0]=4 4495 B11R0.142 CCN(C)C(=O)CCCCCO 240690a_100000225621_100102619762 [0,1,0,0,0,0|3,0,0]=4 4496 B11R0.142 CCN(C)C(=O)NCCCCO 2708a_100000750430_100000225621 [0,1,0,0,0,0|3,0,0]=4 4497 B11R0.142 CCN(C)C(=O)NCCCCO 273464a_100000750430_100000225621 [0,1,0,0,0,0|3,0,0]=4 4498 B11R0.142 CCN(C)C(=O)NCCCOC 2708a_100150723488_100000225621 [0,1,0,0,0,0|3,0,0]=4 4499 B11R0.142 CCN(C)C(=O)NCCCOC 273464a_100150723488_100000225621 [0,1,0,0,0,0|3,0,0]=4 4500 B11R0.142 CCN(C)C(=O)NCCCSC 2708a_100000749238_100000225621 [0,1,0,0,0,0|3,0,0]=4 4501 B11R0.142 CCN(C)C(=O)NCCCSC 273464a_100000749238_100000225621 [0,1,0,0,0,0|3,0,0]=4 4502 B11R0.142 CCOCCCC(=O)C(C)CC 1458a_100011192722_100012232248 [0,1,0,0,0,0|2,0,0]=3 4503 B11R0.142 CCOCCCC(=O)C(C)OC 1458a_100000743197_100012232248 [0,1,0,0,0,0|3,0,0]=4 4504 B11R0.142 CCOCCCC(=O)C(C)SC 1458a_100000149566_100012232248 [0,1,0,0,0,0|3,0,0]=4 4505 B11R0.142 CCOCCCC(=O)C(O)CC 1458a_100011196387_100012232248 [0,1,0,0,0,0|2,0,0]=3 4506 B11R0.142 CCOCCCC(=O)C(O)CO 1458a_100011215603_100012232248 [0,1,0,0,0,0|3,0,0]=4 4507 B11R0.142 CCOCCNC(=O)C(C)CC 11a_100011200944_100011192722 [0,1,0,0,0,0|2,0,0]=3 4508 B11R0.142 CCOCCNC(=O)C(C)CC 1626a_102516460346_100011192722 [0,1,0,0,0,0|2,0,0]=3 4509 B11R0.142 CCOCCNC(=O)C(C)CC 240690a_100011200944_100011192722 [0,1,0,0,0,0|2,0,0]=3 4510 B11R0.142 CCOCCNC(=O)C(C)CC 527a_100011200944_100011192722 [0,1,0,0,0,0|2,0,0]=3 4511 B11R0.142 CCOCCNC(=O)C(C)OC 11a_100011200944_100000743197 [0,1,0,0,0,0|3,0,0]=4 4512 B11R0.142 CCOCCNC(=O)C(C)OC 1626a_102516460346_100000743197 [0,1,0,0,0,0|3,0,0]=4 4513 B11R0.142 CCOCCNC(=O)C(C)OC 240690a_100011200944_100000743197 [0,1,0,0,0,0|3,0,0]=4 4514 B11R0.142 CCOCCNC(=O)C(C)OC 527a_100011200944_100000743197 [0,1,0,0,0,0|3,0,0]=4 4515 B11R0.142 CCOCCNC(=O)C(C)SC 11a_100011200944_100000149566 [0,1,0,0,0,0|3,0,0]=4 4516 B11R0.142 CCOCCNC(=O)C(C)SC 1626a_102516460346_100000149566 [0,1,0,0,0,0|3,0,0]=4 4517 B11R0.142 CCOCCNC(=O)C(C)SC 240690a_100011200944_100000149566 [0,1,0,0,0,0|3,0,0]=4 4518 B11R0.142 CCOCCNC(=O)C(C)SC 527a_100011200944_100000149566 [0,1,0,0,0,0|3,0,0]=4 4519 B11R0.142 CCOCCNC(=O)C(O)CC 240690a_100011200944_100011196387 [0,1,0,0,0,0|2,0,0]=3 4520 B11R0.142 CCOCCNC(=O)C(O)CO 240690a_100011200944_100011215603 [0,1,0,0,0,0|3,0,0]=4 4521 B11R0.142 CCOCCNC(=O)N(C)CC 2708a_100011200944_100000225621 [0,1,0,0,0,0|3,0,0]=4 4522 B11R0.142 CCOCCNC(=O)N(C)CC 273464a_102516460346_100000225621 [0,1,0,0,0,0|3,0,0]=4 4523 B11R0.142 CCOCCOC(C)C(C)CC 7a_100011215189_100011215890 [0,1,0,0,0,0|2,0,1]=4 4524 B11R0.142 CCSCCNC(=O)C(C)CC 11a_100000106463_100011192722 [0,1,0,0,0,0|2,0,0]=3 4525 B11R0.142 CCSCCNC(=O)C(C)CC 1626a_100000106463_100011192722 [0,1,0,0,0,0|2,0,0]=3 4526 B11R0.142 CCSCCNC(=O)C(C)CC 240690a_100000106463_100011192722 [0,1,0,0,0,0|2,0,0]=3 4527 B11R0.142 CCSCCNC(=O)C(C)CC 527a_100000106463_100011192722 [0,1,0,0,0,0|2,0,0]=3 4528 B11R0.142 CCSCCNC(=O)C(C)OC 11a_100000106463_100000743197 [0,1,0,0,0,0|3,0,0]=4 4529 B11R0.142 CCSCCNC(=O)C(C)OC 1626a_100000106463_100000743197 [0,1,0,0,0,0|3,0,0]=4 4530 B11R0.142 CCSCCNC(=O)C(C)OC 240690a_100000106463_100000743197 [0,1,0,0,0,0|3,0,0]=4 4531 B11R0.142 CCSCCNC(=O)C(C)OC 527a_100000106463_100000743197 [0,1,0,0,0,0|3,0,0]=4 4532 B11R0.142 CCSCCNC(=O)C(C)SC 11a_100000106463_100000149566 [0,1,0,0,0,0|3,0,0]=4 4533 B11R0.142 CCSCCNC(=O)C(C)SC 1626a_100000106463_100000149566 [0,1,0,0,0,0|3,0,0]=4 4534 B11R0.142 CCSCCNC(=O)C(C)SC 240690a_100000106463_100000149566 [0,1,0,0,0,0|3,0,0]=4 4535 B11R0.142 CCSCCNC(=O)C(C)SC 527a_100000106463_100000149566 [0,1,0,0,0,0|3,0,0]=4 4536 B11R0.142 CCSCCNC(=O)C(O)CC 240690a_100000106463_100011196387 [0,1,0,0,0,0|2,0,0]=3 4537 B11R0.142 CCSCCNC(=O)C(O)CO 240690a_100000106463_100011215603 [0,1,0,0,0,0|3,0,0]=4 4538 B11R0.142 CCSCCNC(=O)N(C)CC 2708a_100000106463_100000225621 [0,1,0,0,0,0|3,0,0]=4 4539 B11R0.142 CCSCCNC(=O)N(C)CC 273464a_100000106463_100000225621 [0,1,0,0,0,0|3,0,0]=4 4540 B11R0.142 CCSCCOC(C)C(C)CC 7a_100011215189_100000757381 [0,1,0,0,0,0|2,0,1]=4 4541 B11R0.142 CNC(C)C(=O)NCCCOC 2230a_106832991635_100000735919 [0,1,0,0,0,0|3,0,0]=4 4542 B11R0.142 CNC(C)C(=O)NCCCOC 7a_106832991635_100000735919 [0,1,0,0,0,0|3,0,0]=4 4543 B11R0.142 COC(C)C(=O)CCCCCF 1458a_100000743197_100000729378 [0,1,0,0,0,0|3,0,0]=4 4544 B11R0.142 COC(C)C(=O)CCCCCO 1458a_100000743197_100000746330 [0,1,0,0,0,0|3,0,0]=4 4545 B11R0.142 COC(C)C(=O)NCCCCO 240690a_100000750430_100000743197 [0,1,0,0,0,0|3,0,0]=4 4546 B11R0.142 COC(C)C(=O)NCCCCO 527a_100000750430_100000743197 [0,1,0,0,0,0|3,0,0]=4 4547 B11R0.142 COC(C)C(=O)NCCCSC 11a_100000749238_100000743197 [0,1,0,0,0,0|3,0,0]=4 4548 B11R0.142 COC(C)C(=O)NCCCSC 1626a_100000749238_100000743197 [0,1,0,0,0,0|3,0,0]=4 4549 B11R0.142 COC(C)C(=O)NCCCSC 240690a_100000749238_100000743197 [0,1,0,0,0,0|3,0,0]=4 4550 B11R0.142 COC(C)C(=O)NCCCSC 527a_100000749238_100000743197 [0,1,0,0,0,0|3,0,0]=4 4551 B11R0.142 COCCCCC(=O)C(C)OC 1458a_100000743197_100000755781 [0,1,0,0,0,0|3,0,0]=4 4552 B11R0.142 COCCCCC(=O)C(C)SC 1458a_100000149566_100000755781 [0,1,0,0,0,0|3,0,0]=4 4553 B11R0.142 COCCCCC(=O)C(O)CO 1458a_100011215603_100000755781 [0,1,0,0,0,0|3,0,0]=4 4554 B11R0.142 COCCCNC(=O)C(C)OC 1626a_100150723488_100000743197 [0,1,0,0,0,0|3,0,0]=4 4555 B11R0.142 COCCCNC(=O)C(C)OC 240690a_100150723488_100000743197 [0,1,0,0,0,0|3,0,0]=4 4556 B11R0.142 COCCCNC(=O)C(C)OC 527a_100150723488_100000743197 [0,1,0,0,0,0|3,0,0]=4 4557 B11R0.142 COCCCNC(=O)C(C)SC 1626a_100150723488_100000149566 [0,1,0,0,0,0|3,0,0]=4 4558 B11R0.142 COCCCNC(=O)C(C)SC 240690a_100150723488_100000149566 [0,1,0,0,0,0|3,0,0]=4 4559 B11R0.142 COCCCNC(=O)C(C)SC 527a_100150723488_100000149566 [0,1,0,0,0,0|3,0,0]=4 4560 B11R0.142 COCCCNC(=O)C(C)SC 62a_100000735919_200000210301 [0,1,0,0,0,0|3,0,0]=4 4561 B11R0.142 COCCCNC(=O)C(C)SC 62a_200000210301_100000735919 [0,1,0,0,0,0|3,0,0]=4 4562 B11R0.142 COCCCNC(=O)C(C)S[13CH3] 62a_100000735919_200025704644 [0,1,0,0,0,0|3,0,0]=4 4563 B11R0.142 COCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735919 [0,1,0,0,0,0|3,0,0]=4 4564 B11R0.142 COCCCNC(=O)C(O)CO 240690a_100150723488_100011215603 [0,1,0,0,0,0|3,0,0]=4 4565 B11R0.142 CSC(C)C(=O)CCCCCF 1458a_100000149566_100000729378 [0,1,0,0,0,0|3,0,0]=4 4566 B11R0.142 CSC(C)C(=O)CCCCCO 1458a_100000149566_100000746330 [0,1,0,0,0,0|3,0,0]=4 4567 B11R0.142 CSC(C)C(=O)NCCCCO 240690a_100000750430_100000149566 [0,1,0,0,0,0|3,0,0]=4 4568 B11R0.142 CSC(C)C(=O)NCCCCO 527a_100000750430_100000149566 [0,1,0,0,0,0|3,0,0]=4 4569 B11R0.142 CSCCCNC(=O)C(C)SC 11a_100000749238_100000149566 [0,1,0,0,0,0|3,0,0]=4 4570 B11R0.142 CSCCCNC(=O)C(C)SC 1626a_100000749238_100000149566 [0,1,0,0,0,0|3,0,0]=4 4571 B11R0.142 CSCCCNC(=O)C(C)SC 240690a_100000749238_100000149566 [0,1,0,0,0,0|3,0,0]=4 4572 B11R0.142 CSCCCNC(=O)C(C)SC 527a_100000749238_100000149566 [0,1,0,0,0,0|3,0,0]=4 4573 B11R0.142 CSCCCNC(=O)C(O)CO 240690a_100000749238_100011215603 [0,1,0,0,0,0|3,0,0]=4 4574 B11R0.142 O=C(CCCCCF)C(O)CO 1458a_100011215603_100000729378 [0,1,0,0,0,0|3,0,0]=4 4575 B11R0.142 O=C(CCCCCO)C(O)CO 1458a_100011215603_100000746330 [0,1,0,0,0,0|3,0,0]=4 4576 B11R0.142 O=C(NCCCCO)C(O)CO 240690a_100000750430_100011215603 [0,1,0,0,0,0|3,0,0]=4 4577 B11R0.155 C#CCC(=O)C(C)CCCCC 1458a_100011215998_100000184674 [0,1,0,0,0,0|1,0,2]=4 4578 B11R0.155 C#CCC(=O)C(C)CCCCC 1458a_100011220946_200011218191 [0,1,0,0,0,0|1,0,2]=4 4579 B11R0.155 C#CCC(=O)N(C)CCCCC 1626a_100000223495_100011220946 [0,1,0,0,0,0|1,0,2]=4 4580 B11R0.155 C#CCC(=O)N(C)CCCCC 527a_100000223495_100011220946 [0,1,0,0,0,0|1,0,2]=4 4581 B11R0.155 C=C(COCCC)C(=O)OCC 34a_100000210258_100000755967 [0,1,0,0,0,0|3,0,0]=4 4582 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000210303_100000755967 [0,1,0,0,0,0|3,0,0]=4 4583 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000755967_100000210303 [0,1,0,0,0,0|3,0,0]=4 4584 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100000210193_200011218191 [0,1,0,0,0,0|1,0,2]=4 4585 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100011215998_100000210623 [0,1,0,0,0,0|1,0,2]=4 4586 B11R0.155 C=CCC(=O)N(C)CCCCC 11a_100000223495_100000210193 [0,1,0,0,0,0|1,0,2]=4 4587 B11R0.155 C=CCC(=O)N(C)CCCCC 1626a_100000223495_100000210193 [0,1,0,0,0,0|1,0,2]=4 4588 B11R0.155 C=CCC(=O)N(C)CCCCC 240690a_100000223495_100000210193 [0,1,0,0,0,0|1,0,2]=4 4589 B11R0.155 C=CCC(=O)N(C)CCCCC 527a_100000223495_100000210193 [0,1,0,0,0,0|1,0,2]=4 4590 B11R0.155 CC#CC(=O)C(C)CCCCC 1458a_100000763181_200011218191 [0,1,0,0,0,0|1,0,2]=4 4591 B11R0.155 CC/C=C(\C)/C(=O)CCCCC 1458a_100016988807_100000210326 [0,1,0,0,0,0|2,0,1]=4 4592 B11R0.155 CC=CC(=O)C(C)CCCCC 1458a_100000210699_200011218191 [0,1,0,0,0,0|1,0,2]=4 4593 B11R0.155 CC=CC(=O)N(C)CCCCC 11a_100000223495_100000210699 [0,1,0,0,0,0|1,0,2]=4 4594 B11R0.155 CC=CC(=O)N(C)CCCCC 1626a_100000223495_100000210699 [0,1,0,0,0,0|1,0,2]=4 4595 B11R0.155 CC=CC(=O)N(C)CCCCC 240690a_100000223495_100000210699 [0,1,0,0,0,0|1,0,2]=4 4596 B11R0.155 CCCC(=O)N(C)CCCCO 240690a_100000717598_100000211992 [0,1,0,0,0,0|2,0,0]=3 4597 B11R0.155 CCCC(=O)N(C)CCCOC 11a_100000224831_100000211992 [0,1,0,0,0,0|2,0,0]=3 4598 B11R0.155 CCCC(=O)N(C)CCCOC 1626a_100000224831_100000211992 [0,1,0,0,0,0|2,0,0]=3 4599 B11R0.155 CCCC(=O)N(C)CCCOC 240690a_100000224831_100000211992 [0,1,0,0,0,0|2,0,0]=3 4600 B11R0.155 CCCC(=O)N(C)CCCOC 527a_100000224831_100000211992 [0,1,0,0,0,0|2,0,0]=3 4601 B11R0.155 CCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210326 [0,1,0,0,0,0|2,0,0]=3 4602 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000210906_100000210326 [0,1,0,0,0,0|2,0,1]=4 4603 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000212188_100000766640 [0,1,0,0,0,0|2,0,1]=4 4604 B11R0.155 CCCCCC(=O)N(C)CCC 11a_100000747261_100000212188 [0,1,0,0,0,0|3,0,0]=4 4605 B11R0.155 CCCCCC(=O)N(C)CCC 1626a_100000747261_100000212188 [0,1,0,0,0,0|3,0,0]=4 4606 B11R0.155 CCCCCC(=O)N(C)CCC 240690a_100000747261_100000212188 [0,1,0,0,0,0|3,0,0]=4 4607 B11R0.155 CCCCCC(=O)N(C)CCC 527a_100000747261_100000212188 [0,1,0,0,0,0|3,0,0]=4 4608 B11R0.155 CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210326 [0,1,0,0,0,0|1,0,2]=4 4609 B11R0.155 CCCCCC(C)C(=O)CC#N 1458a_100011215998_100011214920 [0,1,0,0,0,0|2,0,1]=4 4610 B11R0.155 CCCCCC(C)C(=O)CC#N 1458a_100051588842_200011218191 [0,1,0,0,0,0|2,0,1]=4 4611 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [0,1,0,0,0,0|1,0,0]=2 4612 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [0,1,0,0,0,0|1,0,0]=2 4613 B11R0.155 CCCCCC(C)C(=O)CCF 1458a_100011215998_100011217306 [0,1,0,0,0,0|2,0,0]=3 4614 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [0,1,0,0,0,0|2,0,0]=3 4615 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [0,1,0,0,0,0|2,0,0]=3 4616 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [0,1,0,0,0,0|2,0,0]=3 4617 B11R0.155 CCCCCC(C)C(=O)CSC 1458a_100000184570_200011218191 [0,1,0,0,0,0|2,0,0]=3 4618 B11R0.155 CCCCCC(C)C(=O)NCC 11a_100015525214_100011215998 [0,1,0,0,0,0|2,0,0]=3 4619 B11R0.155 CCCCCC(C)C(=O)NCC 240690a_100015525214_100011215998 [0,1,0,0,0,0|2,0,0]=3 4620 B11R0.155 CCCCCC(C)C(=O)NCC 527a_100015525214_100011215998 [0,1,0,0,0,0|2,0,0]=3 4621 B11R0.155 CCCCCC(C)C(=O)NNC 22a_100016993582_100011215998 [0,1,0,0,0,0|3,0,0]=4 4622 B11R0.155 CCCCCC(C)N(C)CCC 2230a_100000747261_200011218191 [0,1,0,0,0,0|3,0,0]=4 4623 B11R0.155 CCCCCC(C)N(C)CCC 269982a_100000747261_200011218191 [0,1,0,0,0,0|3,0,0]=4 4624 B11R0.155 CCCCCC(C)N(C)CCC 270004a_100000747261_100000211708 [0,1,0,0,0,0|3,0,0]=4 4625 B11R0.155 CCCCCN(C)C(=O)CC#N 1626a_100000223495_100051588842 [0,1,0,0,0,0|2,0,1]=4 4626 B11R0.155 CCCCCN(C)C(=O)CC#N 240690a_100000223495_100051588842 [0,1,0,0,0,0|2,0,1]=4 4627 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [0,1,0,0,0,0|1,0,0]=2 4628 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [0,1,0,0,0,0|1,0,0]=2 4629 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [0,1,0,0,0,0|1,0,0]=2 4630 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [0,1,0,0,0,0|1,0,0]=2 4631 B11R0.155 CCCCCN(C)C(=O)CCO 240690a_100000223495_100011216618 [0,1,0,0,0,0|2,0,0]=3 4632 B11R0.155 CCCCCN(C)C(=O)COC 11a_100000223495_100000210968 [0,1,0,0,0,0|2,0,0]=3 4633 B11R0.155 CCCCCN(C)C(=O)COC 1626a_100000223495_100000210968 [0,1,0,0,0,0|2,0,0]=3 4634 B11R0.155 CCCCCN(C)C(=O)COC 240690a_100000223495_100000210968 [0,1,0,0,0,0|2,0,0]=3 4635 B11R0.155 CCCCCN(C)C(=O)COC 527a_100000223495_100000210968 [0,1,0,0,0,0|2,0,0]=3 4636 B11R0.155 CCCCCN(C)C(=O)CSC 11a_100000223495_100000184570 [0,1,0,0,0,0|2,0,0]=3 4637 B11R0.155 CCCCCN(C)C(=O)CSC 1626a_100000223495_100000184570 [0,1,0,0,0,0|2,0,0]=3 4638 B11R0.155 CCCCCN(C)C(=O)CSC 240690a_100000223495_100000184570 [0,1,0,0,0,0|2,0,0]=3 4639 B11R0.155 CCCCCN(C)C(=O)CSC 527a_100000223495_100000184570 [0,1,0,0,0,0|2,0,0]=3 4640 B11R0.155 CCCCCN(C)C(=O)NCC 2708a_100015525214_100000223495 [0,1,0,0,0,0|2,0,0]=3 4641 B11R0.155 CCCCCN(C)C(=O)NCC 273464a_100015525214_100000223495 [0,1,0,0,0,0|2,0,0]=3 4642 B11R0.155 CCCCCN(C)C(C)CCC 2230a_100000223495_100000766640 [0,1,0,0,0,0|2,0,1]=4 4643 B11R0.155 CCCCCN(C)C(C)CCC 269982a_100000223495_100000766640 [0,1,0,0,0,0|2,0,1]=4 4644 B11R0.155 CCCCCN(C)C(C)CCC 270004a_100000223495_100000211909 [0,1,0,0,0,0|2,0,1]=4 4645 B11R0.155 CCCCNC(=O)C(=O)NCC 1626a_100000102301_200011297158 [0,1,0,0,0,0|3,0,0]=4 4646 B11R0.155 CCCCNC(=O)C(=O)NCC 240690a_100000102301_200011297158 [0,1,0,0,0,0|3,0,0]=4 4647 B11R0.155 CCCCNC(=O)C(=O)NCC 527a_100000102301_200011297158 [0,1,0,0,0,0|3,0,0]=4 4648 B11R0.155 CCCCNC(=O)C(=O)OCC 11a_100000102301_100014798877 [0,1,0,0,0,0|3,0,0]=4 4649 B11R0.155 CCCCNC(=O)C(=O)OCC 1626a_100000102301_100014798877 [0,1,0,0,0,0|3,0,0]=4 4650 B11R0.155 CCCCNC(=O)C(=O)OCC 240690a_100000102301_100014798877 [0,1,0,0,0,0|3,0,0]=4 4651 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000102301_100000230173 [0,1,0,0,0,0|3,0,0]=4 4652 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000736553_100000210211 [0,1,0,0,0,0|3,0,0]=4 4653 B11R0.155 CCCCNC(C)C(=O)NCC 34a_100000736553_100000210210 [0,1,0,0,0,0|3,0,0]=4 4654 B11R0.155 CCCCNC(C)C(=O)NCC 7a_106832991798_100000230173 [0,1,0,0,0,0|3,0,0]=4 4655 B11R0.155 CCCCNC(C)C(=O)OCC 2230a_100000102301_100011215307 [0,1,0,0,0,0|3,0,0]=4 4656 B11R0.155 CCCCNC(C)C(=O)OCC 7a_106832991798_100011216346 [0,1,0,0,0,0|3,0,0]=4 4657 B11R0.155 CCCCNC(F)C(=O)OCC 2230a_100000102301_100000760018 [0,1,0,0,0,0|3,0,0]=4 4658 B11R0.155 CCCCNC(F)C(=O)OCC 7a_106832991798_100000040065 [0,1,0,0,0,0|3,0,0]=4 4659 B11R0.155 CCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210211 [0,1,0,0,0,0|3,0,0]=4 4660 B11R0.155 CCCCOC(C)C(=O)NCC 34a_100000210227_100000230173 [0,1,0,0,0,0|3,0,0]=4 4661 B11R0.155 CCCCOC(C)C(=O)NCC 7a_100000210227_100000230173 [0,1,0,0,0,0|3,0,0]=4 4662 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [0,1,0,0,0,0|3,0,0]=4 4663 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [0,1,0,0,0,0|3,0,0]=4 4664 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [0,1,0,0,0,0|3,0,0]=4 4665 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [0,1,0,0,0,0|3,0,0]=4 4666 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [0,1,0,0,0,0|3,0,0]=4 4667 B11R0.155 CCCCSC(C)C(=O)CCC 1458a_100000191163_100000210303 [0,1,0,0,0,0|2,0,0]=3 4668 B11R0.155 CCCCSC(C)C(=O)CCF 1458a_100000191163_100011217306 [0,1,0,0,0,0|3,0,0]=4 4669 B11R0.155 CCCCSC(C)C(=O)CCO 1458a_100000191163_100000211926 [0,1,0,0,0,0|3,0,0]=4 4670 B11R0.155 CCCCSC(C)C(=O)NCC 11a_100015525214_100000191163 [0,1,0,0,0,0|3,0,0]=4 4671 B11R0.155 CCCCSC(C)C(=O)NCC 240690a_100015525214_100000191163 [0,1,0,0,0,0|3,0,0]=4 4672 B11R0.155 CCCCSC(C)C(=O)NCC 527a_100015525214_100000191163 [0,1,0,0,0,0|3,0,0]=4 4673 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000210211_100000230173 [0,1,0,0,0,0|3,0,0]=4 4674 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000230173_100000210210 [0,1,0,0,0,0|3,0,0]=4 4675 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100000210211_100011216346 [0,1,0,0,0,0|3,0,0]=4 4676 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100011216346_100000210210 [0,1,0,0,0,0|3,0,0]=4 4677 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000210211_100000760018 [0,1,0,0,0,0|3,0,0]=4 4678 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000760018_100000210210 [0,1,0,0,0,0|3,0,0]=4 4679 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000210303_100000211299 [0,1,0,0,0,0|3,0,0]=4 4680 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000211299_100000210303 [0,1,0,0,0,0|3,0,0]=4 4681 B11R0.155 CCNC(=O)C(=O)CCCCF 1458a_200011297158_100000729493 [0,1,0,0,0,0|3,0,0]=4 4682 B11R0.155 CCNC(=O)C(=O)CCCCO 1458a_200011297158_100000210776 [0,1,0,0,0,0|3,0,0]=4 4683 B11R0.155 CCNC(=O)C(=O)CCCOC 1458a_200011297158_100000740836 [0,1,0,0,0,0|3,0,0]=4 4684 B11R0.155 CCNC(=O)C(=O)CCOCC 1458a_200011297158_100011215890 [0,1,0,0,0,0|3,0,0]=4 4685 B11R0.155 CCNC(=O)C(=O)CCSCC 1458a_200011297158_100000757381 [0,1,0,0,0,0|3,0,0]=4 4686 B11R0.155 CCNC(=O)N(C)CCCCO 2708a_100015525214_100000717598 [0,1,0,0,0,0|3,0,0]=4 4687 B11R0.155 CCNC(=O)N(C)CCCCO 273464a_100015525214_100000717598 [0,1,0,0,0,0|3,0,0]=4 4688 B11R0.155 CCNC(=O)N(C)CCCOC 2708a_100015525214_100000224831 [0,1,0,0,0,0|3,0,0]=4 4689 B11R0.155 CCNC(=O)N(C)CCCOC 273464a_100015525214_100000224831 [0,1,0,0,0,0|3,0,0]=4 4690 B11R0.155 CN(CCCCO)C(=O)CCO 240690a_100000717598_100011216618 [0,1,0,0,0,0|3,0,0]=4 4691 B11R0.155 COCC(=O)N(C)CCCCO 240690a_100000717598_100000210968 [0,1,0,0,0,0|3,0,0]=4 4692 B11R0.155 COCCCN(C)C(=O)CCO 240690a_100000224831_100011216618 [0,1,0,0,0,0|3,0,0]=4 4693 B11R0.155 COCCCN(C)C(=O)COC 11a_100000224831_100000210968 [0,1,0,0,0,0|3,0,0]=4 4694 B11R0.155 COCCCN(C)C(=O)COC 1626a_100000224831_100000210968 [0,1,0,0,0,0|3,0,0]=4 4695 B11R0.155 COCCCN(C)C(=O)COC 240690a_100000224831_100000210968 [0,1,0,0,0,0|3,0,0]=4 4696 B11R0.155 COCCCN(C)C(=O)COC 527a_100000224831_100000210968 [0,1,0,0,0,0|3,0,0]=4 4697 B11R0.155 COCCCN(C)C(=O)CSC 11a_100000224831_100000184570 [0,1,0,0,0,0|3,0,0]=4 4698 B11R0.155 COCCCN(C)C(=O)CSC 1626a_100000224831_100000184570 [0,1,0,0,0,0|3,0,0]=4 4699 B11R0.155 COCCCN(C)C(=O)CSC 240690a_100000224831_100000184570 [0,1,0,0,0,0|3,0,0]=4 4700 B11R0.155 COCCCN(C)C(=O)CSC 527a_100000224831_100000184570 [0,1,0,0,0,0|3,0,0]=4 4701 B11R0.155 CSCC(=O)N(C)CCCCO 240690a_100000717598_100000184570 [0,1,0,0,0,0|3,0,0]=4 4702 B11R0.161 C#CC(CCC)OCCCCC 34a_200011217317_100000718602 [0,1,0,0,0,0|1,0,1]=3 4703 B11R0.161 C#CC(CCC)OCCCCC 7a_200011217317_100000210326 [0,1,0,0,0,0|1,0,1]=3 4704 B11R0.161 C#CC(CCC)OCCCCF 34a_200011217317_100000729493 [0,1,0,0,0,0|2,0,1]=4 4705 B11R0.161 C#CC(CCC)OCCCCF 7a_200011217317_100000729493 [0,1,0,0,0,0|2,0,1]=4 4706 B11R0.161 C#CC(CCC)OCCCCO 34a_200011217317_100011216708 [0,1,0,0,0,0|2,0,1]=4 4707 B11R0.161 C#CC(CCC)OCCCCO 7a_200011217317_100000210776 [0,1,0,0,0,0|2,0,1]=4 4708 B11R0.161 C#CC(CCC)OCCCOC 34a_200011217317_100000740836 [0,1,0,0,0,0|2,0,1]=4 4709 B11R0.161 C#CC(CCC)OCCCOC 7a_200011217317_100000740836 [0,1,0,0,0,0|2,0,1]=4 4710 B11R0.161 C#CC(CCC)OCCOCC 34a_200011217317_100000210147 [0,1,0,0,0,0|2,0,1]=4 4711 B11R0.161 C#CC(CCC)OCCOCC 7a_200011217317_100011215890 [0,1,0,0,0,0|2,0,1]=4 4712 B11R0.161 C#CC(CCC)OCCSCC 34a_200011217317_100000757381 [0,1,0,0,0,0|2,0,1]=4 4713 B11R0.161 C#CC(CCC)OCCSCC 7a_200011217317_100000757381 [0,1,0,0,0,0|2,0,1]=4 4714 B11R0.161 C=CC(=NNCCCC)CCC 4a_100025702795_200011215120 [0,1,0,0,0,0|3,0,0]=4 4715 B11R0.161 C=CC(CCC)OCCCCC 34a_100011216692_100000718602 [0,1,0,0,0,0|1,0,1]=3 4716 B11R0.161 C=CC(CCC)OCCCCC 7a_100011216692_100000210326 [0,1,0,0,0,0|1,0,1]=3 4717 B11R0.161 C=CC(CCC)OCCCCF 34a_100011216692_100000729493 [0,1,0,0,0,0|2,0,1]=4 4718 B11R0.161 C=CC(CCC)OCCCCF 7a_100011216692_100000729493 [0,1,0,0,0,0|2,0,1]=4 4719 B11R0.161 C=CC(CCC)OCCCCO 34a_100011216692_100011216708 [0,1,0,0,0,0|2,0,1]=4 4720 B11R0.161 C=CC(CCC)OCCCCO 7a_100011216692_100000210776 [0,1,0,0,0,0|2,0,1]=4 4721 B11R0.161 C=CC(CCC)OCCCOC 34a_100011216692_100000740836 [0,1,0,0,0,0|2,0,1]=4 4722 B11R0.161 C=CC(CCC)OCCCOC 7a_100011216692_100000740836 [0,1,0,0,0,0|2,0,1]=4 4723 B11R0.161 C=CC(CCC)OCCOCC 34a_100011216692_100000210147 [0,1,0,0,0,0|2,0,1]=4 4724 B11R0.161 C=CC(CCC)OCCOCC 7a_100011216692_100011215890 [0,1,0,0,0,0|2,0,1]=4 4725 B11R0.161 C=CC(CCC)OCCSCC 34a_100011216692_100000757381 [0,1,0,0,0,0|2,0,1]=4 4726 B11R0.161 C=CC(CCC)OCCSCC 7a_100011216692_100000757381 [0,1,0,0,0,0|2,0,1]=4 4727 B11R0.161 CCCC(C#N)OCCCCF 34a_100000686963_100000729493 [0,1,0,0,0,0|2,0,1]=4 4728 B11R0.161 CCCC(C#N)OCCCCF 7a_100000686963_100000729493 [0,1,0,0,0,0|2,0,1]=4 4729 B11R0.161 CCCC(C#N)OCCCCO 34a_100000686963_100011216708 [0,1,0,0,0,0|2,0,1]=4 4730 B11R0.161 CCCC(C#N)OCCCCO 7a_100000686963_100000210776 [0,1,0,0,0,0|2,0,1]=4 4731 B11R0.161 CCCC(C#N)OCCCOC 34a_100000686963_100000740836 [0,1,0,0,0,0|2,0,1]=4 4732 B11R0.161 CCCC(C#N)OCCCOC 7a_100000686963_100000740836 [0,1,0,0,0,0|2,0,1]=4 4733 B11R0.161 CCCC(C#N)OCCOCC 34a_100000686963_100000210147 [0,1,0,0,0,0|2,0,1]=4 4734 B11R0.161 CCCC(C#N)OCCOCC 7a_100000686963_100011215890 [0,1,0,0,0,0|2,0,1]=4 4735 B11R0.161 CCCC(C#N)OCCSCC 34a_100000686963_100000757381 [0,1,0,0,0,0|2,0,1]=4 4736 B11R0.161 CCCC(C#N)OCCSCC 7a_100000686963_100000757381 [0,1,0,0,0,0|2,0,1]=4 4737 B11R0.161 CCCC(CC)OCCCCCl 7a_100000210776_100011219200 [0,1,0,0,0,0|2,0,1]=4 4738 B11R0.161 CCCC(CC)OCCCCF 34a_100000687864_100000729493 [0,1,0,0,0,0|2,0,1]=4 4739 B11R0.161 CCCC(CC)OCCCCF 7a_100000687864_100000729493 [0,1,0,0,0,0|2,0,1]=4 4740 B11R0.161 CCCC(CC)OCCCCF 7a_100011995726_100011219200 [0,1,0,0,0,0|2,0,1]=4 4741 B11R0.161 CCCC(CC)OCCCCO 34a_100000687864_100011216708 [0,1,0,0,0,0|2,0,1]=4 4742 B11R0.161 CCCC(CC)OCCCCO 7a_100000687864_100000210776 [0,1,0,0,0,0|2,0,1]=4 4743 B11R0.161 CCCC(CC)OCCCOC 34a_100000687864_100000740836 [0,1,0,0,0,0|2,0,1]=4 4744 B11R0.161 CCCC(CC)OCCCOC 7a_100000687864_100000740836 [0,1,0,0,0,0|2,0,1]=4 4745 B11R0.161 CCCC(CC)OCCCSC 7a_100000690336_100011219200 [0,1,0,0,0,0|2,0,1]=4 4746 B11R0.161 CCCC(CC)OCCOCC 34a_100000687864_100000210147 [0,1,0,0,0,0|2,0,1]=4 4747 B11R0.161 CCCC(CC)OCCOCC 7a_100000210136_100011219200 [0,1,0,0,0,0|2,0,1]=4 4748 B11R0.161 CCCC(CC)OCCOCC 7a_100000687864_100011215890 [0,1,0,0,0,0|2,0,1]=4 4749 B11R0.161 CCCC(CC)OCCSCC 34a_100000687864_100000757381 [0,1,0,0,0,0|2,0,1]=4 4750 B11R0.161 CCCC(CC)OCCSCC 7a_100000212035_100011219200 [0,1,0,0,0,0|2,0,1]=4 4751 B11R0.161 CCCC(CC)OCCSCC 7a_100000687864_100000757381 [0,1,0,0,0,0|2,0,1]=4 4752 B11R0.161 CCCCCCC(CCC)NC 270004a_106832991635_200011215359 [0,1,0,0,0,0|2,0,1]=4 4753 B11R0.161 CCCCCCC(CCC)OC 34a_200011215193_200000210301 [0,1,0,0,0,0|1,0,2]=4 4754 B11R0.161 CCCCCCC(CCC)OC 7a_200011215193_200000210301 [0,1,0,0,0,0|1,0,2]=4 4755 B11R0.161 CCCCCCC(CCC)O[13CH3] 34a_200011215193_200025704644 [0,1,0,0,0,0|1,0,2]=4 4756 B11R0.161 CCCCCCC(CCC)O[13CH3] 7a_200011215193_200025704644 [0,1,0,0,0,0|1,0,2]=4 4757 B11R0.161 CCCCCCN(CC)CCC 2230a_100000226822_100000210314 [0,1,0,0,0,0|3,0,0]=4 4758 B11R0.161 CCCCCCN(CC)CCC 269982a_100000226822_100000210757 [0,1,0,0,0,0|3,0,0]=4 4759 B11R0.161 CCCCCNC(CC)CCC 2230a_100000747048_100000210326 [0,1,0,0,0,0|2,0,1]=4 4760 B11R0.161 CCCCCNC(CC)CCC 270004a_100000209983_100000687865 [0,1,0,0,0,0|2,0,1]=4 4761 B11R0.161 CCCCCN[C@H](CO)CCC 2230a_100000732646_100000210326 [0,1,0,0,0,0|1,0,2]=4 4762 B11R0.161 CCCCCN[C@H](CO)CCC 34a_100000732646_100000718602 [0,1,0,0,0,0|1,0,2]=4 4763 B11R0.161 CCCCCOC(C#N)CCC 34a_100000686963_100000718602 [0,1,0,0,0,0|1,0,1]=3 4764 B11R0.161 CCCCCOC(C#N)CCC 7a_100000686963_100000210326 [0,1,0,0,0,0|1,0,1]=3 4765 B11R0.161 CCCCCOC(CC)CCC 34a_100000687864_100000718602 [0,1,0,0,0,0|1,0,1]=3 4766 B11R0.161 CCCCCOC(CC)CCC 7a_100000210253_100011219200 [0,1,0,0,0,0|1,0,1]=3 4767 B11R0.161 CCCCCOC(CC)CCC 7a_100000687864_100000210326 [0,1,0,0,0,0|1,0,1]=3 4768 B11R0.161 CCCCCOC(CC)COC 7a_200011214946_100000210326 [0,1,0,0,0,0|2,0,1]=4 4769 B11R0.161 CCCCCOC(CCl)COC 34a_100011215053_100000718602 [0,1,0,0,0,0|2,0,1]=4 4770 B11R0.161 CCCCCOC(CN)COC 34a_100000756049_100000718602 [0,1,0,0,0,0|2,0,1]=4 4771 B11R0.161 CCCCCSC(CC)CCC 62a_100000210326_100011219200 [0,1,0,0,0,0|1,1,1]=4 4772 B11R0.161 CCCCCSC(CC)CCC 62a_100011219200_100000210326 [0,1,0,0,0,0|1,1,1]=4 4773 B11R0.161 CCCCNN=C(CC)CCC 4a_100025702795_100000687865 [0,1,0,0,0,0|3,0,0]=4 4774 B11R0.174 C#CC(C)NCOC(=O)CCC 2230a_100000707721_100000034017 [0,1,0,0,0,0|1,0,2]=4 4775 B11R0.174 C#CC(C)NCOC(=O)CCC 34a_100000707721_100000034017 [0,1,0,0,0,0|1,0,2]=4 4776 B11R0.174 C#CC(C)SCOC(=O)CCC 62a_200000035995_100000034017 [0,1,0,0,0,0|1,0,2]=4 4777 B11R0.174 C#CCC(=O)NCCC(C)CC 1626a_100020591266_100011220946 [0,1,0,0,0,0|1,0,2]=4 4778 B11R0.174 C#CCC(=O)NCCC(C)CC 527a_100020591266_100011220946 [0,1,0,0,0,0|1,0,2]=4 4779 B11R0.174 C#C[C@@H](C)OCOC(=O)CCC 34a_100009815206_100000034017 [0,1,0,0,0,0|1,0,2]=4 4780 B11R0.174 C=CC(C)OCOC(=O)CCC 34a_100000695699_100000034017 [0,1,0,0,0,0|1,0,2]=4 4781 B11R0.174 C=CC(C)SCOC(=O)CCC 62a_100011215867_100000034017 [0,1,0,0,0,0|1,0,2]=4 4782 B11R0.174 C=CCC(=O)NCCC(C)CC 11a_100020591266_100000210193 [0,1,0,0,0,0|1,0,2]=4 4783 B11R0.174 C=CCC(=O)NCCC(C)CC 1626a_100020591266_100000210193 [0,1,0,0,0,0|1,0,2]=4 4784 B11R0.174 C=CCC(=O)NCCC(C)CC 240690a_100020591266_100000210193 [0,1,0,0,0,0|1,0,2]=4 4785 B11R0.174 C=CCC(=O)NCCC(C)CC 527a_100020591266_100000210193 [0,1,0,0,0,0|1,0,2]=4 4786 B11R0.174 CC(CO)CCNC(=O)CCO 240690a_106354213184_100011216618 [0,1,0,0,0,0|3,0,0]=4 4787 B11R0.174 CC=CC(=O)NCCC(C)CC 11a_100020591266_100000210699 [0,1,0,0,0,0|1,0,2]=4 4788 B11R0.174 CC=CC(=O)NCCC(C)CC 1626a_100020591266_100000210699 [0,1,0,0,0,0|1,0,2]=4 4789 B11R0.174 CC=CC(=O)NCCC(C)CC 240690a_100020591266_100000210699 [0,1,0,0,0,0|1,0,2]=4 4790 B11R0.174 CCC(C)CCNC(=O)CC#N 1626a_100020591266_100051588842 [0,1,0,0,0,0|2,0,1]=4 4791 B11R0.174 CCC(C)CCNC(=O)CC#N 240690a_100020591266_100051588842 [0,1,0,0,0,0|2,0,1]=4 4792 B11R0.174 CCC(C)CCNC(=O)CCO 240690a_100020591266_100011216618 [0,1,0,0,0,0|2,0,0]=3 4793 B11R0.174 CCC(C)CCNC(=O)COC 11a_100020591266_100000210968 [0,1,0,0,0,0|2,0,0]=3 4794 B11R0.174 CCC(C)CCNC(=O)COC 1626a_100020591266_100000210968 [0,1,0,0,0,0|2,0,0]=3 4795 B11R0.174 CCC(C)CCNC(=O)COC 240690a_100020591266_100000210968 [0,1,0,0,0,0|2,0,0]=3 4796 B11R0.174 CCC(C)CCNC(=O)COC 527a_100020591266_100000210968 [0,1,0,0,0,0|2,0,0]=3 4797 B11R0.174 CCC(C)CCNC(=O)CSC 11a_100020591266_100000184570 [0,1,0,0,0,0|2,0,0]=3 4798 B11R0.174 CCC(C)CCNC(=O)CSC 1626a_100020591266_100000184570 [0,1,0,0,0,0|2,0,0]=3 4799 B11R0.174 CCC(C)CCNC(=O)CSC 240690a_100020591266_100000184570 [0,1,0,0,0,0|2,0,0]=3 4800 B11R0.174 CCC(C)CCNC(=O)CSC 527a_100020591266_100000184570 [0,1,0,0,0,0|2,0,0]=3 4801 B11R0.174 CCC(C)CCNC(=O)NNC 273464a_100020591266_100016993582 [0,1,0,0,0,0|3,0,0]=4 4802 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100016993582_100020591266 [0,1,0,0,0,0|3,0,0]=4 4803 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100020591266_100016993582 [0,1,0,0,0,0|3,0,0]=4 4804 B11R0.174 CCC(C)CCOC(C)CCO 7a_100011215188_100009893172 [0,1,0,0,0,0|2,0,1]=4 4805 B11R0.174 CCC(C)CCOC(C)COC 7a_100011215188_100000765312 [0,1,0,0,0,0|2,0,1]=4 4806 B11R0.174 CCC(O)CNNC(=O)CCO 22a_100015206393_100011216618 [0,1,0,0,0,0|3,0,0]=4 4807 B11R0.174 CCC(O)CNNC(=O)COC 22a_100015206393_100000210968 [0,1,0,0,0,0|3,0,0]=4 4808 B11R0.174 CCC(O)CNNC(=O)CSC 22a_100015206393_100000184570 [0,1,0,0,0,0|3,0,0]=4 4809 B11R0.174 CCCC(=NNCC(O)CC)C 4a_100015206393_100000211909 [0,1,0,0,0,0|3,0,0]=4 4810 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,1,0,0,0,0|2,0,1]=4 4811 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,1,0,0,0,0|2,0,1]=4 4812 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,1,0,0,0,0|2,0,1]=4 4813 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [0,1,0,0,0,0|2,0,0]=3 4814 B11R0.174 CCCC(=O)CNCC(C)CC 2230a_100020588543_100000747444 [0,1,0,0,0,0|2,0,0]=3 4815 B11R0.174 CCCC(=O)CNCC(O)CC 2230a_100011218483_100000747444 [0,1,0,0,0,0|2,0,0]=3 4816 B11R0.174 CCCC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747444 [0,1,0,0,0,0|3,0,0]=4 4817 B11R0.174 CCCC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747444 [0,1,0,0,0,0|3,0,0]=4 4818 B11R0.174 CCCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747444 [0,1,0,0,0,0|2,0,0]=3 4819 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747405_100000747444 [0,1,0,0,0,0|2,0,1]=4 4820 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747444_100000747405 [0,1,0,0,0,0|2,0,1]=4 4821 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000747444_100000748023 [0,1,0,0,0,0|2,0,0]=3 4822 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000748023_100000747444 [0,1,0,0,0,0|2,0,0]=3 4823 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100000747444_100011218378 [0,1,0,0,0,0|2,0,0]=3 4824 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100011218378_100000747444 [0,1,0,0,0,0|2,0,0]=3 4825 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100000747444_100011219619 [0,1,0,0,0,0|3,0,0]=4 4826 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100011219619_100000747444 [0,1,0,0,0,0|3,0,0]=4 4827 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100000747444_100009816398 [0,1,0,0,0,0|2,0,0]=3 4828 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747444 [0,1,0,0,0,0|2,0,0]=3 4829 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747444 [0,1,0,0,0,0|3,0,0]=4 4830 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000747444_100000059175 [0,1,0,0,0,0|3,0,0]=4 4831 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100000747444_100015614560 [0,1,0,0,0,0|3,0,0]=4 4832 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747444 [0,1,0,0,0,0|3,0,0]=4 4833 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100000747444_100009815848 [0,1,0,0,0,0|3,0,0]=4 4834 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747444 [0,1,0,0,0,0|3,0,0]=4 4835 B11R0.174 CCCC(=O)NCCC(=O)NC 11a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 4836 B11R0.174 CCCC(=O)NCCC(=O)NC 240690a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 4837 B11R0.174 CCCC(=O)NCCC(=O)NC 527a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 4838 B11R0.174 CCCC(=O)NCCC(=O)OC 188690a_100000683876_100000211992 [0,1,0,0,0,0|2,0,1]=4 4839 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [0,1,0,0,0,0|1,0,0]=2 4840 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [0,1,0,0,0,0|1,0,0]=2 4841 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [0,1,0,0,0,0|1,0,0]=2 4842 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [0,1,0,0,0,0|1,0,0]=2 4843 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [0,1,0,0,0,0|2,0,0]=3 4844 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [0,1,0,0,0,0|2,0,0]=3 4845 B11R0.174 CCCC(=O)NN=CC(C)CC 4a_100000189770_100000243153 [0,1,0,0,0,0|2,0,1]=4 4846 B11R0.174 CCCC(=O)NNCC(O)CC 22a_100015206393_100000211992 [0,1,0,0,0,0|2,0,0]=3 4847 B11R0.174 CCCC(=O)OCNC(C)C#N 2230a_100000737613_100000034017 [0,1,0,0,0,0|2,0,1]=4 4848 B11R0.174 CCCC(=O)OCNC(C)CC 2230a_100000209981_100000034017 [0,1,0,0,0,0|1,0,0]=2 4849 B11R0.174 CCCC(=O)OCN[C@H](C)CO 2230a_100000737577_100000034017 [0,1,0,0,0,0|2,0,0]=3 4850 B11R0.174 CCCC(=O)OCOC(C)C#N 34a_100011218135_100000034017 [0,1,0,0,0,0|2,0,1]=4 4851 B11R0.174 CCCC(=O)OCOC(C)CF 34a_100016041109_100000034017 [0,1,0,0,0,0|2,0,0]=3 4852 B11R0.174 CCCC(=O)OCOC(C)CN 34a_100000210904_100000034017 [0,1,0,0,0,0|2,0,0]=3 4853 B11R0.174 CCCC(=O)OCSC(C)C#N 62a_100000703298_100000034017 [0,1,0,0,0,0|2,0,1]=4 4854 B11R0.174 CCCC(=O)OCSC(C)CC 62a_100000758301_100000034017 [0,1,0,0,0,0|1,0,0]=2 4855 B11R0.174 CCCC(=O)OCSC(C)CO 62a_100012180447_100000034017 [0,1,0,0,0,0|2,0,0]=3 4856 B11R0.174 CCCC(=O)OCSC(C)OC 62a_100009879195_100000034017 [0,1,0,0,0,0|2,0,0]=3 4857 B11R0.174 CCCC(=O)OCSC(F)C#N 62a_200000117898_100000034017 [0,1,0,0,0,0|2,0,1]=4 4858 B11R0.174 CCCC(=O)OCS[C@H](C)CO 62a_100016084084_100000034017 [0,1,0,0,0,0|2,0,0]=3 4859 B11R0.174 CCCC(C)NCCC(C)CC 2230a_100020591266_100000766640 [0,1,0,0,0,0|2,0,1]=4 4860 B11R0.174 CCCC(C)NCCC(C)CC 270004a_100020591266_100000211909 [0,1,0,0,0,0|2,0,1]=4 4861 B11R0.174 CCCC(C)OCCC(C)CC 7a_100011215188_100000766640 [0,1,0,0,0,0|1,0,1]=3 4862 B11R0.174 CCCC(C)OCCC(C)OC 7a_100000764861_100000766640 [0,1,0,0,0,0|2,0,1]=4 4863 B11R0.174 CCN(C)CCCC(=O)CCO 1458a_100011216618_100015186262 [0,1,0,0,0,0|3,0,0]=4 4864 B11R0.174 CCN(C)CCCC(=O)COC 1458a_100000210968_100015186262 [0,1,0,0,0,0|3,0,0]=4 4865 B11R0.174 CCN(C)CCCC(=O)CSC 1458a_100000184570_100015186262 [0,1,0,0,0,0|3,0,0]=4 4866 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [0,1,0,0,0,0|2,0,1]=4 4867 B11R0.174 CCNC(=O)CCNC(C)CC 2230a_100000209981_100000737597 [0,1,0,0,0,0|3,0,0]=4 4868 B11R0.174 CCNC(=O)CCNC(C)CC 34a_100025743525_100011215416 [0,1,0,0,0,0|3,0,0]=4 4869 B11R0.174 CCNC(=O)CCOC(C)CC 7a_100000210228_100000737597 [0,1,0,0,0,0|3,0,0]=4 4870 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000737597_100000758301 [0,1,0,0,0,0|3,0,0]=4 4871 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000758301_100000737597 [0,1,0,0,0,0|3,0,0]=4 4872 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100016988866_100000748023 [0,1,0,0,0,0|3,0,0]=4 4873 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100020588543_100000183381 [0,1,0,0,0,0|3,0,0]=4 4874 B11R0.174 CCNC(=O)CNCC(C)CC 270004a_100016988866_100000243153 [0,1,0,0,0,0|3,0,0]=4 4875 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100011218483_100000183381 [0,1,0,0,0,0|3,0,0]=4 4876 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100016988866_100011218378 [0,1,0,0,0,0|3,0,0]=4 4877 B11R0.174 CCNC(=O)CNC[C@@H](C)CC 2230a_100016988866_100009816398 [0,1,0,0,0,0|3,0,0]=4 4878 B11R0.174 CCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183381 [0,1,0,0,0,0|3,0,0]=4 4879 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000183381_100000748023 [0,1,0,0,0,0|3,0,0]=4 4880 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000748023_100000183381 [0,1,0,0,0,0|3,0,0]=4 4881 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100000183381_100011218378 [0,1,0,0,0,0|3,0,0]=4 4882 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100011218378_100000183381 [0,1,0,0,0,0|3,0,0]=4 4883 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100000183381_100009816398 [0,1,0,0,0,0|3,0,0]=4 4884 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183381 [0,1,0,0,0,0|3,0,0]=4 4885 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100015525214_100020591266 [0,1,0,0,0,0|2,0,0]=3 4886 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100020591266_100015525214 [0,1,0,0,0,0|2,0,0]=3 4887 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100015525214_100020591266 [0,1,0,0,0,0|2,0,0]=3 4888 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100020591266_100015525214 [0,1,0,0,0,0|2,0,0]=3 4889 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100015525214_100020591266 [0,1,0,0,0,0|2,0,0]=3 4890 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100020591266_100015525214 [0,1,0,0,0,0|2,0,0]=3 4891 B11R0.174 CCNC(=O)NCCC(C)CO 2708a_100015525214_106354213184 [0,1,0,0,0,0|3,0,0]=4 4892 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_100015525214_106354213184 [0,1,0,0,0,0|3,0,0]=4 4893 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_106354213184_100015525214 [0,1,0,0,0,0|3,0,0]=4 4894 B11R0.174 CCNC(=O)NCCC(C)CO 512a_100015525214_106354213184 [0,1,0,0,0,0|3,0,0]=4 4895 B11R0.174 CCNC(=O)NCCC(C)CO 512a_106354213184_100015525214 [0,1,0,0,0,0|3,0,0]=4 4896 B11R0.174 CCNC(=O)NNCC(O)CC 273464a_100015525214_100015206393 [0,1,0,0,0,0|3,0,0]=4 4897 B11R0.174 CCNC(=O)NNCC(O)CC 512a_100015206393_100015525214 [0,1,0,0,0,0|3,0,0]=4 4898 B11R0.174 CCNC(=O)NNCC(O)CC 512a_100015525214_100015206393 [0,1,0,0,0,0|3,0,0]=4 4899 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,1,0,0,0,0|2,0,1]=4 4900 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,1,0,0,0,0|2,0,1]=4 4901 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [0,1,0,0,0,0|3,0,0]=4 4902 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [0,1,0,0,0,0|3,0,0]=4 4903 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [0,1,0,0,0,0|3,0,0]=4 4904 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [0,1,0,0,0,0|3,0,0]=4 4905 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [0,1,0,0,0,0|3,0,0]=4 4906 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [0,1,0,0,0,0|3,0,0]=4 4907 B11R0.174 CCOC(=O)CNCC(C)CC 2230a_100020588543_100000188475 [0,1,0,0,0,0|3,0,0]=4 4908 B11R0.174 CCOC(=O)CNCC(O)CC 2230a_100011218483_100000188475 [0,1,0,0,0,0|3,0,0]=4 4909 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [0,1,0,0,0,0|3,0,0]=4 4910 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000188475_100000748023 [0,1,0,0,0,0|3,0,0]=4 4911 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000748023_100000188475 [0,1,0,0,0,0|3,0,0]=4 4912 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100000188475_100011218378 [0,1,0,0,0,0|3,0,0]=4 4913 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100011218378_100000188475 [0,1,0,0,0,0|3,0,0]=4 4914 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100000188475_100009816398 [0,1,0,0,0,0|3,0,0]=4 4915 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000188475 [0,1,0,0,0,0|3,0,0]=4 4916 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [0,1,0,0,0,0|2,0,1]=4 4917 B11R0.174 CCOC(=O)NCCN(C)CC 269982a_100000225621_200011445536 [0,1,0,0,0,0|3,0,0]=4 4918 B11R0.174 CCOC(=O)OCSC(C)CC 62a_100000758301_100000075025 [0,1,0,0,0,0|2,0,0]=3 4919 B11R0.174 CCOC(=O)OCSC(C)CO 62a_100012180447_100000075025 [0,1,0,0,0,0|3,0,0]=4 4920 B11R0.174 CCOC(=O)OCSC(C)OC 62a_100009879195_100000075025 [0,1,0,0,0,0|3,0,0]=4 4921 B11R0.174 CCOC(=O)OCS[C@H](C)CO 62a_100016084084_100000075025 [0,1,0,0,0,0|3,0,0]=4 4922 B11R0.174 COCC(=O)NCCC(C)CO 240690a_106354213184_100000210968 [0,1,0,0,0,0|3,0,0]=4 4923 B11R0.174 COCC(=O)NCCC(C)CO 527a_106354213184_100000210968 [0,1,0,0,0,0|3,0,0]=4 4924 B11R0.174 CSCC(=O)NCCC(C)CO 240690a_106354213184_100000184570 [0,1,0,0,0,0|3,0,0]=4 4925 B11R0.174 CSCC(=O)NCCC(C)CO 527a_106354213184_100000184570 [0,1,0,0,0,0|3,0,0]=4 4926 B11R0.176 C#CCC(=O)CCCCC(C)C 1458a_100011220946_100011216152 [0,1,0,0,0,0|1,0,2]=4 4927 B11R0.176 C#CCC(=O)CCCCC(C)C 1458a_100011933920_100000184674 [0,1,0,0,0,0|1,0,2]=4 4928 B11R0.176 C#CCC(=O)NCCCC(C)C 1626a_200000737386_100011220946 [0,1,0,0,0,0|1,0,2]=4 4929 B11R0.176 C#CCC(=O)NCCCC(C)C 527a_200000737386_100011220946 [0,1,0,0,0,0|1,0,2]=4 4930 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000730704_100000747444 [0,1,0,0,0,0|2,0,1]=4 4931 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000747444_100000730704 [0,1,0,0,0,0|2,0,1]=4 4932 B11R0.176 C=C(C)COCOC(=O)CCC 34a_100000210245_100000034017 [0,1,0,0,0,0|1,0,1]=3 4933 B11R0.176 C=C(C)CSCOC(=O)CCC 62a_100000748629_100000034017 [0,1,0,0,0,0|1,0,1]=3 4934 B11R0.176 C=C(C)CSCOC(=O)OCC 62a_100000748629_100000075025 [0,1,0,0,0,0|2,0,1]=4 4935 B11R0.176 C=C(F)COCOC(=O)CCC 34a_200010262243_100000034017 [0,1,0,0,0,0|1,0,2]=4 4936 B11R0.176 C=C(F)CSCOC(=O)CCC 62a_100000042424_100000034017 [0,1,0,0,0,0|1,0,2]=4 4937 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100000210193_100011216152 [0,1,0,0,0,0|1,0,2]=4 4938 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100011933920_100000210623 [0,1,0,0,0,0|1,0,2]=4 4939 B11R0.176 C=CCC(=O)NCCCC(C)C 11a_200000737386_100000210193 [0,1,0,0,0,0|1,0,2]=4 4940 B11R0.176 C=CCC(=O)NCCCC(C)C 1626a_200000737386_100000210193 [0,1,0,0,0,0|1,0,2]=4 4941 B11R0.176 C=CCC(=O)NCCCC(C)C 240690a_200000737386_100000210193 [0,1,0,0,0,0|1,0,2]=4 4942 B11R0.176 C=CCC(=O)NCCCC(C)C 527a_200000737386_100000210193 [0,1,0,0,0,0|1,0,2]=4 4943 B11R0.176 CC#CC(=O)CCCCC(C)C 1458a_100000763181_100011216152 [0,1,0,0,0,0|1,0,2]=4 4944 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,1,0,0,0,0|2,0,1]=4 4945 B11R0.176 CC(C)CCCCC(=O)CC#N 1458a_100011933920_100011214920 [0,1,0,0,0,0|2,0,1]=4 4946 B11R0.176 CC(C)CCCCC(=O)CC#N 1458a_100051588842_100011216152 [0,1,0,0,0,0|2,0,1]=4 4947 B11R0.176 CC(C)CCCCC(=O)CCF 1458a_100011933920_100011217306 [0,1,0,0,0,0|2,0,0]=3 4948 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [0,1,0,0,0,0|2,0,0]=3 4949 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [0,1,0,0,0,0|2,0,0]=3 4950 B11R0.176 CC(C)CCCNC(=O)CC#N 1626a_200000737386_100051588842 [0,1,0,0,0,0|2,0,1]=4 4951 B11R0.176 CC(C)CCCNC(=O)CC#N 240690a_200000737386_100051588842 [0,1,0,0,0,0|2,0,1]=4 4952 B11R0.176 CC(C)CCCNC(=O)CCO 240690a_200000737386_100011216618 [0,1,0,0,0,0|2,0,0]=3 4953 B11R0.176 CC(C)CCCOC(C)CCBr 34a_100012276601_100011214892 [0,1,0,0,0,0|2,0,1]=4 4954 B11R0.176 CC(C)CCCOC(C)CCO 34a_100000210774_100009893172 [0,1,0,0,0,0|2,0,1]=4 4955 B11R0.176 CC(C)CCCOC(C)CCO 7a_100000210774_100009893172 [0,1,0,0,0,0|2,0,1]=4 4956 B11R0.176 CC(C)OCCNC(=O)CCO 240690a_100000701111_100011216618 [0,1,0,0,0,0|3,0,0]=4 4957 B11R0.176 CC(C)SCCNC(=O)CCO 240690a_100000731138_100011216618 [0,1,0,0,0,0|3,0,0]=4 4958 B11R0.176 CC(O)CCCOC(C)CCBr 34a_100012276601_200000718107 [0,1,0,0,0,0|2,0,1]=4 4959 B11R0.176 CC=CC(=O)CCCCC(C)C 1458a_100000210699_100011216152 [0,1,0,0,0,0|1,0,2]=4 4960 B11R0.176 CC=CC(=O)NCCCC(C)C 11a_200000737386_100000210699 [0,1,0,0,0,0|1,0,2]=4 4961 B11R0.176 CC=CC(=O)NCCCC(C)C 1626a_200000737386_100000210699 [0,1,0,0,0,0|1,0,2]=4 4962 B11R0.176 CC=CC(=O)NCCCC(C)C 240690a_200000737386_100000210699 [0,1,0,0,0,0|1,0,2]=4 4963 B11R0.176 CCCC(=O)CCCCB(O)O 1458a_100000211992_200009817182 [0,1,0,0,0,0|3,0,0]=4 4964 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,1,0,0,0,0|1,0,1]=3 4965 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,1,0,0,0,0|1,0,0]=2 4966 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,1,0,0,0,0|1,0,0]=2 4967 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,1,0,0,0,0|2,0,1]=4 4968 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,1,0,0,0,0|2,0,1]=4 4969 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [0,1,0,0,0,0|2,0,1]=4 4970 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,1,0,0,0,0|2,0,1]=4 4971 B11R0.176 CCCC(=O)CCOCC(F)F 1458a_100000211992_200012177212 [0,1,0,0,0,0|3,0,0]=4 4972 B11R0.176 CCCC(=O)CNCCC(C)O 2230a_200000755665_100000747444 [0,1,0,0,0,0|2,0,0]=3 4973 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,1,0,0,0,0|2,0,1]=4 4974 B11R0.176 CCCC(=O)COCCC(C)C 7a_100000210254_100000747444 [0,1,0,0,0,0|2,0,0]=3 4975 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,1,0,0,0,0|2,0,1]=4 4976 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,1,0,0,0,0|2,0,1]=4 4977 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000210312_100000747444 [0,1,0,0,0,0|2,0,0]=3 4978 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000747444_100000210312 [0,1,0,0,0,0|2,0,0]=3 4979 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100000747444_100012276601 [0,1,0,0,0,0|2,0,0]=3 4980 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100012276601_100000747444 [0,1,0,0,0,0|2,0,0]=3 4981 B11R0.176 CCCC(=O)CSCCN(C)C 62a_100000747444_100000755713 [0,1,0,0,0,0|3,0,0]=4 4982 B11R0.176 CCCC(=O)CSCOC(C)C 62a_100000709892_100000747444 [0,1,0,0,0,0|3,0,0]=4 4983 B11R0.176 CCCC(=O)CSCOC(C)C 62a_100000747444_100000709892 [0,1,0,0,0,0|3,0,0]=4 4984 B11R0.176 CCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211992 [0,1,0,0,0,0|2,0,1]=4 4985 B11R0.176 CCCC(=O)NCCCC(=O)N 527a_100000739312_100000211992 [0,1,0,0,0,0|2,0,1]=4 4986 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [0,1,0,0,0,0|1,0,0]=2 4987 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [0,1,0,0,0,0|1,0,0]=2 4988 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [0,1,0,0,0,0|1,0,0]=2 4989 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [0,1,0,0,0,0|1,0,0]=2 4990 B11R0.176 CCCC(=O)NCCCN(C)C 240690a_102531767803_100000211992 [0,1,0,0,0,0|2,0,0]=3 4991 B11R0.176 CCCC(=O)NCCCN(C)C 527a_102531767803_100000211992 [0,1,0,0,0,0|2,0,0]=3 4992 B11R0.176 CCCC(=O)NCCCS(=O)C 11a_200000753449_100000211992 [0,1,0,0,0,0|2,0,0]=3 4993 B11R0.176 CCCC(=O)NCCCS(=O)C 240690a_200000753449_100000211992 [0,1,0,0,0,0|2,0,0]=3 4994 B11R0.176 CCCC(=O)NCCCS(=O)C 527a_200000753449_100000211992 [0,1,0,0,0,0|2,0,0]=3 4995 B11R0.176 CCCC(=O)NCCNC(=O)C 240690a_100000209853_100000211992 [0,1,0,0,0,0|2,0,1]=4 4996 B11R0.176 CCCC(=O)NCCNC(=O)C 527a_100000209853_100000211992 [0,1,0,0,0,0|2,0,1]=4 4997 B11R0.176 CCCC(=O)NCCOC(=O)C 11a_100000724843_100000211992 [0,1,0,0,0,0|2,0,1]=4 4998 B11R0.176 CCCC(=O)NCCOC(=O)C 240690a_100000724843_100000211992 [0,1,0,0,0,0|2,0,1]=4 4999 B11R0.176 CCCC(=O)NCCOC(=O)C 527a_100000724843_100000211992 [0,1,0,0,0,0|2,0,1]=4 5000 B11R0.176 CCCC(=O)NCCOC(C)C 11a_100000701111_100000211992 [0,1,0,0,0,0|2,0,0]=3 5001 B11R0.176 CCCC(=O)NCCOC(C)C 1626a_100000701111_100000211992 [0,1,0,0,0,0|2,0,0]=3 5002 B11R0.176 CCCC(=O)NCCOC(C)C 240690a_100000701111_100000211992 [0,1,0,0,0,0|2,0,0]=3 5003 B11R0.176 CCCC(=O)NCCOC(C)C 527a_100000701111_100000211992 [0,1,0,0,0,0|2,0,0]=3 5004 B11R0.176 CCCC(=O)NCCSC(=O)C 11a_100020647217_100000211992 [0,1,0,0,0,0|2,0,1]=4 5005 B11R0.176 CCCC(=O)NCCSC(=O)C 240690a_100020647217_100000211992 [0,1,0,0,0,0|2,0,1]=4 5006 B11R0.176 CCCC(=O)NCCSC(=O)C 527a_100020647217_100000211992 [0,1,0,0,0,0|2,0,1]=4 5007 B11R0.176 CCCC(=O)NCCSC(C)C 11a_100000731138_100000211992 [0,1,0,0,0,0|2,0,0]=3 5008 B11R0.176 CCCC(=O)NCCSC(C)C 1626a_100000731138_100000211992 [0,1,0,0,0,0|2,0,0]=3 5009 B11R0.176 CCCC(=O)NCCSC(C)C 240690a_100000731138_100000211992 [0,1,0,0,0,0|2,0,0]=3 5010 B11R0.176 CCCC(=O)NCCSC(C)C 527a_100000731138_100000211992 [0,1,0,0,0,0|2,0,0]=3 5011 B11R0.176 CCCC(=O)NN=CCC(C)C 4a_100000189770_100000185833 [0,1,0,0,0,0|2,0,1]=4 5012 B11R0.176 CCCC(=O)NNCCN(C)C 22a_100000738145_100000211992 [0,1,0,0,0,0|3,0,0]=4 5013 B11R0.176 CCCC(=O)OCNCC(=O)N 2230a_100000711301_100000034017 [0,1,0,0,0,0|2,0,1]=4 5014 B11R0.176 CCCC(=O)OCNCC(=O)O 269956a_100016091260_100000034017 [0,1,0,0,0,0|2,0,1]=4 5015 B11R0.176 CCCC(=O)OCNCC(C)C 2230a_100000210953_100000034017 [0,1,0,0,0,0|1,0,0]=2 5016 B11R0.176 CCCC(=O)OCNCC(C)C 34a_100000210953_100000034017 [0,1,0,0,0,0|1,0,0]=2 5017 B11R0.176 CCCC(=O)OCNCC(C)O 2230a_100000210904_100000034017 [0,1,0,0,0,0|1,0,0]=2 5018 B11R0.176 CCCC(=O)OCNCC(C)O 34a_100000210904_100000034017 [0,1,0,0,0,0|1,0,0]=2 5019 B11R0.176 CCCC(=O)OCNCC(F)F 34a_100000765723_100000034017 [0,1,0,0,0,0|2,0,0]=3 5020 B11R0.176 CCCC(=O)OCOCC(=O)C 34a_100000211253_100000034017 [0,1,0,0,0,0|1,0,1]=3 5021 B11R0.176 CCCC(=O)OCOCC(C)Br 34a_100012180447_100000034017 [0,1,0,0,0,0|1,0,0]=2 5022 B11R0.176 CCCC(=O)OCOCC(C)C 34a_100000210257_100000034017 [0,1,0,0,0,0|1,0,0]=2 5023 B11R0.176 CCCC(=O)OCOCC(C)F 34a_100015925927_100000034017 [0,1,0,0,0,0|1,0,0]=2 5024 B11R0.176 CCCC(=O)OCOCC(F)F 34a_100000743014_100000034017 [0,1,0,0,0,0|2,0,0]=3 5025 B11R0.176 CCCC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100000034017 [0,1,0,0,0,0|1,0,0]=2 5026 B11R0.176 CCCC(=O)OCOC[C@@H](C)N 34a_100000737577_100000034017 [0,1,0,0,0,0|1,0,0]=2 5027 B11R0.176 CCCC(=O)OCSCC(=O)N 62a_100000747473_100000034017 [0,1,0,0,0,0|2,0,1]=4 5028 B11R0.176 CCCC(=O)OCSCC(=O)[O-] 62a_100020667443_100000034017 [0,1,0,0,0,0|2,0,1]=4 5029 B11R0.176 CCCC(=O)OCSCC(C)C 62a_100000210624_100000034017 [0,1,0,0,0,0|1,0,0]=2 5030 B11R0.176 CCCC(=O)OCSCC(C)O 62a_100011218427_100000034017 [0,1,0,0,0,0|1,0,0]=2 5031 B11R0.176 CCCC(=O)OCSCC(F)F 62a_100011934356_100000034017 [0,1,0,0,0,0|2,0,0]=3 5032 B11R0.176 CCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100000034017 [0,1,0,0,0,0|1,0,0]=2 5033 B11R0.176 CCCC(C)NCCCC(C)C 2230a_100000741246_100011214892 [0,1,0,0,0,0|2,0,1]=4 5034 B11R0.176 CCCC(C)NCCCC(C)C 2230a_200000737386_100000766640 [0,1,0,0,0,0|2,0,1]=4 5035 B11R0.176 CCCC(C)NCCCC(C)C 270004a_200000737386_100000211909 [0,1,0,0,0,0|2,0,1]=4 5036 B11R0.176 CCCC(C)NCCCC(C)C 34a_200000737386_100000766640 [0,1,0,0,0,0|2,0,1]=4 5037 B11R0.176 CCCC(C)NCCCC(C)O 2230a_100000741246_200000718107 [0,1,0,0,0,0|2,0,1]=4 5038 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,1,0,0,0,0|1,0,2]=4 5039 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,1,0,0,0,0|1,0,2]=4 5040 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,1,0,0,0,0|1,0,2]=4 5041 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,1,0,0,0,0|1,0,2]=4 5042 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000210774_100000766640 [0,1,0,0,0,0|1,0,1]=3 5043 B11R0.176 CCCC(C)OCCCC(C)C 34a_100000764384_100011214892 [0,1,0,0,0,0|1,0,1]=3 5044 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000210774_100000766640 [0,1,0,0,0,0|1,0,1]=3 5045 B11R0.176 CCCC(C)OCCCC(C)C 7a_100000764384_100011214892 [0,1,0,0,0,0|1,0,1]=3 5046 B11R0.176 CCCC(C)OCCCC(C)O 34a_100000764384_200000718107 [0,1,0,0,0,0|1,0,1]=3 5047 B11R0.176 CCCC(C)OCCCC(C)O 7a_100000764384_200000718107 [0,1,0,0,0,0|1,0,1]=3 5048 B11R0.176 CCCC(C)OCCCN(C)C 7a_100000764384_100000757444 [0,1,0,0,0,0|2,0,1]=4 5049 B11R0.176 CCCC(C)OCCNC(C)C 34a_100000224655_100000766640 [0,1,0,0,0,0|2,0,1]=4 5050 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000211219_100000766640 [0,1,0,0,0,0|2,0,1]=4 5051 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000764384_100000211751 [0,1,0,0,0,0|2,0,1]=4 5052 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000211219_100000766640 [0,1,0,0,0,0|2,0,1]=4 5053 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000764384_100000211751 [0,1,0,0,0,0|2,0,1]=4 5054 B11R0.176 CCCC(C)OCCSC(C)C 34a_100000764384_100000730970 [0,1,0,0,0,0|2,0,1]=4 5055 B11R0.176 CCCC(C)OCCSC(C)C 34a_200011212901_100000766640 [0,1,0,0,0,0|2,0,1]=4 5056 B11R0.176 CCCC(C)OCCSC(C)C 7a_100000764384_100000730970 [0,1,0,0,0,0|2,0,1]=4 5057 B11R0.176 CCCC(C)OCCSC(C)C 7a_200011212901_100000766640 [0,1,0,0,0,0|2,0,1]=4 5058 B11R0.176 CCCC(C)SCCCC(C)C 62a_100000766640_100011214892 [0,1,0,0,0,0|1,1,1]=4 5059 B11R0.176 CCCC(C)SCCCC(C)C 62a_100011214892_100000766640 [0,1,0,0,0,0|1,1,1]=4 5060 B11R0.176 CCCC(C)SCCCC(C)O 62a_100000766640_200000718107 [0,1,0,0,0,0|1,1,1]=4 5061 B11R0.176 CCCC(C)SCCCC(C)O 62a_200000718107_100000766640 [0,1,0,0,0,0|1,1,1]=4 5062 B11R0.176 CCCN(C)CCCCC(C)C 2230a_100000747261_100011216152 [0,1,0,0,0,0|3,0,0]=4 5063 B11R0.176 CCCN(C)CCCCC(C)C 269982a_100000747261_100011216152 [0,1,0,0,0,0|3,0,0]=4 5064 B11R0.176 CCNC(=O)CCCCC(C)C 11a_100015525214_100011933920 [0,1,0,0,0,0|2,0,0]=3 5065 B11R0.176 CCNC(=O)CCCCC(C)C 240690a_100015525214_100011933920 [0,1,0,0,0,0|2,0,0]=3 5066 B11R0.176 CCNC(=O)CCCCC(C)C 527a_100015525214_100011933920 [0,1,0,0,0,0|2,0,0]=3 5067 B11R0.176 CCNC(=O)CCCCN(C)C 11a_100015525214_100000751710 [0,1,0,0,0,0|3,0,0]=4 5068 B11R0.176 CCNC(=O)CCCCN(C)C 240690a_100015525214_100000751710 [0,1,0,0,0,0|3,0,0]=4 5069 B11R0.176 CCNC(=O)CCCCN(C)C 527a_100015525214_100000751710 [0,1,0,0,0,0|3,0,0]=4 5070 B11R0.176 CCNC(=O)CCNCC(C)C 2230a_100000210953_100000737597 [0,1,0,0,0,0|3,0,0]=4 5071 B11R0.176 CCNC(=O)CCNCC(C)C 270004a_100025743525_100000210432 [0,1,0,0,0,0|3,0,0]=4 5072 B11R0.176 CCNC(=O)CCNCC(C)C 34a_100025743525_100000210624 [0,1,0,0,0,0|3,0,0]=4 5073 B11R0.176 CCNC(=O)CCNCC(C)O 2230a_100000210904_100000737597 [0,1,0,0,0,0|3,0,0]=4 5074 B11R0.176 CCNC(=O)CCNCC(C)O 34a_100025743525_100011218427 [0,1,0,0,0,0|3,0,0]=4 5075 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 34a_100025743525_100009817552 [0,1,0,0,0,0|3,0,0]=4 5076 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000210624_100000737597 [0,1,0,0,0,0|3,0,0]=4 5077 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000737597_100000210760 [0,1,0,0,0,0|3,0,0]=4 5078 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100000737597_100011218427 [0,1,0,0,0,0|3,0,0]=4 5079 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100011218427_100000737597 [0,1,0,0,0,0|3,0,0]=4 5080 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100000737597_100009817552 [0,1,0,0,0,0|3,0,0]=4 5081 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737597 [0,1,0,0,0,0|3,0,0]=4 5082 B11R0.176 CCNC(=O)CNCCC(C)C 2230a_100016988866_100000210312 [0,1,0,0,0,0|3,0,0]=4 5083 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_100016988866_100012276601 [0,1,0,0,0,0|3,0,0]=4 5084 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_200000755665_100000183381 [0,1,0,0,0,0|3,0,0]=4 5085 B11R0.176 CCNC(=O)COCCC(C)Br 34a_100009893172_100000183381 [0,1,0,0,0,0|3,0,0]=4 5086 B11R0.176 CCNC(=O)COCCC(C)C 34a_100000210254_100000183381 [0,1,0,0,0,0|3,0,0]=4 5087 B11R0.176 CCNC(=O)COCCC(C)C 7a_100000210254_100000183381 [0,1,0,0,0,0|3,0,0]=4 5088 B11R0.176 CCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183381 [0,1,0,0,0,0|3,0,0]=4 5089 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000183381_100000210312 [0,1,0,0,0,0|3,0,0]=4 5090 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000210312_100000183381 [0,1,0,0,0,0|3,0,0]=4 5091 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100000183381_100012276601 [0,1,0,0,0,0|3,0,0]=4 5092 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100012276601_100000183381 [0,1,0,0,0,0|3,0,0]=4 5093 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_100015525214_200000737386 [0,1,0,0,0,0|2,0,0]=3 5094 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_200000737386_100015525214 [0,1,0,0,0,0|2,0,0]=3 5095 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_100015525214_200000737386 [0,1,0,0,0,0|2,0,0]=3 5096 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_200000737386_100015525214 [0,1,0,0,0,0|2,0,0]=3 5097 B11R0.176 CCNC(=O)NCCCC(C)C 512a_100015525214_200000737386 [0,1,0,0,0,0|2,0,0]=3 5098 B11R0.176 CCNC(=O)NCCCC(C)C 512a_200000737386_100015525214 [0,1,0,0,0,0|2,0,0]=3 5099 B11R0.176 CCNC(=O)NCCCN(C)C 2708a_100015525214_102531767803 [0,1,0,0,0,0|3,0,0]=4 5100 B11R0.176 CCNC(=O)NCCCN(C)C 273464a_100015525214_102531767803 [0,1,0,0,0,0|3,0,0]=4 5101 B11R0.176 CCNC(=O)NCCCN(C)C 273464a_102531767803_100015525214 [0,1,0,0,0,0|3,0,0]=4 5102 B11R0.176 CCNC(=O)NCCCN(C)C 512a_100015525214_102531767803 [0,1,0,0,0,0|3,0,0]=4 5103 B11R0.176 CCNC(=O)NCCCN(C)C 512a_102531767803_100015525214 [0,1,0,0,0,0|3,0,0]=4 5104 B11R0.176 CCNC(=O)NCCCS(=O)C 2708a_100015525214_200000753449 [0,1,0,0,0,0|3,0,0]=4 5105 B11R0.176 CCNC(=O)NCCCS(=O)C 2708a_200000753449_100015525214 [0,1,0,0,0,0|3,0,0]=4 5106 B11R0.176 CCNC(=O)NCCCS(=O)C 273464a_100015525214_200000753449 [0,1,0,0,0,0|3,0,0]=4 5107 B11R0.176 CCNC(=O)NCCCS(=O)C 273464a_200000753449_100015525214 [0,1,0,0,0,0|3,0,0]=4 5108 B11R0.176 CCNC(=O)NCCCS(=O)C 512a_100015525214_200000753449 [0,1,0,0,0,0|3,0,0]=4 5109 B11R0.176 CCNC(=O)NCCCS(=O)C 512a_200000753449_100015525214 [0,1,0,0,0,0|3,0,0]=4 5110 B11R0.176 CCNC(=O)NCCOC(C)C 2708a_100000701111_100015525214 [0,1,0,0,0,0|3,0,0]=4 5111 B11R0.176 CCNC(=O)NCCOC(C)C 2708a_100015525214_100000701111 [0,1,0,0,0,0|3,0,0]=4 5112 B11R0.176 CCNC(=O)NCCOC(C)C 273464a_100000701111_100015525214 [0,1,0,0,0,0|3,0,0]=4 5113 B11R0.176 CCNC(=O)NCCOC(C)C 273464a_100015525214_100000701111 [0,1,0,0,0,0|3,0,0]=4 5114 B11R0.176 CCNC(=O)NCCOC(C)C 512a_100000701111_100015525214 [0,1,0,0,0,0|3,0,0]=4 5115 B11R0.176 CCNC(=O)NCCOC(C)C 512a_100015525214_100000701111 [0,1,0,0,0,0|3,0,0]=4 5116 B11R0.176 CCNC(=O)NCCSC(C)C 2708a_100000731138_100015525214 [0,1,0,0,0,0|3,0,0]=4 5117 B11R0.176 CCNC(=O)NCCSC(C)C 2708a_100015525214_100000731138 [0,1,0,0,0,0|3,0,0]=4 5118 B11R0.176 CCNC(=O)NCCSC(C)C 273464a_100000731138_100015525214 [0,1,0,0,0,0|3,0,0]=4 5119 B11R0.176 CCNC(=O)NCCSC(C)C 273464a_100015525214_100000731138 [0,1,0,0,0,0|3,0,0]=4 5120 B11R0.176 CCNC(=O)NCCSC(C)C 512a_100000731138_100015525214 [0,1,0,0,0,0|3,0,0]=4 5121 B11R0.176 CCNC(=O)NCCSC(C)C 512a_100015525214_100000731138 [0,1,0,0,0,0|3,0,0]=4 5122 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,1,0,0,0,0|2,0,1]=4 5123 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,1,0,0,0,0|2,0,1]=4 5124 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,1,0,0,0,0|2,0,1]=4 5125 B11R0.176 CCOC(=O)CCCCN(C)C 2230a_100102631434_100000750268 [0,1,0,0,0,0|3,0,0]=4 5126 B11R0.176 CCOC(=O)CCCCN(C)C 269982a_100102631434_100000750268 [0,1,0,0,0,0|3,0,0]=4 5127 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [0,1,0,0,0,0|3,0,0]=4 5128 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [0,1,0,0,0,0|3,0,0]=4 5129 B11R0.176 CCOC(=O)CCCOC(C)C 34a_100000212225_100009991533 [0,1,0,0,0,0|3,0,0]=4 5130 B11R0.176 CCOC(=O)CCCOC(C)C 7a_100012001163_100000210206 [0,1,0,0,0,0|3,0,0]=4 5131 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100000210206_100009991533 [0,1,0,0,0,0|3,0,0]=4 5132 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100009991533_100000210206 [0,1,0,0,0,0|3,0,0]=4 5133 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [0,1,0,0,0,0|3,0,0]=4 5134 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [0,1,0,0,0,0|3,0,0]=4 5135 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [0,1,0,0,0,0|3,0,0]=4 5136 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [0,1,0,0,0,0|3,0,0]=4 5137 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [0,1,0,0,0,0|3,0,0]=4 5138 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [0,1,0,0,0,0|3,0,0]=4 5139 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [0,1,0,0,0,0|3,0,0]=4 5140 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [0,1,0,0,0,0|3,0,0]=4 5141 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [0,1,0,0,0,0|3,0,0]=4 5142 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [0,1,0,0,0,0|3,0,0]=4 5143 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [0,1,0,0,0,0|3,0,0]=4 5144 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [0,1,0,0,0,0|3,0,0]=4 5145 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [0,1,0,0,0,0|3,0,0]=4 5146 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [0,1,0,0,0,0|3,0,0]=4 5147 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [0,1,0,0,0,0|3,0,0]=4 5148 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [0,1,0,0,0,0|3,0,0]=4 5149 B11R0.176 CCOC(=O)COCCC(C)Br 34a_100009893172_100000188475 [0,1,0,0,0,0|3,0,0]=4 5150 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [0,1,0,0,0,0|3,0,0]=4 5151 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [0,1,0,0,0,0|3,0,0]=4 5152 B11R0.176 CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000188475 [0,1,0,0,0,0|3,0,0]=4 5153 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000188475_100000210312 [0,1,0,0,0,0|3,0,0]=4 5154 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000210312_100000188475 [0,1,0,0,0,0|3,0,0]=4 5155 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [0,1,0,0,0,0|3,0,0]=4 5156 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [0,1,0,0,0,0|3,0,0]=4 5157 B11R0.176 CCOC(=O)NCCOC(C)C 34a_100000158857_100000210206 [0,1,0,0,0,0|3,0,0]=4 5158 B11R0.176 CCOC(=O)NCCSC(C)C 62a_100000210206_200011445536 [0,1,0,0,0,0|3,0,0]=4 5159 B11R0.176 CCOC(=O)OCSCC(C)C 62a_100000210624_100000075025 [0,1,0,0,0,0|2,0,0]=3 5160 B11R0.176 CCOC(=O)OCSCC(C)O 62a_100011218427_100000075025 [0,1,0,0,0,0|2,0,0]=3 5161 B11R0.176 CCOC(=O)OCSCC(F)F 62a_100011934356_100000075025 [0,1,0,0,0,0|3,0,0]=4 5162 B11R0.176 CCOC(=O)OCSC[C@@H](C)O 62a_100009817552_100000075025 [0,1,0,0,0,0|2,0,0]=3 5163 B11R0.176 CN(C)CCCNC(=O)CCO 240690a_102531767803_100011216618 [0,1,0,0,0,0|3,0,0]=4 5164 B11R0.176 CNNC(=O)CCCCC(C)C 22a_100016993582_100011933920 [0,1,0,0,0,0|3,0,0]=4 5165 B11R0.176 CNNC(=O)NCCCC(C)C 273464a_200000737386_100016993582 [0,1,0,0,0,0|3,0,0]=4 5166 B11R0.176 CNNC(=O)NCCCC(C)C 512a_100016993582_200000737386 [0,1,0,0,0,0|3,0,0]=4 5167 B11R0.176 CNNC(=O)NCCCC(C)C 512a_200000737386_100016993582 [0,1,0,0,0,0|3,0,0]=4 5168 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,1,0,0,0,0|2,0,1]=4 5169 B11R0.176 COCC(=O)CCCCC(C)C 1458a_100000210968_100011216152 [0,1,0,0,0,0|2,0,0]=3 5170 B11R0.176 COCC(=O)NCCCC(C)C 11a_200000737386_100000210968 [0,1,0,0,0,0|2,0,0]=3 5171 B11R0.176 COCC(=O)NCCCC(C)C 1626a_200000737386_100000210968 [0,1,0,0,0,0|2,0,0]=3 5172 B11R0.176 COCC(=O)NCCCC(C)C 240690a_200000737386_100000210968 [0,1,0,0,0,0|2,0,0]=3 5173 B11R0.176 COCC(=O)NCCCC(C)C 527a_200000737386_100000210968 [0,1,0,0,0,0|2,0,0]=3 5174 B11R0.176 COCC(=O)NCCCN(C)C 240690a_102531767803_100000210968 [0,1,0,0,0,0|3,0,0]=4 5175 B11R0.176 COCC(=O)NCCCN(C)C 527a_102531767803_100000210968 [0,1,0,0,0,0|3,0,0]=4 5176 B11R0.176 COCC(=O)NCCCS(=O)C 11a_200000753449_100000210968 [0,1,0,0,0,0|3,0,0]=4 5177 B11R0.176 COCC(=O)NCCCS(=O)C 240690a_200000753449_100000210968 [0,1,0,0,0,0|3,0,0]=4 5178 B11R0.176 COCC(=O)NCCCS(=O)C 527a_200000753449_100000210968 [0,1,0,0,0,0|3,0,0]=4 5179 B11R0.176 COCC(=O)NCCOC(C)C 11a_100000701111_100000210968 [0,1,0,0,0,0|3,0,0]=4 5180 B11R0.176 COCC(=O)NCCOC(C)C 1626a_100000701111_100000210968 [0,1,0,0,0,0|3,0,0]=4 5181 B11R0.176 COCC(=O)NCCOC(C)C 240690a_100000701111_100000210968 [0,1,0,0,0,0|3,0,0]=4 5182 B11R0.176 COCC(=O)NCCOC(C)C 527a_100000701111_100000210968 [0,1,0,0,0,0|3,0,0]=4 5183 B11R0.176 COCC(=O)NCCSC(C)C 11a_100000731138_100000210968 [0,1,0,0,0,0|3,0,0]=4 5184 B11R0.176 COCC(=O)NCCSC(C)C 1626a_100000731138_100000210968 [0,1,0,0,0,0|3,0,0]=4 5185 B11R0.176 COCC(=O)NCCSC(C)C 240690a_100000731138_100000210968 [0,1,0,0,0,0|3,0,0]=4 5186 B11R0.176 COCC(=O)NCCSC(C)C 527a_100000731138_100000210968 [0,1,0,0,0,0|3,0,0]=4 5187 B11R0.176 COCC(C)OCCCC(C)C 34a_100000210774_100000765312 [0,1,0,0,0,0|2,0,1]=4 5188 B11R0.176 COCC(C)OCCCC(C)C 7a_100000210774_100000765312 [0,1,0,0,0,0|2,0,1]=4 5189 B11R0.176 COC[C@@H](C)OCCCC(C)C 34a_100011934205_100011214892 [0,1,0,0,0,0|2,0,1]=4 5190 B11R0.176 COC[C@@H](C)OCCCC(C)O 34a_100011934205_200000718107 [0,1,0,0,0,0|2,0,1]=4 5191 B11R0.176 CS(=O)CCCNC(=O)CCO 240690a_200000753449_100011216618 [0,1,0,0,0,0|3,0,0]=4 5192 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,1,0,0,0,0|2,0,1]=4 5193 B11R0.176 CSCC(=O)CCCCC(C)C 1458a_100000184570_100011216152 [0,1,0,0,0,0|2,0,0]=3 5194 B11R0.176 CSCC(=O)NCCCC(C)C 11a_200000737386_100000184570 [0,1,0,0,0,0|2,0,0]=3 5195 B11R0.176 CSCC(=O)NCCCC(C)C 1626a_200000737386_100000184570 [0,1,0,0,0,0|2,0,0]=3 5196 B11R0.176 CSCC(=O)NCCCC(C)C 240690a_200000737386_100000184570 [0,1,0,0,0,0|2,0,0]=3 5197 B11R0.176 CSCC(=O)NCCCC(C)C 527a_200000737386_100000184570 [0,1,0,0,0,0|2,0,0]=3 5198 B11R0.176 CSCC(=O)NCCCN(C)C 240690a_102531767803_100000184570 [0,1,0,0,0,0|3,0,0]=4 5199 B11R0.176 CSCC(=O)NCCCN(C)C 527a_102531767803_100000184570 [0,1,0,0,0,0|3,0,0]=4 5200 B11R0.176 CSCC(=O)NCCCS(=O)C 11a_200000753449_100000184570 [0,1,0,0,0,0|3,0,0]=4 5201 B11R0.176 CSCC(=O)NCCCS(=O)C 240690a_200000753449_100000184570 [0,1,0,0,0,0|3,0,0]=4 5202 B11R0.176 CSCC(=O)NCCCS(=O)C 527a_200000753449_100000184570 [0,1,0,0,0,0|3,0,0]=4 5203 B11R0.176 CSCC(=O)NCCOC(C)C 11a_100000701111_100000184570 [0,1,0,0,0,0|3,0,0]=4 5204 B11R0.176 CSCC(=O)NCCOC(C)C 1626a_100000701111_100000184570 [0,1,0,0,0,0|3,0,0]=4 5205 B11R0.176 CSCC(=O)NCCOC(C)C 240690a_100000701111_100000184570 [0,1,0,0,0,0|3,0,0]=4 5206 B11R0.176 CSCC(=O)NCCOC(C)C 527a_100000701111_100000184570 [0,1,0,0,0,0|3,0,0]=4 5207 B11R0.176 CSCC(=O)NCCSC(C)C 11a_100000731138_100000184570 [0,1,0,0,0,0|3,0,0]=4 5208 B11R0.176 CSCC(=O)NCCSC(C)C 1626a_100000731138_100000184570 [0,1,0,0,0,0|3,0,0]=4 5209 B11R0.176 CSCC(=O)NCCSC(C)C 240690a_100000731138_100000184570 [0,1,0,0,0,0|3,0,0]=4 5210 B11R0.176 CSCC(=O)NCCSC(C)C 527a_100000731138_100000184570 [0,1,0,0,0,0|3,0,0]=4 5211 B11R0.304 CCCC(C)(C)OCCCCF 7a_100000748436_100000729493 [0,1,0,0,0,0|2,0,1]=4 5212 B11R0.304 CCCC(C)(C)OCCCCO 7a_100000748436_100000210776 [0,1,0,0,0,0|2,0,1]=4 5213 B11R0.304 CCCC(C)(C)OCCCOC 7a_100000748436_100000740836 [0,1,0,0,0,0|2,0,1]=4 5214 B11R0.304 CCCC(C)(C)OCCOCC 7a_100000748436_100011215890 [0,1,0,0,0,0|2,0,1]=4 5215 B11R0.304 CCCC(C)(C)OCCSCC 7a_100000748436_100000757381 [0,1,0,0,0,0|2,0,1]=4 5216 B11R0.304 CCCCCCS(=O)(=O)NCC 270084a_100015525214_100011361803 [0,1,0,0,0,0|3,0,0]=4 5217 B11R0.304 CCCCCCS(=O)(=O)NCC 274078a_100015525214_100011361803 [0,1,0,0,0,0|3,0,0]=4 5218 B11R0.304 CCCCCNS(=O)(=O)CCBr 270084a_100000209983_100000731045 [0,1,0,0,0,0|3,0,0]=4 5219 B11R0.304 CCCCCNS(=O)(=O)CCBr 274078a_100000209983_100000731045 [0,1,0,0,0,0|3,0,0]=4 5220 B11R0.304 CCCCCNS(=O)(=O)CCC 270084a_100000209983_100000211391 [0,1,0,0,0,0|2,0,0]=3 5221 B11R0.304 CCCCCNS(=O)(=O)CCC 274078a_100000209983_100000211391 [0,1,0,0,0,0|2,0,0]=3 5222 B11R0.304 CCCCCNS(=O)(=O)CCC 40a_100000209983_100000054278 [0,1,0,0,0,0|2,0,0]=3 5223 B11R0.304 CCCCCNS(=O)(=O)CCCl 270084a_100000209983_100000184613 [0,1,0,0,0,0|3,0,0]=4 5224 B11R0.304 CCCCCNS(=O)(=O)CCCl 274078a_100000209983_100000184613 [0,1,0,0,0,0|3,0,0]=4 5225 B11R0.304 CCCCCOC(C)(C)CCBr 7a_100000702414_100000210326 [0,1,0,0,0,0|2,0,1]=4 5226 B11R0.304 CCCCCOC(C)(C)CCC 7a_100000748436_100000210326 [0,1,0,0,0,0|1,0,1]=3 5227 B11R0.304 CCCCNNS(=O)(=O)CCC 40a_100025702795_100000054278 [0,1,0,0,0,0|3,0,0]=4 5228 B11R0.304 CCCS(=O)(=O)NCCCCO 270084a_100000750430_100000211391 [0,1,0,0,0,0|3,0,0]=4 5229 B11R0.304 CCCS(=O)(=O)NCCCCO 274078a_100000750430_100000211391 [0,1,0,0,0,0|3,0,0]=4 5230 B11R0.304 CCCS(=O)(=O)NCCCCO 40a_100000750430_100000054278 [0,1,0,0,0,0|3,0,0]=4 5231 B11R0.304 CCCS(=O)(=O)NCCCOC 270084a_100150723488_100000211391 [0,1,0,0,0,0|3,0,0]=4 5232 B11R0.304 CCCS(=O)(=O)NCCCOC 274078a_100150723488_100000211391 [0,1,0,0,0,0|3,0,0]=4 5233 B11R0.304 CCCS(=O)(=O)NCCCOC 40a_100150723488_100000054278 [0,1,0,0,0,0|3,0,0]=4 5234 B11R0.304 CCCS(=O)(=O)NCCCSC 270084a_100000749238_100000211391 [0,1,0,0,0,0|3,0,0]=4 5235 B11R0.304 CCCS(=O)(=O)NCCCSC 274078a_100000749238_100000211391 [0,1,0,0,0,0|3,0,0]=4 5236 B11R0.304 CCCS(=O)(=O)NCCCSC 40a_100000749238_100000054278 [0,1,0,0,0,0|3,0,0]=4 5237 B11R0.304 CCCS(=O)(=O)NCCOCC 270084a_102516460346_100000211391 [0,1,0,0,0,0|3,0,0]=4 5238 B11R0.304 CCCS(=O)(=O)NCCOCC 274078a_102516460346_100000211391 [0,1,0,0,0,0|3,0,0]=4 5239 B11R0.304 CCCS(=O)(=O)NCCOCC 40a_100011200944_100000054278 [0,1,0,0,0,0|3,0,0]=4 5240 B11R0.304 CCCS(=O)(=O)NCCSCC 270084a_100000106463_100000211391 [0,1,0,0,0,0|3,0,0]=4 5241 B11R0.304 CCCS(=O)(=O)NCCSCC 274078a_100000106463_100000211391 [0,1,0,0,0,0|3,0,0]=4 5242 B11R0.304 CCCS(=O)(=O)NCCSCC 40a_100000106463_100000054278 [0,1,0,0,0,0|3,0,0]=4 5243 B11R1.4 BrCCCCOC1CCCC1 34a_100011216708_100000179811 [0,0,0,1,0,0|2,0,1]=4 5244 B11R1.4 CCCCCCN1CCCC1 2230a_100000188435_100000210314 [0,0,0,1,0,0|3,0,0]=4 5245 B11R1.4 CCCCCCN1CCCC1 269982a_100000188435_100000210757 [0,0,0,1,0,0|3,0,0]=4 5246 B11R1.4 CCCCCNC1CCCC1 2230a_100000209983_100000179811 [0,0,0,1,0,0|2,0,1]=4 5247 B11R1.4 CCCCCNC1CCCC1 2230a_100000211070_100000210326 [0,0,0,1,0,0|2,0,1]=4 5248 B11R1.4 CCCCCNC1CCCC1 270004a_100000209983_100000210133 [0,0,0,1,0,0|2,0,1]=4 5249 B11R1.4 CCCCCNC1CCCC1 34a_100000211070_100000718602 [0,0,0,1,0,0|2,0,1]=4 5250 B11R1.4 CCCCCOC1CCCC1 34a_100000210253_100000179811 [0,0,0,1,0,0|1,0,1]=3 5251 B11R1.4 CCCCCOC1CCCC1 34a_100000210269_100000718602 [0,0,0,1,0,0|1,0,1]=3 5252 B11R1.4 CCCCCOC1CCCC1 7a_100000210253_100000179811 [0,0,0,1,0,0|1,0,1]=3 5253 B11R1.4 CCCCCOC1CCCC1 7a_100000210269_100000210326 [0,0,0,1,0,0|1,0,1]=3 5254 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [0,0,0,1,0,0|0,0,2]=3 5255 B11R1.4 CCCCCOC1CCOC1 34a_100000210253_100000690089 [0,0,0,1,0,0|2,0,1]=4 5256 B11R1.4 CCCCCOC1CCOC1 7a_100000210253_100000731011 [0,0,0,1,0,0|2,0,1]=4 5257 B11R1.4 CCCCCOC1CCSC1 7a_100011232664_100000210326 [0,0,0,1,0,0|2,0,1]=4 5258 B11R1.4 CCCCCO[C@H]1CCOC1 34a_100000717292_100000718602 [0,0,0,1,0,0|2,0,1]=4 5259 B11R1.4 CCCCCSC1CCCC1 62a_100000210326_100000179811 [0,0,0,1,0,0|1,1,1]=4 5260 B11R1.4 CCCCCSC1CCCC1 62a_100011217020_100000210326 [0,0,0,1,0,0|1,1,1]=4 5261 B11R1.4 CCCCNN=C1CCCC1 4a_100025702795_100000210133 [0,0,0,1,0,0|3,0,0]=4 5262 B11R1.4 CCNCCOC1CCCC1 34a_100000741755_100000210202 [0,0,0,1,0,0|2,0,1]=4 5263 B11R1.4 CCOCCOC1CCCC1 34a_100000210136_100000179811 [0,0,0,1,0,0|2,0,1]=4 5264 B11R1.4 CCOCCOC1CCCC1 34a_100000210269_100000210147 [0,0,0,1,0,0|2,0,1]=4 5265 B11R1.4 CCOCCOC1CCCC1 34a_100000738311_100000210202 [0,0,0,1,0,0|2,0,1]=4 5266 B11R1.4 CCOCCOC1CCCC1 7a_100000210136_100000179811 [0,0,0,1,0,0|2,0,1]=4 5267 B11R1.4 CCOCCOC1CCCC1 7a_100000210269_100011215890 [0,0,0,1,0,0|2,0,1]=4 5268 B11R1.4 CCOCCOC1CCCC1 7a_100000738311_100000210202 [0,0,0,1,0,0|2,0,1]=4 5269 B11R1.4 CCOCCOC1CCCO1 34a_100000085407_100000210147 [0,0,0,1,0,0|1,0,2]=4 5270 B11R1.4 CCSCCOC1CCCC1 34a_100000210269_100000757381 [0,0,0,1,0,0|2,0,1]=4 5271 B11R1.4 CCSCCOC1CCCC1 34a_100000212035_100000179811 [0,0,0,1,0,0|2,0,1]=4 5272 B11R1.4 CCSCCOC1CCCC1 7a_100000210269_100000757381 [0,0,0,1,0,0|2,0,1]=4 5273 B11R1.4 CCSCCOC1CCCC1 7a_100000212035_100000179811 [0,0,0,1,0,0|2,0,1]=4 5274 B11R1.4 CCSCCOC1CCCO1 34a_100000085407_100000757381 [0,0,0,1,0,0|1,0,2]=4 5275 B11R1.4 CNCCCOC1CCCC1 34a_100000213112_100000179811 [0,0,0,1,0,0|2,0,1]=4 5276 B11R1.4 CNCCCOC1CCCC1 34a_100000747560_200000210301 [0,0,0,1,0,0|2,0,1]=4 5277 B11R1.4 COCCCOC1CCCC1 34a_100000210269_100000740836 [0,0,0,1,0,0|2,0,1]=4 5278 B11R1.4 COCCCOC1CCCC1 34a_100000740835_100000179811 [0,0,0,1,0,0|2,0,1]=4 5279 B11R1.4 COCCCOC1CCCC1 7a_100000210269_100000740836 [0,0,0,1,0,0|2,0,1]=4 5280 B11R1.4 COCCCOC1CCCO1 34a_100000085407_100000740836 [0,0,0,1,0,0|1,0,2]=4 5281 B11R1.4 CSCCCOC1CCCC1 34a_100000690336_100000179811 [0,0,0,1,0,0|2,0,1]=4 5282 B11R1.4 CSCCCOC1CCCC1 7a_100000690336_100000179811 [0,0,0,1,0,0|2,0,1]=4 5283 B11R1.4 ClCCCCOC1CCCC1 34a_100000210776_100000179811 [0,0,0,1,0,0|2,0,1]=4 5284 B11R1.4 ClCCCCOC1CCCC1 7a_100000210776_100000179811 [0,0,0,1,0,0|2,0,1]=4 5285 B11R1.4 FCCCCOC1CCCC1 34a_100000210269_100000729493 [0,0,0,1,0,0|2,0,1]=4 5286 B11R1.4 FCCCCOC1CCCC1 34a_100011995726_100000179811 [0,0,0,1,0,0|2,0,1]=4 5287 B11R1.4 FCCCCOC1CCCC1 7a_100000210269_100000729493 [0,0,0,1,0,0|2,0,1]=4 5288 B11R1.4 FCCCCOC1CCCC1 7a_100011995726_100000179811 [0,0,0,1,0,0|2,0,1]=4 5289 B11R1.4 FCCCCOC1CCCO1 34a_100000085407_100000729493 [0,0,0,1,0,0|1,0,2]=4 5290 B11R1.4 ICCCCOC1CCCC1 34a_200012148704_100000179811 [0,0,0,1,0,0|2,0,1]=4 5291 B11R1.4 NCCCCOC1CCCC1 34a_100000750430_100000179811 [0,0,0,1,0,0|2,0,1]=4 5292 B11R1.4 OCCCCOC1CCCC1 34a_100000210269_100011216708 [0,0,0,1,0,0|2,0,1]=4 5293 B11R1.4 OCCCCOC1CCCC1 7a_100000210269_100000210776 [0,0,0,1,0,0|2,0,1]=4 5294 B11R1.4 OCCCCOC1CCCO1 34a_100000085407_100011216708 [0,0,0,1,0,0|1,0,2]=4 5295 B11R1.4 [13CH3]NCCCOC1CCCC1 34a_100000747560_200025704644 [0,0,0,1,0,0|2,0,1]=4 5296 B11R1.16 C#CCC(=O)C1CCCCC1 1458a_100000210647_100000184674 [0,0,0,1,0,0|1,0,2]=4 5297 B11R1.16 C#CCC(=O)C1CCCCC1 1458a_100011220946_100000210327 [0,0,0,1,0,0|1,0,2]=4 5298 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210193_100000210327 [0,0,0,1,0,0|1,0,2]=4 5299 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210647_100000210623 [0,0,0,1,0,0|1,0,2]=4 5300 B11R1.16 CC#CC(=O)C1CCCCC1 1458a_100000763181_100000210327 [0,0,0,1,0,0|1,0,2]=4 5301 B11R1.16 CC=CC(=O)C1CCCCC1 1458a_100000210699_100000210327 [0,0,0,1,0,0|1,0,2]=4 5302 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [0,0,0,1,0,0|1,0,1]=3 5303 B11R1.16 CCCC(=O)C1=CCCCO1 1458a_100000764163_100000210303 [0,0,0,1,0,0|2,0,1]=4 5304 B11R1.16 CCCC(=O)C1=COCCC1 1458a_100000749935_100000210303 [0,0,0,1,0,0|2,0,1]=4 5305 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [0,0,0,1,0,0|1,0,2]=4 5306 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,0,0,1,0,0|1,0,0]=2 5307 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,0,0,1,0,0|1,0,0]=2 5308 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [0,0,0,1,0,0|2,0,0]=3 5309 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000211992_100000693364 [0,0,0,1,0,0|2,0,0]=3 5310 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000741522_100000210303 [0,0,0,1,0,0|2,0,0]=3 5311 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [0,0,0,1,0,0|2,0,0]=3 5312 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [0,0,0,1,0,0|2,0,0]=3 5313 B11R1.16 CCCC(=O)C1CCSCC1 1458a_100000755232_100000210303 [0,0,0,1,0,0|2,0,0]=3 5314 B11R1.16 CCCC(=O)C1COCCO1 1458a_100000045528_100000210303 [0,0,0,1,0,0|3,0,0]=4 5315 B11R1.16 CCCC(=O)C1SCCCS1 1458a_100000028545_100000210303 [0,0,0,1,0,0|3,0,0]=4 5316 B11R1.16 CCCC(=O)N1CC=CCC1 11a_100000698166_100000211992 [0,0,0,1,0,0|1,0,2]=4 5317 B11R1.16 CCCC(=O)N1CC=CCC1 1626a_100000698166_100000211992 [0,0,0,1,0,0|1,0,2]=4 5318 B11R1.16 CCCC(=O)N1CC=CCC1 240690a_100000698166_100000211992 [0,0,0,1,0,0|1,0,2]=4 5319 B11R1.16 CCCC(=O)N1CC=CCC1 527a_100000698166_100000211992 [0,0,0,1,0,0|1,0,2]=4 5320 B11R1.16 CCCC(=O)N1CCCOC1 11a_100000131196_100000211992 [0,0,0,1,0,0|2,0,0]=3 5321 B11R1.16 CCCC(=O)N1CCCOC1 240690a_100000131196_100000211992 [0,0,0,1,0,0|2,0,0]=3 5322 B11R1.16 CCCC(=O)N1CCOCC1 11a_100015191051_100000211992 [0,0,0,1,0,0|2,0,0]=3 5323 B11R1.16 CCCC(=O)N1CCOCC1 1626a_100015191051_100000211992 [0,0,0,1,0,0|2,0,0]=3 5324 B11R1.16 CCCC(=O)N1CCOCC1 240690a_100015191051_100000211992 [0,0,0,1,0,0|2,0,0]=3 5325 B11R1.16 CCCC(=O)N1CCOCC1 527a_100015191051_100000211992 [0,0,0,1,0,0|2,0,0]=3 5326 B11R1.16 CCCC(=O)N1CCSCC1 11a_100000737611_100000211992 [0,0,0,1,0,0|2,0,0]=3 5327 B11R1.16 CCCC(=O)N1CCSCC1 240690a_100000737611_100000211992 [0,0,0,1,0,0|2,0,0]=3 5328 B11R1.16 CCCC(=O)N1CCSCC1 527a_100000737611_100000211992 [0,0,0,1,0,0|2,0,0]=3 5329 B11R1.16 CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210303 [0,0,0,1,0,0|1,0,2]=4 5330 B11R1.16 CCCN(C)C1CCCCC1 2230a_100000207522_100000210303 [0,0,0,1,0,0|3,0,0]=4 5331 B11R1.16 CCCN(C)C1CCCCC1 2230a_100000750343_200000210301 [0,0,0,1,0,0|3,0,0]=4 5332 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000207522_100000210303 [0,0,0,1,0,0|3,0,0]=4 5333 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000747261_100000210327 [0,0,0,1,0,0|3,0,0]=4 5334 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000750343_200000210301 [0,0,0,1,0,0|3,0,0]=4 5335 B11R1.16 CCCN(C)C1CCCCC1 270004a_100000747261_100000210434 [0,0,0,1,0,0|3,0,0]=4 5336 B11R1.16 CCCN(C)C1CCCCC1 34a_100000207522_100000210303 [0,0,0,1,0,0|3,0,0]=4 5337 B11R1.16 CCCN(C)C1CCCCC1 34a_100000750343_200000210301 [0,0,0,1,0,0|3,0,0]=4 5338 B11R1.16 CCCN([13CH3])C1CCCCC1 2230a_100000750343_200025704644 [0,0,0,1,0,0|3,0,0]=4 5339 B11R1.16 CCCN([13CH3])C1CCCCC1 269982a_100000750343_200025704644 [0,0,0,1,0,0|3,0,0]=4 5340 B11R1.16 CCCN([13CH3])C1CCCCC1 34a_100000750343_200025704644 [0,0,0,1,0,0|3,0,0]=4 5341 B11R1.16 CCNC(=O)C1=CCCCC1 11a_100015525214_100000765259 [0,0,0,1,0,0|2,0,1]=4 5342 B11R1.16 CCNC(=O)C1=CCCCC1 240690a_100015525214_100000765259 [0,0,0,1,0,0|2,0,1]=4 5343 B11R1.16 CCNC(=O)C1=CCCCC1 527a_100015525214_100000765259 [0,0,0,1,0,0|2,0,1]=4 5344 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [0,0,0,1,0,0|2,0,0]=3 5345 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [0,0,0,1,0,0|2,0,0]=3 5346 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [0,0,0,1,0,0|2,0,0]=3 5347 B11R1.16 CCNC(=O)C1CCCCO1 11a_100015525214_100000748299 [0,0,0,1,0,0|3,0,0]=4 5348 B11R1.16 CCNC(=O)C1CCCCO1 240690a_100015525214_100000748299 [0,0,0,1,0,0|3,0,0]=4 5349 B11R1.16 CCNC(=O)C1CCCCO1 527a_100015525214_100000748299 [0,0,0,1,0,0|3,0,0]=4 5350 B11R1.16 CCNC(=O)C1CCCOC1 11a_100015525214_100000741522 [0,0,0,1,0,0|3,0,0]=4 5351 B11R1.16 CCNC(=O)C1CCCOC1 240690a_100015525214_100000741522 [0,0,0,1,0,0|3,0,0]=4 5352 B11R1.16 CCNC(=O)C1CCCOC1 527a_100015525214_100000741522 [0,0,0,1,0,0|3,0,0]=4 5353 B11R1.16 CCNC(=O)C1CCOCC1 11a_100015525214_100000195482 [0,0,0,1,0,0|3,0,0]=4 5354 B11R1.16 CCNC(=O)C1CCOCC1 240690a_100015525214_100000195482 [0,0,0,1,0,0|3,0,0]=4 5355 B11R1.16 CCNC(=O)C1CCOCC1 527a_100015525214_100000195482 [0,0,0,1,0,0|3,0,0]=4 5356 B11R1.16 CCNC(=O)C1CCSCC1 11a_100015525214_100000755232 [0,0,0,1,0,0|3,0,0]=4 5357 B11R1.16 CCNC(=O)C1CCSCC1 240690a_100015525214_100000755232 [0,0,0,1,0,0|3,0,0]=4 5358 B11R1.16 CCNC(=O)C1CCSCC1 527a_100015525214_100000755232 [0,0,0,1,0,0|3,0,0]=4 5359 B11R1.16 CCNC(=O)N1CCCOC1 2708a_100015525214_100000131196 [0,0,0,1,0,0|3,0,0]=4 5360 B11R1.16 CCNC(=O)N1CCCOC1 273464a_100015525214_100000131196 [0,0,0,1,0,0|3,0,0]=4 5361 B11R1.16 CCNC(=O)N1CCOCC1 2708a_100015525214_100015191051 [0,0,0,1,0,0|3,0,0]=4 5362 B11R1.16 CCNC(=O)N1CCOCC1 273464a_100015525214_100015191051 [0,0,0,1,0,0|3,0,0]=4 5363 B11R1.16 CCNC(=O)N1CCSCC1 2708a_100015525214_100000737611 [0,0,0,1,0,0|3,0,0]=4 5364 B11R1.16 CCNC(=O)N1CCSCC1 273464a_100015525214_100000737611 [0,0,0,1,0,0|3,0,0]=4 5365 B11R1.16 CNCC(=O)C1CCCCC1 2230a_106832991635_100000241979 [0,0,0,1,0,0|2,0,0]=3 5366 B11R1.16 CNCC(=O)C1CCCCC1 34a_100102657272_100000241979 [0,0,0,1,0,0|2,0,0]=3 5367 B11R1.16 CNCC(=O)C1CCCCC1 7a_106832991635_100000241979 [0,0,0,1,0,0|2,0,0]=3 5368 B11R1.16 CNCC(=O)C1CCOCC1 2230a_106832991635_100000689883 [0,0,0,1,0,0|3,0,0]=4 5369 B11R1.16 CNCC(=O)C1CCOCC1 34a_100102657272_100000689883 [0,0,0,1,0,0|3,0,0]=4 5370 B11R1.16 CNCC(=O)C1CCOCC1 7a_106832991635_100000689883 [0,0,0,1,0,0|3,0,0]=4 5371 B11R1.16 CNCC(=O)N1CCCCC1 2230a_100000751303_200000210301 [0,0,0,1,0,0|2,0,0]=3 5372 B11R1.16 CNCC(=O)N1CCCCC1 2230a_106832991635_100000183409 [0,0,0,1,0,0|2,0,0]=3 5373 B11R1.16 CNCC(=O)N1CCCCC1 34a_100102657272_100000183409 [0,0,0,1,0,0|2,0,0]=3 5374 B11R1.16 CNCC(=O)N1CCCCC1 7a_106832991635_100000183409 [0,0,0,1,0,0|2,0,0]=3 5375 B11R1.16 CNCC(=O)N1CCOCC1 2230a_100000697423_200000210301 [0,0,0,1,0,0|3,0,0]=4 5376 B11R1.16 CNCC(=O)N1CCOCC1 2230a_106832991635_100000183410 [0,0,0,1,0,0|3,0,0]=4 5377 B11R1.16 CNCC(=O)N1CCOCC1 34a_100102657272_100000183410 [0,0,0,1,0,0|3,0,0]=4 5378 B11R1.16 CNCC(=O)N1CCOCC1 7a_106832991635_100000183410 [0,0,0,1,0,0|3,0,0]=4 5379 B11R1.16 CNNC(=O)C1CCCCC1 22a_100016993582_100000210647 [0,0,0,1,0,0|3,0,0]=4 5380 B11R1.16 COCC(=O)C1CCCCC1 1458a_100000210968_100000210327 [0,0,0,1,0,0|2,0,0]=3 5381 B11R1.16 COCC(=O)C1CCCCC1 34a_100138415774_100000241979 [0,0,0,1,0,0|2,0,0]=3 5382 B11R1.16 COCC(=O)C1CCCOC1 1458a_100000210968_100000693364 [0,0,0,1,0,0|3,0,0]=4 5383 B11R1.16 COCC(=O)C1CCOCC1 1458a_100000210968_100011324220 [0,0,0,1,0,0|3,0,0]=4 5384 B11R1.16 COCC(=O)C1CCOCC1 34a_100138415774_100000689883 [0,0,0,1,0,0|3,0,0]=4 5385 B11R1.16 COCC(=O)N1CCCCC1 34a_100138415774_100000183409 [0,0,0,1,0,0|2,0,0]=3 5386 B11R1.16 COCC(=O)N1CCCCC1 7a_100011315646_200000210301 [0,0,0,1,0,0|2,0,0]=3 5387 B11R1.16 COCC(=O)N1CCCOC1 11a_100000131196_100000210968 [0,0,0,1,0,0|3,0,0]=4 5388 B11R1.16 COCC(=O)N1CCCOC1 240690a_100000131196_100000210968 [0,0,0,1,0,0|3,0,0]=4 5389 B11R1.16 COCC(=O)N1CCOCC1 11a_100015191051_100000210968 [0,0,0,1,0,0|3,0,0]=4 5390 B11R1.16 COCC(=O)N1CCOCC1 1626a_100015191051_100000210968 [0,0,0,1,0,0|3,0,0]=4 5391 B11R1.16 COCC(=O)N1CCOCC1 240690a_100015191051_100000210968 [0,0,0,1,0,0|3,0,0]=4 5392 B11R1.16 COCC(=O)N1CCOCC1 34a_100138415774_100000183410 [0,0,0,1,0,0|3,0,0]=4 5393 B11R1.16 COCC(=O)N1CCOCC1 527a_100015191051_100000210968 [0,0,0,1,0,0|3,0,0]=4 5394 B11R1.16 COCC(=O)N1CCOCC1 7a_100000752472_200000210301 [0,0,0,1,0,0|3,0,0]=4 5395 B11R1.16 COCC(=O)N1CCSCC1 11a_100000737611_100000210968 [0,0,0,1,0,0|3,0,0]=4 5396 B11R1.16 COCC(=O)N1CCSCC1 240690a_100000737611_100000210968 [0,0,0,1,0,0|3,0,0]=4 5397 B11R1.16 COCC(=O)N1CCSCC1 527a_100000737611_100000210968 [0,0,0,1,0,0|3,0,0]=4 5398 B11R1.16 CSCC(=O)C1CCCCC1 1458a_100000184570_100000210327 [0,0,0,1,0,0|2,0,0]=3 5399 B11R1.16 CSCC(=O)C1CCCCC1 62a_100000241979_200000210301 [0,0,0,1,0,0|2,0,0]=3 5400 B11R1.16 CSCC(=O)C1CCCCC1 62a_200000210301_100000241979 [0,0,0,1,0,0|2,0,0]=3 5401 B11R1.16 CSCC(=O)C1CCCOC1 1458a_100000184570_100000693364 [0,0,0,1,0,0|3,0,0]=4 5402 B11R1.16 CSCC(=O)C1CCOCC1 1458a_100000184570_100011324220 [0,0,0,1,0,0|3,0,0]=4 5403 B11R1.16 CSCC(=O)C1CCOCC1 62a_100000689883_200000210301 [0,0,0,1,0,0|3,0,0]=4 5404 B11R1.16 CSCC(=O)C1CCOCC1 62a_200000210301_100000689883 [0,0,0,1,0,0|3,0,0]=4 5405 B11R1.16 CSCC(=O)N1CCCCC1 62a_100000183409_200000210301 [0,0,0,1,0,0|2,0,0]=3 5406 B11R1.16 CSCC(=O)N1CCCCC1 62a_200000210301_100000183409 [0,0,0,1,0,0|2,0,0]=3 5407 B11R1.16 CSCC(=O)N1CCCOC1 11a_100000131196_100000184570 [0,0,0,1,0,0|3,0,0]=4 5408 B11R1.16 CSCC(=O)N1CCCOC1 240690a_100000131196_100000184570 [0,0,0,1,0,0|3,0,0]=4 5409 B11R1.16 CSCC(=O)N1CCOCC1 11a_100015191051_100000184570 [0,0,0,1,0,0|3,0,0]=4 5410 B11R1.16 CSCC(=O)N1CCOCC1 1626a_100015191051_100000184570 [0,0,0,1,0,0|3,0,0]=4 5411 B11R1.16 CSCC(=O)N1CCOCC1 240690a_100015191051_100000184570 [0,0,0,1,0,0|3,0,0]=4 5412 B11R1.16 CSCC(=O)N1CCOCC1 527a_100015191051_100000184570 [0,0,0,1,0,0|3,0,0]=4 5413 B11R1.16 CSCC(=O)N1CCOCC1 62a_100000183410_200000210301 [0,0,0,1,0,0|3,0,0]=4 5414 B11R1.16 CSCC(=O)N1CCOCC1 62a_200000210301_100000183410 [0,0,0,1,0,0|3,0,0]=4 5415 B11R1.16 CSCC(=O)N1CCSCC1 11a_100000737611_100000184570 [0,0,0,1,0,0|3,0,0]=4 5416 B11R1.16 CSCC(=O)N1CCSCC1 240690a_100000737611_100000184570 [0,0,0,1,0,0|3,0,0]=4 5417 B11R1.16 CSCC(=O)N1CCSCC1 527a_100000737611_100000184570 [0,0,0,1,0,0|3,0,0]=4 5418 B11R1.16 N#CCC(=O)C1CCCCC1 1458a_100000210647_100011214920 [0,0,0,1,0,0|2,0,1]=4 5419 B11R1.16 N#CCC(=O)C1CCCCC1 1458a_100051588842_100000210327 [0,0,0,1,0,0|2,0,1]=4 5420 B11R1.16 O=C(CCF)C1=CCCCC1 1458a_100000765259_100011217306 [0,0,0,1,0,0|2,0,1]=4 5421 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [0,0,0,1,0,0|2,0,0]=3 5422 B11R1.16 O=C(CCF)C1CCCCO1 1458a_100000748299_100011217306 [0,0,0,1,0,0|3,0,0]=4 5423 B11R1.16 O=C(CCF)C1CCCOC1 1458a_100000741522_100011217306 [0,0,0,1,0,0|3,0,0]=4 5424 B11R1.16 O=C(CCF)C1CCOCC1 1458a_100000195482_100011217306 [0,0,0,1,0,0|3,0,0]=4 5425 B11R1.16 O=C(CCF)C1CCSCC1 1458a_100000755232_100011217306 [0,0,0,1,0,0|3,0,0]=4 5426 B11R1.16 O=C(CCO)C1=CCCCC1 1458a_100000765259_100000211926 [0,0,0,1,0,0|2,0,1]=4 5427 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [0,0,0,1,0,0|2,0,0]=3 5428 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [0,0,0,1,0,0|2,0,0]=3 5429 B11R1.16 O=C(CCO)C1CCCCO1 1458a_100000748299_100000211926 [0,0,0,1,0,0|3,0,0]=4 5430 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100000741522_100000211926 [0,0,0,1,0,0|3,0,0]=4 5431 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100011216618_100000693364 [0,0,0,1,0,0|3,0,0]=4 5432 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100000195482_100000211926 [0,0,0,1,0,0|3,0,0]=4 5433 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100011216618_100011324220 [0,0,0,1,0,0|3,0,0]=4 5434 B11R1.16 O=C(CCO)C1CCSCC1 1458a_100000755232_100000211926 [0,0,0,1,0,0|3,0,0]=4 5435 B11R1.16 O=C(CCO)N1CCCOC1 240690a_100000131196_100011216618 [0,0,0,1,0,0|3,0,0]=4 5436 B11R1.16 O=C(CCO)N1CCOCC1 240690a_100015191051_100011216618 [0,0,0,1,0,0|3,0,0]=4 5437 B11R1.16 O=C(CCO)N1CCSCC1 240690a_100000737611_100011216618 [0,0,0,1,0,0|3,0,0]=4 5438 B11R1.16 [13CH3]NCC(=O)N1CCCCC1 2230a_100000751303_200025704644 [0,0,0,1,0,0|2,0,0]=3 5439 B11R1.16 [13CH3]NCC(=O)N1CCOCC1 2230a_100000697423_200025704644 [0,0,0,1,0,0|3,0,0]=4 5440 B11R1.16 [13CH3]OCC(=O)N1CCCCC1 7a_100011315646_200025704644 [0,0,0,1,0,0|2,0,0]=3 5441 B11R1.16 [13CH3]OCC(=O)N1CCOCC1 7a_100000752472_200025704644 [0,0,0,1,0,0|3,0,0]=4 5442 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_100000241979_200025704644 [0,0,0,1,0,0|2,0,0]=3 5443 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_200025704644_100000241979 [0,0,0,1,0,0|2,0,0]=3 5444 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_100000689883_200025704644 [0,0,0,1,0,0|3,0,0]=4 5445 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_200025704644_100000689883 [0,0,0,1,0,0|3,0,0]=4 5446 B11R1.16 [13CH3]SCC(=O)N1CCCCC1 62a_100000183409_200025704644 [0,0,0,1,0,0|2,0,0]=3 5447 B11R1.16 [13CH3]SCC(=O)N1CCCCC1 62a_200025704644_100000183409 [0,0,0,1,0,0|2,0,0]=3 5448 B11R1.16 [13CH3]SCC(=O)N1CCOCC1 62a_100000183410_200025704644 [0,0,0,1,0,0|3,0,0]=4 5449 B11R1.16 [13CH3]SCC(=O)N1CCOCC1 62a_200025704644_100000183410 [0,0,0,1,0,0|3,0,0]=4 5450 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [0,0,0,1,0,0|3,0,0]=4 5451 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,0,0,1,0,0|3,0,0]=4 5452 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [0,0,0,1,0,0|3,0,0]=4 5453 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [0,0,0,1,0,0|3,0,0]=4 5454 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [0,0,0,1,0,0|3,0,0]=4 5455 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,0,0,1,0,0|2,0,0]=3 5456 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [0,0,0,1,0,0|3,0,0]=4 5457 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,0,0,1,0,0|2,0,0]=3 5458 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [0,0,0,1,0,0|3,0,0]=4 5459 B11R1.24 CCOCC1COCC(=O)N1 34a_200000101122_100000210202 [0,0,0,1,0,0|3,0,0]=4 5460 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [0,0,0,1,0,0|3,0,0]=4 5461 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [0,0,0,1,0,0|3,0,0]=4 5462 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,0,0,1,0,0|3,0,0]=4 5463 B11R1.24 O=C1CCCC(N1)COCF 34a_200000102386_100015361967 [0,0,0,1,0,0|3,0,0]=4 5464 B11R1.30 C#CCC(=O)CC1CCCC1 1458a_100000210891_100000184674 [0,0,0,1,0,0|1,0,2]=4 5465 B11R1.30 C#CCC(=O)CC1CCCC1 1458a_100011220946_100000740388 [0,0,0,1,0,0|1,0,2]=4 5466 B11R1.30 C#CCC(=O)NC1CCCC1 1626a_100000211070_100011220946 [0,0,0,1,0,0|1,0,2]=4 5467 B11R1.30 C#CCC(=O)NC1CCCC1 527a_100000211070_100011220946 [0,0,0,1,0,0|1,0,2]=4 5468 B11R1.30 C=CCC(=O)CC1CCCC1 1458a_100000210193_100000740388 [0,0,0,1,0,0|1,0,2]=4 5469 B11R1.30 C=CCC(=O)CC1CCCC1 1458a_100000210891_100000210623 [0,0,0,1,0,0|1,0,2]=4 5470 B11R1.30 C=CCC(=O)NC1CCCC1 11a_100000211070_100000210193 [0,0,0,1,0,0|1,0,2]=4 5471 B11R1.30 C=CCC(=O)NC1CCCC1 1626a_100000211070_100000210193 [0,0,0,1,0,0|1,0,2]=4 5472 B11R1.30 C=CCC(=O)NC1CCCC1 240690a_100000211070_100000210193 [0,0,0,1,0,0|1,0,2]=4 5473 B11R1.30 C=CCC(=O)NC1CCCC1 527a_100000211070_100000210193 [0,0,0,1,0,0|1,0,2]=4 5474 B11R1.30 CC#CC(=O)CC1CCCC1 1458a_100000763181_100000740388 [0,0,0,1,0,0|1,0,2]=4 5475 B11R1.30 CC(CCBr)OC1CCCC1 34a_100012276601_100000179811 [0,0,0,1,0,0|2,0,1]=4 5476 B11R1.30 CC(CCO)OC1CCCC1 34a_100000210269_100009893172 [0,0,0,1,0,0|2,0,1]=4 5477 B11R1.30 CC(CCO)OC1CCCC1 7a_100000210269_100009893172 [0,0,0,1,0,0|2,0,1]=4 5478 B11R1.30 CC=CC(=O)CC1CCCC1 1458a_100000210699_100000740388 [0,0,0,1,0,0|1,0,2]=4 5479 B11R1.30 CC=CC(=O)NC1CCCC1 11a_100000211070_100000210699 [0,0,0,1,0,0|1,0,2]=4 5480 B11R1.30 CC=CC(=O)NC1CCCC1 1626a_100000211070_100000210699 [0,0,0,1,0,0|1,0,2]=4 5481 B11R1.30 CC=CC(=O)NC1CCCC1 240690a_100000211070_100000210699 [0,0,0,1,0,0|1,0,2]=4 5482 B11R1.30 CCCC(=O)C=C1CCCC1 1458a_100000743260_100000210303 [0,0,0,1,0,0|1,0,1]=3 5483 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,0,0,1,0,0|1,0,2]=4 5484 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [0,0,0,1,0,0|1,0,2]=4 5485 B11R1.30 CCCC(=O)CC1CC=CC1 1458a_200000137526_100000210303 [0,0,0,1,0,0|1,0,2]=4 5486 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,0,0,1,0,0|1,0,0]=2 5487 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,0,0,1,0,0|1,0,0]=2 5488 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,0,0,1,0,0|2,0,0]=3 5489 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100000211992_100000702531 [0,0,0,1,0,0|2,0,0]=3 5490 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100011218419_100000210303 [0,0,0,1,0,0|2,0,0]=3 5491 B11R1.30 CCCC(=O)CC1OCCO1 1458a_100000211992_100000755774 [0,0,0,1,0,0|3,0,0]=4 5492 B11R1.30 CCCC(=O)CN1CCCC1 1458a_100000740243_100000210303 [0,0,0,1,0,0|2,0,0]=3 5493 B11R1.30 CCCC(=O)CN1CCCC1 2230a_100000188435_100000747444 [0,0,0,1,0,0|2,0,0]=3 5494 B11R1.30 CCCC(=O)CN1CCCC1 269982a_100000188435_100000747444 [0,0,0,1,0,0|2,0,0]=3 5495 B11R1.30 CCCC(=O)CN1CCSC1 2230a_100011215254_100000747444 [0,0,0,1,0,0|3,0,0]=4 5496 B11R1.30 CCCC(=O)CN1CCSC1 269982a_100011215254_100000747444 [0,0,0,1,0,0|3,0,0]=4 5497 B11R1.30 CCCC(=O)NC1CC=CC1 11a_100015188752_100000211992 [0,0,0,1,0,0|1,0,2]=4 5498 B11R1.30 CCCC(=O)NC1CC=CC1 1626a_100015188752_100000211992 [0,0,0,1,0,0|1,0,2]=4 5499 B11R1.30 CCCC(=O)NC1CC=CC1 240690a_100015188752_100000211992 [0,0,0,1,0,0|1,0,2]=4 5500 B11R1.30 CCCC(=O)NC1CC=CC1 527a_100015188752_100000211992 [0,0,0,1,0,0|1,0,2]=4 5501 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [0,0,0,1,0,0|1,0,0]=2 5502 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [0,0,0,1,0,0|1,0,0]=2 5503 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [0,0,0,1,0,0|1,0,0]=2 5504 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [0,0,0,1,0,0|1,0,0]=2 5505 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000211992 [0,0,0,1,0,0|2,0,0]=3 5506 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000211992 [0,0,0,1,0,0|2,0,0]=3 5507 B11R1.30 CCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000211992 [0,0,0,1,0,0|2,0,0]=3 5508 B11R1.30 CCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000211992 [0,0,0,1,0,0|2,0,0]=3 5509 B11R1.30 CCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000211992 [0,0,0,1,0,0|2,0,0]=3 5510 B11R1.30 CCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000211992 [0,0,0,1,0,0|2,0,0]=3 5511 B11R1.30 CCCC(C)NC1CCCC1 2230a_100000211070_100000766640 [0,0,0,1,0,0|2,0,1]=4 5512 B11R1.30 CCCC(C)NC1CCCC1 2230a_100000741246_100000179811 [0,0,0,1,0,0|2,0,1]=4 5513 B11R1.30 CCCC(C)NC1CCCC1 270004a_100000211070_100000211909 [0,0,0,1,0,0|2,0,1]=4 5514 B11R1.30 CCCC(C)NC1CCCC1 270004a_100000741246_100000210133 [0,0,0,1,0,0|2,0,1]=4 5515 B11R1.30 CCCC(C)NC1CCCC1 34a_100000211070_100000766640 [0,0,0,1,0,0|2,0,1]=4 5516 B11R1.30 CCCC(C)OC1CCCC1 34a_100000210269_100000766640 [0,0,0,1,0,0|1,0,1]=3 5517 B11R1.30 CCCC(C)OC1CCCC1 34a_100000764384_100000179811 [0,0,0,1,0,0|1,0,1]=3 5518 B11R1.30 CCCC(C)OC1CCCC1 7a_100000210269_100000766640 [0,0,0,1,0,0|1,0,1]=3 5519 B11R1.30 CCCC(C)OC1CCCC1 7a_100000764384_100000179811 [0,0,0,1,0,0|1,0,1]=3 5520 B11R1.30 CCCC(C)OC1CCCO1 34a_100000085407_100000766640 [0,0,0,1,0,0|2,0,1]=4 5521 B11R1.30 CCCC(C)OC1CCOC1 34a_100000764384_100000690089 [0,0,0,1,0,0|2,0,1]=4 5522 B11R1.30 CCCC(C)OC1CCOC1 7a_100000764384_100000731011 [0,0,0,1,0,0|2,0,1]=4 5523 B11R1.30 CCCC(C)OC1CCSC1 7a_100011232664_100000766640 [0,0,0,1,0,0|2,0,1]=4 5524 B11R1.30 CCCC(C)O[C@H]1CCOC1 34a_100000717292_100000766640 [0,0,0,1,0,0|2,0,1]=4 5525 B11R1.30 CCCC(C)SC1CCCC1 62a_100000766640_100000179811 [0,0,0,1,0,0|1,1,1]=4 5526 B11R1.30 CCCC(C)SC1CCCC1 62a_100011217020_100000766640 [0,0,0,1,0,0|1,1,1]=4 5527 B11R1.30 CCCN(C)CC1CCCC1 2230a_100000747261_100000740388 [0,0,0,1,0,0|3,0,0]=4 5528 B11R1.30 CCCN(C)CC1CCCC1 269982a_100000747261_100000740388 [0,0,0,1,0,0|3,0,0]=4 5529 B11R1.30 CCNC(=O)C=C1CCCC1 11a_100015525214_100000743260 [0,0,0,1,0,0|2,0,1]=4 5530 B11R1.30 CCNC(=O)C=C1CCCC1 240690a_100015525214_100000743260 [0,0,0,1,0,0|2,0,1]=4 5531 B11R1.30 CCNC(=O)C=C1CCCC1 527a_100015525214_100000743260 [0,0,0,1,0,0|2,0,1]=4 5532 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [0,0,0,1,0,0|2,0,0]=3 5533 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [0,0,0,1,0,0|2,0,0]=3 5534 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [0,0,0,1,0,0|2,0,0]=3 5535 B11R1.30 CCNC(=O)CC1CCOC1 11a_100015525214_100011218419 [0,0,0,1,0,0|3,0,0]=4 5536 B11R1.30 CCNC(=O)CC1CCOC1 240690a_100015525214_100011218419 [0,0,0,1,0,0|3,0,0]=4 5537 B11R1.30 CCNC(=O)CC1CCOC1 527a_100015525214_100011218419 [0,0,0,1,0,0|3,0,0]=4 5538 B11R1.30 CCNC(=O)CN1CCCC1 2230a_100000188435_100000183381 [0,0,0,1,0,0|3,0,0]=4 5539 B11R1.30 CCNC(=O)CN1CCCC1 240690a_100015525214_100000740243 [0,0,0,1,0,0|3,0,0]=4 5540 B11R1.30 CCNC(=O)CN1CCCC1 269982a_100000188435_100000183381 [0,0,0,1,0,0|3,0,0]=4 5541 B11R1.30 CCNC(=O)CN1CCCC1 527a_100015525214_100000740243 [0,0,0,1,0,0|3,0,0]=4 5542 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100000211070_100015525214 [0,0,0,1,0,0|2,0,0]=3 5543 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100015525214_100000211070 [0,0,0,1,0,0|2,0,0]=3 5544 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100000211070_100015525214 [0,0,0,1,0,0|2,0,0]=3 5545 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100015525214_100000211070 [0,0,0,1,0,0|2,0,0]=3 5546 B11R1.30 CCNC(=O)NC1CCCC1 512a_100000211070_100015525214 [0,0,0,1,0,0|2,0,0]=3 5547 B11R1.30 CCNC(=O)NC1CCCC1 512a_100015525214_100000211070 [0,0,0,1,0,0|2,0,0]=3 5548 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 2708a_100015525214_200015188469 [0,0,0,1,0,0|3,0,0]=4 5549 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100015525214 [0,0,0,1,0,0|3,0,0]=4 5550 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 273464a_100015525214_200015188469 [0,0,0,1,0,0|3,0,0]=4 5551 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100015525214 [0,0,0,1,0,0|3,0,0]=4 5552 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 512a_100015525214_200015188469 [0,0,0,1,0,0|3,0,0]=4 5553 B11R1.30 CCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100015525214 [0,0,0,1,0,0|3,0,0]=4 5554 B11R1.30 CCNC(=O)N[C@H]1CCOC1 2708a_100015525214_100015188467 [0,0,0,1,0,0|3,0,0]=4 5555 B11R1.30 CCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100015525214 [0,0,0,1,0,0|3,0,0]=4 5556 B11R1.30 CCNC(=O)N[C@H]1CCOC1 273464a_100015525214_100015188467 [0,0,0,1,0,0|3,0,0]=4 5557 B11R1.30 CCNC(=O)N[C@H]1CCOC1 512a_100015188467_100015525214 [0,0,0,1,0,0|3,0,0]=4 5558 B11R1.30 CCNC(=O)N[C@H]1CCOC1 512a_100015525214_100015188467 [0,0,0,1,0,0|3,0,0]=4 5559 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [0,0,0,1,0,0|3,0,0]=4 5560 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [0,0,0,1,0,0|3,0,0]=4 5561 B11R1.30 CNCC(=O)NC1CCCC1 2230a_100000747513_200000210301 [0,0,0,1,0,0|2,0,0]=3 5562 B11R1.30 CNCC(=O)NC1CCCC1 2230a_106832991635_100000183512 [0,0,0,1,0,0|2,0,0]=3 5563 B11R1.30 CNCC(=O)NC1CCCC1 34a_100102657272_100000183512 [0,0,0,1,0,0|2,0,0]=3 5564 B11R1.30 CNCC(=O)NC1CCCC1 7a_106832991635_100000183512 [0,0,0,1,0,0|2,0,0]=3 5565 B11R1.30 CNNC(=O)CC1CCCC1 22a_100016993582_100000210891 [0,0,0,1,0,0|3,0,0]=4 5566 B11R1.30 CNNC(=O)NC1CCCC1 273464a_100000211070_100016993582 [0,0,0,1,0,0|3,0,0]=4 5567 B11R1.30 CNNC(=O)NC1CCCC1 512a_100000211070_100016993582 [0,0,0,1,0,0|3,0,0]=4 5568 B11R1.30 CNNC(=O)NC1CCCC1 512a_100016993582_100000211070 [0,0,0,1,0,0|3,0,0]=4 5569 B11R1.30 COCC(=O)CC1CCCC1 1458a_100000210968_100000740388 [0,0,0,1,0,0|2,0,0]=3 5570 B11R1.30 COCC(=O)CC1CCCO1 1458a_100000210968_100000203698 [0,0,0,1,0,0|3,0,0]=4 5571 B11R1.30 COCC(=O)CC1CCOC1 1458a_100000210968_100000702531 [0,0,0,1,0,0|3,0,0]=4 5572 B11R1.30 COCC(=O)NC1CCCC1 11a_100000211070_100000210968 [0,0,0,1,0,0|2,0,0]=3 5573 B11R1.30 COCC(=O)NC1CCCC1 1626a_100000211070_100000210968 [0,0,0,1,0,0|2,0,0]=3 5574 B11R1.30 COCC(=O)NC1CCCC1 240690a_100000211070_100000210968 [0,0,0,1,0,0|2,0,0]=3 5575 B11R1.30 COCC(=O)NC1CCCC1 34a_100138415774_100000183512 [0,0,0,1,0,0|2,0,0]=3 5576 B11R1.30 COCC(=O)NC1CCCC1 527a_100000211070_100000210968 [0,0,0,1,0,0|2,0,0]=3 5577 B11R1.30 COCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210968 [0,0,0,1,0,0|3,0,0]=4 5578 B11R1.30 COCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210968 [0,0,0,1,0,0|3,0,0]=4 5579 B11R1.30 COCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210968 [0,0,0,1,0,0|3,0,0]=4 5580 B11R1.30 COCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210968 [0,0,0,1,0,0|3,0,0]=4 5581 B11R1.30 COCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210968 [0,0,0,1,0,0|3,0,0]=4 5582 B11R1.30 COCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210968 [0,0,0,1,0,0|3,0,0]=4 5583 B11R1.30 COCC(C)OC1CCCC1 34a_100000210269_100000765312 [0,0,0,1,0,0|2,0,1]=4 5584 B11R1.30 COCC(C)OC1CCCC1 7a_100000210269_100000765312 [0,0,0,1,0,0|2,0,1]=4 5585 B11R1.30 COC[C@@H](C)OC1CCCC1 34a_100011934205_100000179811 [0,0,0,1,0,0|2,0,1]=4 5586 B11R1.30 CSCC(=O)CC1CCCC1 1458a_100000184570_100000740388 [0,0,0,1,0,0|2,0,0]=3 5587 B11R1.30 CSCC(=O)CC1CCCO1 1458a_100000184570_100000203698 [0,0,0,1,0,0|3,0,0]=4 5588 B11R1.30 CSCC(=O)CC1CCOC1 1458a_100000184570_100000702531 [0,0,0,1,0,0|3,0,0]=4 5589 B11R1.30 CSCC(=O)NC1CCCC1 11a_100000211070_100000184570 [0,0,0,1,0,0|2,0,0]=3 5590 B11R1.30 CSCC(=O)NC1CCCC1 1626a_100000211070_100000184570 [0,0,0,1,0,0|2,0,0]=3 5591 B11R1.30 CSCC(=O)NC1CCCC1 240690a_100000211070_100000184570 [0,0,0,1,0,0|2,0,0]=3 5592 B11R1.30 CSCC(=O)NC1CCCC1 527a_100000211070_100000184570 [0,0,0,1,0,0|2,0,0]=3 5593 B11R1.30 CSCC(=O)NC1CCCC1 62a_100000183512_200000210301 [0,0,0,1,0,0|2,0,0]=3 5594 B11R1.30 CSCC(=O)NC1CCCC1 62a_200000210301_100000183512 [0,0,0,1,0,0|2,0,0]=3 5595 B11R1.30 CSCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000184570 [0,0,0,1,0,0|3,0,0]=4 5596 B11R1.30 CSCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000184570 [0,0,0,1,0,0|3,0,0]=4 5597 B11R1.30 CSCC(=O)N[C@H]1CCOC1 11a_100015188467_100000184570 [0,0,0,1,0,0|3,0,0]=4 5598 B11R1.30 CSCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000184570 [0,0,0,1,0,0|3,0,0]=4 5599 B11R1.30 CSCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000184570 [0,0,0,1,0,0|3,0,0]=4 5600 B11R1.30 CSCC(=O)N[C@H]1CCOC1 527a_100015188467_100000184570 [0,0,0,1,0,0|3,0,0]=4 5601 B11R1.30 N#CCC(=O)CC1CCCC1 1458a_100000210891_100011214920 [0,0,0,1,0,0|2,0,1]=4 5602 B11R1.30 N#CCC(=O)CC1CCCC1 1458a_100051588842_100000740388 [0,0,0,1,0,0|2,0,1]=4 5603 B11R1.30 N#CCC(=O)NC1CCCC1 1626a_100000211070_100051588842 [0,0,0,1,0,0|2,0,1]=4 5604 B11R1.30 N#CCC(=O)NC1CCCC1 240690a_100000211070_100051588842 [0,0,0,1,0,0|2,0,1]=4 5605 B11R1.30 O=C(C=C1CCCC1)CCF 1458a_100000743260_100011217306 [0,0,0,1,0,0|2,0,1]=4 5606 B11R1.30 O=C(C=C1CCCC1)CCO 1458a_100000743260_100000211926 [0,0,0,1,0,0|2,0,1]=4 5607 B11R1.30 O=C(CCF)CC1CCCC1 1458a_100000210891_100011217306 [0,0,0,1,0,0|2,0,0]=3 5608 B11R1.30 O=C(CCF)CC1CCOC1 1458a_100011218419_100011217306 [0,0,0,1,0,0|3,0,0]=4 5609 B11R1.30 O=C(CCF)CN1CCCC1 1458a_100000740243_100011217306 [0,0,0,1,0,0|3,0,0]=4 5610 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [0,0,0,1,0,0|2,0,0]=3 5611 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [0,0,0,1,0,0|2,0,0]=3 5612 B11R1.30 O=C(CCO)CC1CCCO1 1458a_100011216618_100000203698 [0,0,0,1,0,0|3,0,0]=4 5613 B11R1.30 O=C(CCO)CC1CCOC1 1458a_100011216618_100000702531 [0,0,0,1,0,0|3,0,0]=4 5614 B11R1.30 O=C(CCO)CC1CCOC1 1458a_100011218419_100000211926 [0,0,0,1,0,0|3,0,0]=4 5615 B11R1.30 O=C(CCO)CN1CCCC1 1458a_100000740243_100000211926 [0,0,0,1,0,0|3,0,0]=4 5616 B11R1.30 O=C(CCO)NC1CCCC1 240690a_100000211070_100011216618 [0,0,0,1,0,0|2,0,0]=3 5617 B11R1.30 O=C(CCO)N[C@@H]1CCOC1 240690a_200015188469_100011216618 [0,0,0,1,0,0|3,0,0]=4 5618 B11R1.30 O=C(CCO)N[C@H]1CCOC1 240690a_100015188467_100011216618 [0,0,0,1,0,0|3,0,0]=4 5619 B11R1.30 [13CH3]NCC(=O)NC1CCCC1 2230a_100000747513_200025704644 [0,0,0,1,0,0|2,0,0]=3 5620 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_100000183512_200025704644 [0,0,0,1,0,0|2,0,0]=3 5621 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_200025704644_100000183512 [0,0,0,1,0,0|2,0,0]=3 5622 B11R1.78 CCCCCCN1CC(C1)C 2230a_100000702820_100000210314 [0,0,0,1,0,0|3,0,0]=4 5623 B11R1.78 CCCCCCN1CC(C1)C 269982a_100000702820_100000210757 [0,0,0,1,0,0|3,0,0]=4 5624 B11R1.78 CCCCCCN1CC(C1)C 34a_100000702820_100000210314 [0,0,0,1,0,0|3,0,0]=4 5625 B11R1.117 CCCN1CCCCCCC1 2230a_100000211400_100000210303 [0,0,0,1,0,0|3,0,0]=4 5626 B11R1.117 CCCN1CCCCCCC1 269982a_100000211400_100000210303 [0,0,0,1,0,0|3,0,0]=4 5627 B11R1.117 CCCN1CCCCCCC1 34a_100000211400_100000210303 [0,0,0,1,0,0|3,0,0]=4 5628 B11R1.127 CCCc1noc(n1)CCC 270196a_100011193412_100000211992 [0,0,0,1,0,0|2,0,1]=4 5629 B11R1.135 CCCN1CCNC(=O)CC1 2230a_100000698595_100000210303 [0,0,0,1,0,0|3,0,0]=4 5630 B11R1.135 CCCN1CCNC(=O)CC1 269982a_100000698595_100000210303 [0,0,0,1,0,0|3,0,0]=4 5631 B11R1.180 CCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210326 [0,0,0,1,0,0|2,0,1]=4 5632 B11R1.180 CCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210215 [0,0,0,1,0,0|2,0,1]=4 5633 B11R1.180 CCCCCN1CCC[C@H]1C 2230a_100015189458_100000210326 [0,0,0,1,0,0|2,0,1]=4 5634 B11R1.180 CCCCCN1CCC[C@H]1C 269982a_100015189458_100000210215 [0,0,0,1,0,0|2,0,1]=4 5635 B11R1.180 CCCCCN1CCC[C@H]1C 34a_100015189458_100000718602 [0,0,0,1,0,0|2,0,1]=4 5636 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [0,0,0,1,0,0|2,0,0]=3 5637 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [0,0,0,1,0,0|2,0,0]=3 5638 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [0,0,0,1,0,0|3,0,0]=4 5639 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [0,0,0,1,0,0|3,0,0]=4 5640 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [0,0,0,1,0,0|3,0,0]=4 5641 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [0,0,0,1,0,0|3,0,0]=4 5642 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [0,0,0,1,0,0|2,0,0]=3 5643 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [0,0,0,1,0,0|2,0,0]=3 5644 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [0,0,0,1,0,0|2,0,0]=3 5645 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [0,0,0,1,0,0|3,0,0]=4 5646 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [0,0,0,1,0,0|3,0,0]=4 5647 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [0,0,0,1,0,0|3,0,0]=4 5648 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [0,0,0,1,0,0|2,0,0]=3 5649 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [0,0,0,1,0,0|2,0,0]=3 5650 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [0,0,0,1,0,0|3,0,0]=4 5651 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [0,0,0,1,0,0|3,0,0]=4 5652 B11R1.180 CCCOCC1=CCCC1=O 34a_100000087531_100000210303 [0,0,0,1,0,0|2,0,1]=4 5653 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [0,0,0,1,0,0|3,0,0]=4 5654 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [0,0,0,1,0,0|2,0,0]=3 5655 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [0,0,0,1,0,0|2,0,0]=3 5656 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [0,0,0,1,0,0|2,0,0]=3 5657 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [0,0,0,1,0,0|2,0,0]=3 5658 B11R1.180 CCNCCN1CCNC1=O 2230a_100011207550_100000210202 [0,0,0,1,0,0|3,0,0]=4 5659 B11R1.180 CCNCCN1CCNC1=O 2230a_100015525214_100000090651 [0,0,0,1,0,0|3,0,0]=4 5660 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [0,0,0,1,0,0|2,0,0]=3 5661 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [0,0,0,1,0,0|2,0,0]=3 5662 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [0,0,0,1,0,0|2,0,0]=3 5663 B11R1.180 CCOCCN1CCNC1=O 34a_100000216532_100000210202 [0,0,0,1,0,0|3,0,0]=4 5664 B11R1.180 CCOCSC1CCCC1=O 62a_100000211823_100000739092 [0,0,0,1,0,0|3,0,0]=4 5665 B11R1.180 CCOCSC1CCCC1=O 62a_100000739092_100000211823 [0,0,0,1,0,0|3,0,0]=4 5666 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [0,0,0,1,0,0|2,0,0]=3 5667 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [0,0,0,1,0,0|2,0,0]=3 5668 B11R1.180 CCSCCN1CCNC1=O 62a_100000090651_100000210202 [0,0,0,1,0,0|3,0,0]=4 5669 B11R1.180 CCSCCN1CCNC1=O 62a_100000210202_100000090651 [0,0,0,1,0,0|3,0,0]=4 5670 B11R1.180 CNCCCN1CCCC1=O 2230a_100000210347_200000210301 [0,0,0,1,0,0|2,0,0]=3 5671 B11R1.180 CNCCCN1CCCC1=O 34a_100000210347_200000210301 [0,0,0,1,0,0|2,0,0]=3 5672 B11R1.180 COCCCN1CCCC1=O 34a_100011216539_200000210301 [0,0,0,1,0,0|2,0,0]=3 5673 B11R1.180 COCCCN1CCCC1=O 7a_100011216539_200000210301 [0,0,0,1,0,0|2,0,0]=3 5674 B11R1.180 COCCNC1CCCC1=O 2230a_100000209980_100000211823 [0,0,0,1,0,0|3,0,0]=4 5675 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [0,0,0,1,0,0|3,0,0]=4 5676 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [0,0,0,1,0,0|3,0,0]=4 5677 B11R1.180 COCCSC1CCCC1=O 62a_100000211823_100000233755 [0,0,0,1,0,0|3,0,0]=4 5678 B11R1.180 COCCSC1CCCC1=O 62a_100000233755_100000211823 [0,0,0,1,0,0|3,0,0]=4 5679 B11R1.180 COCSCN1CCCC1=O 62a_100000026320_100000766300 [0,0,0,1,0,0|3,0,0]=4 5680 B11R1.180 COCSCN1CCCC1=O 62a_100000766300_100000026320 [0,0,0,1,0,0|3,0,0]=4 5681 B11R1.180 CSCCNC1CCCC1=O 2230a_100020590264_100000211823 [0,0,0,1,0,0|3,0,0]=4 5682 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [0,0,0,1,0,0|3,0,0]=4 5683 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [0,0,0,1,0,0|3,0,0]=4 5684 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [0,0,0,1,0,0|3,0,0]=4 5685 B11R1.180 CSCCSC1CCCC1=O 62a_100000211823_100000751147 [0,0,0,1,0,0|3,0,0]=4 5686 B11R1.180 CSCCSC1CCCC1=O 62a_100000212216_100000211823 [0,0,0,1,0,0|3,0,0]=4 5687 B11R1.180 CSCSCN1CCCC1=O 62a_100000026320_100011218213 [0,0,0,1,0,0|3,0,0]=4 5688 B11R1.180 CSCSCN1CCCC1=O 62a_100011218213_100000026320 [0,0,0,1,0,0|3,0,0]=4 5689 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [0,0,0,1,0,0|3,0,0]=4 5690 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [0,0,0,1,0,0|3,0,0]=4 5691 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [0,0,0,1,0,0|3,0,0]=4 5692 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [0,0,0,1,0,0|3,0,0]=4 5693 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [0,0,0,1,0,0|3,0,0]=4 5694 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [0,0,0,1,0,0|3,0,0]=4 5695 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [0,0,0,1,0,0|3,0,0]=4 5696 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [0,0,0,1,0,0|3,0,0]=4 5697 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [0,0,0,1,0,0|3,0,0]=4 5698 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [0,0,0,1,0,0|3,0,0]=4 5699 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [0,0,0,1,0,0|3,0,0]=4 5700 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [0,0,0,1,0,0|3,0,0]=4 5701 B11R1.180 O=C1CCCN1CCOCF 34a_100000211209_100015361967 [0,0,0,1,0,0|3,0,0]=4 5702 B11R1.180 O=C1CCCN1CCOCF 7a_100000211209_100015361967 [0,0,0,1,0,0|3,0,0]=4 5703 B11R1.180 O=C1CCCN1CCSCF 62a_100000739059_100015361967 [0,0,0,1,0,0|3,0,0]=4 5704 B11R1.180 O=C1CCCN1CCSCF 62a_100015361967_100000739059 [0,0,0,1,0,0|3,0,0]=4 5705 B11R1.180 O=C1CCCN1CSCCF 62a_100000026320_100011217306 [0,0,0,1,0,0|3,0,0]=4 5706 B11R1.180 O=C1CCCN1CSCCF 62a_100011217306_100000026320 [0,0,0,1,0,0|3,0,0]=4 5707 B11R1.180 O=C1CCCN1CSCCO 62a_100000026320_100000211926 [0,0,0,1,0,0|3,0,0]=4 5708 B11R1.180 O=C1CCCN1CSCCO 62a_100000211926_100000026320 [0,0,0,1,0,0|3,0,0]=4 5709 B11R1.180 [13CH3]NCCCN1CCCC1=O 2230a_100000210347_200025704644 [0,0,0,1,0,0|2,0,0]=3 5710 B11R1.180 [13CH3]NCCCN1CCCC1=O 34a_100000210347_200025704644 [0,0,0,1,0,0|2,0,0]=3 5711 B11R1.180 [13CH3]OCCCN1CCCC1=O 34a_100011216539_200025704644 [0,0,0,1,0,0|2,0,0]=3 5712 B11R1.180 [13CH3]OCCCN1CCCC1=O 7a_100011216539_200025704644 [0,0,0,1,0,0|2,0,0]=3 5713 B11R1.199 C#CCC(=O)C1CCCC1C 1458a_100000690547_100000184674 [0,0,0,1,0,0|1,0,2]=4 5714 B11R1.199 C#CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100011220946 [0,0,0,1,0,0|1,0,2]=4 5715 B11R1.199 C#CCC(=O)N1CCC[C@H]1C 527a_100015189458_100011220946 [0,0,0,1,0,0|1,0,2]=4 5716 B11R1.199 C=CCC(=O)C1CCCC1C 1458a_100000690547_100000210623 [0,0,0,1,0,0|1,0,2]=4 5717 B11R1.199 C=CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210193 [0,0,0,1,0,0|1,0,2]=4 5718 B11R1.199 C=CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210193 [0,0,0,1,0,0|1,0,2]=4 5719 B11R1.199 C=CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210193 [0,0,0,1,0,0|1,0,2]=4 5720 B11R1.199 C=CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210193 [0,0,0,1,0,0|1,0,2]=4 5721 B11R1.199 C=CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210193 [0,0,0,1,0,0|1,0,2]=4 5722 B11R1.199 CC1CCCC1C(=O)CC#N 1458a_100000690547_100011214920 [0,0,0,1,0,0|2,0,1]=4 5723 B11R1.199 CC1CCCC1C(=O)CCF 1458a_100000690547_100011217306 [0,0,0,1,0,0|2,0,0]=3 5724 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [0,0,0,1,0,0|2,0,0]=3 5725 B11R1.199 CC1SCCN1C(=O)CCO 240690a_200011216479_100011216618 [0,0,0,1,0,0|3,0,0]=4 5726 B11R1.199 CC=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210699 [0,0,0,1,0,0|1,0,2]=4 5727 B11R1.199 CC=CC(=O)N1CCC[C@H]1C 11a_100015189458_100000210699 [0,0,0,1,0,0|1,0,2]=4 5728 B11R1.199 CC=CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210699 [0,0,0,1,0,0|1,0,2]=4 5729 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,0,0,1,0,0|2,0,1]=4 5730 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,0,0,1,0,0|1,0,0]=2 5731 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [0,0,0,1,0,0|1,0,0]=2 5732 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [0,0,0,1,0,0|1,0,0]=2 5733 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [0,0,0,1,0,0|1,0,0]=2 5734 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [0,0,0,1,0,0|1,0,0]=2 5735 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [0,0,0,1,0,0|1,0,0]=2 5736 B11R1.199 CCCC(=O)N1CCSC1C 11a_200011216479_100000211992 [0,0,0,1,0,0|2,0,0]=3 5737 B11R1.199 CCCC(=O)N1CCSC1C 1626a_200011216479_100000211992 [0,0,0,1,0,0|2,0,0]=3 5738 B11R1.199 CCCC(=O)N1CCSC1C 240690a_200011216479_100000211992 [0,0,0,1,0,0|2,0,0]=3 5739 B11R1.199 CCCC(=O)N1CCSC1C 527a_200011216479_100000211992 [0,0,0,1,0,0|2,0,0]=3 5740 B11R1.199 CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210303 [0,0,0,1,0,0|2,0,0]=3 5741 B11R1.199 CCCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000766640 [0,0,0,1,0,0|2,0,1]=4 5742 B11R1.199 CCCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000766640 [0,0,0,1,0,0|2,0,1]=4 5743 B11R1.199 CCCC(C)N1CCC[C@@H]1C 270004a_100020605311_100000211909 [0,0,0,1,0,0|2,0,1]=4 5744 B11R1.199 CCCC(C)N1CCC[C@H]1C 2230a_100015189458_100000766640 [0,0,0,1,0,0|2,0,1]=4 5745 B11R1.199 CCCC(C)N1CCC[C@H]1C 269982a_100015189458_100000766640 [0,0,0,1,0,0|2,0,1]=4 5746 B11R1.199 CCCC(C)N1CCC[C@H]1C 270004a_100015189458_100000211909 [0,0,0,1,0,0|2,0,1]=4 5747 B11R1.199 CCCC(C)N1CCC[C@H]1C 34a_100015189458_100000766640 [0,0,0,1,0,0|2,0,1]=4 5748 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [0,0,0,1,0,0|2,0,0]=3 5749 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [0,0,0,1,0,0|2,0,0]=3 5750 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [0,0,0,1,0,0|2,0,0]=3 5751 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 2708a_100015525214_100020605311 [0,0,0,1,0,0|2,0,0]=3 5752 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 273464a_100015525214_100020605311 [0,0,0,1,0,0|2,0,0]=3 5753 B11R1.199 CCNC(=O)N1CCC[C@H]1C 2708a_100015525214_100015189458 [0,0,0,1,0,0|2,0,0]=3 5754 B11R1.199 CCNC(=O)N1CCC[C@H]1C 273464a_100015525214_100015189458 [0,0,0,1,0,0|2,0,0]=3 5755 B11R1.199 CCNC(=O)N1CCSC1C 2708a_100015525214_200011216479 [0,0,0,1,0,0|3,0,0]=4 5756 B11R1.199 CCNC(=O)N1CCSC1C 273464a_100015525214_200011216479 [0,0,0,1,0,0|3,0,0]=4 5757 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 11a_100015525214_100009816429 [0,0,0,1,0,0|3,0,0]=4 5758 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 2230a_100020641767_200000210301 [0,0,0,1,0,0|3,0,0]=4 5759 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 240690a_100015525214_100009816429 [0,0,0,1,0,0|3,0,0]=4 5760 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 269982a_100020641767_200000210301 [0,0,0,1,0,0|3,0,0]=4 5761 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 34a_100020641767_200000210301 [0,0,0,1,0,0|3,0,0]=4 5762 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 527a_100015525214_100009816429 [0,0,0,1,0,0|3,0,0]=4 5763 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100020641767_200025704644 [0,0,0,1,0,0|3,0,0]=4 5764 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100020641767_200025704644 [0,0,0,1,0,0|3,0,0]=4 5765 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 34a_100020641767_200025704644 [0,0,0,1,0,0|3,0,0]=4 5766 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [0,0,0,1,0,0|3,0,0]=4 5767 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [0,0,0,1,0,0|3,0,0]=4 5768 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [0,0,0,1,0,0|3,0,0]=4 5769 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [0,0,0,1,0,0|3,0,0]=4 5770 B11R1.199 CN1CCC[C@H]1C(=O)CCF 1458a_100009816429_100011217306 [0,0,0,1,0,0|3,0,0]=4 5771 B11R1.199 CN1CCC[C@H]1C(=O)CCO 1458a_100009816429_100000211926 [0,0,0,1,0,0|3,0,0]=4 5772 B11R1.199 CNNC(=O)C1CCCC1C 22a_100016993582_100000690547 [0,0,0,1,0,0|3,0,0]=4 5773 B11R1.199 COCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210968 [0,0,0,1,0,0|2,0,0]=3 5774 B11R1.199 COCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210968 [0,0,0,1,0,0|2,0,0]=3 5775 B11R1.199 COCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210968 [0,0,0,1,0,0|2,0,0]=3 5776 B11R1.199 COCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210968 [0,0,0,1,0,0|2,0,0]=3 5777 B11R1.199 COCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210968 [0,0,0,1,0,0|2,0,0]=3 5778 B11R1.199 COCC(=O)N1CCSC1C 11a_200011216479_100000210968 [0,0,0,1,0,0|3,0,0]=4 5779 B11R1.199 COCC(=O)N1CCSC1C 1626a_200011216479_100000210968 [0,0,0,1,0,0|3,0,0]=4 5780 B11R1.199 COCC(=O)N1CCSC1C 240690a_200011216479_100000210968 [0,0,0,1,0,0|3,0,0]=4 5781 B11R1.199 COCC(=O)N1CCSC1C 527a_200011216479_100000210968 [0,0,0,1,0,0|3,0,0]=4 5782 B11R1.199 CSCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000184570 [0,0,0,1,0,0|2,0,0]=3 5783 B11R1.199 CSCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000184570 [0,0,0,1,0,0|2,0,0]=3 5784 B11R1.199 CSCC(=O)N1CCC[C@H]1C 11a_100015189458_100000184570 [0,0,0,1,0,0|2,0,0]=3 5785 B11R1.199 CSCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000184570 [0,0,0,1,0,0|2,0,0]=3 5786 B11R1.199 CSCC(=O)N1CCC[C@H]1C 527a_100015189458_100000184570 [0,0,0,1,0,0|2,0,0]=3 5787 B11R1.199 CSCC(=O)N1CCSC1C 11a_200011216479_100000184570 [0,0,0,1,0,0|3,0,0]=4 5788 B11R1.199 CSCC(=O)N1CCSC1C 1626a_200011216479_100000184570 [0,0,0,1,0,0|3,0,0]=4 5789 B11R1.199 CSCC(=O)N1CCSC1C 240690a_200011216479_100000184570 [0,0,0,1,0,0|3,0,0]=4 5790 B11R1.199 CSCC(=O)N1CCSC1C 527a_200011216479_100000184570 [0,0,0,1,0,0|3,0,0]=4 5791 B11R1.199 C[C@@H]1CCCN1C(=O)CC#N 240690a_100015189458_100051588842 [0,0,0,1,0,0|2,0,1]=4 5792 B11R1.199 C[C@@H]1CCCN1C(=O)CCO 240690a_100015189458_100011216618 [0,0,0,1,0,0|2,0,0]=3 5793 B11R1.199 C[C@H]1CCCN1C(=O)CC#N 240690a_100020605311_100051588842 [0,0,0,1,0,0|2,0,1]=4 5794 B11R1.199 C[C@H]1CCCN1C(=O)CCO 240690a_100020605311_100011216618 [0,0,0,1,0,0|2,0,0]=3 5795 B11R1.265 CCC1C(=O)NCCN1CC 2230a_100000187962_100000210202 [0,0,0,1,0,0|2,0,0]=3 5796 B11R1.265 CCC1C(=O)NCCN1CC 269982a_100000187962_100000204670 [0,0,0,1,0,0|2,0,0]=3 5797 B11R1.265 CCC1C(=O)NCCN1CC 34a_100000187962_100000210202 [0,0,0,1,0,0|2,0,0]=3 5798 B11R1.265 CCC1C(=O)NCCN1CF 269982a_100000187962_100015361967 [0,0,0,1,0,0|3,0,0]=4 5799 B11R1.265 CCC1C(=O)NCCN1CF 34a_100000187962_100015361967 [0,0,0,1,0,0|3,0,0]=4 5800 B11R1.288 CC(CCO)OCC1CC1C 34a_100000744939_100009893172 [0,0,0,1,0,0|2,0,1]=4 5801 B11R1.288 CC(CCO)OCC1CC1C 7a_100000744939_100009893172 [0,0,0,1,0,0|2,0,1]=4 5802 B11R1.288 CCCC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747444 [0,0,0,1,0,0|3,0,0]=4 5803 B11R1.288 CCCC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747444 [0,0,0,1,0,0|3,0,0]=4 5804 B11R1.288 CCCC(C)OCC1CC1C 34a_100000744939_100000766640 [0,0,0,1,0,0|1,0,1]=3 5805 B11R1.288 CCCC(C)OCC1CC1C 7a_100000744939_100000766640 [0,0,0,1,0,0|1,0,1]=3 5806 B11R1.288 COCC(C)OCC1CC1C 34a_100000744939_100000765312 [0,0,0,1,0,0|2,0,1]=4 5807 B11R1.288 COCC(C)OCC1CC1C 7a_100000744939_100000765312 [0,0,0,1,0,0|2,0,1]=4 5808 B11R1.289 C#CCC(=O)NCC1CCC1 1626a_100000738700_100011220946 [0,0,0,1,0,0|1,0,2]=4 5809 B11R1.289 C#CCC(=O)NCC1CCC1 527a_100000738700_100011220946 [0,0,0,1,0,0|1,0,2]=4 5810 B11R1.289 C=CCC(=O)NCC1CCC1 11a_100000738700_100000210193 [0,0,0,1,0,0|1,0,2]=4 5811 B11R1.289 C=CCC(=O)NCC1CCC1 1626a_100000738700_100000210193 [0,0,0,1,0,0|1,0,2]=4 5812 B11R1.289 C=CCC(=O)NCC1CCC1 240690a_100000738700_100000210193 [0,0,0,1,0,0|1,0,2]=4 5813 B11R1.289 C=CCC(=O)NCC1CCC1 527a_100000738700_100000210193 [0,0,0,1,0,0|1,0,2]=4 5814 B11R1.289 CC(CCBr)OCC1CCC1 34a_100012276601_100000763275 [0,0,0,1,0,0|2,0,1]=4 5815 B11R1.289 CC(CCO)OCC1CCC1 34a_100000760304_100009893172 [0,0,0,1,0,0|2,0,1]=4 5816 B11R1.289 CC=CC(=O)NCC1CCC1 11a_100000738700_100000210699 [0,0,0,1,0,0|1,0,2]=4 5817 B11R1.289 CC=CC(=O)NCC1CCC1 1626a_100000738700_100000210699 [0,0,0,1,0,0|1,0,2]=4 5818 B11R1.289 CC=CC(=O)NCC1CCC1 240690a_100000738700_100000210699 [0,0,0,1,0,0|1,0,2]=4 5819 B11R1.289 CCCC(=NNC1CCC1)C 4a_100000736358_100000211909 [0,0,0,1,0,0|3,0,0]=4 5820 B11R1.289 CCCC(=O)CNC1CCC1 2230a_100000749019_100000747444 [0,0,0,1,0,0|2,0,0]=3 5821 B11R1.289 CCCC(=O)CNC1COC1 2230a_100016991112_100000747444 [0,0,0,1,0,0|3,0,0]=4 5822 B11R1.289 CCCC(=O)COC1CSC1 7a_100000072292_100000747444 [0,0,0,1,0,0|3,0,0]=4 5823 B11R1.289 CCCC(=O)CSC1CCC1 62a_100000747444_100000749161 [0,0,0,1,0,0|2,0,0]=3 5824 B11R1.289 CCCC(=O)CSC1COC1 62a_100000747444_100009818527 [0,0,0,1,0,0|3,0,0]=4 5825 B11R1.289 CCCC(=O)NCC1CCC1 11a_100000738700_100000211992 [0,0,0,1,0,0|1,0,0]=2 5826 B11R1.289 CCCC(=O)NCC1CCC1 1626a_100000738700_100000211992 [0,0,0,1,0,0|1,0,0]=2 5827 B11R1.289 CCCC(=O)NCC1CCC1 240690a_100000738700_100000211992 [0,0,0,1,0,0|1,0,0]=2 5828 B11R1.289 CCCC(=O)NCC1CCC1 527a_100000738700_100000211992 [0,0,0,1,0,0|1,0,0]=2 5829 B11R1.289 CCCC(=O)NCC1COC1 11a_100015281925_100000211992 [0,0,0,1,0,0|2,0,0]=3 5830 B11R1.289 CCCC(=O)NCC1COC1 1626a_100015281925_100000211992 [0,0,0,1,0,0|2,0,0]=3 5831 B11R1.289 CCCC(=O)NCC1COC1 240690a_100015281925_100000211992 [0,0,0,1,0,0|2,0,0]=3 5832 B11R1.289 CCCC(=O)NCC1COC1 527a_100015281925_100000211992 [0,0,0,1,0,0|2,0,0]=3 5833 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000211992 [0,0,0,1,0,0|2,0,0]=3 5834 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000211992 [0,0,0,1,0,0|2,0,0]=3 5835 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000211992 [0,0,0,1,0,0|2,0,0]=3 5836 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000211992 [0,0,0,1,0,0|2,0,0]=3 5837 B11R1.289 CCCC(=O)NN=C1CCC1 4a_100000189770_100000241760 [0,0,0,1,0,0|2,0,1]=4 5838 B11R1.289 CCCC(=O)NNC1CCC1 22a_100000736358_100000211992 [0,0,0,1,0,0|2,0,0]=3 5839 B11R1.289 CCCC(=O)NNC1COC1 22a_100015188821_100000211992 [0,0,0,1,0,0|3,0,0]=4 5840 B11R1.289 CCCC(=O)OCN1CCC1 269982a_100000754969_100000034017 [0,0,0,1,0,0|1,0,0]=2 5841 B11R1.289 CCCC(C)NCC1CCC1 2230a_100000738700_100000766640 [0,0,0,1,0,0|2,0,1]=4 5842 B11R1.289 CCCC(C)NCC1CCC1 2230a_100000741246_100000763275 [0,0,0,1,0,0|2,0,1]=4 5843 B11R1.289 CCCC(C)NCC1CCC1 269862a_100000741246_100000753134 [0,0,0,1,0,0|2,0,1]=4 5844 B11R1.289 CCCC(C)NCC1CCC1 270004a_100000738700_100000211909 [0,0,0,1,0,0|2,0,1]=4 5845 B11R1.289 CCCC(C)NCC1CCC1 34a_100000738700_100000766640 [0,0,0,1,0,0|2,0,1]=4 5846 B11R1.289 CCCC(C)OCC1CCC1 34a_100000760304_100000766640 [0,0,0,1,0,0|1,0,1]=3 5847 B11R1.289 CCCC(C)OCC1CCC1 34a_100000764384_100000763275 [0,0,0,1,0,0|1,0,1]=3 5848 B11R1.289 CCCC(C)OCC1CCC1 7a_100000764384_100000763275 [0,0,0,1,0,0|1,0,1]=3 5849 B11R1.289 CCCC(C)OCC1CCO1 34a_100000039022_100000766640 [0,0,0,1,0,0|2,0,1]=4 5850 B11R1.289 CCCC(C)OCC1CCO1 34a_100000764384_100000103362 [0,0,0,1,0,0|2,0,1]=4 5851 B11R1.289 CCCC(C)OCC1CCO1 7a_100000764384_100000103362 [0,0,0,1,0,0|2,0,1]=4 5852 B11R1.289 CCCC(C)OCC1CNC1 34a_100016987283_100000766640 [0,0,0,1,0,0|2,0,1]=4 5853 B11R1.289 CCCC(C)OCC1COC1 34a_100000060846_100000766640 [0,0,0,1,0,0|2,0,1]=4 5854 B11R1.289 CCCC(C)OCC1COC1 34a_100000764384_100010264016 [0,0,0,1,0,0|2,0,1]=4 5855 B11R1.289 CCCC(C)OCC1COC1 7a_100000764384_100010264016 [0,0,0,1,0,0|2,0,1]=4 5856 B11R1.289 CCCC(C)SCC1CCC1 62a_100000763275_100000766640 [0,0,0,1,0,0|1,1,1]=4 5857 B11R1.289 CCCC(C)SCC1CCC1 62a_100000766640_100000763275 [0,0,0,1,0,0|1,1,1]=4 5858 B11R1.289 CCNC(=O)CCN1CCC1 269982a_100000754969_100000737597 [0,0,0,1,0,0|3,0,0]=4 5859 B11R1.289 CCNC(=O)CNC1CCC1 2230a_100000749019_100000183381 [0,0,0,1,0,0|3,0,0]=4 5860 B11R1.289 CCNC(=O)CNC1CCC1 270004a_100016988866_100000241760 [0,0,0,1,0,0|3,0,0]=4 5861 B11R1.289 CCNC(=O)CNC1CCC1 34a_100000749019_100000183381 [0,0,0,1,0,0|3,0,0]=4 5862 B11R1.289 CCNC(=O)COC1CCC1 34a_100000748187_100000183381 [0,0,0,1,0,0|3,0,0]=4 5863 B11R1.289 CCNC(=O)CSC1CCC1 62a_100000183381_100000749161 [0,0,0,1,0,0|3,0,0]=4 5864 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100000738700_100015525214 [0,0,0,1,0,0|2,0,0]=3 5865 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100015525214_100000738700 [0,0,0,1,0,0|2,0,0]=3 5866 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100000738700_100015525214 [0,0,0,1,0,0|2,0,0]=3 5867 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100015525214_100000738700 [0,0,0,1,0,0|2,0,0]=3 5868 B11R1.289 CCNC(=O)NCC1CCC1 512a_100000738700_100015525214 [0,0,0,1,0,0|2,0,0]=3 5869 B11R1.289 CCNC(=O)NCC1CCC1 512a_100015525214_100000738700 [0,0,0,1,0,0|2,0,0]=3 5870 B11R1.289 CCNC(=O)NCC1COC1 2708a_100015281925_100015525214 [0,0,0,1,0,0|3,0,0]=4 5871 B11R1.289 CCNC(=O)NCC1COC1 2708a_100015525214_100015281925 [0,0,0,1,0,0|3,0,0]=4 5872 B11R1.289 CCNC(=O)NCC1COC1 273464a_100015281925_100015525214 [0,0,0,1,0,0|3,0,0]=4 5873 B11R1.289 CCNC(=O)NCC1COC1 273464a_100015525214_100015281925 [0,0,0,1,0,0|3,0,0]=4 5874 B11R1.289 CCNC(=O)NCC1COC1 512a_100015281925_100015525214 [0,0,0,1,0,0|3,0,0]=4 5875 B11R1.289 CCNC(=O)NCC1COC1 512a_100015525214_100015281925 [0,0,0,1,0,0|3,0,0]=4 5876 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100015525214_100020831831 [0,0,0,1,0,0|3,0,0]=4 5877 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100015525214 [0,0,0,1,0,0|3,0,0]=4 5878 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100015525214_100020831831 [0,0,0,1,0,0|3,0,0]=4 5879 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100015525214 [0,0,0,1,0,0|3,0,0]=4 5880 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100015525214_100020831831 [0,0,0,1,0,0|3,0,0]=4 5881 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100015525214 [0,0,0,1,0,0|3,0,0]=4 5882 B11R1.289 CCNC(=O)NNC1CCC1 273464a_100015525214_100000736358 [0,0,0,1,0,0|3,0,0]=4 5883 B11R1.289 CCNC(=O)NNC1CCC1 512a_100000736358_100015525214 [0,0,0,1,0,0|3,0,0]=4 5884 B11R1.289 CCNC(=O)NNC1CCC1 512a_100015525214_100000736358 [0,0,0,1,0,0|3,0,0]=4 5885 B11R1.289 CCOC(=O)CCN1CCC1 269982a_100000754969_100011206558 [0,0,0,1,0,0|3,0,0]=4 5886 B11R1.289 CCOC(=O)CNC1CCC1 2230a_100000749019_100000188475 [0,0,0,1,0,0|3,0,0]=4 5887 B11R1.289 CCOC(=O)CNC1CCC1 34a_100000749019_100000188475 [0,0,0,1,0,0|3,0,0]=4 5888 B11R1.289 CCOC(=O)COC1CCC1 34a_100000748187_100000188475 [0,0,0,1,0,0|3,0,0]=4 5889 B11R1.289 CCOC(=O)CSC1CCC1 62a_100000188475_100000749161 [0,0,0,1,0,0|3,0,0]=4 5890 B11R1.289 CNNC(=O)NCC1CCC1 273464a_100000738700_100016993582 [0,0,0,1,0,0|3,0,0]=4 5891 B11R1.289 CNNC(=O)NCC1CCC1 512a_100000738700_100016993582 [0,0,0,1,0,0|3,0,0]=4 5892 B11R1.289 CNNC(=O)NCC1CCC1 512a_100016993582_100000738700 [0,0,0,1,0,0|3,0,0]=4 5893 B11R1.289 COCC(=O)NCC1CCC1 11a_100000738700_100000210968 [0,0,0,1,0,0|2,0,0]=3 5894 B11R1.289 COCC(=O)NCC1CCC1 1626a_100000738700_100000210968 [0,0,0,1,0,0|2,0,0]=3 5895 B11R1.289 COCC(=O)NCC1CCC1 240690a_100000738700_100000210968 [0,0,0,1,0,0|2,0,0]=3 5896 B11R1.289 COCC(=O)NCC1CCC1 527a_100000738700_100000210968 [0,0,0,1,0,0|2,0,0]=3 5897 B11R1.289 COCC(=O)NCC1COC1 11a_100015281925_100000210968 [0,0,0,1,0,0|3,0,0]=4 5898 B11R1.289 COCC(=O)NCC1COC1 1626a_100015281925_100000210968 [0,0,0,1,0,0|3,0,0]=4 5899 B11R1.289 COCC(=O)NCC1COC1 240690a_100015281925_100000210968 [0,0,0,1,0,0|3,0,0]=4 5900 B11R1.289 COCC(=O)NCC1COC1 527a_100015281925_100000210968 [0,0,0,1,0,0|3,0,0]=4 5901 B11R1.289 COCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210968 [0,0,0,1,0,0|3,0,0]=4 5902 B11R1.289 COCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210968 [0,0,0,1,0,0|3,0,0]=4 5903 B11R1.289 COCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210968 [0,0,0,1,0,0|3,0,0]=4 5904 B11R1.289 COCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210968 [0,0,0,1,0,0|3,0,0]=4 5905 B11R1.289 COCC(=O)NNC1CCC1 22a_100000736358_100000210968 [0,0,0,1,0,0|3,0,0]=4 5906 B11R1.289 COCC(C)OCC1CCC1 34a_100000760304_100000765312 [0,0,0,1,0,0|2,0,1]=4 5907 B11R1.289 COC[C@@H](C)OCC1CCC1 34a_100011934205_100000763275 [0,0,0,1,0,0|2,0,1]=4 5908 B11R1.289 CSCC(=O)NCC1CCC1 11a_100000738700_100000184570 [0,0,0,1,0,0|2,0,0]=3 5909 B11R1.289 CSCC(=O)NCC1CCC1 1626a_100000738700_100000184570 [0,0,0,1,0,0|2,0,0]=3 5910 B11R1.289 CSCC(=O)NCC1CCC1 240690a_100000738700_100000184570 [0,0,0,1,0,0|2,0,0]=3 5911 B11R1.289 CSCC(=O)NCC1CCC1 527a_100000738700_100000184570 [0,0,0,1,0,0|2,0,0]=3 5912 B11R1.289 CSCC(=O)NCC1COC1 11a_100015281925_100000184570 [0,0,0,1,0,0|3,0,0]=4 5913 B11R1.289 CSCC(=O)NCC1COC1 1626a_100015281925_100000184570 [0,0,0,1,0,0|3,0,0]=4 5914 B11R1.289 CSCC(=O)NCC1COC1 240690a_100015281925_100000184570 [0,0,0,1,0,0|3,0,0]=4 5915 B11R1.289 CSCC(=O)NCC1COC1 527a_100015281925_100000184570 [0,0,0,1,0,0|3,0,0]=4 5916 B11R1.289 CSCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000184570 [0,0,0,1,0,0|3,0,0]=4 5917 B11R1.289 CSCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000184570 [0,0,0,1,0,0|3,0,0]=4 5918 B11R1.289 CSCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000184570 [0,0,0,1,0,0|3,0,0]=4 5919 B11R1.289 CSCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000184570 [0,0,0,1,0,0|3,0,0]=4 5920 B11R1.289 CSCC(=O)NNC1CCC1 22a_100000736358_100000184570 [0,0,0,1,0,0|3,0,0]=4 5921 B11R1.289 N#CCC(=O)NCC1CCC1 1626a_100000738700_100051588842 [0,0,0,1,0,0|2,0,1]=4 5922 B11R1.289 N#CCC(=O)NCC1CCC1 240690a_100000738700_100051588842 [0,0,0,1,0,0|2,0,1]=4 5923 B11R1.289 O=C(CCO)NCC1CCC1 240690a_100000738700_100011216618 [0,0,0,1,0,0|2,0,0]=3 5924 B11R1.289 O=C(CCO)NCC1COC1 240690a_100015281925_100011216618 [0,0,0,1,0,0|3,0,0]=4 5925 B11R1.289 O=C(CCO)NC[C@@H]1CCO1 240690a_100020831831_100011216618 [0,0,0,1,0,0|3,0,0]=4 5926 B11R1.289 O=C(CCO)NNC1CCC1 22a_100000736358_100011216618 [0,0,0,1,0,0|3,0,0]=4 5927 B11R1.290 C#CCC(=O)NCCC1CC1 1626a_100000764129_100011220946 [0,0,0,1,0,0|1,0,2]=4 5928 B11R1.290 C#CCC(=O)NCCC1CC1 527a_100000764129_100011220946 [0,0,0,1,0,0|1,0,2]=4 5929 B11R1.290 C=CCC(=O)NCCC1CC1 1626a_100000764129_100000210193 [0,0,0,1,0,0|1,0,2]=4 5930 B11R1.290 C=CCC(=O)NCCC1CC1 240690a_100000764129_100000210193 [0,0,0,1,0,0|1,0,2]=4 5931 B11R1.290 C=CCC(=O)NCCC1CC1 527a_100000764129_100000210193 [0,0,0,1,0,0|1,0,2]=4 5932 B11R1.290 CC(CCBr)OCCC1CC1 34a_100012276601_100000694398 [0,0,0,1,0,0|2,0,1]=4 5933 B11R1.290 CC(CCO)OCCC1CC1 34a_100000754188_100009893172 [0,0,0,1,0,0|2,0,1]=4 5934 B11R1.290 CC(CCO)OCCC1CC1 7a_100000754188_100009893172 [0,0,0,1,0,0|2,0,1]=4 5935 B11R1.290 CC=CC(=O)NCCC1CC1 1626a_100000764129_100000210699 [0,0,0,1,0,0|1,0,2]=4 5936 B11R1.290 CC=CC(=O)NCCC1CC1 240690a_100000764129_100000210699 [0,0,0,1,0,0|1,0,2]=4 5937 B11R1.290 CCCC(=NNCC1CC1)C 4a_100000736359_100000211909 [0,0,0,1,0,0|3,0,0]=4 5938 B11R1.290 CCCC(=O)CC#CC1CC1 1458a_100000211992_100009895102 [0,0,0,1,0,0|1,0,2]=4 5939 B11R1.290 CCCC(=O)CCCC1CO1 1458a_100000211992_100000733510 [0,0,0,1,0,0|2,0,0]=3 5940 B11R1.290 CCCC(=O)CNCC1CC1 2230a_100000735609_100000747444 [0,0,0,1,0,0|2,0,0]=3 5941 B11R1.290 CCCC(=O)CSCC1CC1 1458a_200011316215_100000210303 [0,0,0,1,0,0|2,0,0]=3 5942 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000747444_100000742324 [0,0,0,1,0,0|2,0,0]=3 5943 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000756562_100000747444 [0,0,0,1,0,0|2,0,0]=3 5944 B11R1.290 CCCC(=O)CSCC1CO1 62a_100000747444_102125554688 [0,0,0,1,0,0|3,0,0]=4 5945 B11R1.290 CCCC(=O)CSCC1CO1 62a_102125554688_100000747444 [0,0,0,1,0,0|3,0,0]=4 5946 B11R1.290 CCCC(=O)CSCC1CS1 62a_100000031435_100000747444 [0,0,0,1,0,0|3,0,0]=4 5947 B11R1.290 CCCC(=O)CSCC1CS1 62a_100000747444_100000031435 [0,0,0,1,0,0|3,0,0]=4 5948 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747444 [0,0,0,1,0,0|3,0,0]=4 5949 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000747444_100000745022 [0,0,0,1,0,0|3,0,0]=4 5950 B11R1.290 CCCC(=O)NCCC1CC1 1626a_100000764129_100000211992 [0,0,0,1,0,0|1,0,0]=2 5951 B11R1.290 CCCC(=O)NCCC1CC1 240690a_100000764129_100000211992 [0,0,0,1,0,0|1,0,0]=2 5952 B11R1.290 CCCC(=O)NCCC1CC1 527a_100000764129_100000211992 [0,0,0,1,0,0|1,0,0]=2 5953 B11R1.290 CCCC(=O)NN=CC1CC1 4a_100000189770_100000741477 [0,0,0,1,0,0|2,0,1]=4 5954 B11R1.290 CCCC(=O)NNCC1CC1 22a_100000736359_100000211992 [0,0,0,1,0,0|2,0,0]=3 5955 B11R1.290 CCCC(=O)OCNC1CC1 34a_100000212008_100000034017 [0,0,0,1,0,0|1,0,0]=2 5956 B11R1.290 CCCC(C)NCCC1CC1 2230a_100000741246_100000694398 [0,0,0,1,0,0|2,0,1]=4 5957 B11R1.290 CCCC(C)NCCC1CC1 270004a_100000764129_100000211909 [0,0,0,1,0,0|2,0,1]=4 5958 B11R1.290 CCCC(C)NCCC1CC1 34a_100000764129_100000766640 [0,0,0,1,0,0|2,0,1]=4 5959 B11R1.290 CCCC(C)OCCC1CC1 34a_100000754188_100000766640 [0,0,0,1,0,0|1,0,1]=3 5960 B11R1.290 CCCC(C)OCCC1CC1 34a_100000764384_100000694398 [0,0,0,1,0,0|1,0,1]=3 5961 B11R1.290 CCCC(C)OCCC1CC1 7a_100000754188_100000766640 [0,0,0,1,0,0|1,0,1]=3 5962 B11R1.290 CCCC(C)OCCC1CC1 7a_100000764384_100000764125 [0,0,0,1,0,0|1,0,1]=3 5963 B11R1.290 CCCC(C)OCCC1CO1 34a_100000764384_100000732470 [0,0,0,1,0,0|2,0,1]=4 5964 B11R1.290 CCCC(C)OCCC1CO1 7a_100000764384_100000732470 [0,0,0,1,0,0|2,0,1]=4 5965 B11R1.290 CCCC(C)OCC[C@@H]1CO1 34a_100009820653_100000766640 [0,0,0,1,0,0|2,0,1]=4 5966 B11R1.290 CCCC(C)SCCC1CC1 62a_100000764125_100000766640 [0,0,0,1,0,0|1,1,1]=4 5967 B11R1.290 CCCC(C)SCCC1CC1 62a_100000766640_100000764125 [0,0,0,1,0,0|1,1,1]=4 5968 B11R1.290 CCNC(=O)CCNC1CC1 34a_100025743525_100000211595 [0,0,0,1,0,0|3,0,0]=4 5969 B11R1.290 CCNC(=O)CCSC1CC1 62a_100000737597_100000211595 [0,0,0,1,0,0|3,0,0]=4 5970 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100000735609_100000183381 [0,0,0,1,0,0|3,0,0]=4 5971 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100016988866_100000742324 [0,0,0,1,0,0|3,0,0]=4 5972 B11R1.290 CCNC(=O)CNCC1CC1 34a_100000735609_100000183381 [0,0,0,1,0,0|3,0,0]=4 5973 B11R1.290 CCNC(=O)COCC1CC1 34a_100000211283_100000183381 [0,0,0,1,0,0|3,0,0]=4 5974 B11R1.290 CCNC(=O)CSCC1CC1 11a_100015525214_200011316215 [0,0,0,1,0,0|3,0,0]=4 5975 B11R1.290 CCNC(=O)CSCC1CC1 240690a_100015525214_200011316215 [0,0,0,1,0,0|3,0,0]=4 5976 B11R1.290 CCNC(=O)CSCC1CC1 527a_100015525214_200011316215 [0,0,0,1,0,0|3,0,0]=4 5977 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000183381_100000742324 [0,0,0,1,0,0|3,0,0]=4 5978 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000756562_100000183381 [0,0,0,1,0,0|3,0,0]=4 5979 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100000764129_100015525214 [0,0,0,1,0,0|2,0,0]=3 5980 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100015525214_100000764129 [0,0,0,1,0,0|2,0,0]=3 5981 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100000764129_100015525214 [0,0,0,1,0,0|2,0,0]=3 5982 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100015525214_100000764129 [0,0,0,1,0,0|2,0,0]=3 5983 B11R1.290 CCNC(=O)NCCC1CC1 512a_100000764129_100015525214 [0,0,0,1,0,0|2,0,0]=3 5984 B11R1.290 CCNC(=O)NCCC1CC1 512a_100015525214_100000764129 [0,0,0,1,0,0|2,0,0]=3 5985 B11R1.290 CCNC(=O)NNCC1CC1 273464a_100015525214_100000736359 [0,0,0,1,0,0|3,0,0]=4 5986 B11R1.290 CCNC(=O)NNCC1CC1 512a_100000736359_100015525214 [0,0,0,1,0,0|3,0,0]=4 5987 B11R1.290 CCNC(=O)NNCC1CC1 512a_100015525214_100000736359 [0,0,0,1,0,0|3,0,0]=4 5988 B11R1.290 CCOC(=O)CCNC1CC1 34a_100000212008_100000765890 [0,0,0,1,0,0|3,0,0]=4 5989 B11R1.290 CCOC(=O)CCSC1CC1 62a_100000765890_100000211595 [0,0,0,1,0,0|3,0,0]=4 5990 B11R1.290 CCOC(=O)CNCC1CC1 2230a_100000735609_100000188475 [0,0,0,1,0,0|3,0,0]=4 5991 B11R1.290 CCOC(=O)CNCC1CC1 34a_100000735609_100000188475 [0,0,0,1,0,0|3,0,0]=4 5992 B11R1.290 CCOC(=O)COCC1CC1 34a_100000211283_100000188475 [0,0,0,1,0,0|3,0,0]=4 5993 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000188475_100000742324 [0,0,0,1,0,0|3,0,0]=4 5994 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000756562_100000188475 [0,0,0,1,0,0|3,0,0]=4 5995 B11R1.290 CNNC(=O)NCCC1CC1 273464a_100000764129_100016993582 [0,0,0,1,0,0|3,0,0]=4 5996 B11R1.290 CNNC(=O)NCCC1CC1 512a_100000764129_100016993582 [0,0,0,1,0,0|3,0,0]=4 5997 B11R1.290 CNNC(=O)NCCC1CC1 512a_100016993582_100000764129 [0,0,0,1,0,0|3,0,0]=4 5998 B11R1.290 COCC(=O)CCCC1CO1 1458a_100000210968_100000733510 [0,0,0,1,0,0|3,0,0]=4 5999 B11R1.290 COCC(=O)NCCC1CC1 1626a_100000764129_100000210968 [0,0,0,1,0,0|2,0,0]=3 6000 B11R1.290 COCC(=O)NCCC1CC1 240690a_100000764129_100000210968 [0,0,0,1,0,0|2,0,0]=3 6001 B11R1.290 COCC(=O)NCCC1CC1 527a_100000764129_100000210968 [0,0,0,1,0,0|2,0,0]=3 6002 B11R1.290 COCC(=O)NNCC1CC1 22a_100000736359_100000210968 [0,0,0,1,0,0|3,0,0]=4 6003 B11R1.290 COCC(C)OCCC1CC1 34a_100000754188_100000765312 [0,0,0,1,0,0|2,0,1]=4 6004 B11R1.290 COCC(C)OCCC1CC1 7a_100000754188_100000765312 [0,0,0,1,0,0|2,0,1]=4 6005 B11R1.290 COC[C@@H](C)OCCC1CC1 34a_100011934205_100000694398 [0,0,0,1,0,0|2,0,1]=4 6006 B11R1.290 CSCC(=O)CCCC1CO1 1458a_100000184570_100000733510 [0,0,0,1,0,0|3,0,0]=4 6007 B11R1.290 CSCC(=O)NCCC1CC1 1626a_100000764129_100000184570 [0,0,0,1,0,0|2,0,0]=3 6008 B11R1.290 CSCC(=O)NCCC1CC1 240690a_100000764129_100000184570 [0,0,0,1,0,0|2,0,0]=3 6009 B11R1.290 CSCC(=O)NCCC1CC1 527a_100000764129_100000184570 [0,0,0,1,0,0|2,0,0]=3 6010 B11R1.290 CSCC(=O)NNCC1CC1 22a_100000736359_100000184570 [0,0,0,1,0,0|3,0,0]=4 6011 B11R1.290 N#CCC(=O)NCCC1CC1 1626a_100000764129_100051588842 [0,0,0,1,0,0|2,0,1]=4 6012 B11R1.290 N#CCC(=O)NCCC1CC1 240690a_100000764129_100051588842 [0,0,0,1,0,0|2,0,1]=4 6013 B11R1.290 O=C(CCF)CSCC1CC1 1458a_200011316215_100011217306 [0,0,0,1,0,0|3,0,0]=4 6014 B11R1.290 O=C(CCO)CCCC1CO1 1458a_100011216618_100000733510 [0,0,0,1,0,0|3,0,0]=4 6015 B11R1.290 O=C(CCO)CSCC1CC1 1458a_200011316215_100000211926 [0,0,0,1,0,0|3,0,0]=4 6016 B11R1.290 O=C(CCO)NCCC1CC1 240690a_100000764129_100011216618 [0,0,0,1,0,0|2,0,0]=3 6017 B11R1.290 O=C(CCO)NNCC1CC1 22a_100000736359_100011216618 [0,0,0,1,0,0|3,0,0]=4 6018 B11R1.291 CCCC(=O)CN1CCC1C 269982a_100000755817_100000747444 [0,0,0,1,0,0|2,0,0]=3 6019 B11R1.291 CCNC(=O)CN1CCC1C 269982a_100000755817_100000183381 [0,0,0,1,0,0|3,0,0]=4 6020 B11R1.291 CCNC(=O)CN1CCC1C 34a_100000755817_100000183381 [0,0,0,1,0,0|3,0,0]=4 6021 B11R1.291 CCOC(=O)CN1CCC1C 269982a_100000755817_100000188475 [0,0,0,1,0,0|3,0,0]=4 6022 B11R1.291 CCOC(=O)CN1CCC1C 34a_100000755817_100000188475 [0,0,0,1,0,0|3,0,0]=4 6023 B11R1.356 C#CCCCCC(=O)C1CC1 1458a_100000210395_100010269958 [0,0,0,1,0,0|1,0,2]=4 6024 B11R1.356 C#CCCCNC(=O)C1CC1 11a_100000718082_100000210395 [0,0,0,1,0,0|1,0,2]=4 6025 B11R1.356 C#CCCCNC(=O)C1CC1 1626a_100000718082_100000210395 [0,0,0,1,0,0|1,0,2]=4 6026 B11R1.356 C#CCCCNC(=O)C1CC1 240690a_100000718082_100000210395 [0,0,0,1,0,0|1,0,2]=4 6027 B11R1.356 C#CCCCNC(=O)C1CC1 527a_100000718082_100000210395 [0,0,0,1,0,0|1,0,2]=4 6028 B11R1.356 C#CCNCOC(=O)C1CC1 34a_100000212058_100000140896 [0,0,0,1,0,0|1,0,2]=4 6029 B11R1.356 C#CCOCOC(=O)C1CC1 34a_100000210247_100000140896 [0,0,0,1,0,0|1,0,2]=4 6030 B11R1.356 C#CCSCOC(=O)C1CC1 62a_100000038162_100000140896 [0,0,0,1,0,0|1,0,2]=4 6031 B11R1.356 C=CCCCCC(=O)C1CC1 1458a_100000210395_100011215482 [0,0,0,1,0,0|1,0,2]=4 6032 B11R1.356 C=CCCCNC(=O)C1CC1 11a_100000700776_100000210395 [0,0,0,1,0,0|1,0,2]=4 6033 B11R1.356 C=CCCCNC(=O)C1CC1 1626a_100000700776_100000210395 [0,0,0,1,0,0|1,0,2]=4 6034 B11R1.356 C=CCCCNC(=O)C1CC1 240690a_100000700776_100000210395 [0,0,0,1,0,0|1,0,2]=4 6035 B11R1.356 C=CCCCNC(=O)C1CC1 527a_100000700776_100000210395 [0,0,0,1,0,0|1,0,2]=4 6036 B11R1.356 C=CCNCOC(=O)C1CC1 2230a_100020586998_100000140896 [0,0,0,1,0,0|1,0,2]=4 6037 B11R1.356 C=CCOCOC(=O)C1CC1 34a_200000210373_100000140896 [0,0,0,1,0,0|1,0,2]=4 6038 B11R1.356 C=CCSCOC(=O)C1CC1 62a_100000140896_100000210623 [0,0,0,1,0,0|1,0,2]=4 6039 B11R1.356 C=CCSCOC(=O)C1CC1 62a_100000210623_100000140896 [0,0,0,1,0,0|1,0,2]=4 6040 B11R1.356 CC(OCCCCF)C1CC1 34a_100000744524_100000729493 [0,0,0,1,0,0|2,0,1]=4 6041 B11R1.356 CC(OCCCCF)C1CC1 7a_100000744524_100000729493 [0,0,0,1,0,0|2,0,1]=4 6042 B11R1.356 CC(OCCCCO)C1CC1 34a_100000744524_100011216708 [0,0,0,1,0,0|2,0,1]=4 6043 B11R1.356 CC(OCCCCO)C1CC1 7a_100000744524_100000210776 [0,0,0,1,0,0|2,0,1]=4 6044 B11R1.356 CC/C=C\CCC(=O)C1CC1 1458a_100000210395_100015370543 [0,0,0,1,0,0|1,0,2]=4 6045 B11R1.356 CCCC=NNC(=O)C1CC1 4a_100000183419_100000185831 [0,0,0,1,0,0|2,0,1]=4 6046 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [0,0,0,1,0,0|1,0,0]=2 6047 B11R1.356 CCCCCCC(=O)C1CO1 1458a_100000701028_100000210757 [0,0,0,1,0,0|2,0,0]=3 6048 B11R1.356 CCCCCCN(C)C1CC1 2230a_100000226674_100000210314 [0,0,0,1,0,0|3,0,0]=4 6049 B11R1.356 CCCCCCN(C)C1CC1 269982a_100000226674_100000210757 [0,0,0,1,0,0|3,0,0]=4 6050 B11R1.356 CCCCCCN(C)C1CC1 269982a_106256046315_100000211595 [0,0,0,1,0,0|3,0,0]=4 6051 B11R1.356 CCCCCNC(=O)C1CC1 11a_100000209983_100000210395 [0,0,0,1,0,0|1,0,0]=2 6052 B11R1.356 CCCCCNC(=O)C1CC1 1626a_100000209983_100000210395 [0,0,0,1,0,0|1,0,0]=2 6053 B11R1.356 CCCCCNC(=O)C1CC1 240690a_100000209983_100000210395 [0,0,0,1,0,0|1,0,0]=2 6054 B11R1.356 CCCCCNC(=O)C1CC1 527a_100000209983_100000210395 [0,0,0,1,0,0|1,0,0]=2 6055 B11R1.356 CCCCCNC(=O)C1CO1 11a_100000209983_100000701028 [0,0,0,1,0,0|2,0,0]=3 6056 B11R1.356 CCCCCNC(=O)C1CO1 1626a_100000209983_100000701028 [0,0,0,1,0,0|2,0,0]=3 6057 B11R1.356 CCCCCNC(=O)C1CO1 240690a_100000209983_100000701028 [0,0,0,1,0,0|2,0,0]=3 6058 B11R1.356 CCCCCNC(=O)C1CO1 527a_100000209983_100000701028 [0,0,0,1,0,0|2,0,0]=3 6059 B11R1.356 CCCCCNC(C)C1CC1 2230a_100000700016_100000210326 [0,0,0,1,0,0|2,0,1]=4 6060 B11R1.356 CCCCCNC(C)C1CC1 269862a_100000209983_100000210639 [0,0,0,1,0,0|2,0,1]=4 6061 B11R1.356 CCCCCNC(C)C1CC1 34a_100000700016_100000718602 [0,0,0,1,0,0|2,0,1]=4 6062 B11R1.356 CCCCCOC(C)C1CC1 34a_100000744524_100000718602 [0,0,0,1,0,0|1,0,1]=3 6063 B11R1.356 CCCCCOC(C)C1CC1 7a_100000744524_100000210326 [0,0,0,1,0,0|1,0,1]=3 6064 B11R1.356 CCCCNCC(=O)C1CC1 2230a_100000102301_100000746382 [0,0,0,1,0,0|2,0,0]=3 6065 B11R1.356 CCCCNCC(=O)C1CC1 7a_106832991798_100000746382 [0,0,0,1,0,0|2,0,0]=3 6066 B11R1.356 CCCCNN=C(C)C1CC1 4a_100025702795_100000210639 [0,0,0,1,0,0|3,0,0]=4 6067 B11R1.356 CCCCNNC(=O)C1CC1 22a_100025702795_100000210395 [0,0,0,1,0,0|2,0,0]=3 6068 B11R1.356 CCCCNNC(=O)C1CO1 22a_100025702795_100000701028 [0,0,0,1,0,0|3,0,0]=4 6069 B11R1.356 CCCCOCC(=O)C1CC1 1458a_100000210395_100011995733 [0,0,0,1,0,0|2,0,0]=3 6070 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000210227_100000746382 [0,0,0,1,0,0|2,0,0]=3 6071 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000686663_100000210210 [0,0,0,1,0,0|2,0,0]=3 6072 B11R1.356 CCCCOCC(=O)C1CC1 7a_100000210227_100000746382 [0,0,0,1,0,0|2,0,0]=3 6073 B11R1.356 CCCCOCC(=O)C1CO1 1458a_100000701028_100011995733 [0,0,0,1,0,0|3,0,0]=4 6074 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000210211_100000746382 [0,0,0,1,0,0|2,0,0]=3 6075 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000746382_100000210210 [0,0,0,1,0,0|2,0,0]=3 6076 B11R1.356 CCCOCCC(=O)C1CC1 1458a_100000210395_100011215938 [0,0,0,1,0,0|2,0,0]=3 6077 B11R1.356 CCCOCCC(=O)C1CO1 1458a_100000701028_100011215938 [0,0,0,1,0,0|3,0,0]=4 6078 B11R1.356 CCCOCOC(=O)C1CC1 34a_100000210258_100000140896 [0,0,0,1,0,0|1,0,0]=2 6079 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000140896_100000210303 [0,0,0,1,0,0|1,0,0]=2 6080 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000210303_100000140896 [0,0,0,1,0,0|1,0,0]=2 6081 B11R1.356 CCOCCCC(=O)C1CC1 1458a_100000210395_100012232248 [0,0,0,1,0,0|2,0,0]=3 6082 B11R1.356 CCOCCCC(=O)C1CO1 1458a_100000701028_100012232248 [0,0,0,1,0,0|3,0,0]=4 6083 B11R1.356 CCOCCNC(=O)C1CC1 11a_100011200944_100000210395 [0,0,0,1,0,0|2,0,0]=3 6084 B11R1.356 CCOCCNC(=O)C1CC1 1626a_102516460346_100000210395 [0,0,0,1,0,0|2,0,0]=3 6085 B11R1.356 CCOCCNC(=O)C1CC1 240690a_100011200944_100000210395 [0,0,0,1,0,0|2,0,0]=3 6086 B11R1.356 CCOCCNC(=O)C1CC1 527a_100011200944_100000210395 [0,0,0,1,0,0|2,0,0]=3 6087 B11R1.356 CCOCCNC(=O)C1CO1 11a_100011200944_100000701028 [0,0,0,1,0,0|3,0,0]=4 6088 B11R1.356 CCOCCNC(=O)C1CO1 1626a_102516460346_100000701028 [0,0,0,1,0,0|3,0,0]=4 6089 B11R1.356 CCOCCNC(=O)C1CO1 240690a_100011200944_100000701028 [0,0,0,1,0,0|3,0,0]=4 6090 B11R1.356 CCOCCNC(=O)C1CO1 527a_100011200944_100000701028 [0,0,0,1,0,0|3,0,0]=4 6091 B11R1.356 CCOCCOC(C)C1CC1 34a_100000744524_100000210147 [0,0,0,1,0,0|2,0,1]=4 6092 B11R1.356 CCOCCOC(C)C1CC1 7a_100000744524_100011215890 [0,0,0,1,0,0|2,0,1]=4 6093 B11R1.356 CCOCSCC(=O)C1CC1 62a_100000739092_100000746382 [0,0,0,1,0,0|3,0,0]=4 6094 B11R1.356 CCOCSCC(=O)C1CC1 62a_100000746382_100000739092 [0,0,0,1,0,0|3,0,0]=4 6095 B11R1.356 CCSCCNC(=O)C1CC1 11a_100000106463_100000210395 [0,0,0,1,0,0|2,0,0]=3 6096 B11R1.356 CCSCCNC(=O)C1CC1 1626a_100000106463_100000210395 [0,0,0,1,0,0|2,0,0]=3 6097 B11R1.356 CCSCCNC(=O)C1CC1 240690a_100000106463_100000210395 [0,0,0,1,0,0|2,0,0]=3 6098 B11R1.356 CCSCCNC(=O)C1CC1 527a_100000106463_100000210395 [0,0,0,1,0,0|2,0,0]=3 6099 B11R1.356 CCSCCNC(=O)C1CO1 11a_100000106463_100000701028 [0,0,0,1,0,0|3,0,0]=4 6100 B11R1.356 CCSCCNC(=O)C1CO1 1626a_100000106463_100000701028 [0,0,0,1,0,0|3,0,0]=4 6101 B11R1.356 CCSCCNC(=O)C1CO1 240690a_100000106463_100000701028 [0,0,0,1,0,0|3,0,0]=4 6102 B11R1.356 CCSCCNC(=O)C1CO1 527a_100000106463_100000701028 [0,0,0,1,0,0|3,0,0]=4 6103 B11R1.356 CCSCCOC(C)C1CC1 34a_100000744524_100000757381 [0,0,0,1,0,0|2,0,1]=4 6104 B11R1.356 CCSCCOC(C)C1CC1 7a_100000744524_100000757381 [0,0,0,1,0,0|2,0,1]=4 6105 B11R1.356 COCCCCC(=O)C1CC1 1458a_100000210395_100000755781 [0,0,0,1,0,0|2,0,0]=3 6106 B11R1.356 COCCCCC(=O)C1CO1 1458a_100000701028_100000755781 [0,0,0,1,0,0|3,0,0]=4 6107 B11R1.356 COCCCNC(=O)C1CC1 1626a_100150723488_100000210395 [0,0,0,1,0,0|2,0,0]=3 6108 B11R1.356 COCCCNC(=O)C1CC1 240690a_100150723488_100000210395 [0,0,0,1,0,0|2,0,0]=3 6109 B11R1.356 COCCCNC(=O)C1CC1 527a_100150723488_100000210395 [0,0,0,1,0,0|2,0,0]=3 6110 B11R1.356 COCCCNC(=O)C1CO1 1626a_100150723488_100000701028 [0,0,0,1,0,0|3,0,0]=4 6111 B11R1.356 COCCCNC(=O)C1CO1 240690a_100150723488_100000701028 [0,0,0,1,0,0|3,0,0]=4 6112 B11R1.356 COCCCNC(=O)C1CO1 527a_100150723488_100000701028 [0,0,0,1,0,0|3,0,0]=4 6113 B11R1.356 COCCCOC(C)C1CC1 34a_100000744524_100000740836 [0,0,0,1,0,0|2,0,1]=4 6114 B11R1.356 COCCCOC(C)C1CC1 7a_100000744524_100000740836 [0,0,0,1,0,0|2,0,1]=4 6115 B11R1.356 COCCNCC(=O)C1CC1 2230a_100000209980_100000746382 [0,0,0,1,0,0|3,0,0]=4 6116 B11R1.356 COCCNNC(=O)C1CC1 22a_100000741390_100000210395 [0,0,0,1,0,0|3,0,0]=4 6117 B11R1.356 COCCOCC(=O)C1CC1 34a_100000210237_100000746382 [0,0,0,1,0,0|3,0,0]=4 6118 B11R1.356 COCCOCC(=O)C1CC1 34a_100000686663_100011201679 [0,0,0,1,0,0|3,0,0]=4 6119 B11R1.356 COCCSCC(=O)C1CC1 62a_100000233755_100000746382 [0,0,0,1,0,0|3,0,0]=4 6120 B11R1.356 COCCSCC(=O)C1CC1 62a_100000746382_100000233755 [0,0,0,1,0,0|3,0,0]=4 6121 B11R1.356 COCSCOC(=O)C1CC1 62a_100000140896_100000766300 [0,0,0,1,0,0|2,0,0]=3 6122 B11R1.356 COCSCOC(=O)C1CC1 62a_100000766300_100000140896 [0,0,0,1,0,0|2,0,0]=3 6123 B11R1.356 CSCCCNC(=O)C1CC1 11a_100000749238_100000210395 [0,0,0,1,0,0|2,0,0]=3 6124 B11R1.356 CSCCCNC(=O)C1CC1 1626a_100000749238_100000210395 [0,0,0,1,0,0|2,0,0]=3 6125 B11R1.356 CSCCCNC(=O)C1CC1 240690a_100000749238_100000210395 [0,0,0,1,0,0|2,0,0]=3 6126 B11R1.356 CSCCCNC(=O)C1CC1 527a_100000749238_100000210395 [0,0,0,1,0,0|2,0,0]=3 6127 B11R1.356 CSCCCNC(=O)C1CO1 11a_100000749238_100000701028 [0,0,0,1,0,0|3,0,0]=4 6128 B11R1.356 CSCCCNC(=O)C1CO1 1626a_100000749238_100000701028 [0,0,0,1,0,0|3,0,0]=4 6129 B11R1.356 CSCCCNC(=O)C1CO1 240690a_100000749238_100000701028 [0,0,0,1,0,0|3,0,0]=4 6130 B11R1.356 CSCCCNC(=O)C1CO1 527a_100000749238_100000701028 [0,0,0,1,0,0|3,0,0]=4 6131 B11R1.356 CSCCNCC(=O)C1CC1 2230a_100020590264_100000746382 [0,0,0,1,0,0|3,0,0]=4 6132 B11R1.356 CSCCOCC(=O)C1CC1 34a_100000230434_100000746382 [0,0,0,1,0,0|3,0,0]=4 6133 B11R1.356 CSCCOCC(=O)C1CC1 34a_100000686663_100000212216 [0,0,0,1,0,0|3,0,0]=4 6134 B11R1.356 CSCCOCC(=O)C1CC1 7a_100000230434_100000746382 [0,0,0,1,0,0|3,0,0]=4 6135 B11R1.356 CSCCSCC(=O)C1CC1 62a_100000212216_100000746382 [0,0,0,1,0,0|3,0,0]=4 6136 B11R1.356 CSCCSCC(=O)C1CC1 62a_100000746382_100000751147 [0,0,0,1,0,0|3,0,0]=4 6137 B11R1.356 CSCSCOC(=O)C1CC1 62a_100000140896_100011218213 [0,0,0,1,0,0|2,0,0]=3 6138 B11R1.356 CSCSCOC(=O)C1CC1 62a_100011218213_100000140896 [0,0,0,1,0,0|2,0,0]=3 6139 B11R1.356 N#CCCCCC(=O)C1CC1 1458a_100000210395_100000211819 [0,0,0,1,0,0|2,0,1]=4 6140 B11R1.356 N#CCSCOC(=O)C1CC1 62a_100000140896_100011215382 [0,0,0,1,0,0|2,0,1]=4 6141 B11R1.356 N#CCSCOC(=O)C1CC1 62a_100011215382_100000140896 [0,0,0,1,0,0|2,0,1]=4 6142 B11R1.356 NCCCOCC(=O)C1CC1 34a_100000182051_100000746382 [0,0,0,1,0,0|3,0,0]=4 6143 B11R1.356 NCCOCOC(=O)C1CC1 34a_100000210304_100000140896 [0,0,0,1,0,0|2,0,0]=3 6144 B11R1.356 O=C(CCCCCF)C1CC1 1458a_100000210395_100000729378 [0,0,0,1,0,0|2,0,0]=3 6145 B11R1.356 O=C(CCCCCF)C1CO1 1458a_100000701028_100000729378 [0,0,0,1,0,0|3,0,0]=4 6146 B11R1.356 O=C(CCCCCO)C1CC1 1458a_100000210395_100000746330 [0,0,0,1,0,0|2,0,0]=3 6147 B11R1.356 O=C(CCCCCO)C1CO1 1458a_100000701028_100000746330 [0,0,0,1,0,0|3,0,0]=4 6148 B11R1.356 O=C(CCOCCO)C1CC1 1458a_100000210395_100011215305 [0,0,0,1,0,0|3,0,0]=4 6149 B11R1.356 O=C(CNCCCF)C1CC1 2230a_100015189416_100000746382 [0,0,0,1,0,0|3,0,0]=4 6150 B11R1.356 O=C(CNCCCF)C1CC1 34a_100015189416_100000746382 [0,0,0,1,0,0|3,0,0]=4 6151 B11R1.356 O=C(COCCCBr)C1CC1 34a_100011217188_100000746382 [0,0,0,1,0,0|3,0,0]=4 6152 B11R1.356 O=C(COCCCCl)C1CC1 34a_100000230001_100000746382 [0,0,0,1,0,0|3,0,0]=4 6153 B11R1.356 O=C(COCCCF)C1CC1 34a_100000686663_100011934791 [0,0,0,1,0,0|3,0,0]=4 6154 B11R1.356 O=C(COCCCF)C1CC1 34a_100000759539_100000746382 [0,0,0,1,0,0|3,0,0]=4 6155 B11R1.356 O=C(COCCCO)C1CC1 34a_100000686663_100000230001 [0,0,0,1,0,0|3,0,0]=4 6156 B11R1.356 O=C(CSCCCF)C1CC1 62a_100000746382_100011934791 [0,0,0,1,0,0|3,0,0]=4 6157 B11R1.356 O=C(CSCCCF)C1CC1 62a_100011934791_100000746382 [0,0,0,1,0,0|3,0,0]=4 6158 B11R1.356 O=C(CSCCCO)C1CC1 62a_100000746382_100011215043 [0,0,0,1,0,0|3,0,0]=4 6159 B11R1.356 O=C(CSCCCO)C1CC1 62a_100011215043_100000746382 [0,0,0,1,0,0|3,0,0]=4 6160 B11R1.356 O=C(NCCCCO)C1CC1 240690a_100000750430_100000210395 [0,0,0,1,0,0|2,0,0]=3 6161 B11R1.356 O=C(NCCCCO)C1CC1 527a_100000750430_100000210395 [0,0,0,1,0,0|2,0,0]=3 6162 B11R1.356 O=C(NCCCCO)C1CO1 240690a_100000750430_100000701028 [0,0,0,1,0,0|3,0,0]=4 6163 B11R1.356 O=C(NCCCCO)C1CO1 527a_100000750430_100000701028 [0,0,0,1,0,0|3,0,0]=4 6164 B11R1.356 O=C(OCNCCF)C1CC1 34a_100000724931_100000140896 [0,0,0,1,0,0|2,0,0]=3 6165 B11R1.356 O=C(OCNCCO)C1CC1 2230a_100016997473_100000140896 [0,0,0,1,0,0|2,0,0]=3 6166 B11R1.356 O=C(OCNCCO)C1CC1 34a_100016990907_100000140896 [0,0,0,1,0,0|2,0,0]=3 6167 B11R1.356 O=C(OCOCCBr)C1CC1 34a_100000211926_100000140896 [0,0,0,1,0,0|2,0,0]=3 6168 B11R1.356 O=C(OCSCCF)C1CC1 62a_100000140896_100011217306 [0,0,0,1,0,0|2,0,0]=3 6169 B11R1.356 O=C(OCSCCF)C1CC1 62a_100011217306_100000140896 [0,0,0,1,0,0|2,0,0]=3 6170 B11R1.356 O=C(OCSCCO)C1CC1 62a_100000140896_100000211926 [0,0,0,1,0,0|2,0,0]=3 6171 B11R1.356 O=C(OCSCCO)C1CC1 62a_100000211926_100000140896 [0,0,0,1,0,0|2,0,0]=3 6172 B11R1.356 O=CCSCOC(=O)C1CC1 62a_100000140896_200015260668 [0,0,0,1,0,0|2,0,1]=4 6173 B11R1.356 O=CCSCOC(=O)C1CC1 62a_200015260668_100000140896 [0,0,0,1,0,0|2,0,1]=4 6174 B11R1.899 CC1(CCC1)OCCCCF 34a_100000759064_100000729493 [0,0,0,1,0,0|2,0,1]=4 6175 B11R1.899 CC1(CCC1)OCCCCF 7a_100000759064_100000729493 [0,0,0,1,0,0|2,0,1]=4 6176 B11R1.899 CC1(CCC1)OCCCCO 34a_100000759064_100011216708 [0,0,0,1,0,0|2,0,1]=4 6177 B11R1.899 CC1(CCC1)OCCCCO 7a_100000759064_100000210776 [0,0,0,1,0,0|2,0,1]=4 6178 B11R1.899 CCCCCNC1(CCC1)C 2230a_100000692455_100000210326 [0,0,0,1,0,0|2,0,1]=4 6179 B11R1.899 CCCCCNC1(CCC1)C 34a_100000692455_100000718602 [0,0,0,1,0,0|2,0,1]=4 6180 B11R1.899 CCCCCOC1(CCC1)C 34a_100000759064_100000718602 [0,0,0,1,0,0|1,0,1]=3 6181 B11R1.899 CCCCCOC1(CCC1)C 7a_100000759064_100000210326 [0,0,0,1,0,0|1,0,1]=3 6182 B11R1.899 CCCCCOC1(CSC1)C 7a_100016018533_100000210326 [0,0,0,1,0,0|2,0,1]=4 6183 B11R1.899 CCOCCOC1(CCC1)C 34a_100000759064_100000210147 [0,0,0,1,0,0|2,0,1]=4 6184 B11R1.899 CCOCCOC1(CCC1)C 7a_100000759064_100011215890 [0,0,0,1,0,0|2,0,1]=4 6185 B11R1.899 CCSCCOC1(CCC1)C 34a_100000759064_100000757381 [0,0,0,1,0,0|2,0,1]=4 6186 B11R1.899 CCSCCOC1(CCC1)C 7a_100000759064_100000757381 [0,0,0,1,0,0|2,0,1]=4 6187 B11R1.899 COCCCOC1(CCC1)C 34a_100000759064_100000740836 [0,0,0,1,0,0|2,0,1]=4 6188 B11R1.899 COCCCOC1(CCC1)C 7a_100000759064_100000740836 [0,0,0,1,0,0|2,0,1]=4 6189 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [2,0,0,0,0,0|0,0,2]=4 6190 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [2,0,0,0,0,0|0,0,2]=4 6191 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [2,0,0,0,0,0|0,0,2]=4 6192 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [2,0,0,0,0,0|0,0,2]=4 6193 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [2,0,0,0,0,0|0,0,2]=4 6194 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [2,0,0,0,0,0|0,0,2]=4 6195 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [2,0,0,0,0,0|0,0,2]=4 6196 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [2,0,0,0,0,0|0,0,2]=4 6197 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [2,0,0,0,0,0|0,0,2]=4 6198 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [2,0,0,0,0,0|0,0,2]=4 6199 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [2,0,0,0,0,0|0,0,2]=4 6200 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [2,0,0,0,0,0|0,0,2]=4 6201 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [2,0,0,0,0,0|0,0,2]=4 6202 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [2,0,0,0,0,0|0,0,2]=4 6203 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [2,0,0,0,0,0|0,0,2]=4 6204 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [2,0,0,0,0,0|0,0,2]=4 6205 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [2,0,0,0,0,0|1,0,1]=4 6206 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [2,0,0,0,0,0|1,0,1]=4 6207 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [2,0,0,0,0,0|1,0,0]=3 6208 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [2,0,0,0,0,0|1,0,0]=3 6209 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [2,0,0,0,0,0|1,0,0]=3 6210 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [2,0,0,0,0,0|1,0,0]=3 6211 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [2,0,0,0,0,0|1,0,0]=3 6212 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [2,0,0,0,0,0|1,0,0]=3 6213 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [2,0,0,0,0,0|1,0,0]=3 6214 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [2,0,0,0,0,0|1,0,0]=3 6215 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [2,0,0,0,0,0|1,0,0]=3 6216 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [2,0,0,0,0,0|1,0,0]=3 6217 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [2,0,0,0,0,0|1,0,0]=3 6218 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [2,0,0,0,0,0|2,0,0]=4 6219 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [2,0,0,0,0,0|2,0,0]=4 6220 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 6221 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 6222 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 6223 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 6224 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [2,0,0,0,0,0|2,0,0]=4 6225 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [2,0,0,0,0,0|2,0,0]=4 6226 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [2,0,0,0,0,0|2,0,0]=4 6227 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [2,0,0,0,0,0|1,0,0]=3 6228 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [2,0,0,0,0,0|1,0,0]=3 6229 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [2,0,0,0,0,0|1,0,0]=3 6230 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [2,0,0,0,0,0|1,0,0]=3 6231 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [2,0,0,0,0,0|1,0,0]=3 6232 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [2,0,0,0,0,0|1,0,1]=4 6233 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [2,0,0,0,0,0|1,0,1]=4 6234 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [2,0,0,0,0,0|0,0,0]=2 6235 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [2,0,0,0,0,0|0,0,0]=2 6236 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [2,0,0,0,0,0|1,0,0]=3 6237 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [2,0,0,0,0,0|1,0,0]=3 6238 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [2,0,0,0,0,0|1,0,0]=3 6239 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [2,0,0,0,0,0|1,0,0]=3 6240 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [2,0,0,0,0,0|1,0,0]=3 6241 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 6242 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 6243 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 6244 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [2,0,0,0,0,0|2,0,0]=4 6245 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [2,0,0,0,0,0|2,0,0]=4 6246 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [2,0,0,0,0,0|2,0,0]=4 6247 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [2,0,0,0,0,0|2,0,0]=4 6248 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [2,0,0,0,0,0|2,0,0]=4 6249 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [2,0,0,0,0,0|2,0,0]=4 6250 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [2,0,0,0,0,0|2,0,0]=4 6251 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [2,0,0,0,0,0|2,0,0]=4 6252 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [2,0,0,0,0,0|2,0,0]=4 6253 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 6254 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 6255 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 6256 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 6257 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [2,0,0,0,0,0|2,0,0]=4 6258 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [2,0,0,0,0,0|2,0,0]=4 6259 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [2,0,0,0,0,0|2,0,0]=4 6260 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [2,0,0,0,0,0|2,0,0]=4 6261 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [2,0,0,0,0,0|2,0,0]=4 6262 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [2,0,0,0,0,0|2,0,0]=4 6263 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 6264 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 6265 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 6266 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [2,0,0,0,0,0|2,0,0]=4 6267 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 6268 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 6269 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 6270 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 6271 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 6272 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [2,0,0,0,0,0|2,0,0]=4 6273 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [2,0,0,0,0,0|2,0,0]=4 6274 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [2,0,0,0,0,0|2,0,0]=4 6275 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [2,0,0,0,0,0|2,0,0]=4 6276 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 6277 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 6278 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 6279 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 6280 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 6281 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 6282 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [2,0,0,0,0,0|1,0,0]=3 6283 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [2,0,0,0,0,0|1,0,0]=3 6284 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [2,0,0,0,0,0|1,0,0]=3 6285 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [2,0,0,0,0,0|1,0,0]=3 6286 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [2,0,0,0,0,0|1,0,0]=3 6287 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [2,0,0,0,0,0|1,0,0]=3 6288 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [2,0,0,0,0,0|1,0,0]=3 6289 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [2,0,0,0,0,0|1,0,0]=3 6290 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [2,0,0,0,0,0|1,0,1]=4 6291 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [2,0,0,0,0,0|1,0,1]=4 6292 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [2,0,0,0,0,0|1,0,1]=4 6293 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [2,0,0,0,0,0|2,0,0]=4 6294 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [2,0,0,0,0,0|2,0,0]=4 6295 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [2,0,0,0,0,0|2,0,0]=4 6296 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [2,0,0,0,0,0|2,0,0]=4 6297 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 6298 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 6299 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 6300 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 6301 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 6302 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 6303 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [2,0,0,0,0,0|2,0,0]=4 6304 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [2,0,0,0,0,0|2,0,0]=4 6305 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [2,0,0,0,0,0|2,0,0]=4 6306 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [2,0,0,0,0,0|2,0,0]=4 6307 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 6308 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 6309 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [2,0,0,0,0,0|2,0,0]=4 6310 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 6311 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 6312 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 6313 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 6314 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [2,0,0,0,0,0|2,0,0]=4 6315 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [2,0,0,0,0,0|2,0,0]=4 6316 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [2,0,0,0,0,0|2,0,0]=4 6317 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [2,0,0,0,0,0|2,0,0]=4 6318 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [2,0,0,0,0,0|2,0,0]=4 6319 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [2,0,0,0,0,0|2,0,0]=4 6320 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [2,0,0,0,0,0|2,0,0]=4 6321 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [2,0,0,0,0,0|2,0,0]=4 6322 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [2,0,0,0,0,0|2,0,0]=4 6323 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [2,0,0,0,0,0|2,0,0]=4 6324 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [2,0,0,0,0,0|2,0,0]=4 6325 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [2,0,0,0,0,0|2,0,0]=4 6326 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [2,0,0,0,0,0|2,0,0]=4 6327 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [2,0,0,0,0,0|2,0,0]=4 6328 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [2,0,0,0,0,0|2,0,0]=4 6329 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [2,0,0,0,0,0|2,0,0]=4 6330 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [2,0,0,0,0,0|2,0,0]=4 6331 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [2,0,0,0,0,0|2,0,0]=4 6332 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [2,0,0,0,0,0|2,0,0]=4 6333 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [2,0,0,0,0,0|2,0,0]=4 6334 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [2,0,0,0,0,0|2,0,0]=4 6335 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [2,0,0,0,0,0|2,0,0]=4 6336 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [2,0,0,0,0,0|2,0,0]=4 6337 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [2,0,0,0,0,0|2,0,0]=4 6338 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [2,0,0,0,0,0|2,0,0]=4 6339 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [2,0,0,0,0,0|2,0,0]=4 6340 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [2,0,0,0,0,0|2,0,0]=4 6341 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [2,0,0,0,0,0|2,0,0]=4 6342 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [2,0,0,0,0,0|2,0,0]=4 6343 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [2,0,0,0,0,0|2,0,0]=4 6344 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [2,0,0,0,0,0|2,0,0]=4 6345 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [2,0,0,0,0,0|2,0,0]=4 6346 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [2,0,0,0,0,0|2,0,0]=4 6347 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [2,0,0,0,0,0|2,0,0]=4 6348 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [2,0,0,0,0,0|2,0,0]=4 6349 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [2,0,0,0,0,0|2,0,0]=4 6350 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [2,0,0,0,0,0|2,0,0]=4 6351 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [2,0,0,0,0,0|2,0,0]=4 6352 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [2,0,0,0,0,0|0,0,2]=4 6353 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [2,0,0,0,0,0|0,0,2]=4 6354 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [2,0,0,0,0,0|0,0,2]=4 6355 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [2,0,0,0,0,0|0,0,2]=4 6356 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [2,0,0,0,0,0|0,0,2]=4 6357 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [2,0,0,0,0,0|0,0,2]=4 6358 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [2,0,0,0,0,0|0,0,2]=4 6359 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [2,0,0,0,0,0|0,0,2]=4 6360 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [2,0,0,0,0,0|0,0,2]=4 6361 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [2,0,0,0,0,0|0,0,2]=4 6362 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [2,0,0,0,0,0|0,0,2]=4 6363 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [2,0,0,0,0,0|0,0,2]=4 6364 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [2,0,0,0,0,0|0,0,2]=4 6365 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [2,0,0,0,0,0|0,0,2]=4 6366 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 6367 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 6368 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 6369 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 6370 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [2,0,0,0,0,0|1,0,1]=4 6371 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [2,0,0,0,0,0|1,0,1]=4 6372 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [2,0,0,0,0,0|1,0,1]=4 6373 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [2,0,0,0,0,0|1,0,1]=4 6374 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [2,0,0,0,0,0|1,0,1]=4 6375 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [2,0,0,0,0,0|1,0,1]=4 6376 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [2,0,0,0,0,0|0,0,2]=4 6377 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [2,0,0,0,0,0|0,0,2]=4 6378 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [2,0,0,0,0,0|1,0,1]=4 6379 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [2,0,0,0,0,0|1,0,1]=4 6380 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [2,0,0,0,0,0|0,0,2]=4 6381 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [2,0,0,0,0,0|0,0,2]=4 6382 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [2,0,0,0,0,0|1,0,1]=4 6383 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [2,0,0,0,0,0|1,0,1]=4 6384 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [2,0,0,0,0,0|2,0,0]=4 6385 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [2,0,0,0,0,0|1,0,1]=4 6386 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [2,0,0,0,0,0|1,0,1]=4 6387 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [2,0,0,0,0,0|1,0,1]=4 6388 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [2,0,0,0,0,0|1,0,1]=4 6389 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [2,0,0,0,0,0|2,0,0]=4 6390 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,1]=4 6391 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,1]=4 6392 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,1]=4 6393 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,1]=4 6394 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,1]=4 6395 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|1,0,1]=4 6396 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|1,0,1]=4 6397 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|1,0,1]=4 6398 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|1,0,1]=4 6399 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|1,0,1]=4 6400 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|1,0,1]=4 6401 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|1,0,1]=4 6402 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|1,0,1]=4 6403 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|1,0,1]=4 6404 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|1,0,1]=4 6405 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|1,0,1]=4 6406 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|1,0,1]=4 6407 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|1,0,1]=4 6408 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|1,0,1]=4 6409 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|1,0,1]=4 6410 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|1,0,1]=4 6411 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|1,0,0]=3 6412 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [2,0,0,0,0,0|2,0,0]=4 6413 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [2,0,0,0,0,0|2,0,0]=4 6414 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [2,0,0,0,0,0|2,0,0]=4 6415 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [2,0,0,0,0,0|2,0,0]=4 6416 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [2,0,0,0,0,0|2,0,0]=4 6417 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [2,0,0,0,0,0|2,0,0]=4 6418 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [2,0,0,0,0,0|2,0,0]=4 6419 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [2,0,0,0,0,0|1,0,1]=4 6420 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|1,0,1]=4 6421 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|1,0,1]=4 6422 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [2,0,0,0,0,0|1,0,0]=3 6423 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|0,0,0]=2 6424 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|0,0,0]=2 6425 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|0,0,0]=2 6426 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [2,0,0,0,0,0|1,0,0]=3 6427 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [2,0,0,0,0,0|1,0,0]=3 6428 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [2,0,0,0,0,0|1,0,0]=3 6429 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [2,0,0,0,0,0|1,0,0]=3 6430 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [2,0,0,0,0,0|1,0,0]=3 6431 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [2,0,0,0,0,0|1,0,0]=3 6432 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|0,1,0]=3 6433 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|0,1,0]=3 6434 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [2,0,0,0,0,0|1,1,0]=4 6435 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [2,0,0,0,0,0|1,1,0]=4 6436 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [2,0,0,0,0,0|1,1,0]=4 6437 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [2,0,0,0,0,0|1,1,0]=4 6438 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [2,0,0,0,0,0|1,1,0]=4 6439 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [2,0,0,0,0,0|1,1,0]=4 6440 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [2,0,0,0,0,0|1,1,0]=4 6441 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [2,0,0,0,0,0|1,1,0]=4 6442 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|1,0,1]=4 6443 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|1,0,1]=4 6444 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [2,0,0,0,0,0|1,0,1]=4 6445 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|0,0,1]=3 6446 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|0,0,1]=3 6447 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [2,0,0,0,0,0|1,0,1]=4 6448 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [2,0,0,0,0,0|1,0,1]=4 6449 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [2,0,0,0,0,0|1,0,1]=4 6450 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [2,0,0,0,0,0|1,0,1]=4 6451 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [2,0,0,0,0,0|1,0,1]=4 6452 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [2,0,0,0,0,0|1,0,1]=4 6453 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [2,0,0,0,0,0|1,0,1]=4 6454 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [2,0,0,0,0,0|1,0,1]=4 6455 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [2,0,0,0,0,0|1,0,1]=4 6456 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [2,0,0,0,0,0|1,0,1]=4 6457 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [2,0,0,0,0,0|1,0,1]=4 6458 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [2,0,0,0,0,0|1,0,1]=4 6459 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [2,0,0,0,0,0|1,0,1]=4 6460 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [2,0,0,0,0,0|1,0,1]=4 6461 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [2,0,0,0,0,0|1,0,1]=4 6462 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [2,0,0,0,0,0|1,0,1]=4 6463 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [2,0,0,0,0,0|1,0,1]=4 6464 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [2,0,0,0,0,0|1,0,1]=4 6465 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [2,0,0,0,0,0|1,0,1]=4 6466 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [2,0,0,0,0,0|1,0,1]=4 6467 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [2,0,0,0,0,0|1,0,1]=4 6468 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [2,0,0,0,0,0|1,0,1]=4 6469 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [2,0,0,0,0,0|1,0,1]=4 6470 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [2,0,0,0,0,0|1,0,1]=4 6471 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [2,0,0,0,0,0|1,0,1]=4 6472 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [2,0,0,0,0,0|1,0,1]=4 6473 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [2,0,0,0,0,0|1,0,1]=4 6474 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [2,0,0,0,0,0|1,0,1]=4 6475 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [2,0,0,0,0,0|1,0,1]=4 6476 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [2,0,0,0,0,0|1,0,1]=4 6477 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|0,1,1]=4 6478 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 6479 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 6480 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [2,0,0,0,0,0|2,0,0]=4 6481 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [2,0,0,0,0,0|2,0,0]=4 6482 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [2,0,0,0,0,0|2,0,0]=4 6483 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [2,0,0,0,0,0|2,0,0]=4 6484 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [2,0,0,0,0,0|2,0,0]=4 6485 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [2,0,0,0,0,0|1,0,0]=3 6486 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [2,0,0,0,0,0|1,0,0]=3 6487 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [2,0,0,0,0,0|1,0,0]=3 6488 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [2,0,0,0,0,0|1,0,0]=3 6489 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [2,0,0,0,0,0|1,0,0]=3 6490 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [2,0,0,0,0,0|1,0,0]=3 6491 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [2,0,0,0,0,0|1,0,0]=3 6492 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [2,0,0,0,0,0|1,0,0]=3 6493 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [2,0,0,0,0,0|1,0,0]=3 6494 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [2,0,0,0,0,0|1,0,0]=3 6495 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [2,0,0,0,0,0|1,0,0]=3 6496 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [2,0,0,0,0,0|1,0,0]=3 6497 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [2,0,0,0,0,0|1,0,0]=3 6498 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [2,0,0,0,0,0|1,0,0]=3 6499 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [2,0,0,0,0,0|1,0,0]=3 6500 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [2,0,0,0,0,0|1,0,0]=3 6501 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [2,0,0,0,0,0|1,0,0]=3 6502 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [2,0,0,0,0,0|1,0,0]=3 6503 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [2,0,0,0,0,0|1,0,0]=3 6504 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [2,0,0,0,0,0|1,0,0]=3 6505 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [2,0,0,0,0,0|1,0,0]=3 6506 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [2,0,0,0,0,0|2,0,0]=4 6507 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [2,0,0,0,0,0|1,0,0]=3 6508 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [2,0,0,0,0,0|1,0,0]=3 6509 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [2,0,0,0,0,0|1,0,0]=3 6510 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [2,0,0,0,0,0|1,0,0]=3 6511 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [2,0,0,0,0,0|1,0,0]=3 6512 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [2,0,0,0,0,0|1,0,0]=3 6513 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [2,0,0,0,0,0|2,0,0]=4 6514 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [2,0,0,0,0,0|2,0,0]=4 6515 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [2,0,0,0,0,0|1,0,0]=3 6516 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [2,0,0,0,0,0|1,0,0]=3 6517 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [2,0,0,0,0,0|1,0,0]=3 6518 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [2,0,0,0,0,0|1,0,0]=3 6519 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [2,0,0,0,0,0|1,0,0]=3 6520 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [2,0,0,0,0,0|2,0,0]=4 6521 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [2,0,0,0,0,0|2,0,0]=4 6522 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [2,0,0,0,0,0|1,1,0]=4 6523 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [2,0,0,0,0,0|1,1,0]=4 6524 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [2,0,0,0,0,0|1,1,0]=4 6525 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [2,0,0,0,0,0|1,1,0]=4 6526 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [2,0,0,0,0,0|1,1,0]=4 6527 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [2,0,0,0,0,0|1,1,0]=4 6528 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [2,0,0,0,0,0|1,1,0]=4 6529 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [2,0,0,0,0,0|1,1,0]=4 6530 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [2,0,0,0,0,0|1,1,0]=4 6531 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [2,0,0,0,0,0|1,1,0]=4 6532 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [2,0,0,0,0,0|1,1,0]=4 6533 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [2,0,0,0,0,0|1,1,0]=4 6534 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [2,0,0,0,0,0|1,1,0]=4 6535 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 6536 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [2,0,0,0,0,0|2,0,0]=4 6537 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 6538 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [2,0,0,0,0,0|2,0,0]=4 6539 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [2,0,0,0,0,0|2,0,0]=4 6540 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [2,0,0,0,0,0|2,0,0]=4 6541 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [2,0,0,0,0,0|2,0,0]=4 6542 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [2,0,0,0,0,0|2,0,0]=4 6543 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [2,0,0,0,0,0|2,0,0]=4 6544 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [2,0,0,0,0,0|2,0,0]=4 6545 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [2,0,0,0,0,0|2,0,0]=4 6546 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [2,0,0,0,0,0|2,0,0]=4 6547 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [2,0,0,0,0,0|2,0,0]=4 6548 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [2,0,0,0,0,0|2,0,0]=4 6549 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [2,0,0,0,0,0|2,0,0]=4 6550 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 6551 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 6552 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [2,0,0,0,0,0|2,0,0]=4 6553 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 6554 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [2,0,0,0,0,0|2,0,0]=4 6555 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [2,0,0,0,0,0|2,0,0]=4 6556 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [2,0,0,0,0,0|2,0,0]=4 6557 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [2,0,0,0,0,0|2,0,0]=4 6558 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [2,0,0,0,0,0|2,0,0]=4 6559 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [2,0,0,0,0,0|2,0,0]=4 6560 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [2,0,0,0,0,0|2,0,0]=4 6561 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [2,0,0,0,0,0|2,0,0]=4 6562 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [2,0,0,0,0,0|2,0,0]=4 6563 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [2,0,0,0,0,0|2,0,0]=4 6564 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [2,0,0,0,0,0|2,0,0]=4 6565 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [2,0,0,0,0,0|2,0,0]=4 6566 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [2,0,0,0,0,0|2,0,0]=4 6567 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [2,0,0,0,0,0|2,0,0]=4 6568 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [2,0,0,0,0,0|2,0,0]=4 6569 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [2,0,0,0,0,0|2,0,0]=4 6570 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [2,0,0,0,0,0|2,0,0]=4 6571 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [2,0,0,0,0,0|2,0,0]=4 6572 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [2,0,0,0,0,0|2,0,0]=4 6573 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [2,0,0,0,0,0|2,0,0]=4 6574 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [2,0,0,0,0,0|2,0,0]=4 6575 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [2,0,0,0,0,0|2,0,0]=4 6576 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [2,0,0,0,0,0|2,0,0]=4 6577 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [2,0,0,0,0,0|2,0,0]=4 6578 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [2,0,0,0,0,0|2,0,0]=4 6579 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [2,0,0,0,0,0|2,0,0]=4 6580 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [2,0,0,0,0,0|2,0,0]=4 6581 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [2,0,0,0,0,0|2,0,0]=4 6582 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [2,0,0,0,0,0|2,0,0]=4 6583 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [2,0,0,0,0,0|2,0,0]=4 6584 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [2,0,0,0,0,0|2,0,0]=4 6585 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [2,0,0,0,0,0|2,0,0]=4 6586 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [2,0,0,0,0,0|2,0,0]=4 6587 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [2,0,0,0,0,0|2,0,0]=4 6588 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [2,0,0,0,0,0|2,0,0]=4 6589 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [2,0,0,0,0,0|2,0,0]=4 6590 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 6591 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [2,0,0,0,0,0|2,0,0]=4 6592 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [2,0,0,0,0,0|2,0,0]=4 6593 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [2,0,0,0,0,0|2,0,0]=4 6594 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [2,0,0,0,0,0|2,0,0]=4 6595 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 6596 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 6597 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [2,0,0,0,0,0|2,0,0]=4 6598 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [2,0,0,0,0,0|2,0,0]=4 6599 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [2,0,0,0,0,0|2,0,0]=4 6600 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [2,0,0,0,0,0|0,0,2]=4 6601 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [2,0,0,0,0,0|0,0,2]=4 6602 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [2,0,0,0,0,0|0,0,2]=4 6603 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [2,0,0,0,0,0|0,0,2]=4 6604 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [2,0,0,0,0,0|0,0,2]=4 6605 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [2,0,0,0,0,0|0,0,2]=4 6606 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [2,0,0,0,0,0|0,0,2]=4 6607 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [2,0,0,0,0,0|0,0,2]=4 6608 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [2,0,0,0,0,0|0,0,2]=4 6609 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [2,0,0,0,0,0|1,0,1]=4 6610 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [2,0,0,0,0,0|1,0,1]=4 6611 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [2,0,0,0,0,0|1,0,0]=3 6612 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [2,0,0,0,0,0|1,0,0]=3 6613 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [2,0,0,0,0,0|1,0,0]=3 6614 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [2,0,0,0,0,0|1,0,0]=3 6615 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [2,0,0,0,0,0|1,0,0]=3 6616 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [2,0,0,0,0,0|1,0,0]=3 6617 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [2,0,0,0,0,0|2,0,0]=4 6618 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [2,0,0,0,0,0|2,0,0]=4 6619 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [2,0,0,0,0,0|2,0,0]=4 6620 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [2,0,0,0,0,0|2,0,0]=4 6621 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [2,0,0,0,0,0|2,0,0]=4 6622 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [2,0,0,0,0,0|2,0,0]=4 6623 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [2,0,0,0,0,0|2,0,0]=4 6624 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [2,0,0,0,0,0|2,0,0]=4 6625 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [2,0,0,0,0,0|2,0,0]=4 6626 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [2,0,0,0,0,0|2,0,0]=4 6627 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [2,0,0,0,0,0|2,0,0]=4 6628 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [2,0,0,0,0,0|2,0,0]=4 6629 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 6630 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 6631 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 6632 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 6633 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 6634 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 6635 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [2,0,0,0,0,0|2,0,0]=4 6636 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [2,0,0,0,0,0|2,0,0]=4 6637 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 6638 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 6639 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 6640 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 6641 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 6642 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 6643 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 6644 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 6645 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 6646 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 6647 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 6648 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [2,0,0,0,0,0|1,0,0]=3 6649 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [2,0,0,0,0,0|1,0,0]=3 6650 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [2,0,0,0,0,0|0,0,2]=4 6651 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [2,0,0,0,0,0|0,0,2]=4 6652 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|0,0,0]=2 6653 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|0,0,0]=2 6654 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [2,0,0,0,0,0|1,0,0]=3 6655 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [2,0,0,0,0,0|1,0,0]=3 6656 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [2,0,0,0,0,0|1,0,0]=3 6657 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 6658 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 6659 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 6660 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [2,0,0,0,0,0|2,0,0]=4 6661 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [2,0,0,0,0,0|2,0,0]=4 6662 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [2,0,0,0,0,0|2,0,0]=4 6663 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [2,0,0,0,0,0|2,0,0]=4 6664 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 6665 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 6666 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 6667 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 6668 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 6669 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 6670 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [2,0,0,0,0,0|2,0,0]=4 6671 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 6672 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 6673 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 6674 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 6675 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [2,0,0,0,0,0|2,0,0]=4 6676 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [2,0,0,0,0,0|1,0,1]=4 6677 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [2,0,0,0,0,0|1,0,1]=4 6678 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [2,0,0,0,0,0|1,0,1]=4 6679 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [2,0,0,0,0,0|2,0,0]=4 6680 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [2,0,0,0,0,0|2,0,0]=4 6681 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [2,0,0,0,0,0|1,0,0]=3 6682 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [2,0,0,0,0,0|1,0,0]=3 6683 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [2,0,0,0,0,0|2,0,0]=4 6684 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [2,0,0,0,0,0|2,0,0]=4 6685 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 6686 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 6687 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [2,0,0,0,0,0|2,0,0]=4 6688 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [2,0,0,0,0,0|2,0,0]=4 6689 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 6690 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [2,0,0,0,0,0|2,0,0]=4 6691 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [2,0,0,0,0,0|1,0,0]=3 6692 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [2,0,0,0,0,0|1,0,0]=3 6693 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [2,0,0,0,0,0|1,0,0]=3 6694 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [2,0,0,0,0,0|2,0,0]=4 6695 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [2,0,0,0,0,0|2,0,0]=4 6696 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 6697 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 6698 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 6699 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [2,0,0,0,0,0|2,0,0]=4 6700 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [2,0,0,0,0,0|2,0,0]=4 6701 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [2,0,0,0,0,0|2,0,0]=4 6702 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [2,0,0,0,0,0|2,0,0]=4 6703 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 6704 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [2,0,0,0,0,0|2,0,0]=4 6705 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 6706 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [2,0,0,0,0,0|2,0,0]=4 6707 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [2,0,0,0,0,0|1,0,0]=3 6708 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [2,0,0,0,0,0|1,0,0]=3 6709 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [2,0,0,0,0,0|2,0,0]=4 6710 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [2,0,0,0,0,0|2,0,0]=4 6711 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [2,0,0,0,0,0|2,0,0]=4 6712 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 6713 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 6714 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [2,0,0,0,0,0|2,0,0]=4 6715 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [2,0,0,0,0,0|2,0,0]=4 6716 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 6717 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [2,0,0,0,0,0|2,0,0]=4 6718 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [2,0,0,0,0,0|1,0,0]=3 6719 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [2,0,0,0,0,0|1,0,0]=3 6720 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [2,0,0,0,0,0|2,0,0]=4 6721 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [2,0,0,0,0,0|2,0,0]=4 6722 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [2,0,0,0,0,0|2,0,0]=4 6723 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 6724 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 6725 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 6726 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [2,0,0,0,0,0|2,0,0]=4 6727 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [2,0,0,0,0,0|2,0,0]=4 6728 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [2,0,0,0,0,0|2,0,0]=4 6729 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [2,0,0,0,0,0|2,0,0]=4 6730 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [2,0,0,0,0,0|2,0,0]=4 6731 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [2,0,0,0,0,0|2,0,0]=4 6732 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 6733 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 6734 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [2,0,0,0,0,0|2,0,0]=4 6735 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 6736 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 6737 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [2,0,0,0,0,0|2,0,0]=4 6738 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 6739 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [2,0,0,0,0,0|2,0,0]=4 6740 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 6741 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 6742 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 6743 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [2,0,0,0,0,0|2,0,0]=4 6744 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [2,0,0,0,0,0|2,0,0]=4 6745 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [2,0,0,0,0,0|2,0,0]=4 6746 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [2,0,0,0,0,0|2,0,0]=4 6747 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [2,0,0,0,0,0|2,0,0]=4 6748 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [2,0,0,0,0,0|2,0,0]=4 6749 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [2,0,0,0,0,0|2,0,0]=4 6750 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [2,0,0,0,0,0|2,0,0]=4 6751 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [2,0,0,0,0,0|2,0,0]=4 6752 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 6753 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 6754 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 6755 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [2,0,0,0,0,0|2,0,0]=4 6756 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 6757 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [2,0,0,0,0,0|2,0,0]=4 6758 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [2,0,0,0,0,0|2,0,0]=4 6759 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [2,0,0,0,0,0|2,0,0]=4 6760 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [2,0,0,0,0,0|2,0,0]=4 6761 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [2,0,0,0,0,0|2,0,0]=4 6762 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [2,0,0,0,0,0|2,0,0]=4 6763 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [2,0,0,0,0,0|2,0,0]=4 6764 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [2,0,0,0,0,0|2,0,0]=4 6765 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [2,0,0,0,0,0|2,0,0]=4 6766 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [2,0,0,0,0,0|2,0,0]=4 6767 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [2,0,0,0,0,0|2,0,0]=4 6768 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [2,0,0,0,0,0|2,0,0]=4 6769 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [2,0,0,0,0,0|2,0,0]=4 6770 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [2,0,0,0,0,0|2,0,0]=4 6771 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [2,0,0,0,0,0|2,0,0]=4 6772 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [2,0,0,0,0,0|2,0,0]=4 6773 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [2,0,0,0,0,0|2,0,0]=4 6774 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [2,0,0,0,0,0|2,0,0]=4 6775 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [2,0,0,0,0,0|2,0,0]=4 6776 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|2,0,0]=4 6777 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|2,0,0]=4 6778 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [2,0,0,0,0,0|2,0,0]=4 6779 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [2,0,0,0,0,0|2,0,0]=4 6780 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [2,0,0,0,0,0|2,0,0]=4 6781 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [2,0,0,0,0,0|2,0,0]=4 6782 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [2,0,0,0,0,0|2,0,0]=4 6783 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [2,0,0,0,0,0|2,0,0]=4 6784 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [2,0,0,0,0,0|1,0,0]=3 6785 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [2,0,0,0,0,0|1,0,0]=3 6786 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [2,0,0,0,0,0|2,0,0]=4 6787 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [2,0,0,0,0,0|2,0,0]=4 6788 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [2,0,0,0,0,0|2,0,0]=4 6789 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [2,0,0,0,0,0|2,0,0]=4 6790 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [2,0,0,0,0,0|2,0,0]=4 6791 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [2,0,0,0,0,0|2,0,0]=4 6792 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [2,0,0,0,0,0|2,0,0]=4 6793 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [2,0,0,0,0,0|2,0,0]=4 6794 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [2,0,0,0,0,0|2,0,0]=4 6795 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [2,0,0,0,0,0|2,0,0]=4 6796 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [2,0,0,0,0,0|1,1,0]=4 6797 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [2,0,0,0,0,0|1,1,0]=4 6798 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [2,0,0,0,0,0|1,1,0]=4 6799 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [2,0,0,0,0,0|1,1,0]=4 6800 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [2,0,0,0,0,0|1,0,1]=4 6801 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [2,0,0,0,0,0|1,0,1]=4 6802 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|1,0,0]=3 6803 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|1,0,0]=3 6804 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|1,0,0]=3 6805 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 6806 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 6807 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 6808 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [2,0,0,0,0,0|1,0,0]=3 6809 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [2,0,0,0,0,0|1,0,1]=4 6810 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [2,0,0,0,0,0|1,0,1]=4 6811 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [2,0,0,0,0,0|1,0,1]=4 6812 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [2,0,0,0,0,0|2,0,0]=4 6813 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,0,0,0,0,0|2,0,0]=4 6814 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,0,0,0,0,0|2,0,0]=4 6815 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,0,0,0,0,0|2,0,0]=4 6816 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,0,0,0,0,0|2,0,0]=4 6817 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [2,0,0,0,0,0|2,0,0]=4 6818 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [2,0,0,0,0,0|2,0,0]=4 6819 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|2,0,0]=4 6820 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|2,0,0]=4 6821 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|2,0,0]=4 6822 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [2,0,0,0,0,0|1,0,0]=3 6823 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|2,0,0]=4 6824 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|2,0,0]=4 6825 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [2,0,0,0,0,0|1,0,0]=3 6826 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [2,0,0,0,0,0|1,0,0]=3 6827 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [2,0,0,0,0,0|2,0,0]=4 6828 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [2,0,0,0,0,0|2,0,0]=4 6829 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,0,0,0,0,0|2,0,0]=4 6830 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,0,0,0,0,0|2,0,0]=4 6831 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,0,0,0,0,0|2,0,0]=4 6832 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,0,0,0,0,0|2,0,0]=4 6833 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 6834 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [2,0,0,0,0,0|2,0,0]=4 6835 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 6836 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [2,0,0,0,0,0|2,0,0]=4 6837 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [2,0,0,0,0,0|2,0,0]=4 6838 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [2,0,0,0,0,0|1,0,0]=3 6839 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [2,0,0,0,0,0|2,0,0]=4 6840 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [2,0,0,0,0,0|2,0,0]=4 6841 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [2,0,0,0,0,0|2,0,0]=4 6842 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [2,0,0,0,0,0|2,0,0]=4 6843 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 6844 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 6845 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 6846 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [2,0,0,0,0,0|2,0,0]=4 6847 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [2,0,0,0,0,0|2,0,0]=4 6848 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [2,0,0,0,0,0|2,0,0]=4 6849 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [2,0,0,0,0,0|1,0,0]=3 6850 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [2,0,0,0,0,0|1,0,0]=3 6851 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [2,0,0,0,0,0|2,0,0]=4 6852 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [2,0,0,0,0,0|2,0,0]=4 6853 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [2,0,0,0,0,0|2,0,0]=4 6854 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [2,0,0,0,0,0|2,0,0]=4 6855 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [2,0,0,0,0,0|2,0,0]=4 6856 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [2,0,0,0,0,0|1,0,0]=3 6857 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [2,0,0,0,0,0|1,0,0]=3 6858 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [2,0,0,0,0,0|1,1,0]=4 6859 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [2,0,0,0,0,0|1,1,0]=4 6860 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [2,0,0,0,0,0|1,1,0]=4 6861 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [2,0,0,0,0,0|1,1,0]=4 6862 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [2,0,0,0,0,0|1,1,0]=4 6863 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [2,0,0,0,0,0|1,1,0]=4 6864 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [2,0,0,0,0,0|2,0,0]=4 6865 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [2,0,0,0,0,0|2,0,0]=4 6866 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 6867 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 6868 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [2,0,0,0,0,0|2,0,0]=4 6869 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [2,0,0,0,0,0|2,0,0]=4 6870 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [2,0,0,0,0,0|1,0,0]=3 6871 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [2,0,0,0,0,0|1,1,0]=4 6872 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [2,0,0,0,0,0|1,1,0]=4 6873 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [2,0,0,0,0,0|2,0,0]=4 6874 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [2,0,0,0,0,0|2,0,0]=4 6875 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [2,0,0,0,0,0|2,0,0]=4 6876 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [2,0,0,0,0,0|2,0,0]=4 6877 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 6878 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 6879 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 6880 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [2,0,0,0,0,0|2,0,0]=4 6881 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [2,0,0,0,0,0|1,0,0]=3 6882 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [2,0,0,0,0,0|1,0,0]=3 6883 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [2,0,0,0,0,0|1,1,0]=4 6884 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [2,0,0,0,0,0|1,1,0]=4 6885 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [2,0,0,0,0,0|1,1,0]=4 6886 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [2,0,0,0,0,0|1,1,0]=4 6887 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [2,0,0,0,0,0|2,0,0]=4 6888 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [2,0,0,0,0,0|2,0,0]=4 6889 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|2,0,0]=4 6890 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100000748435_100000184674 [1,1,0,0,0,0|0,0,2]=4 6891 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100011220946_100011216630 [1,1,0,0,0,0|0,0,2]=4 6892 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [1,1,0,0,0,0|0,0,1]=3 6893 B10R0.2 C=C(CCC)CC(=O)CCF 1458a_100000138376_100011217306 [1,1,0,0,0,0|1,0,1]=4 6894 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [1,1,0,0,0,0|1,0,1]=4 6895 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [1,1,0,0,0,0|1,0,1]=4 6896 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [1,1,0,0,0,0|1,0,1]=4 6897 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [1,1,0,0,0,0|1,0,1]=4 6898 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [1,1,0,0,0,0|0,0,2]=4 6899 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [1,1,0,0,0,0|0,0,2]=4 6900 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [1,1,0,0,0,0|0,0,2]=4 6901 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [1,1,0,0,0,0|0,0,2]=4 6902 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [1,1,0,0,0,0|0,0,2]=4 6903 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [1,1,0,0,0,0|0,0,1]=3 6904 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [1,1,0,0,0,0|1,0,1]=4 6905 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [1,1,0,0,0,0|1,0,1]=4 6906 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [1,1,0,0,0,0|1,0,1]=4 6907 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [1,1,0,0,0,0|1,0,1]=4 6908 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [1,1,0,0,0,0|1,0,1]=4 6909 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [1,1,0,0,0,0|1,0,1]=4 6910 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [1,1,0,0,0,0|0,0,0]=2 6911 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [1,1,0,0,0,0|0,0,0]=2 6912 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [1,1,0,0,0,0|1,0,0]=3 6913 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [1,1,0,0,0,0|1,0,0]=3 6914 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [1,1,0,0,0,0|1,0,0]=3 6915 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [1,1,0,0,0,0|2,0,0]=4 6916 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [1,1,0,0,0,0|2,0,0]=4 6917 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [1,1,0,0,0,0|1,0,0]=3 6918 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 6919 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 6920 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 6921 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 6922 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [1,1,0,0,0,0|2,0,0]=4 6923 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [1,1,0,0,0,0|2,0,0]=4 6924 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 6925 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 6926 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 6927 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 6928 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100000748435_100011214920 [1,1,0,0,0,0|1,0,1]=4 6929 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100051588842_100011216630 [1,1,0,0,0,0|1,0,1]=4 6930 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [1,1,0,0,0,0|1,0,0]=3 6931 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [1,1,0,0,0,0|1,0,0]=3 6932 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [1,1,0,0,0,0|1,0,0]=3 6933 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [1,1,0,0,0,0|1,0,0]=3 6934 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [1,1,0,0,0,0|1,0,0]=3 6935 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [1,1,0,0,0,0|1,0,0]=3 6936 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [1,1,0,0,0,0|1,0,0]=3 6937 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [1,1,0,0,0,0|1,0,0]=3 6938 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [1,1,0,0,0,0|2,0,0]=4 6939 B10R0.2 CCCC(C)CN(C)CCC 2230a_100000747261_100011216630 [1,1,0,0,0,0|2,0,0]=4 6940 B10R0.2 CCCC(C)CN(C)CCC 269982a_100000747261_100011216630 [1,1,0,0,0,0|2,0,0]=4 6941 B10R0.2 CCCC(C)CN(C)CCC 270004a_100000747261_100000243154 [1,1,0,0,0,0|2,0,0]=4 6942 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [1,1,0,0,0,0|2,0,0]=4 6943 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 6944 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 6945 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 6946 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 6947 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 6948 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 6949 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 6950 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 6951 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 6952 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [1,1,0,0,0,0|2,0,0]=4 6953 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 6954 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 6955 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [1,1,0,0,0,0|2,0,0]=4 6956 B10R0.2 CCCC(C)OC(C)CCC 34a_100000764384_100000766640 [1,1,0,0,0,0|1,0,1]=4 6957 B10R0.2 CCCC(C)OC(C)CCC 7a_100000764384_100000766640 [1,1,0,0,0,0|1,0,1]=4 6958 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [1,1,0,0,0,0|2,0,0]=4 6959 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [1,1,0,0,0,0|2,0,0]=4 6960 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [1,1,0,0,0,0|2,0,0]=4 6961 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [1,1,0,0,0,0|2,0,0]=4 6962 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [1,1,0,0,0,0|2,0,0]=4 6963 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [1,1,0,0,0,0|2,0,0]=4 6964 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [1,1,0,0,0,0|2,0,0]=4 6965 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [1,1,0,0,0,0|2,0,0]=4 6966 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [1,1,0,0,0,0|2,0,0]=4 6967 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [1,1,0,0,0,0|2,0,0]=4 6968 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [1,1,0,0,0,0|2,0,0]=4 6969 B10R0.2 CCCS(=O)CC(=O)CCF 1458a_100011387404_100011217306 [1,1,0,0,0,0|2,0,0]=4 6970 B10R0.2 CCCS(=O)CC(=O)CCO 1458a_100011387404_100000211926 [1,1,0,0,0,0|2,0,0]=4 6971 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [1,1,0,0,0,0|2,0,0]=4 6972 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [1,1,0,0,0,0|2,0,0]=4 6973 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [1,1,0,0,0,0|2,0,0]=4 6974 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [1,1,0,0,0,0|2,0,0]=4 6975 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [1,1,0,0,0,0|2,0,0]=4 6976 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [1,1,0,0,0,0|2,0,0]=4 6977 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [1,1,0,0,0,0|2,0,0]=4 6978 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [1,1,0,0,0,0|2,0,0]=4 6979 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [1,1,0,0,0,0|2,0,0]=4 6980 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [1,1,0,0,0,0|2,0,0]=4 6981 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [1,1,0,0,0,0|2,0,0]=4 6982 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [1,1,0,0,0,0|2,0,0]=4 6983 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [1,1,0,0,0,0|2,0,0]=4 6984 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [1,1,0,0,0,0|2,0,0]=4 6985 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [1,1,0,0,0,0|2,0,0]=4 6986 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [1,1,0,0,0,0|2,0,0]=4 6987 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [1,1,0,0,0,0|2,0,0]=4 6988 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [1,1,0,0,0,0|2,0,0]=4 6989 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [1,1,0,0,0,0|2,0,0]=4 6990 B10R0.2 CCSC(C)CC(=O)CCF 1458a_200011311441_100011217306 [1,1,0,0,0,0|2,0,0]=4 6991 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [1,1,0,0,0,0|2,0,0]=4 6992 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011216857_100000184674 [1,1,0,0,0,0|0,0,2]=4 6993 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011220946_100011214892 [1,1,0,0,0,0|0,0,2]=4 6994 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [1,1,0,0,0,0|0,0,2]=4 6995 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [1,1,0,0,0,0|1,0,1]=4 6996 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [1,1,0,0,0,0|1,0,1]=4 6997 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [1,1,0,0,0,0|0,0,2]=4 6998 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [1,1,0,0,0,0|0,0,2]=4 6999 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [1,1,0,0,0,0|0,0,2]=4 7000 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [1,1,0,0,0,0|0,0,2]=4 7001 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [1,1,0,0,0,0|0,0,2]=4 7002 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [1,1,0,0,0,0|1,0,1]=4 7003 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100011216857_100011214920 [1,1,0,0,0,0|1,0,1]=4 7004 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100051588842_100011214892 [1,1,0,0,0,0|1,0,1]=4 7005 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [1,1,0,0,0,0|1,0,0]=3 7006 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [1,1,0,0,0,0|1,0,0]=3 7007 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [1,1,0,0,0,0|1,0,0]=3 7008 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [1,1,0,0,0,0|2,0,0]=4 7009 B10R0.3 CC(C)COCC(=O)CCF 1458a_100011223364_100011217306 [1,1,0,0,0,0|2,0,0]=4 7010 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [1,1,0,0,0,0|2,0,0]=4 7011 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [1,1,0,0,0,0|2,0,0]=4 7012 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [1,1,0,0,0,0|2,0,0]=4 7013 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [1,1,0,0,0,0|1,0,1]=4 7014 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [1,1,0,0,0,0|1,0,0]=3 7015 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [1,1,0,0,0,0|2,0,0]=4 7016 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [1,1,0,0,0,0|0,0,2]=4 7017 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [1,1,0,0,0,0|0,0,2]=4 7018 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [1,1,0,0,0,0|0,0,2]=4 7019 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [1,1,0,0,0,0|0,0,2]=4 7020 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [1,1,0,0,0,0|0,0,1]=3 7021 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [1,1,0,0,0,0|1,0,1]=4 7022 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [1,1,0,0,0,0|0,0,0]=2 7023 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [1,1,0,0,0,0|0,0,0]=2 7024 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [1,1,0,0,0,0|0,0,0]=2 7025 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [1,1,0,0,0,0|1,0,0]=3 7026 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [1,1,0,0,0,0|2,0,0]=4 7027 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [1,1,0,0,0,0|1,0,1]=4 7028 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [1,1,0,0,0,0|1,0,1]=4 7029 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [1,1,0,0,0,0|1,0,1]=4 7030 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [1,1,0,0,0,0|1,0,0]=3 7031 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [1,1,0,0,0,0|1,0,1]=4 7032 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [1,1,0,0,0,0|1,0,0]=3 7033 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [1,1,0,0,0,0|1,0,0]=3 7034 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [1,1,0,0,0,0|1,0,0]=3 7035 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [1,1,0,0,0,0|1,0,0]=3 7036 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [1,1,0,0,0,0|1,0,0]=3 7037 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [1,1,0,0,0,0|1,0,0]=3 7038 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [1,1,0,0,0,0|1,0,0]=3 7039 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [1,1,0,0,0,0|1,0,0]=3 7040 B10R0.3 CCCC(=O)CSCC(F)F 62a_100000747444_100011934356 [1,1,0,0,0,0|2,0,0]=4 7041 B10R0.3 CCCC(=O)CSCC(F)F 62a_100011934356_100000747444 [1,1,0,0,0,0|2,0,0]=4 7042 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [1,1,0,0,0,0|1,0,0]=3 7043 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [1,1,0,0,0,0|1,0,0]=3 7044 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [1,1,0,0,0,0|1,0,0]=3 7045 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [1,1,0,0,0,0|1,0,0]=3 7046 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [1,1,0,0,0,0|1,0,0]=3 7047 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [1,1,0,0,0,0|1,0,0]=3 7048 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [1,1,0,0,0,0|1,0,0]=3 7049 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [1,1,0,0,0,0|1,0,0]=3 7050 B10R0.3 CCCC(=O)NCCN(C)C 240690a_100000210585_100000211992 [1,1,0,0,0,0|2,0,0]=4 7051 B10R0.3 CCCC(=O)NCCN(C)C 527a_100000210585_100000211992 [1,1,0,0,0,0|2,0,0]=4 7052 B10R0.3 CCCC(=O)NNCC(C)C 22a_100000696102_100000211992 [1,1,0,0,0,0|2,0,0]=4 7053 B10R0.3 CCCC(=O)NNCC(C)O 22a_200000730056_100000211992 [1,1,0,0,0,0|2,0,0]=4 7054 B10R0.3 CCCC(=O)OCNC(C)C 2230a_100138425928_100000034017 [1,1,0,0,0,0|1,0,0]=3 7055 B10R0.3 CCCC(=O)OCNC(C)C 34a_100138425928_100000034017 [1,1,0,0,0,0|1,0,0]=3 7056 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [1,1,0,0,0,0|1,0,0]=3 7057 B10R0.3 CCCC(=O)OCSC(C)C 62a_100000210206_100000034017 [1,1,0,0,0,0|1,0,0]=3 7058 B10R0.3 CCCC(C)OCCC(C)Br 34a_100009893172_100000766640 [1,1,0,0,0,0|1,0,1]=4 7059 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [1,1,0,0,0,0|1,0,1]=4 7060 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [1,1,0,0,0,0|1,0,1]=4 7061 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [1,1,0,0,0,0|1,0,1]=4 7062 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [1,1,0,0,0,0|1,0,1]=4 7063 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [1,1,0,0,0,0|1,0,1]=4 7064 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [1,1,0,0,0,0|1,0,1]=4 7065 B10R0.3 CCCC(C)OCC[C@@H](C)N 34a_100000706166_100000766640 [1,1,0,0,0,0|1,0,1]=4 7066 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [1,1,0,0,0,0|2,0,0]=4 7067 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [1,1,0,0,0,0|2,0,0]=4 7068 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [1,1,0,0,0,0|2,0,0]=4 7069 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [1,1,0,0,0,0|2,0,0]=4 7070 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [1,1,0,0,0,0|1,0,1]=4 7071 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [1,1,0,0,0,0|1,0,1]=4 7072 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [1,1,0,0,0,0|1,0,0]=3 7073 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [1,1,0,0,0,0|1,0,0]=3 7074 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [1,1,0,0,0,0|1,0,0]=3 7075 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [1,1,0,0,0,0|1,0,0]=3 7076 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [1,1,0,0,0,0|2,0,0]=4 7077 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [1,1,0,0,0,0|2,0,0]=4 7078 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [1,1,0,0,0,0|2,0,0]=4 7079 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [1,1,0,0,0,0|2,0,0]=4 7080 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [1,1,0,0,0,0|2,0,0]=4 7081 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [1,1,0,0,0,0|2,0,0]=4 7082 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [1,1,0,0,0,0|2,0,0]=4 7083 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [1,1,0,0,0,0|2,0,0]=4 7084 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [1,1,0,0,0,0|2,0,0]=4 7085 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [1,1,0,0,0,0|2,0,0]=4 7086 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [1,1,0,0,0,0|2,0,0]=4 7087 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [1,1,0,0,0,0|2,0,0]=4 7088 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [1,1,0,0,0,0|2,0,0]=4 7089 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [1,1,0,0,0,0|2,0,0]=4 7090 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [1,1,0,0,0,0|2,0,0]=4 7091 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 7092 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 7093 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [1,1,0,0,0,0|2,0,0]=4 7094 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 7095 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [1,1,0,0,0,0|2,0,0]=4 7096 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [1,1,0,0,0,0|2,0,0]=4 7097 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [1,1,0,0,0,0|2,0,0]=4 7098 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [1,1,0,0,0,0|2,0,0]=4 7099 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [1,1,0,0,0,0|2,0,0]=4 7100 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [1,1,0,0,0,0|2,0,0]=4 7101 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [1,1,0,0,0,0|2,0,0]=4 7102 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [1,1,0,0,0,0|2,0,0]=4 7103 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [1,1,0,0,0,0|2,0,0]=4 7104 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [1,1,0,0,0,0|2,0,0]=4 7105 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [1,1,0,0,0,0|2,0,0]=4 7106 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [1,1,0,0,0,0|2,0,0]=4 7107 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [1,1,0,0,0,0|2,0,0]=4 7108 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [1,1,0,0,0,0|2,0,0]=4 7109 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [1,1,0,0,0,0|2,0,0]=4 7110 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [1,1,0,0,0,0|2,0,0]=4 7111 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [1,1,0,0,0,0|2,0,0]=4 7112 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [1,1,0,0,0,0|2,0,0]=4 7113 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [1,1,0,0,0,0|2,0,0]=4 7114 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [1,1,0,0,0,0|1,0,1]=4 7115 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [1,1,0,0,0,0|1,0,1]=4 7116 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [1,1,0,0,0,0|1,0,1]=4 7117 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [1,1,0,0,0,0|2,0,0]=4 7118 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [1,1,0,0,0,0|2,0,0]=4 7119 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [1,1,0,0,0,0|2,0,0]=4 7120 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [1,1,0,0,0,0|2,0,0]=4 7121 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [1,1,0,0,0,0|2,0,0]=4 7122 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [1,1,0,0,0,0|2,0,0]=4 7123 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [1,1,0,0,0,0|2,0,0]=4 7124 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [1,1,0,0,0,0|2,0,0]=4 7125 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [1,1,0,0,0,0|2,0,0]=4 7126 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [1,1,0,0,0,0|2,0,0]=4 7127 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [1,1,0,0,0,0|2,0,0]=4 7128 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [1,1,0,0,0,0|2,0,0]=4 7129 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [1,1,0,0,0,0|2,0,0]=4 7130 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [1,1,0,0,0,0|2,0,0]=4 7131 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [1,1,0,0,0,0|2,0,0]=4 7132 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [1,1,0,0,0,0|2,0,0]=4 7133 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [1,1,0,0,0,0|2,0,0]=4 7134 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [1,1,0,0,0,0|2,0,0]=4 7135 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [1,1,0,0,0,0|2,0,0]=4 7136 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [1,1,0,0,0,0|2,0,0]=4 7137 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [1,1,0,0,0,0|2,0,0]=4 7138 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [1,1,0,0,0,0|2,0,0]=4 7139 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [1,1,0,0,0,0|2,0,0]=4 7140 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [1,1,0,0,0,0|2,0,0]=4 7141 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [1,1,0,0,0,0|2,0,0]=4 7142 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [1,1,0,0,0,0|2,0,0]=4 7143 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [1,1,0,0,0,0|1,0,1]=4 7144 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [1,1,0,0,0,0|1,0,0]=3 7145 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [1,1,0,0,0,0|1,0,0]=3 7146 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [1,1,0,0,0,0|2,0,0]=4 7147 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [1,1,0,0,0,0|2,0,0]=4 7148 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [1,1,0,0,0,0|2,0,0]=4 7149 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [1,1,0,0,0,0|2,0,0]=4 7150 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [1,1,0,0,0,0|2,0,0]=4 7151 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [1,1,0,0,0,0|2,0,0]=4 7152 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [1,1,0,0,0,0|2,0,0]=4 7153 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [1,1,0,0,0,0|2,0,0]=4 7154 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [1,1,0,0,0,0|2,0,0]=4 7155 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [1,1,0,0,0,0|1,0,1]=4 7156 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [1,1,0,0,0,0|1,0,0]=3 7157 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [1,1,0,0,0,0|1,0,0]=3 7158 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [1,1,0,0,0,0|2,0,0]=4 7159 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [1,1,0,0,0,0|2,0,0]=4 7160 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [1,1,0,0,0,0|2,0,0]=4 7161 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [1,1,0,0,0,0|2,0,0]=4 7162 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [1,1,0,0,0,0|2,0,0]=4 7163 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [1,1,0,0,0,0|2,0,0]=4 7164 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [1,1,0,0,0,0|2,0,0]=4 7165 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [1,1,0,0,0,0|2,0,0]=4 7166 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [1,1,0,0,0,0|2,0,0]=4 7167 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000210554_100000731252 [1,1,0,0,0,0|0,0,2]=4 7168 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000690238_100000210624 [1,1,0,0,0,0|0,0,2]=4 7169 B10R0.6 C#CCCCC(=O)CC(C)O 1458a_100000690238_100011218427 [1,1,0,0,0,0|0,0,2]=4 7170 B10R0.6 C#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000731252 [1,1,0,0,0,0|0,0,2]=4 7171 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [1,1,0,0,0,0|0,0,1]=3 7172 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [1,1,0,0,0,0|1,0,1]=4 7173 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [1,1,0,0,0,0|1,0,1]=4 7174 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [1,1,0,0,0,0|1,0,1]=4 7175 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [1,1,0,0,0,0|1,0,1]=4 7176 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [1,1,0,0,0,0|1,0,1]=4 7177 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [1,1,0,0,0,0|1,0,1]=4 7178 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [1,1,0,0,0,0|1,0,1]=4 7179 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [1,1,0,0,0,0|0,0,2]=4 7180 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000210554_100000757094 [1,1,0,0,0,0|0,0,2]=4 7181 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000766728_100000210624 [1,1,0,0,0,0|0,0,2]=4 7182 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [1,1,0,0,0,0|0,0,2]=4 7183 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [1,1,0,0,0,0|0,0,2]=4 7184 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [1,1,0,0,0,0|1,0,1]=4 7185 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [1,1,0,0,0,0|1,0,1]=4 7186 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000075515_100000210624 [1,1,0,0,0,0|1,0,1]=4 7187 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000210554_100000211468 [1,1,0,0,0,0|1,0,1]=4 7188 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [1,1,0,0,0,0|1,0,0]=3 7189 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [1,1,0,0,0,0|1,0,0]=3 7190 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [1,1,0,0,0,0|1,0,0]=3 7191 B10R0.6 CC(C)CC(=O)COCCO 1458a_100000708028_100000210624 [1,1,0,0,0,0|2,0,0]=4 7192 B10R0.6 CC(C)CC(=O)NCCCF 11a_100015189416_100000210554 [1,1,0,0,0,0|2,0,0]=4 7193 B10R0.6 CC(C)CC(=O)NCCCF 1626a_100015189416_100000210554 [1,1,0,0,0,0|2,0,0]=4 7194 B10R0.6 CC(C)CC(=O)NCCCF 240690a_100015189416_100000210554 [1,1,0,0,0,0|2,0,0]=4 7195 B10R0.6 CC(C)CC(=O)NCCCF 527a_100015189416_100000210554 [1,1,0,0,0,0|2,0,0]=4 7196 B10R0.6 CC(C)CC(=O)NCCCO 240690a_100000182051_100000210554 [1,1,0,0,0,0|2,0,0]=4 7197 B10R0.6 CC(C)CC(=O)NCCCO 527a_100000182051_100000210554 [1,1,0,0,0,0|2,0,0]=4 7198 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [1,1,0,0,0,0|2,0,0]=4 7199 B10R0.6 CC(O)CC(=O)CCCC#N 1458a_100000075515_100011218427 [1,1,0,0,0,0|1,0,1]=4 7200 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [1,1,0,0,0,0|1,0,0]=3 7201 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [1,1,0,0,0,0|2,0,0]=4 7202 B10R0.6 CC/C=C/CC(=O)CC(C)C 1458a_100016274230_100000210624 [1,1,0,0,0,0|0,0,2]=4 7203 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [1,1,0,0,0,0|0,0,2]=4 7204 B10R0.6 CC/C=C\CC(=O)CC(C)C 1458a_100000210554_100103147603 [1,1,0,0,0,0|0,0,2]=4 7205 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [1,1,0,0,0,0|0,0,2]=4 7206 B10R0.6 CCC#CCC(=O)CC(C)C 1458a_100000210554_100009813939 [1,1,0,0,0,0|0,0,2]=4 7207 B10R0.6 CCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009813939 [1,1,0,0,0,0|0,0,2]=4 7208 B10R0.6 CCCC#CC(=O)CC(C)C 1458a_200011218047_100000210624 [1,1,0,0,0,0|0,0,2]=4 7209 B10R0.6 CCCC#CC(=O)CC(C)O 1458a_200011218047_100011218427 [1,1,0,0,0,0|0,0,2]=4 7210 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [1,1,0,0,0,0|0,0,2]=4 7211 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [1,1,0,0,0,0|0,0,2]=4 7212 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [1,1,0,0,0,0|0,0,2]=4 7213 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [1,1,0,0,0,0|0,0,2]=4 7214 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [1,1,0,0,0,0|0,0,2]=4 7215 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,1,0,0,0,0|0,0,1]=3 7216 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [1,1,0,0,0,0|1,0,1]=4 7217 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [1,1,0,0,0,0|1,0,1]=4 7218 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [1,1,0,0,0,0|1,0,1]=4 7219 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [1,1,0,0,0,0|0,0,0]=2 7220 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [1,1,0,0,0,0|0,0,0]=2 7221 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [1,1,0,0,0,0|0,0,0]=2 7222 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [1,1,0,0,0,0|1,0,0]=3 7223 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [1,1,0,0,0,0|1,0,0]=3 7224 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [1,1,0,0,0,0|1,0,0]=3 7225 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [1,1,0,0,0,0|1,0,0]=3 7226 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [1,1,0,0,0,0|0,0,0]=2 7227 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [1,1,0,0,0,0|2,0,0]=4 7228 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [1,1,0,0,0,0|1,0,0]=3 7229 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 7230 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 7231 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 7232 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 7233 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000223495_100000210760 [1,1,0,0,0,0|2,0,0]=4 7234 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000747067_100000210326 [1,1,0,0,0,0|2,0,0]=4 7235 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000223495_100000210624 [1,1,0,0,0,0|2,0,0]=4 7236 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000747067_100000210215 [1,1,0,0,0,0|2,0,0]=4 7237 B10R0.6 CCCCCN(C)CC(C)C 270004a_100000223495_100000210432 [1,1,0,0,0,0|2,0,0]=4 7238 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [1,1,0,0,0,0|2,0,0]=4 7239 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [1,1,0,0,0,0|2,0,0]=4 7240 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [1,1,0,0,0,0|2,0,0]=4 7241 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [1,1,0,0,0,0|2,0,0]=4 7242 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [1,1,0,0,0,0|2,0,0]=4 7243 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [1,1,0,0,0,0|2,0,0]=4 7244 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [1,1,0,0,0,0|1,0,1]=4 7245 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [1,1,0,0,0,0|1,0,0]=3 7246 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [1,1,0,0,0,0|1,0,0]=3 7247 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [1,1,0,0,0,0|1,0,0]=3 7248 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [1,1,0,0,0,0|1,0,0]=3 7249 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [1,1,0,0,0,0|2,0,0]=4 7250 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [1,1,0,0,0,0|2,0,0]=4 7251 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [1,1,0,0,0,0|2,0,0]=4 7252 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [1,1,0,0,0,0|2,0,0]=4 7253 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [1,1,0,0,0,0|2,0,0]=4 7254 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [1,1,0,0,0,0|2,0,0]=4 7255 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [1,1,0,0,0,0|2,0,0]=4 7256 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [1,1,0,0,0,0|2,0,0]=4 7257 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [1,1,0,0,0,0|2,0,0]=4 7258 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [1,1,0,0,0,0|1,0,0]=3 7259 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [1,1,0,0,0,0|2,0,0]=4 7260 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [1,1,0,0,0,0|2,0,0]=4 7261 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [1,1,0,0,0,0|2,0,0]=4 7262 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [1,1,0,0,0,0|2,0,0]=4 7263 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [1,1,0,0,0,0|2,0,0]=4 7264 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [1,1,0,0,0,0|2,0,0]=4 7265 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [1,1,0,0,0,0|2,0,0]=4 7266 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [1,1,0,0,0,0|2,0,0]=4 7267 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [1,1,0,0,0,0|2,0,0]=4 7268 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [1,1,0,0,0,0|0,0,1]=3 7269 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [1,1,0,0,0,0|1,0,0]=3 7270 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [1,1,0,0,0,0|1,0,0]=3 7271 B10R0.6 CCCCOC(C)CC(C)C 34a_100000210227_100000731052 [1,1,0,0,0,0|1,0,1]=4 7272 B10R0.6 CCCCOC(C)CC(C)C 34a_100000211805_100000210210 [1,1,0,0,0,0|1,0,1]=4 7273 B10R0.6 CCCCOC(C)CC(C)C 7a_100000210227_100000731052 [1,1,0,0,0,0|1,0,1]=4 7274 B10R0.6 CCCCOC(C)CC(C)C 7a_100000211805_100000210211 [1,1,0,0,0,0|1,0,1]=4 7275 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [1,1,0,0,0,0|2,0,0]=4 7276 B10R0.6 CCCNNC(=O)CC(C)C 22a_100000740057_100000210554 [1,1,0,0,0,0|2,0,0]=4 7277 B10R0.6 CCCNNC(=O)C[C@@H](C)O 22a_100000740057_100011933948 [1,1,0,0,0,0|2,0,0]=4 7278 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [1,1,0,0,0,0|1,0,0]=3 7279 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [1,1,0,0,0,0|1,0,0]=3 7280 B10R0.6 CCCOCC(=O)CC(F)F 1458a_100000745993_100011934356 [1,1,0,0,0,0|2,0,0]=4 7281 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 7282 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 7283 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 7284 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [1,1,0,0,0,0|2,0,0]=4 7285 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 7286 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [1,1,0,0,0,0|2,0,0]=4 7287 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [1,1,0,0,0,0|1,0,0]=3 7288 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [1,1,0,0,0,0|1,0,0]=3 7289 B10R0.6 CCCSCC(=O)CC(F)F 1458a_100000217233_100011934356 [1,1,0,0,0,0|2,0,0]=4 7290 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 7291 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 7292 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 7293 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 7294 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [1,1,0,0,0,0|2,0,0]=4 7295 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [1,1,0,0,0,0|2,0,0]=4 7296 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [1,1,0,0,0,0|2,0,0]=4 7297 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [1,1,0,0,0,0|2,0,0]=4 7298 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [1,1,0,0,0,0|2,0,0]=4 7299 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [1,1,0,0,0,0|2,0,0]=4 7300 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [1,1,0,0,0,0|1,0,0]=3 7301 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [1,1,0,0,0,0|1,0,0]=3 7302 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [1,1,0,0,0,0|1,0,0]=3 7303 B10R0.6 CCOCCC(=O)CC(F)F 1458a_100000749530_100011934356 [1,1,0,0,0,0|2,0,0]=4 7304 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [1,1,0,0,0,0|2,0,0]=4 7305 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [1,1,0,0,0,0|1,0,0]=3 7306 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [1,1,0,0,0,0|2,0,0]=4 7307 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 7308 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 7309 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 7310 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 7311 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [1,1,0,0,0,0|1,0,0]=3 7312 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [1,1,0,0,0,0|1,0,0]=3 7313 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [1,1,0,0,0,0|1,0,0]=3 7314 B10R0.6 CCSCCC(=O)CC(F)F 1458a_100000230768_100011934356 [1,1,0,0,0,0|2,0,0]=4 7315 B10R0.6 CCSCCC(=O)CN(C)C 1458a_100000750896_100000757381 [1,1,0,0,0,0|2,0,0]=4 7316 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [1,1,0,0,0,0|1,0,0]=3 7317 B10R0.6 CCSCCC(=O)C[S+](C)C 1458a_200159257847_100000757381 [1,1,0,0,0,0|2,0,0]=4 7318 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 7319 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 7320 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 7321 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 7322 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [1,1,0,0,0,0|2,0,0]=4 7323 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [1,1,0,0,0,0|2,0,0]=4 7324 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [1,1,0,0,0,0|2,0,0]=4 7325 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [1,1,0,0,0,0|2,0,0]=4 7326 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [1,1,0,0,0,0|2,0,0]=4 7327 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [1,1,0,0,0,0|2,0,0]=4 7328 B10R0.6 CN(C)CC(=O)CCCCF 1458a_100000750896_100000729493 [1,1,0,0,0,0|2,0,0]=4 7329 B10R0.6 CN(C)CC(=O)CCCCO 1458a_100000750896_100000210776 [1,1,0,0,0,0|2,0,0]=4 7330 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [1,1,0,0,0,0|1,0,1]=4 7331 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [1,1,0,0,0,0|1,0,0]=3 7332 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [1,1,0,0,0,0|1,0,0]=3 7333 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [1,1,0,0,0,0|1,0,0]=3 7334 B10R0.6 COCCCC(=O)CC(F)F 1458a_100000741012_100011934356 [1,1,0,0,0,0|2,0,0]=4 7335 B10R0.6 COCCCC(=O)CN(C)C 1458a_100000750896_100000740836 [1,1,0,0,0,0|2,0,0]=4 7336 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [1,1,0,0,0,0|1,0,0]=3 7337 B10R0.6 COCCCC(=O)C[S+](C)C 1458a_200159257847_100000740836 [1,1,0,0,0,0|2,0,0]=4 7338 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 7339 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 7340 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 7341 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 7342 B10R0.6 COCCNC(=O)CC(C)C 1626a_100000209980_100000210554 [1,1,0,0,0,0|2,0,0]=4 7343 B10R0.6 COCCNC(=O)CC(C)C 240690a_100000209980_100000210554 [1,1,0,0,0,0|2,0,0]=4 7344 B10R0.6 COCCNC(=O)CC(C)C 527a_100000209980_100000210554 [1,1,0,0,0,0|2,0,0]=4 7345 B10R0.6 COCCNC(=O)C[C@@H](C)O 240690a_100000209980_100011933948 [1,1,0,0,0,0|2,0,0]=4 7346 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [1,1,0,0,0,0|1,0,1]=4 7347 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [1,1,0,0,0,0|1,0,1]=4 7348 B10R0.6 COCCOC(=O)CN(C)C 2230a_100102631434_200000040189 [1,1,0,0,0,0|2,0,0]=4 7349 B10R0.6 COCCOC(=O)CN(C)C 269982a_100102631434_200000040189 [1,1,0,0,0,0|2,0,0]=4 7350 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [1,1,0,0,0,0|1,0,0]=3 7351 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [1,1,0,0,0,0|1,0,0]=3 7352 B10R0.6 CSCCCC(=O)CC(F)F 1458a_100000173376_100011934356 [1,1,0,0,0,0|2,0,0]=4 7353 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 7354 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 7355 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 7356 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 7357 B10R0.6 CSCCNC(=O)CC(C)C 11a_100020590264_100000210554 [1,1,0,0,0,0|2,0,0]=4 7358 B10R0.6 CSCCNC(=O)CC(C)C 1626a_100020590264_100000210554 [1,1,0,0,0,0|2,0,0]=4 7359 B10R0.6 CSCCNC(=O)CC(C)C 240690a_100020590264_100000210554 [1,1,0,0,0,0|2,0,0]=4 7360 B10R0.6 CSCCNC(=O)CC(C)C 527a_100020590264_100000210554 [1,1,0,0,0,0|2,0,0]=4 7361 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [1,1,0,0,0,0|2,0,0]=4 7362 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [1,1,0,0,0,0|1,0,1]=4 7363 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [1,1,0,0,0,0|1,0,1]=4 7364 B10R0.6 C[C@@H](O)CC(=O)CCCC#N 1458a_100011933948_100000211468 [1,1,0,0,0,0|1,0,1]=4 7365 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [1,1,0,0,0,0|1,0,0]=3 7366 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [1,1,0,0,0,0|1,0,0]=3 7367 B10R0.6 C[C@@H](O)CC(=O)NCCCF 240690a_100015189416_100011933948 [1,1,0,0,0,0|2,0,0]=4 7368 B10R0.6 C[C@@H](O)CC(=O)NCCCO 240690a_100000182051_100011933948 [1,1,0,0,0,0|2,0,0]=4 7369 B10R0.6 C[S+](C)CC(=O)CCCCF 1458a_200159257847_100000729493 [1,1,0,0,0,0|2,0,0]=4 7370 B10R0.6 C[S+](C)CC(=O)CCCCO 1458a_200159257847_100000210776 [1,1,0,0,0,0|2,0,0]=4 7371 B10R0.6 O=C(CCCCO)CC(F)F 1458a_100000695505_100011934356 [1,1,0,0,0,0|2,0,0]=4 7372 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100000725509_100000184674 [1,1,0,0,0,0|0,0,2]=4 7373 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100011220946_200011215066 [1,1,0,0,0,0|0,0,2]=4 7374 B10R0.19 C#CCC(=O)C(O)CCCC 1458a_100000720857_100000184674 [1,1,0,0,0,0|0,0,2]=4 7375 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [1,1,0,0,0,0|0,0,2]=4 7376 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [1,1,0,0,0,0|0,0,2]=4 7377 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [1,1,0,0,0,0|0,0,2]=4 7378 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [1,1,0,0,0,0|0,0,2]=4 7379 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [1,1,0,0,0,0|0,0,2]=4 7380 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [1,1,0,0,0,0|0,0,2]=4 7381 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [1,1,0,0,0,0|1,0,0]=3 7382 B10R0.19 CCCC(=O)N(C)CCCO 240690a_100000213112_100000211992 [1,1,0,0,0,0|2,0,0]=4 7383 B10R0.19 CCCC(=O)N(C)CCCO 527a_100000213112_100000211992 [1,1,0,0,0,0|2,0,0]=4 7384 B10R0.19 CCCC(=O)N(C)CCOC 11a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 7385 B10R0.19 CCCC(=O)N(C)CCOC 1626a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 7386 B10R0.19 CCCC(=O)N(C)CCOC 240690a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 7387 B10R0.19 CCCC(=O)N(C)CCOC 527a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 7388 B10R0.19 CCCC(=O)N(C)CCSC 11a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 7389 B10R0.19 CCCC(=O)N(C)CCSC 1626a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 7390 B10R0.19 CCCC(=O)N(C)CCSC 240690a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 7391 B10R0.19 CCCC(=O)N(C)CCSC 527a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 7392 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [1,1,0,0,0,0|1,0,1]=4 7393 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100000725509_100011214920 [1,1,0,0,0,0|1,0,1]=4 7394 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100051588842_200011215066 [1,1,0,0,0,0|1,0,1]=4 7395 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [1,1,0,0,0,0|0,0,0]=2 7396 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [1,1,0,0,0,0|0,0,0]=2 7397 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [1,1,0,0,0,0|1,0,0]=3 7398 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [1,1,0,0,0,0|1,0,0]=3 7399 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [1,1,0,0,0,0|1,0,0]=3 7400 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [1,1,0,0,0,0|1,0,0]=3 7401 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [1,1,0,0,0,0|1,0,0]=3 7402 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [1,1,0,0,0,0|1,0,0]=3 7403 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [1,1,0,0,0,0|1,0,0]=3 7404 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [1,1,0,0,0,0|1,0,0]=3 7405 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [1,1,0,0,0,0|2,0,0]=4 7406 B10R0.19 CCCCC(C)N(C)CCC 2230a_100000747261_200011215066 [1,1,0,0,0,0|2,0,0]=4 7407 B10R0.19 CCCCC(C)N(C)CCC 269982a_100000747261_200011215066 [1,1,0,0,0,0|2,0,0]=4 7408 B10R0.19 CCCCC(C)N(C)CCC 270004a_100000747261_100000210087 [1,1,0,0,0,0|2,0,0]=4 7409 B10R0.19 CCCCC(O)C(=O)CC#N 1458a_100000720857_100011214920 [1,1,0,0,0,0|1,0,1]=4 7410 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [1,1,0,0,0,0|0,0,0]=2 7411 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [1,1,0,0,0,0|1,0,0]=3 7412 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [1,1,0,0,0,0|1,0,0]=3 7413 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [1,1,0,0,0,0|1,0,0]=3 7414 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [1,1,0,0,0,0|1,0,0]=3 7415 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [1,1,0,0,0,0|2,0,0]=4 7416 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 7417 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 7418 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 7419 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 7420 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [1,1,0,0,0,0|2,0,0]=4 7421 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [1,1,0,0,0,0|2,0,0]=4 7422 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [1,1,0,0,0,0|2,0,0]=4 7423 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [1,1,0,0,0,0|2,0,0]=4 7424 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 7425 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 7426 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 7427 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [1,1,0,0,0,0|2,0,0]=4 7428 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 7429 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 7430 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 7431 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 7432 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 7433 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [1,1,0,0,0,0|2,0,0]=4 7434 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [1,1,0,0,0,0|2,0,0]=4 7435 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [1,1,0,0,0,0|2,0,0]=4 7436 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [1,1,0,0,0,0|2,0,0]=4 7437 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [1,1,0,0,0,0|2,0,0]=4 7438 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [1,1,0,0,0,0|2,0,0]=4 7439 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [1,1,0,0,0,0|1,0,1]=4 7440 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [1,1,0,0,0,0|2,0,0]=4 7441 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [1,1,0,0,0,0|2,0,0]=4 7442 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [1,1,0,0,0,0|2,0,0]=4 7443 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [1,1,0,0,0,0|2,0,0]=4 7444 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [1,1,0,0,0,0|2,0,0]=4 7445 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [1,1,0,0,0,0|2,0,0]=4 7446 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [1,1,0,0,0,0|2,0,0]=4 7447 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [1,1,0,0,0,0|2,0,0]=4 7448 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [1,1,0,0,0,0|2,0,0]=4 7449 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [1,1,0,0,0,0|2,0,0]=4 7450 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [1,1,0,0,0,0|2,0,0]=4 7451 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [1,1,0,0,0,0|2,0,0]=4 7452 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [1,1,0,0,0,0|2,0,0]=4 7453 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [1,1,0,0,0,0|2,0,0]=4 7454 B10R0.19 CSCCC(O)C(=O)CCF 1458a_100000685904_100011217306 [1,1,0,0,0,0|2,0,0]=4 7455 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [1,1,0,0,0,0|2,0,0]=4 7456 B10R0.24 C#CC(CCC)OCCCC 34a_200011217317_100000210210 [1,1,0,0,0,0|1,0,1]=4 7457 B10R0.24 C#CC(CCC)OCCCC 7a_200011217317_100000210211 [1,1,0,0,0,0|1,0,1]=4 7458 B10R0.24 C=CC(CCC)OCCCC 34a_100011216692_100000210210 [1,1,0,0,0,0|1,0,1]=4 7459 B10R0.24 C=CC(CCC)OCCCC 7a_100011216692_100000210211 [1,1,0,0,0,0|1,0,1]=4 7460 B10R0.24 CCCCCC(CCC)NC 270004a_106832991635_200011216343 [1,1,0,0,0,0|1,0,1]=4 7461 B10R0.24 CCCCCC(CCC)OC 34a_200011215058_200000210301 [1,1,0,0,0,0|0,0,2]=4 7462 B10R0.24 CCCCCC(CCC)OC 7a_200011215058_200000210301 [1,1,0,0,0,0|0,0,2]=4 7463 B10R0.24 CCCCCC(CCC)O[13CH3] 34a_200011215058_200025704644 [1,1,0,0,0,0|0,0,2]=4 7464 B10R0.24 CCCCCC(CCC)O[13CH3] 7a_200011215058_200025704644 [1,1,0,0,0,0|0,0,2]=4 7465 B10R0.24 CCCCCN(CC)CCC 2230a_100000226822_100000210326 [1,1,0,0,0,0|2,0,0]=4 7466 B10R0.24 CCCCCN(CC)CCC 2230a_200000226819_100000210202 [1,1,0,0,0,0|2,0,0]=4 7467 B10R0.24 CCCCCN(CC)CCC 269982a_100000226822_100000210215 [1,1,0,0,0,0|2,0,0]=4 7468 B10R0.24 CCCCCN(CC)CCC 269982a_200000226819_100000204670 [1,1,0,0,0,0|2,0,0]=4 7469 B10R0.24 CCCCCN(CF)CCC 269982a_200000226819_100015361967 [1,1,0,0,0,0|2,0,0]=4 7470 B10R0.24 CCCCOC(C#N)CCC 34a_100000686963_100000210210 [1,1,0,0,0,0|1,0,1]=4 7471 B10R0.24 CCCCOC(C#N)CCC 7a_100000686963_100000210211 [1,1,0,0,0,0|1,0,1]=4 7472 B10R0.24 CCCCOC(CC)CCC 34a_100000687864_100000210210 [1,1,0,0,0,0|1,0,1]=4 7473 B10R0.24 CCCCOC(CC)CCC 7a_100000210227_100011219200 [1,1,0,0,0,0|1,0,1]=4 7474 B10R0.24 CCCCOC(CC)CCC 7a_100000687864_100000210211 [1,1,0,0,0,0|1,0,1]=4 7475 B10R0.83 C#CC(C)C(=O)CCCCC 1458a_100000212188_200000035995 [1,1,0,0,0,0|0,0,2]=4 7476 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100000690238_100000758301 [1,1,0,0,0,0|0,0,2]=4 7477 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100011192722_100000731252 [1,1,0,0,0,0|0,0,2]=4 7478 B10R0.83 C#CCCCC(=O)C(O)CC 1458a_100011196387_100000731252 [1,1,0,0,0,0|0,0,2]=4 7479 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [1,1,0,0,0,0|0,0,2]=4 7480 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [1,1,0,0,0,0|0,0,2]=4 7481 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100000766728_100000758301 [1,1,0,0,0,0|0,0,2]=4 7482 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100011192722_100000757094 [1,1,0,0,0,0|0,0,2]=4 7483 B10R0.83 C=CCCCC(=O)C(O)CC 1458a_100011196387_100000757094 [1,1,0,0,0,0|0,0,2]=4 7484 B10R0.83 CC/C=C/CC(=O)C(C)CC 1458a_100016274230_100000758301 [1,1,0,0,0,0|0,0,2]=4 7485 B10R0.83 CC/C=C\CC(=O)C(C)CC 1458a_100011192722_100103147603 [1,1,0,0,0,0|0,0,2]=4 7486 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [1,1,0,0,0,0|0,0,2]=4 7487 B10R0.83 CCC#CCC(=O)C(C)CC 1458a_100011192722_100009813939 [1,1,0,0,0,0|0,0,2]=4 7488 B10R0.83 CCC#CCC(=O)C(O)CC 1458a_100011196387_100009813939 [1,1,0,0,0,0|0,0,2]=4 7489 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100000075515_100000758301 [1,1,0,0,0,0|1,0,1]=4 7490 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100011192722_100000211468 [1,1,0,0,0,0|1,0,1]=4 7491 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [1,1,0,0,0,0|1,0,0]=3 7492 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [1,1,0,0,0,0|1,0,0]=3 7493 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [1,1,0,0,0,0|1,0,0]=3 7494 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [1,1,0,0,0,0|1,0,0]=3 7495 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [1,1,0,0,0,0|1,0,0]=3 7496 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [1,1,0,0,0,0|1,0,0]=3 7497 B10R0.83 CCC(C)C(=O)COCCO 1458a_100000708028_100000758301 [1,1,0,0,0,0|2,0,0]=4 7498 B10R0.83 CCC(C)C(=O)NCCCF 11a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 7499 B10R0.83 CCC(C)C(=O)NCCCF 1626a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 7500 B10R0.83 CCC(C)C(=O)NCCCF 240690a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 7501 B10R0.83 CCC(C)C(=O)NCCCF 527a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 7502 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [1,1,0,0,0,0|2,0,0]=4 7503 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [1,1,0,0,0,0|2,0,0]=4 7504 B10R0.83 CCC(C)C(=O)NCCOC 1626a_100000209980_100011192722 [1,1,0,0,0,0|2,0,0]=4 7505 B10R0.83 CCC(C)C(=O)NCCOC 240690a_100000209980_100011192722 [1,1,0,0,0,0|2,0,0]=4 7506 B10R0.83 CCC(C)C(=O)NCCOC 527a_100000209980_100011192722 [1,1,0,0,0,0|2,0,0]=4 7507 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 7508 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 7509 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 7510 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 7511 B10R0.83 CCC(O)C(=O)CCCC#N 1458a_100011196387_100000211468 [1,1,0,0,0,0|1,0,1]=4 7512 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [1,1,0,0,0,0|1,0,0]=3 7513 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [1,1,0,0,0,0|1,0,0]=3 7514 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [1,1,0,0,0,0|1,0,0]=3 7515 B10R0.83 CCC(O)C(=O)NCCCF 240690a_100015189416_100011196387 [1,1,0,0,0,0|2,0,0]=4 7516 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [1,1,0,0,0,0|2,0,0]=4 7517 B10R0.83 CCC(O)C(=O)NCCOC 240690a_100000209980_100011196387 [1,1,0,0,0,0|2,0,0]=4 7518 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [1,1,0,0,0,0|2,0,0]=4 7519 B10R0.83 CCCC#CC(=O)C(C)CC 1458a_200011218047_100000758301 [1,1,0,0,0,0|0,0,2]=4 7520 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [1,1,0,0,0,0|0,0,2]=4 7521 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [1,1,0,0,0,0|1,0,1]=4 7522 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000212188_100000703298 [1,1,0,0,0,0|1,0,1]=4 7523 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000753662_100000210326 [1,1,0,0,0,0|1,0,1]=4 7524 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [1,1,0,0,0,0|0,0,0]=2 7525 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [1,1,0,0,0,0|0,0,0]=2 7526 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [1,1,0,0,0,0|1,0,0]=3 7527 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [1,1,0,0,0,0|1,0,0]=3 7528 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [1,1,0,0,0,0|0,0,0]=2 7529 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [1,1,0,0,0,0|1,0,0]=3 7530 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 7531 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 7532 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 7533 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 7534 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000223495_100000758301 [1,1,0,0,0,0|2,0,0]=4 7535 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000741768_100000210326 [1,1,0,0,0,0|2,0,0]=4 7536 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000223495_100000758301 [1,1,0,0,0,0|2,0,0]=4 7537 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000741768_100000210215 [1,1,0,0,0,0|2,0,0]=4 7538 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 7539 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 7540 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 7541 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 7542 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [1,1,0,0,0,0|2,0,0]=4 7543 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [1,1,0,0,0,0|2,0,0]=4 7544 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [1,1,0,0,0,0|2,0,0]=4 7545 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 7546 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 7547 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 7548 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [1,1,0,0,0,0|2,0,0]=4 7549 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 7550 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 7551 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 7552 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 7553 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 7554 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [1,1,0,0,0,0|2,0,0]=4 7555 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [1,1,0,0,0,0|2,0,0]=4 7556 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [1,1,0,0,0,0|2,0,0]=4 7557 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [1,1,0,0,0,0|2,0,0]=4 7558 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [1,1,0,0,0,0|1,0,0]=3 7559 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [1,1,0,0,0,0|2,0,0]=4 7560 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [1,1,0,0,0,0|2,0,0]=4 7561 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [1,1,0,0,0,0|2,0,0]=4 7562 B10R0.83 CCCCOC(=O)C(C)NC 2230a_106832991635_100000759602 [1,1,0,0,0,0|1,0,0]=3 7563 B10R0.83 CCCCOC(=O)C(C)NC 34a_100102657272_100000759602 [1,1,0,0,0,0|1,0,0]=3 7564 B10R0.83 CCCCOC(=O)C(C)NC 7a_106832991635_100000759602 [1,1,0,0,0,0|1,0,0]=3 7565 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [1,1,0,0,0,0|1,0,0]=3 7566 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [1,1,0,0,0,0|1,0,0]=3 7567 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [1,1,0,0,0,0|1,0,0]=3 7568 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [1,1,0,0,0,0|1,0,0]=3 7569 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [1,1,0,0,0,0|1,0,0]=3 7570 B10R0.83 CCCCOC(=O)C(C)SC 62a_100000759602_200000210301 [1,1,0,0,0,0|1,0,0]=3 7571 B10R0.83 CCCCOC(=O)C(C)SC 62a_200000210301_100000759602 [1,1,0,0,0,0|1,0,0]=3 7572 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_100000759602_200025704644 [1,1,0,0,0,0|1,0,0]=3 7573 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000759602 [1,1,0,0,0,0|1,0,0]=3 7574 B10R0.83 CCCCOC(C)C(C)CC 7a_100011215189_100000210211 [1,1,0,0,0,0|1,0,1]=4 7575 B10R0.83 CCCNNC(=O)C(C)CC 22a_100000740057_100011192722 [1,1,0,0,0,0|2,0,0]=4 7576 B10R0.83 CCCNNC(=O)C(O)CC 22a_100000740057_100011196387 [1,1,0,0,0,0|2,0,0]=4 7577 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [1,1,0,0,0,0|1,0,0]=3 7578 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 7579 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 7580 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 7581 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [1,1,0,0,0,0|2,0,0]=4 7582 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 7583 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [1,1,0,0,0,0|1,0,0]=3 7584 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 7585 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 7586 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 7587 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 7588 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [1,1,0,0,0,0|2,0,0]=4 7589 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [1,1,0,0,0,0|2,0,0]=4 7590 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [1,1,0,0,0,0|2,0,0]=4 7591 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 7592 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 7593 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 7594 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 7595 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 7596 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 7597 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 7598 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 7599 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [1,1,0,0,0,0|1,0,0]=3 7600 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [1,1,0,0,0,0|1,0,0]=3 7601 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [1,1,0,0,0,0|2,0,0]=4 7602 B10R0.83 CCOCCC(=O)C(C)SC 1458a_100000149566_100011215890 [1,1,0,0,0,0|2,0,0]=4 7603 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [1,1,0,0,0,0|1,0,0]=3 7604 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [1,1,0,0,0,0|2,0,0]=4 7605 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 7606 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 7607 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 7608 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 7609 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [1,1,0,0,0,0|1,0,0]=3 7610 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [1,1,0,0,0,0|1,0,0]=3 7611 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [1,1,0,0,0,0|2,0,0]=4 7612 B10R0.83 CCSCCC(=O)C(C)SC 1458a_100000149566_100000757381 [1,1,0,0,0,0|2,0,0]=4 7613 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [1,1,0,0,0,0|1,0,0]=3 7614 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [1,1,0,0,0,0|2,0,0]=4 7615 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 7616 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 7617 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 7618 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 7619 B10R0.83 COC(C)C(=O)CCCCF 1458a_100000743197_100000729493 [1,1,0,0,0,0|2,0,0]=4 7620 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [1,1,0,0,0,0|2,0,0]=4 7621 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [1,1,0,0,0,0|2,0,0]=4 7622 B10R0.83 COCCCC(=O)C(C)SC 1458a_100000149566_100000740836 [1,1,0,0,0,0|2,0,0]=4 7623 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [1,1,0,0,0,0|2,0,0]=4 7624 B10R0.83 CSC(C)C(=O)CCCCF 1458a_100000149566_100000729493 [1,1,0,0,0,0|2,0,0]=4 7625 B10R0.83 CSC(C)C(=O)CCCCO 1458a_100000149566_100000210776 [1,1,0,0,0,0|2,0,0]=4 7626 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [1,1,0,0,0,0|2,0,0]=4 7627 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [1,1,0,0,0,0|2,0,0]=4 7628 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [1,1,0,0,0,0|0,0,1]=3 7629 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [1,1,0,0,0,0|0,0,1]=3 7630 B10R0.91 C#CCCC(=O)CCCCF 1458a_100000692101_100000729493 [1,1,0,0,0,0|1,0,1]=4 7631 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000692101_100000210776 [1,1,0,0,0,0|1,0,1]=4 7632 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000695505_100000753159 [1,1,0,0,0,0|1,0,1]=4 7633 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000692101_100000740836 [1,1,0,0,0,0|1,0,1]=4 7634 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000741012_100000753159 [1,1,0,0,0,0|1,0,1]=4 7635 B10R0.91 C#CCCC(=O)CCCSC 1458a_100000173376_100000753159 [1,1,0,0,0,0|1,0,1]=4 7636 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000692101_100011215890 [1,1,0,0,0,0|1,0,1]=4 7637 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000749530_100000753159 [1,1,0,0,0,0|1,0,1]=4 7638 B10R0.91 C#CCCC(=O)CCOCC 34a_100011064465_100000210202 [1,1,0,0,0,0|1,0,1]=4 7639 B10R0.91 C#CCCC(=O)CCOCC 7a_100011064465_100000210202 [1,1,0,0,0,0|1,0,1]=4 7640 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000230768_100000753159 [1,1,0,0,0,0|1,0,1]=4 7641 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000692101_100000757381 [1,1,0,0,0,0|1,0,1]=4 7642 B10R0.91 C#CCCC(=O)COCCC 1458a_100000745993_100000753159 [1,1,0,0,0,0|1,0,1]=4 7643 B10R0.91 C#CCCC(=O)CSCCC 1458a_100000217233_100000753159 [1,1,0,0,0,0|1,0,1]=4 7644 B10R0.91 C#CCCC(=O)NCCCC 11a_100000102301_100000692101 [1,1,0,0,0,0|1,0,1]=4 7645 B10R0.91 C#CCCC(=O)NCCCC 1626a_100000102301_100000692101 [1,1,0,0,0,0|1,0,1]=4 7646 B10R0.91 C#CCCC(=O)NCCCC 240690a_100000102301_100000692101 [1,1,0,0,0,0|1,0,1]=4 7647 B10R0.91 C#CCCC(=O)NCCCC 527a_100000102301_100000692101 [1,1,0,0,0,0|1,0,1]=4 7648 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [1,1,0,0,0,0|0,0,2]=4 7649 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [1,1,0,0,0,0|0,0,2]=4 7650 B10R0.91 C#CCCCC(=O)CCCF 1458a_100000690238_100011934791 [1,1,0,0,0,0|0,0,2]=4 7651 B10R0.91 C#CCCCC(=O)CCCO 1458a_100000690238_100011215043 [1,1,0,0,0,0|0,0,2]=4 7652 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000690238_100000233755 [1,1,0,0,0,0|0,0,2]=4 7653 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000749529_100000731252 [1,1,0,0,0,0|0,0,2]=4 7654 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000174002_100000731252 [1,1,0,0,0,0|0,0,2]=4 7655 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000690238_100000751147 [1,1,0,0,0,0|0,0,2]=4 7656 B10R0.91 C#CCCCC(=O)COCC 1458a_100000211967_100000731252 [1,1,0,0,0,0|0,0,2]=4 7657 B10R0.91 C#CCCCC(=O)CSCC 1458a_100000230394_100000731252 [1,1,0,0,0,0|0,0,2]=4 7658 B10R0.91 C#CCCCC(=O)NCCC 11a_100020643023_100000690238 [1,1,0,0,0,0|0,0,2]=4 7659 B10R0.91 C#CCCCC(=O)NCCC 1626a_100020643023_100000690238 [1,1,0,0,0,0|0,0,2]=4 7660 B10R0.91 C#CCCCC(=O)NCCC 240690a_100020643023_100000690238 [1,1,0,0,0,0|0,0,2]=4 7661 B10R0.91 C#CCCCC(=O)NCCC 527a_100020643023_100000690238 [1,1,0,0,0,0|0,0,2]=4 7662 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [1,1,0,0,0,0|0,0,2]=4 7663 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [1,1,0,0,0,0|0,0,2]=4 7664 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [1,1,0,0,0,0|0,0,2]=4 7665 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [1,1,0,0,0,0|0,0,2]=4 7666 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,1,0,0,0,0|0,0,1]=3 7667 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [1,1,0,0,0,0|1,0,1]=4 7668 B10R0.91 C/C=C/CC(=O)CCCOC 1458a_100000741012_100102629194 [1,1,0,0,0,0|1,0,1]=4 7669 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [1,1,0,0,0,0|1,0,1]=4 7670 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [1,1,0,0,0,0|1,0,1]=4 7671 B10R0.91 C/C=C/CC(=O)CCSCC 1458a_100000230768_100102629194 [1,1,0,0,0,0|1,0,1]=4 7672 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [1,1,0,0,0,0|1,0,1]=4 7673 B10R0.91 C/C=C/CC(=O)CSCCC 1458a_100000217233_100102629194 [1,1,0,0,0,0|1,0,1]=4 7674 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [1,1,0,0,0,0|0,0,1]=3 7675 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [1,1,0,0,0,0|0,0,1]=3 7676 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [1,1,0,0,0,0|1,0,1]=4 7677 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [1,1,0,0,0,0|1,0,1]=4 7678 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [1,1,0,0,0,0|1,0,1]=4 7679 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [1,1,0,0,0,0|1,0,1]=4 7680 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [1,1,0,0,0,0|1,0,1]=4 7681 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [1,1,0,0,0,0|1,0,1]=4 7682 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [1,1,0,0,0,0|1,0,1]=4 7683 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [1,1,0,0,0,0|1,0,1]=4 7684 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [1,1,0,0,0,0|1,0,1]=4 7685 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [1,1,0,0,0,0|1,0,1]=4 7686 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [1,1,0,0,0,0|1,0,1]=4 7687 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [1,1,0,0,0,0|1,0,1]=4 7688 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 7689 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 7690 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 7691 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [1,1,0,0,0,0|1,0,1]=4 7692 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [1,1,0,0,0,0|0,0,2]=4 7693 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [1,1,0,0,0,0|0,0,2]=4 7694 B10R0.91 C=CCCCC(=O)CCCF 1458a_100000766728_100011934791 [1,1,0,0,0,0|0,0,2]=4 7695 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [1,1,0,0,0,0|0,0,2]=4 7696 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [1,1,0,0,0,0|0,0,2]=4 7697 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [1,1,0,0,0,0|0,0,2]=4 7698 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [1,1,0,0,0,0|0,0,2]=4 7699 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [1,1,0,0,0,0|0,0,2]=4 7700 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [1,1,0,0,0,0|0,0,2]=4 7701 B10R0.91 C=CCCCC(=O)CSCC 1458a_100000230394_100000757094 [1,1,0,0,0,0|0,0,2]=4 7702 B10R0.91 C=CCCCC(=O)NCCC 11a_100020643023_100000766728 [1,1,0,0,0,0|0,0,2]=4 7703 B10R0.91 C=CCCCC(=O)NCCC 1626a_100020643023_100000766728 [1,1,0,0,0,0|0,0,2]=4 7704 B10R0.91 C=CCCCC(=O)NCCC 240690a_100020643023_100000766728 [1,1,0,0,0,0|0,0,2]=4 7705 B10R0.91 C=CCCCC(=O)NCCC 527a_100020643023_100000766728 [1,1,0,0,0,0|0,0,2]=4 7706 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [1,1,0,0,0,0|0,0,2]=4 7707 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [1,1,0,0,0,0|0,0,2]=4 7708 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [1,1,0,0,0,0|0,0,2]=4 7709 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [1,1,0,0,0,0|0,0,1]=3 7710 B10R0.91 CC#CCC(=O)CCCCO 1458a_100000695505_100000748600 [1,1,0,0,0,0|1,0,1]=4 7711 B10R0.91 CC#CCC(=O)CCCOC 1458a_100000741012_100000748600 [1,1,0,0,0,0|1,0,1]=4 7712 B10R0.91 CC#CCC(=O)CCCSC 1458a_100000173376_100000748600 [1,1,0,0,0,0|1,0,1]=4 7713 B10R0.91 CC#CCC(=O)CCOCC 1458a_100000749530_100000748600 [1,1,0,0,0,0|1,0,1]=4 7714 B10R0.91 CC#CCC(=O)CCSCC 1458a_100000230768_100000748600 [1,1,0,0,0,0|1,0,1]=4 7715 B10R0.91 CC#CCC(=O)COCCC 1458a_100000745993_100000748600 [1,1,0,0,0,0|1,0,1]=4 7716 B10R0.91 CC#CCC(=O)CSCCC 1458a_100000217233_100000748600 [1,1,0,0,0,0|1,0,1]=4 7717 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [1,1,0,0,0,0|0,0,2]=4 7718 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [1,1,0,0,0,0|0,0,2]=4 7719 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [1,1,0,0,0,0|0,0,2]=4 7720 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [1,1,0,0,0,0|0,0,2]=4 7721 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [1,1,0,0,0,0|0,0,2]=4 7722 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [1,1,0,0,0,0|0,0,2]=4 7723 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [1,1,0,0,0,0|0,0,2]=4 7724 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [1,1,0,0,0,0|0,0,2]=4 7725 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [1,1,0,0,0,0|0,0,2]=4 7726 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [1,1,0,0,0,0|0,0,2]=4 7727 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [1,1,0,0,0,0|0,0,2]=4 7728 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [1,1,0,0,0,0|0,0,2]=4 7729 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [1,1,0,0,0,0|0,0,2]=4 7730 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [1,1,0,0,0,0|0,0,2]=4 7731 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,1,0,0,0,0|0,0,1]=3 7732 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,1,0,0,0,0|0,0,1]=3 7733 B10R0.91 CC=CCC(=O)CCCCF 1458a_100121576822_100000729493 [1,1,0,0,0,0|1,0,1]=4 7734 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [1,1,0,0,0,0|1,0,1]=4 7735 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [1,1,0,0,0,0|1,0,1]=4 7736 B10R0.91 CC=CCC(=O)CCCOC 1458a_100000741012_100000070051 [1,1,0,0,0,0|1,0,1]=4 7737 B10R0.91 CC=CCC(=O)CCCOC 1458a_100121576822_100000740836 [1,1,0,0,0,0|1,0,1]=4 7738 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [1,1,0,0,0,0|1,0,1]=4 7739 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [1,1,0,0,0,0|1,0,1]=4 7740 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [1,1,0,0,0,0|1,0,1]=4 7741 B10R0.91 CC=CCC(=O)CCSCC 1458a_100000230768_100000070051 [1,1,0,0,0,0|1,0,1]=4 7742 B10R0.91 CC=CCC(=O)CCSCC 1458a_100121576822_100000757381 [1,1,0,0,0,0|1,0,1]=4 7743 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [1,1,0,0,0,0|1,0,1]=4 7744 B10R0.91 CC=CCC(=O)CSCCC 1458a_100000217233_100000070051 [1,1,0,0,0,0|1,0,1]=4 7745 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 7746 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 7747 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 7748 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [1,1,0,0,0,0|1,0,1]=4 7749 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [1,1,0,0,0,0|1,0,1]=4 7750 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [1,1,0,0,0,0|0,0,1]=3 7751 B10R0.91 CCC#CC(=O)CCCCF 1458a_100011827653_100000729493 [1,1,0,0,0,0|1,0,1]=4 7752 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [1,1,0,0,0,0|1,0,1]=4 7753 B10R0.91 CCC#CC(=O)CCCOC 1458a_100011827653_100000740836 [1,1,0,0,0,0|1,0,1]=4 7754 B10R0.91 CCC#CC(=O)CCOCC 1458a_100011827653_100011215890 [1,1,0,0,0,0|1,0,1]=4 7755 B10R0.91 CCC#CC(=O)CCSCC 1458a_100011827653_100000757381 [1,1,0,0,0,0|1,0,1]=4 7756 B10R0.91 CCC#CCC(=O)CCCC 1458a_100000210183_100009813939 [1,1,0,0,0,0|0,0,2]=4 7757 B10R0.91 CCC#CCC(=O)CCOC 1458a_100000749529_100009813939 [1,1,0,0,0,0|0,0,2]=4 7758 B10R0.91 CCC#CCC(=O)CCSC 1458a_100000174002_100009813939 [1,1,0,0,0,0|0,0,2]=4 7759 B10R0.91 CCC#CCC(=O)COCC 1458a_100000211967_100009813939 [1,1,0,0,0,0|0,0,2]=4 7760 B10R0.91 CCC#CCC(=O)CSCC 1458a_100000230394_100009813939 [1,1,0,0,0,0|0,0,2]=4 7761 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [1,1,0,0,0,0|0,0,1]=3 7762 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [1,1,0,0,0,0|1,0,1]=4 7763 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [1,1,0,0,0,0|1,0,1]=4 7764 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [1,1,0,0,0,0|1,0,1]=4 7765 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [1,1,0,0,0,0|1,0,1]=4 7766 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [1,1,0,0,0,0|1,0,1]=4 7767 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [1,1,0,0,0,0|1,0,1]=4 7768 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [1,1,0,0,0,0|1,0,1]=4 7769 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [1,1,0,0,0,0|1,0,1]=4 7770 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [1,1,0,0,0,0|0,0,2]=4 7771 B10R0.91 CCCC#CC(=O)CCCF 1458a_200011218047_100011934791 [1,1,0,0,0,0|0,0,2]=4 7772 B10R0.91 CCCC#CC(=O)CCCO 1458a_200011218047_100011215043 [1,1,0,0,0,0|0,0,2]=4 7773 B10R0.91 CCCC#CC(=O)CCOC 1458a_200011218047_100000233755 [1,1,0,0,0,0|0,0,2]=4 7774 B10R0.91 CCCC#CC(=O)CCSC 1458a_200011218047_100000751147 [1,1,0,0,0,0|0,0,2]=4 7775 B10R0.91 CCCC#CC(=O)NCCC 240690a_100020643023_200011218047 [1,1,0,0,0,0|0,0,2]=4 7776 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [1,1,0,0,0,0|0,0,2]=4 7777 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [1,1,0,0,0,0|0,0,2]=4 7778 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [1,1,0,0,0,0|0,0,2]=4 7779 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [1,1,0,0,0,0|0,0,2]=4 7780 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [1,1,0,0,0,0|0,0,2]=4 7781 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [1,1,0,0,0,0|0,0,2]=4 7782 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [1,1,0,0,0,0|0,0,2]=4 7783 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [1,1,0,0,0,0|0,0,2]=4 7784 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [1,1,0,0,0,0|1,0,1]=4 7785 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [1,1,0,0,0,0|1,0,1]=4 7786 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [1,1,0,0,0,0|1,0,0]=3 7787 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [1,1,0,0,0,0|1,0,0]=3 7788 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [1,1,0,0,0,0|1,0,0]=3 7789 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [1,1,0,0,0,0|1,0,0]=3 7790 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [1,1,0,0,0,0|1,0,0]=3 7791 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [1,1,0,0,0,0|1,0,0]=3 7792 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [1,1,0,0,0,0|1,0,0]=3 7793 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [1,1,0,0,0,0|1,0,0]=3 7794 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [1,1,0,0,0,0|1,0,0]=3 7795 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [1,1,0,0,0,0|1,0,0]=3 7796 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [1,1,0,0,0,0|1,0,0]=3 7797 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [1,1,0,0,0,0|2,0,0]=4 7798 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [1,1,0,0,0,0|1,0,0]=3 7799 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [1,1,0,0,0,0|2,0,0]=4 7800 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [1,1,0,0,0,0|2,0,0]=4 7801 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [1,1,0,0,0,0|2,0,0]=4 7802 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [1,1,0,0,0,0|2,0,0]=4 7803 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [1,1,0,0,0,0|2,0,0]=4 7804 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [1,1,0,0,0,0|2,0,0]=4 7805 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [1,1,0,0,0,0|2,0,0]=4 7806 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [1,1,0,0,0,0|2,0,0]=4 7807 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [1,1,0,0,0,0|2,0,0]=4 7808 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [1,1,0,0,0,0|2,0,0]=4 7809 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [1,1,0,0,0,0|2,0,0]=4 7810 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [1,1,0,0,0,0|2,0,0]=4 7811 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [1,1,0,0,0,0|2,0,0]=4 7812 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [1,1,0,0,0,0|2,0,0]=4 7813 B10R0.91 CCCCCC(=NNCC)C 4a_100000756455_100000211708 [1,1,0,0,0,0|2,0,0]=4 7814 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [1,1,0,0,0,0|0,0,2]=4 7815 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [1,1,0,0,0,0|0,0,2]=4 7816 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [1,1,0,0,0,0|0,0,1]=3 7817 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [1,1,0,0,0,0|0,0,1]=3 7818 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,1,0,0,0,0|0,0,0]=2 7819 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,1,0,0,0,0|0,0,0]=2 7820 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [1,1,0,0,0,0|0,0,0]=2 7821 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,1,0,0,0,0|0,0,0]=2 7822 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,1,0,0,0,0|0,0,0]=2 7823 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,1,0,0,0,0|0,0,0]=2 7824 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [1,1,0,0,0,0|0,0,0]=2 7825 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [1,1,0,0,0,0|0,0,0]=2 7826 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [1,1,0,0,0,0|0,0,0]=2 7827 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,1,0,0,0,0|0,0,0]=2 7828 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,1,0,0,0,0|0,0,0]=2 7829 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [1,1,0,0,0,0|0,0,0]=2 7830 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [1,1,0,0,0,0|0,0,0]=2 7831 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [1,1,0,0,0,0|0,0,0]=2 7832 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [1,1,0,0,0,0|1,0,0]=3 7833 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [1,1,0,0,0,0|1,0,0]=3 7834 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [1,1,0,0,0,0|1,0,1]=4 7835 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [1,1,0,0,0,0|1,0,1]=4 7836 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [1,1,0,0,0,0|0,0,0]=2 7837 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [1,1,0,0,0,0|0,0,0]=2 7838 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [1,1,0,0,0,0|0,0,0]=2 7839 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [1,1,0,0,0,0|0,0,0]=2 7840 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [1,1,0,0,0,0|1,0,0]=3 7841 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [1,1,0,0,0,0|1,0,0]=3 7842 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [1,1,0,0,0,0|1,0,0]=3 7843 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [1,1,0,0,0,0|1,0,0]=3 7844 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [1,1,0,0,0,0|1,0,0]=3 7845 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [1,1,0,0,0,0|1,0,0]=3 7846 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [1,1,0,0,0,0|1,0,0]=3 7847 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [1,1,0,0,0,0|1,0,1]=4 7848 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [1,1,0,0,0,0|1,0,1]=4 7849 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [1,1,0,0,0,0|1,0,1]=4 7850 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [1,1,0,0,0,0|1,0,1]=4 7851 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [1,1,0,0,0,0|1,0,1]=4 7852 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [1,1,0,0,0,0|1,0,1]=4 7853 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [1,1,0,0,0,0|1,0,1]=4 7854 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [1,1,0,0,0,0|2,0,0]=4 7855 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [1,1,0,0,0,0|2,0,0]=4 7856 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [1,1,0,0,0,0|2,0,0]=4 7857 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [1,1,0,0,0,0|2,0,0]=4 7858 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [1,1,0,0,0,0|2,0,0]=4 7859 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [1,1,0,0,0,0|2,0,0]=4 7860 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [1,1,0,0,0,0|2,0,0]=4 7861 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [1,1,0,0,0,0|2,0,0]=4 7862 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [1,1,0,0,0,0|2,0,0]=4 7863 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [1,1,0,0,0,0|2,0,0]=4 7864 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [1,1,0,0,0,0|2,0,0]=4 7865 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [1,1,0,0,0,0|2,0,0]=4 7866 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [1,1,0,0,0,0|2,0,0]=4 7867 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [1,1,0,0,0,0|2,0,0]=4 7868 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [1,1,0,0,0,0|2,0,0]=4 7869 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [1,1,0,0,0,0|2,0,0]=4 7870 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [1,1,0,0,0,0|2,0,0]=4 7871 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [1,1,0,0,0,0|2,0,0]=4 7872 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [1,1,0,0,0,0|2,0,0]=4 7873 B10R0.91 CCCCNC(=O)CCC#N 11a_100000102301_100011934036 [1,1,0,0,0,0|1,0,1]=4 7874 B10R0.91 CCCCNC(=O)CCC#N 1626a_100000102301_100011934036 [1,1,0,0,0,0|1,0,1]=4 7875 B10R0.91 CCCCNC(=O)CCC#N 240690a_100000102301_100011934036 [1,1,0,0,0,0|1,0,1]=4 7876 B10R0.91 CCCCNC(=O)CCC#N 527a_100000102301_100011934036 [1,1,0,0,0,0|1,0,1]=4 7877 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [1,1,0,0,0,0|1,0,0]=3 7878 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [1,1,0,0,0,0|1,0,0]=3 7879 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [1,1,0,0,0,0|1,0,0]=3 7880 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [1,1,0,0,0,0|1,0,0]=3 7881 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [1,1,0,0,0,0|1,0,0]=3 7882 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [1,1,0,0,0,0|1,0,0]=3 7883 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [1,1,0,0,0,0|1,0,0]=3 7884 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [1,1,0,0,0,0|1,0,0]=3 7885 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [1,1,0,0,0,0|1,0,0]=3 7886 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [1,1,0,0,0,0|1,0,0]=3 7887 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [1,1,0,0,0,0|1,0,0]=3 7888 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [1,1,0,0,0,0|1,0,0]=3 7889 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [1,1,0,0,0,0|1,0,0]=3 7890 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 7891 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 7892 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 7893 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [1,1,0,0,0,0|1,0,0]=3 7894 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 7895 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [1,1,0,0,0,0|1,0,0]=3 7896 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [1,1,0,0,0,0|1,0,0]=3 7897 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [1,1,0,0,0,0|1,0,0]=3 7898 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [1,1,0,0,0,0|1,0,0]=3 7899 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [1,1,0,0,0,0|1,0,0]=3 7900 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [1,1,0,0,0,0|1,0,0]=3 7901 B10R0.91 CCCCNC(=O)CSCF 62a_100000182744_100015361967 [1,1,0,0,0,0|2,0,0]=4 7902 B10R0.91 CCCCNC(=O)CSCF 62a_100015361967_100000182744 [1,1,0,0,0,0|2,0,0]=4 7903 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [1,1,0,0,0,0|1,0,0]=3 7904 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [1,1,0,0,0,0|1,0,0]=3 7905 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [1,1,0,0,0,0|1,0,0]=3 7906 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [1,1,0,0,0,0|1,0,0]=3 7907 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [1,1,0,0,0,0|1,0,0]=3 7908 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [1,1,0,0,0,0|1,0,0]=3 7909 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 7910 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 7911 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [1,1,0,0,0,0|2,0,0]=4 7912 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 7913 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 7914 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 7915 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [1,1,0,0,0,0|2,0,0]=4 7916 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 7917 B10R0.91 CCCCNC(=O)NNCC 273464a_100000102301_100000756455 [1,1,0,0,0,0|2,0,0]=4 7918 B10R0.91 CCCCNC(=O)NNCC 512a_100000102301_100000756455 [1,1,0,0,0,0|2,0,0]=4 7919 B10R0.91 CCCCNC(=O)NNCC 512a_100000756455_100000102301 [1,1,0,0,0,0|2,0,0]=4 7920 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [1,1,0,0,0,0|0,0,0]=2 7921 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [1,1,0,0,0,0|0,0,0]=2 7922 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [1,1,0,0,0,0|0,0,0]=2 7923 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [1,1,0,0,0,0|0,0,0]=2 7924 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [1,1,0,0,0,0|1,0,0]=3 7925 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [1,1,0,0,0,0|1,0,0]=3 7926 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [1,1,0,0,0,0|1,0,1]=4 7927 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [1,1,0,0,0,0|1,0,1]=4 7928 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [1,1,0,0,0,0|1,0,1]=4 7929 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [1,1,0,0,0,0|1,0,1]=4 7930 B10R0.91 CCCCOC(C)CCCCl 34a_200000718107_100000210210 [1,1,0,0,0,0|1,0,1]=4 7931 B10R0.91 CCCCOC(C)CCCCl 7a_200000718107_100000210211 [1,1,0,0,0,0|1,0,1]=4 7932 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [1,1,0,0,0,0|1,0,1]=4 7933 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [1,1,0,0,0,0|1,0,1]=4 7934 B10R0.91 CCCNC(=O)CCCC#N 11a_100020643023_100000075515 [1,1,0,0,0,0|1,0,1]=4 7935 B10R0.91 CCCNC(=O)CCCC#N 1626a_100020643023_100000075515 [1,1,0,0,0,0|1,0,1]=4 7936 B10R0.91 CCCNC(=O)CCCC#N 240690a_100020643023_100000075515 [1,1,0,0,0,0|1,0,1]=4 7937 B10R0.91 CCCNC(=O)CCCC#N 527a_100020643023_100000075515 [1,1,0,0,0,0|1,0,1]=4 7938 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [1,1,0,0,0,0|1,0,0]=3 7939 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [1,1,0,0,0,0|1,0,0]=3 7940 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [1,1,0,0,0,0|1,0,0]=3 7941 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [1,1,0,0,0,0|1,0,0]=3 7942 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [1,1,0,0,0,0|1,0,0]=3 7943 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [1,1,0,0,0,0|1,0,0]=3 7944 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [1,1,0,0,0,0|1,0,0]=3 7945 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [1,1,0,0,0,0|1,0,0]=3 7946 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [1,1,0,0,0,0|1,0,0]=3 7947 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [1,1,0,0,0,0|1,0,0]=3 7948 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [1,1,0,0,0,0|1,0,0]=3 7949 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [1,1,0,0,0,0|1,0,0]=3 7950 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [1,1,0,0,0,0|1,0,0]=3 7951 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [1,1,0,0,0,0|1,0,0]=3 7952 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [1,1,0,0,0,0|1,0,0]=3 7953 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [1,1,0,0,0,0|1,0,0]=3 7954 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [1,1,0,0,0,0|1,0,0]=3 7955 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [1,1,0,0,0,0|1,0,0]=3 7956 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [1,1,0,0,0,0|1,0,0]=3 7957 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [1,1,0,0,0,0|1,0,0]=3 7958 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [1,1,0,0,0,0|1,0,0]=3 7959 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [1,1,0,0,0,0|1,0,0]=3 7960 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [1,1,0,0,0,0|1,0,0]=3 7961 B10R0.91 CCCNC(=O)CNCCF 2230a_100000174927_100011217306 [1,1,0,0,0,0|2,0,0]=4 7962 B10R0.91 CCCNC(=O)CNCCF 34a_100000724931_100000183358 [1,1,0,0,0,0|2,0,0]=4 7963 B10R0.91 CCCNC(=O)CNCCO 2230a_100000174927_100000211926 [1,1,0,0,0,0|2,0,0]=4 7964 B10R0.91 CCCNC(=O)CNCCO 2230a_100016997473_100000183358 [1,1,0,0,0,0|2,0,0]=4 7965 B10R0.91 CCCNC(=O)CNCCO 34a_100016990907_100000183358 [1,1,0,0,0,0|2,0,0]=4 7966 B10R0.91 CCCNC(=O)CNCOC 2230a_100000174927_100000766300 [1,1,0,0,0,0|2,0,0]=4 7967 B10R0.91 CCCNC(=O)CNCSC 2230a_100000174927_100011218213 [1,1,0,0,0,0|2,0,0]=4 7968 B10R0.91 CCCNC(=O)COCCBr 34a_100000211926_100000183358 [1,1,0,0,0,0|2,0,0]=4 7969 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [1,1,0,0,0,0|1,0,0]=3 7970 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [1,1,0,0,0,0|1,0,0]=3 7971 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [1,1,0,0,0,0|1,0,0]=3 7972 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [1,1,0,0,0,0|1,0,0]=3 7973 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [1,1,0,0,0,0|1,0,0]=3 7974 B10R0.91 CCCNC(=O)COCCN 34a_100000210304_100000183358 [1,1,0,0,0,0|2,0,0]=4 7975 B10R0.91 CCCNC(=O)COCCO 1626a_100020643023_100000708028 [1,1,0,0,0,0|2,0,0]=4 7976 B10R0.91 CCCNC(=O)COCCO 240690a_100020643023_100000708028 [1,1,0,0,0,0|2,0,0]=4 7977 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [1,1,0,0,0,0|1,0,0]=3 7978 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [1,1,0,0,0,0|1,0,0]=3 7979 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [1,1,0,0,0,0|1,0,0]=3 7980 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [1,1,0,0,0,0|1,0,0]=3 7981 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [1,1,0,0,0,0|1,0,0]=3 7982 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [1,1,0,0,0,0|1,0,0]=3 7983 B10R0.91 CCCNC(=O)CSCCF 62a_100000183358_100011217306 [1,1,0,0,0,0|2,0,0]=4 7984 B10R0.91 CCCNC(=O)CSCCF 62a_100011217306_100000183358 [1,1,0,0,0,0|2,0,0]=4 7985 B10R0.91 CCCNC(=O)CSCCO 62a_100000183358_100000211926 [1,1,0,0,0,0|2,0,0]=4 7986 B10R0.91 CCCNC(=O)CSCCO 62a_100000211926_100000183358 [1,1,0,0,0,0|2,0,0]=4 7987 B10R0.91 CCCNC(=O)CSCOC 62a_100000183358_100000766300 [1,1,0,0,0,0|2,0,0]=4 7988 B10R0.91 CCCNC(=O)CSCOC 62a_100000766300_100000183358 [1,1,0,0,0,0|2,0,0]=4 7989 B10R0.91 CCCNC(=O)CSCSC 62a_100000183358_100011218213 [1,1,0,0,0,0|2,0,0]=4 7990 B10R0.91 CCCNC(=O)CSCSC 62a_100011218213_100000183358 [1,1,0,0,0,0|2,0,0]=4 7991 B10R0.91 CCCNC(=O)NCCCF 2708a_100015189416_100020643023 [1,1,0,0,0,0|2,0,0]=4 7992 B10R0.91 CCCNC(=O)NCCCF 2708a_100020643023_100015189416 [1,1,0,0,0,0|2,0,0]=4 7993 B10R0.91 CCCNC(=O)NCCCF 273464a_100015189416_100020643023 [1,1,0,0,0,0|2,0,0]=4 7994 B10R0.91 CCCNC(=O)NCCCF 273464a_100020643023_100015189416 [1,1,0,0,0,0|2,0,0]=4 7995 B10R0.91 CCCNC(=O)NCCCF 512a_100015189416_100020643023 [1,1,0,0,0,0|2,0,0]=4 7996 B10R0.91 CCCNC(=O)NCCCF 512a_100020643023_100015189416 [1,1,0,0,0,0|2,0,0]=4 7997 B10R0.91 CCCNC(=O)NCCCO 2708a_100020643023_100000182051 [1,1,0,0,0,0|2,0,0]=4 7998 B10R0.91 CCCNC(=O)NCCCO 273464a_100000182051_100020643023 [1,1,0,0,0,0|2,0,0]=4 7999 B10R0.91 CCCNC(=O)NCCCO 273464a_100020643023_100000182051 [1,1,0,0,0,0|2,0,0]=4 8000 B10R0.91 CCCNC(=O)NCCCO 512a_100020643023_100000182051 [1,1,0,0,0,0|2,0,0]=4 8001 B10R0.91 CCCNC(=O)NCCOC 2708a_100020643023_100000209980 [1,1,0,0,0,0|2,0,0]=4 8002 B10R0.91 CCCNC(=O)NCCOC 273464a_100000209980_100020643023 [1,1,0,0,0,0|2,0,0]=4 8003 B10R0.91 CCCNC(=O)NCCOC 273464a_100020643023_100000209980 [1,1,0,0,0,0|2,0,0]=4 8004 B10R0.91 CCCNC(=O)NCCSC 2708a_100020590264_100020643023 [1,1,0,0,0,0|2,0,0]=4 8005 B10R0.91 CCCNC(=O)NCCSC 2708a_100020643023_100020590264 [1,1,0,0,0,0|2,0,0]=4 8006 B10R0.91 CCCNC(=O)NCCSC 273464a_100020590264_100020643023 [1,1,0,0,0,0|2,0,0]=4 8007 B10R0.91 CCCNC(=O)NCCSC 273464a_100020643023_100020590264 [1,1,0,0,0,0|2,0,0]=4 8008 B10R0.91 CCCNC(=O)NCCSC 512a_100020590264_100020643023 [1,1,0,0,0,0|2,0,0]=4 8009 B10R0.91 CCCNC(=O)NCCSC 512a_100020643023_100020590264 [1,1,0,0,0,0|2,0,0]=4 8010 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [1,1,0,0,0,0|1,0,0]=3 8011 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [1,1,0,0,0,0|2,0,0]=4 8012 B10R0.91 CCCNNC(=O)CCOC 22a_100000740057_100000749529 [1,1,0,0,0,0|2,0,0]=4 8013 B10R0.91 CCCNNC(=O)CCSC 22a_100000740057_100000174002 [1,1,0,0,0,0|2,0,0]=4 8014 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [1,1,0,0,0,0|2,0,0]=4 8015 B10R0.91 CCCNNC(=O)CSCC 22a_100000740057_100000230394 [1,1,0,0,0,0|2,0,0]=4 8016 B10R0.91 CCCNNC(=O)NCCC 273464a_100020643023_100000740057 [1,1,0,0,0,0|2,0,0]=4 8017 B10R0.91 CCCNNC(=O)NCCC 512a_100000740057_100020643023 [1,1,0,0,0,0|2,0,0]=4 8018 B10R0.91 CCCNNC(=O)NCCC 512a_100020643023_100000740057 [1,1,0,0,0,0|2,0,0]=4 8019 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [1,1,0,0,0,0|2,0,0]=4 8020 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [1,1,0,0,0,0|2,0,0]=4 8021 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [1,1,0,0,0,0|2,0,0]=4 8022 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [1,1,0,0,0,0|2,0,0]=4 8023 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [1,1,0,0,0,0|2,0,0]=4 8024 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [1,1,0,0,0,0|1,0,0]=3 8025 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [1,1,0,0,0,0|1,0,0]=3 8026 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [1,1,0,0,0,0|2,0,0]=4 8027 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [1,1,0,0,0,0|2,0,0]=4 8028 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [1,1,0,0,0,0|2,0,0]=4 8029 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [1,1,0,0,0,0|2,0,0]=4 8030 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [1,1,0,0,0,0|2,0,0]=4 8031 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [1,1,0,0,0,0|2,0,0]=4 8032 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [1,1,0,0,0,0|2,0,0]=4 8033 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [1,1,0,0,0,0|2,0,0]=4 8034 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [1,1,0,0,0,0|1,0,0]=3 8035 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [1,1,0,0,0,0|1,0,0]=3 8036 B10R0.91 CCCOC(=O)OCSCF 62a_100015361967_200000139673 [1,1,0,0,0,0|2,0,0]=4 8037 B10R0.91 CCCOCC(=O)CCC#N 1458a_100000745993_100011215226 [1,1,0,0,0,0|1,0,1]=4 8038 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [1,1,0,0,0,0|1,0,0]=3 8039 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [1,1,0,0,0,0|1,0,0]=3 8040 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [1,1,0,0,0,0|1,0,0]=3 8041 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [1,1,0,0,0,0|1,0,0]=3 8042 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 8043 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 8044 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 8045 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 8046 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [1,1,0,0,0,0|2,0,0]=4 8047 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [1,1,0,0,0,0|2,0,0]=4 8048 B10R0.91 CCCOCC(=O)NNCC 22a_100000756455_100000745993 [1,1,0,0,0,0|2,0,0]=4 8049 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [1,1,0,0,0,0|1,0,0]=3 8050 B10R0.91 CCCSCC(=O)CCC#N 1458a_100000217233_100011215226 [1,1,0,0,0,0|1,0,1]=4 8051 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [1,1,0,0,0,0|1,0,0]=3 8052 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [1,1,0,0,0,0|1,0,0]=3 8053 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [1,1,0,0,0,0|1,0,0]=3 8054 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [1,1,0,0,0,0|1,0,0]=3 8055 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 8056 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 8057 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 8058 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 8059 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [1,1,0,0,0,0|2,0,0]=4 8060 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [1,1,0,0,0,0|2,0,0]=4 8061 B10R0.91 CCCSCC(=O)NNCC 22a_100000756455_100000217233 [1,1,0,0,0,0|2,0,0]=4 8062 B10R0.91 CCNCC(=O)NCCOC 2230a_100000754632_100000210202 [1,1,0,0,0,0|2,0,0]=4 8063 B10R0.91 CCNCC(=O)NCCOC 2230a_100015525214_100000183275 [1,1,0,0,0,0|2,0,0]=4 8064 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [1,1,0,0,0,0|1,0,0]=3 8065 B10R0.91 CCNNC(=O)CCCOC 22a_100000756455_100000741012 [1,1,0,0,0,0|2,0,0]=4 8066 B10R0.91 CCNNC(=O)CCCSC 22a_100000756455_100000173376 [1,1,0,0,0,0|2,0,0]=4 8067 B10R0.91 CCNNC(=O)CCOCC 22a_100000756455_100000749530 [1,1,0,0,0,0|2,0,0]=4 8068 B10R0.91 CCNNC(=O)CCSCC 22a_100000756455_100000230768 [1,1,0,0,0,0|2,0,0]=4 8069 B10R0.91 CCOCC(=O)CCCC#N 1458a_100000211967_100000211468 [1,1,0,0,0,0|1,0,1]=4 8070 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [1,1,0,0,0,0|1,0,0]=3 8071 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [1,1,0,0,0,0|1,0,0]=3 8072 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [1,1,0,0,0,0|1,0,0]=3 8073 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [1,1,0,0,0,0|1,0,0]=3 8074 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 8075 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 8076 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 8077 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 8078 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [1,1,0,0,0,0|2,0,0]=4 8079 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [1,1,0,0,0,0|2,0,0]=4 8080 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 8081 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 8082 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [1,1,0,0,0,0|2,0,0]=4 8083 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 8084 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 8085 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 8086 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 8087 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 8088 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [1,1,0,0,0,0|1,0,0]=3 8089 B10R0.91 CCOCCC(=O)CCC#N 1458a_100000749530_100011215226 [1,1,0,0,0,0|1,0,1]=4 8090 B10R0.91 CCOCCC(=O)CCC#N 1458a_100011934036_100011215890 [1,1,0,0,0,0|1,0,1]=4 8091 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [1,1,0,0,0,0|1,0,0]=3 8092 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [1,1,0,0,0,0|1,0,0]=3 8093 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [1,1,0,0,0,0|1,0,0]=3 8094 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [1,1,0,0,0,0|1,0,0]=3 8095 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [1,1,0,0,0,0|1,0,0]=3 8096 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [1,1,0,0,0,0|1,0,0]=3 8097 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [1,1,0,0,0,0|1,0,0]=3 8098 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [1,1,0,0,0,0|1,0,0]=3 8099 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [1,1,0,0,0,0|2,0,0]=4 8100 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [1,1,0,0,0,0|2,0,0]=4 8101 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [1,1,0,0,0,0|2,0,0]=4 8102 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [1,1,0,0,0,0|2,0,0]=4 8103 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [1,1,0,0,0,0|2,0,0]=4 8104 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [1,1,0,0,0,0|2,0,0]=4 8105 B10R0.91 CCSCC(=O)CCCC#N 1458a_100000230394_100000211468 [1,1,0,0,0,0|1,0,1]=4 8106 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [1,1,0,0,0,0|1,0,0]=3 8107 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [1,1,0,0,0,0|1,0,0]=3 8108 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [1,1,0,0,0,0|1,0,0]=3 8109 B10R0.91 CCSCC(=O)NCCCF 11a_100015189416_100000230394 [1,1,0,0,0,0|2,0,0]=4 8110 B10R0.91 CCSCC(=O)NCCCF 1626a_100015189416_100000230394 [1,1,0,0,0,0|2,0,0]=4 8111 B10R0.91 CCSCC(=O)NCCCF 240690a_100015189416_100000230394 [1,1,0,0,0,0|2,0,0]=4 8112 B10R0.91 CCSCC(=O)NCCCF 527a_100015189416_100000230394 [1,1,0,0,0,0|2,0,0]=4 8113 B10R0.91 CCSCC(=O)NCCCO 240690a_100000182051_100000230394 [1,1,0,0,0,0|2,0,0]=4 8114 B10R0.91 CCSCC(=O)NCCCO 527a_100000182051_100000230394 [1,1,0,0,0,0|2,0,0]=4 8115 B10R0.91 CCSCC(=O)NCCOC 1626a_100000209980_100000230394 [1,1,0,0,0,0|2,0,0]=4 8116 B10R0.91 CCSCC(=O)NCCOC 240690a_100000209980_100000230394 [1,1,0,0,0,0|2,0,0]=4 8117 B10R0.91 CCSCC(=O)NCCOC 527a_100000209980_100000230394 [1,1,0,0,0,0|2,0,0]=4 8118 B10R0.91 CCSCC(=O)NCCOC 62a_100000183275_100000210202 [1,1,0,0,0,0|2,0,0]=4 8119 B10R0.91 CCSCC(=O)NCCOC 62a_100000210202_100000183275 [1,1,0,0,0,0|2,0,0]=4 8120 B10R0.91 CCSCC(=O)NCCSC 11a_100020590264_100000230394 [1,1,0,0,0,0|2,0,0]=4 8121 B10R0.91 CCSCC(=O)NCCSC 1626a_100020590264_100000230394 [1,1,0,0,0,0|2,0,0]=4 8122 B10R0.91 CCSCC(=O)NCCSC 240690a_100020590264_100000230394 [1,1,0,0,0,0|2,0,0]=4 8123 B10R0.91 CCSCC(=O)NCCSC 527a_100020590264_100000230394 [1,1,0,0,0,0|2,0,0]=4 8124 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [1,1,0,0,0,0|1,0,0]=3 8125 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [1,1,0,0,0,0|1,0,0]=3 8126 B10R0.91 CCSCCC(=O)CCC#N 1458a_100000230768_100011215226 [1,1,0,0,0,0|1,0,1]=4 8127 B10R0.91 CCSCCC(=O)CCC#N 1458a_100011934036_100000757381 [1,1,0,0,0,0|1,0,1]=4 8128 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [1,1,0,0,0,0|1,0,0]=3 8129 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [1,1,0,0,0,0|1,0,0]=3 8130 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [1,1,0,0,0,0|1,0,0]=3 8131 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [1,1,0,0,0,0|1,0,0]=3 8132 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [1,1,0,0,0,0|1,0,0]=3 8133 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [1,1,0,0,0,0|1,0,0]=3 8134 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [1,1,0,0,0,0|1,0,0]=3 8135 B10R0.91 CCSCCC(=O)NCCF 11a_100000724931_100000230768 [1,1,0,0,0,0|2,0,0]=4 8136 B10R0.91 CCSCCC(=O)NCCF 1626a_100000724931_100000230768 [1,1,0,0,0,0|2,0,0]=4 8137 B10R0.91 CCSCCC(=O)NCCF 240690a_100000724931_100000230768 [1,1,0,0,0,0|2,0,0]=4 8138 B10R0.91 CCSCCC(=O)NCCF 527a_100000724931_100000230768 [1,1,0,0,0,0|2,0,0]=4 8139 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [1,1,0,0,0,0|2,0,0]=4 8140 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [1,1,0,0,0,0|2,0,0]=4 8141 B10R0.91 COCCC(=O)CCCC#N 1458a_100000075515_100000233755 [1,1,0,0,0,0|1,0,1]=4 8142 B10R0.91 COCCC(=O)CCCC#N 1458a_100000749529_100000211468 [1,1,0,0,0,0|1,0,1]=4 8143 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [1,1,0,0,0,0|1,0,0]=3 8144 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [1,1,0,0,0,0|1,0,0]=3 8145 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [1,1,0,0,0,0|1,0,0]=3 8146 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [1,1,0,0,0,0|1,0,0]=3 8147 B10R0.91 COCCC(=O)COCCO 1458a_100000708028_100000233755 [1,1,0,0,0,0|2,0,0]=4 8148 B10R0.91 COCCC(=O)NCCCF 11a_100015189416_100000749529 [1,1,0,0,0,0|2,0,0]=4 8149 B10R0.91 COCCC(=O)NCCCF 1626a_100015189416_100000749529 [1,1,0,0,0,0|2,0,0]=4 8150 B10R0.91 COCCC(=O)NCCCF 240690a_100015189416_100000749529 [1,1,0,0,0,0|2,0,0]=4 8151 B10R0.91 COCCC(=O)NCCCF 527a_100015189416_100000749529 [1,1,0,0,0,0|2,0,0]=4 8152 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [1,1,0,0,0,0|2,0,0]=4 8153 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [1,1,0,0,0,0|2,0,0]=4 8154 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [1,1,0,0,0,0|2,0,0]=4 8155 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [1,1,0,0,0,0|2,0,0]=4 8156 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [1,1,0,0,0,0|2,0,0]=4 8157 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [1,1,0,0,0,0|2,0,0]=4 8158 B10R0.91 COCCCC(=O)CCC#N 1458a_100000741012_100011215226 [1,1,0,0,0,0|1,0,1]=4 8159 B10R0.91 COCCCC(=O)CCC#N 1458a_100011934036_100000740836 [1,1,0,0,0,0|1,0,1]=4 8160 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [1,1,0,0,0,0|1,0,0]=3 8161 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [1,1,0,0,0,0|1,0,0]=3 8162 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [1,1,0,0,0,0|1,0,0]=3 8163 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [1,1,0,0,0,0|1,0,0]=3 8164 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [1,1,0,0,0,0|1,0,0]=3 8165 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [1,1,0,0,0,0|1,0,0]=3 8166 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [1,1,0,0,0,0|2,0,0]=4 8167 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [1,1,0,0,0,0|2,0,0]=4 8168 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [1,1,0,0,0,0|2,0,0]=4 8169 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [1,1,0,0,0,0|2,0,0]=4 8170 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [1,1,0,0,0,0|2,0,0]=4 8171 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [1,1,0,0,0,0|2,0,0]=4 8172 B10R0.91 COCCNC(=O)CCOC 1626a_100000209980_100000749529 [1,1,0,0,0,0|2,0,0]=4 8173 B10R0.91 COCCNC(=O)CCOC 240690a_100000209980_100000749529 [1,1,0,0,0,0|2,0,0]=4 8174 B10R0.91 COCCNC(=O)CCOC 527a_100000209980_100000749529 [1,1,0,0,0,0|2,0,0]=4 8175 B10R0.91 COCCNC(=O)CCSC 1626a_100000209980_100000174002 [1,1,0,0,0,0|2,0,0]=4 8176 B10R0.91 COCCNC(=O)CCSC 240690a_100000209980_100000174002 [1,1,0,0,0,0|2,0,0]=4 8177 B10R0.91 COCCNC(=O)CCSC 527a_100000209980_100000174002 [1,1,0,0,0,0|2,0,0]=4 8178 B10R0.91 COCCOC(=O)CSCF 62a_100015361967_200000040189 [1,1,0,0,0,0|2,0,0]=4 8179 B10R0.91 COCCOC(=O)CSCF 62a_200000040189_100015361967 [1,1,0,0,0,0|2,0,0]=4 8180 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000075515_100000751147 [1,1,0,0,0,0|1,0,1]=4 8181 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000174002_100000211468 [1,1,0,0,0,0|1,0,1]=4 8182 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [1,1,0,0,0,0|1,0,0]=3 8183 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [1,1,0,0,0,0|1,0,0]=3 8184 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [1,1,0,0,0,0|1,0,0]=3 8185 B10R0.91 CSCCC(=O)COCCO 1458a_100000708028_100000751147 [1,1,0,0,0,0|2,0,0]=4 8186 B10R0.91 CSCCC(=O)NCCCF 11a_100015189416_100000174002 [1,1,0,0,0,0|2,0,0]=4 8187 B10R0.91 CSCCC(=O)NCCCF 1626a_100015189416_100000174002 [1,1,0,0,0,0|2,0,0]=4 8188 B10R0.91 CSCCC(=O)NCCCF 240690a_100015189416_100000174002 [1,1,0,0,0,0|2,0,0]=4 8189 B10R0.91 CSCCC(=O)NCCCF 527a_100015189416_100000174002 [1,1,0,0,0,0|2,0,0]=4 8190 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [1,1,0,0,0,0|2,0,0]=4 8191 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [1,1,0,0,0,0|2,0,0]=4 8192 B10R0.91 CSCCCC(=O)CCC#N 1458a_100000173376_100011215226 [1,1,0,0,0,0|1,0,1]=4 8193 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [1,1,0,0,0,0|1,0,0]=3 8194 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [1,1,0,0,0,0|1,0,0]=3 8195 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [1,1,0,0,0,0|1,0,0]=3 8196 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [1,1,0,0,0,0|2,0,0]=4 8197 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [1,1,0,0,0,0|2,0,0]=4 8198 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [1,1,0,0,0,0|2,0,0]=4 8199 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [1,1,0,0,0,0|2,0,0]=4 8200 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [1,1,0,0,0,0|2,0,0]=4 8201 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [1,1,0,0,0,0|2,0,0]=4 8202 B10R0.91 CSCCNC(=O)CCSC 11a_100020590264_100000174002 [1,1,0,0,0,0|2,0,0]=4 8203 B10R0.91 CSCCNC(=O)CCSC 1626a_100020590264_100000174002 [1,1,0,0,0,0|2,0,0]=4 8204 B10R0.91 CSCCNC(=O)CCSC 240690a_100020590264_100000174002 [1,1,0,0,0,0|2,0,0]=4 8205 B10R0.91 CSCCNC(=O)CCSC 527a_100020590264_100000174002 [1,1,0,0,0,0|2,0,0]=4 8206 B10R0.91 N#CCCC(=O)CCCCF 1458a_100011934036_100000729493 [1,1,0,0,0,0|1,0,1]=4 8207 B10R0.91 N#CCCC(=O)CCCCO 1458a_100000695505_100011215226 [1,1,0,0,0,0|1,0,1]=4 8208 B10R0.91 N#CCCC(=O)CCCCO 1458a_100011934036_100000210776 [1,1,0,0,0,0|1,0,1]=4 8209 B10R0.91 N#CCCCC(=O)CCCF 1458a_100000075515_100011934791 [1,1,0,0,0,0|1,0,1]=4 8210 B10R0.91 N#CCCCC(=O)CCCO 1458a_100000075515_100011215043 [1,1,0,0,0,0|1,0,1]=4 8211 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [1,1,0,0,0,0|2,0,0]=4 8212 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [1,1,0,0,0,0|1,0,0]=3 8213 B10R0.91 O=C(CCCF)COCCO 1458a_100000708028_100011934791 [1,1,0,0,0,0|2,0,0]=4 8214 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [1,1,0,0,0,0|1,0,0]=3 8215 B10R0.91 O=C(CCCO)COCCO 1458a_100000708028_100011215043 [1,1,0,0,0,0|2,0,0]=4 8216 B10R0.108 C#CCC(=O)CCC(C)CC 1458a_100000701222_100000184674 [1,1,0,0,0,0|0,0,2]=4 8217 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [1,1,0,0,0,0|0,0,2]=4 8218 B10R0.108 CCC(C)CCC(=O)CC#N 1458a_100000701222_100011214920 [1,1,0,0,0,0|1,0,1]=4 8219 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [1,1,0,0,0,0|1,0,0]=3 8220 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [1,1,0,0,0,0|1,0,0]=3 8221 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [1,1,0,0,0,0|2,0,0]=4 8222 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [1,1,0,0,0,0|2,0,0]=4 8223 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 8224 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 8225 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 8226 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 8227 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 8228 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 8229 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 8230 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 8231 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [1,1,0,0,0,0|2,0,0]=4 8232 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [1,1,0,0,0,0|2,0,0]=4 8233 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [1,1,0,0,0,0|2,0,0]=4 8234 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [1,1,0,0,0,0|2,0,0]=4 8235 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [1,1,0,0,0,0|2,0,0]=4 8236 B10R0.108 CCC(O)CNC(=O)CSC 11a_100011218483_100000184570 [1,1,0,0,0,0|2,0,0]=4 8237 B10R0.108 CCC(O)CNC(=O)CSC 240690a_100011218483_100000184570 [1,1,0,0,0,0|2,0,0]=4 8238 B10R0.108 CCC(O)CNC(=O)CSC 527a_100011218483_100000184570 [1,1,0,0,0,0|2,0,0]=4 8239 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [1,1,0,0,0,0|1,0,1]=4 8240 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [1,1,0,0,0,0|1,0,1]=4 8241 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [1,1,0,0,0,0|0,0,0]=2 8242 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [1,1,0,0,0,0|1,0,0]=3 8243 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [1,1,0,0,0,0|1,0,0]=3 8244 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [1,1,0,0,0,0|1,0,1]=4 8245 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [1,1,0,0,0,0|1,0,0]=3 8246 B10R0.108 CCCC(=O)CN[C@H](C)CO 2230a_100000737577_100000747444 [1,1,0,0,0,0|2,0,0]=4 8247 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [1,1,0,0,0,0|1,0,0]=3 8248 B10R0.108 CCCC(=O)COC(C)CF 7a_100016041109_100000747444 [1,1,0,0,0,0|2,0,0]=4 8249 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [1,1,0,0,0,0|1,0,0]=3 8250 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [1,1,0,0,0,0|1,0,0]=3 8251 B10R0.108 CCCC(=O)CSC(C)CO 62a_100012180447_100000747444 [1,1,0,0,0,0|2,0,0]=4 8252 B10R0.108 CCCC(=O)CSC(C)OC 62a_100000747444_100009879195 [1,1,0,0,0,0|2,0,0]=4 8253 B10R0.108 CCCC(=O)CSC(C)OC 62a_100009879195_100000747444 [1,1,0,0,0,0|2,0,0]=4 8254 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100000747444_100016084084 [1,1,0,0,0,0|2,0,0]=4 8255 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100016084084_100000747444 [1,1,0,0,0,0|2,0,0]=4 8256 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 8257 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 8258 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 8259 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 8260 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [1,1,0,0,0,0|2,0,0]=4 8261 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [1,1,0,0,0,0|2,0,0]=4 8262 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [1,1,0,0,0,0|1,0,0]=3 8263 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [1,1,0,0,0,0|1,0,0]=3 8264 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [1,1,0,0,0,0|1,0,0]=3 8265 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 8266 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 8267 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 8268 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 8269 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [1,1,0,0,0,0|2,0,0]=4 8270 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [1,1,0,0,0,0|2,0,0]=4 8271 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [1,1,0,0,0,0|2,0,0]=4 8272 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [1,1,0,0,0,0|2,0,0]=4 8273 B10R0.108 CCCC(=O)NNC(C)CC 22a_100000718999_100000211992 [1,1,0,0,0,0|2,0,0]=4 8274 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [1,1,0,0,0,0|0,0,1]=3 8275 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [1,1,0,0,0,0|1,0,1]=4 8276 B10R0.108 CCCC(=O)OCN(C)CC 2230a_100000225621_100000034017 [1,1,0,0,0,0|1,0,0]=3 8277 B10R0.108 CCCC(=O)OCN(C)CC 269982a_100000225621_100000034017 [1,1,0,0,0,0|1,0,0]=3 8278 B10R0.108 CCCC(C)OCC(C)CC 34a_100000764384_100000748023 [1,1,0,0,0,0|1,0,1]=4 8279 B10R0.108 CCCC(C)OCC(C)CC 7a_100000764384_100000748023 [1,1,0,0,0,0|1,0,1]=4 8280 B10R0.108 CCCC(C)OCC(O)CC 34a_100000764384_100011218378 [1,1,0,0,0,0|1,0,1]=4 8281 B10R0.108 CCCC(C)OCC(O)CC 7a_100000764384_100011218378 [1,1,0,0,0,0|1,0,1]=4 8282 B10R0.108 CCCC(C)OC[C@@H](C)CC 34a_100000764384_100009816398 [1,1,0,0,0,0|1,0,1]=4 8283 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100000764384_100009816398 [1,1,0,0,0,0|1,0,1]=4 8284 B10R0.108 CCCC(C)OC[C@@H](C)CC 7a_100009816381_100000766640 [1,1,0,0,0,0|1,0,1]=4 8285 B10R0.108 CCN(C)CCC(=O)CCF 1458a_100000755305_100011217306 [1,1,0,0,0,0|2,0,0]=4 8286 B10R0.108 CCN(C)CCC(=O)CCO 1458a_100000755305_100000211926 [1,1,0,0,0,0|2,0,0]=4 8287 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [1,1,0,0,0,0|1,0,1]=4 8288 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [1,1,0,0,0,0|1,0,0]=3 8289 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [1,1,0,0,0,0|1,0,0]=3 8290 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [1,1,0,0,0,0|1,0,0]=3 8291 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [1,1,0,0,0,0|1,0,0]=3 8292 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [1,1,0,0,0,0|2,0,0]=4 8293 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [1,1,0,0,0,0|2,0,0]=4 8294 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [1,1,0,0,0,0|2,0,0]=4 8295 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 8296 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 8297 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 8298 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [1,1,0,0,0,0|2,0,0]=4 8299 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [1,1,0,0,0,0|2,0,0]=4 8300 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [1,1,0,0,0,0|2,0,0]=4 8301 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [1,1,0,0,0,0|2,0,0]=4 8302 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [1,1,0,0,0,0|2,0,0]=4 8303 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 8304 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 8305 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 8306 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 8307 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 8308 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 8309 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [1,1,0,0,0,0|2,0,0]=4 8310 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [1,1,0,0,0,0|2,0,0]=4 8311 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [1,1,0,0,0,0|2,0,0]=4 8312 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [1,1,0,0,0,0|2,0,0]=4 8313 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [1,1,0,0,0,0|1,0,1]=4 8314 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [1,1,0,0,0,0|2,0,0]=4 8315 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [1,1,0,0,0,0|2,0,0]=4 8316 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [1,1,0,0,0,0|2,0,0]=4 8317 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [1,1,0,0,0,0|2,0,0]=4 8318 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [1,1,0,0,0,0|2,0,0]=4 8319 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [1,1,0,0,0,0|2,0,0]=4 8320 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [1,1,0,0,0,0|2,0,0]=4 8321 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [1,1,0,0,0,0|2,0,0]=4 8322 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [1,1,0,0,0,0|2,0,0]=4 8323 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [1,1,0,0,0,0|2,0,0]=4 8324 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [1,1,0,0,0,0|2,0,0]=4 8325 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [1,1,0,0,0,0|2,0,0]=4 8326 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [1,1,0,0,0,0|2,0,0]=4 8327 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [1,1,0,0,0,0|2,0,0]=4 8328 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [1,1,0,0,0,0|2,0,0]=4 8329 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [1,1,0,0,0,0|2,0,0]=4 8330 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [1,1,0,0,0,0|2,0,0]=4 8331 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [1,1,0,0,0,0|2,0,0]=4 8332 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [1,1,0,0,0,0|2,0,0]=4 8333 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [1,1,0,0,0,0|2,0,0]=4 8334 B10R0.108 CCS(=O)CCC(=O)CCF 1458a_100011387550_100011217306 [1,1,0,0,0,0|2,0,0]=4 8335 B10R0.108 CCS(=O)CCC(=O)CCO 1458a_100011387550_100000211926 [1,1,0,0,0,0|2,0,0]=4 8336 B10R0.156 CCCCCS(=O)(=O)NCC 270084a_100015525214_100000753860 [1,1,0,0,0,0|2,0,0]=4 8337 B10R0.156 CCCCCS(=O)(=O)NCC 274078a_100015525214_100000753860 [1,1,0,0,0,0|2,0,0]=4 8338 B10R0.156 CCCCNS(=O)(=O)CCC 270084a_100000102301_100000211391 [1,1,0,0,0,0|2,0,0]=4 8339 B10R0.156 CCCCNS(=O)(=O)CCC 274078a_100000102301_100000211391 [1,1,0,0,0,0|2,0,0]=4 8340 B10R0.156 CCCCNS(=O)(=O)CCC 40a_100000102301_100000054278 [1,1,0,0,0,0|2,0,0]=4 8341 B10R0.156 CCCCOC(C)(C)CCC 7a_100000748436_100000210211 [1,1,0,0,0,0|1,0,1]=4 8342 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,1,0,0,0,0|0,0,2]=4 8343 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,1,0,0,0,0|0,0,2]=4 8344 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,1,0,0,0,0|0,0,2]=4 8345 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [1,1,0,0,0,0|1,0,1]=4 8346 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [1,1,0,0,0,0|1,0,1]=4 8347 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [1,1,0,0,0,0|1,0,1]=4 8348 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [1,1,0,0,0,0|1,0,1]=4 8349 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [1,1,0,0,0,0|1,0,1]=4 8350 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [1,1,0,0,0,0|1,0,1]=4 8351 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [1,1,0,0,0,0|1,0,1]=4 8352 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [1,1,0,0,0,0|1,0,1]=4 8353 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [1,1,0,0,0,0|1,0,1]=4 8354 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [1,1,0,0,0,0|1,0,1]=4 8355 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [1,1,0,0,0,0|1,0,1]=4 8356 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [1,1,0,0,0,0|1,0,1]=4 8357 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [1,1,0,0,0,0|1,0,1]=4 8358 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [1,1,0,0,0,0|1,0,1]=4 8359 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [1,1,0,0,0,0|1,0,1]=4 8360 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [1,1,0,0,0,0|1,0,1]=4 8361 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [1,1,0,0,0,0|1,0,1]=4 8362 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [1,1,0,0,0,0|1,0,1]=4 8363 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [1,1,0,0,0,0|1,0,1]=4 8364 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [1,1,0,0,0,0|1,0,1]=4 8365 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [1,1,0,0,0,0|1,0,1]=4 8366 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [1,1,0,0,0,0|1,0,1]=4 8367 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [1,1,0,0,0,0|1,0,1]=4 8368 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [1,1,0,0,0,0|1,0,1]=4 8369 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [1,1,0,0,0,0|1,0,1]=4 8370 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [1,1,0,0,0,0|1,0,1]=4 8371 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [1,1,0,0,0,0|1,0,1]=4 8372 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [1,1,0,0,0,0|1,0,1]=4 8373 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [1,1,0,0,0,0|1,0,1]=4 8374 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [1,1,0,0,0,0|1,0,1]=4 8375 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [1,1,0,0,0,0|1,0,1]=4 8376 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [1,1,0,0,0,0|1,0,1]=4 8377 B10R0.4 CCC/C=C/COCC(C)C 34a_100016278788_100000210624 [1,1,0,0,0,0|2,0,0]=4 8378 B10R0.4 CCC/C=C/COCC(C)C 7a_100016278788_100000210760 [1,1,0,0,0,0|2,0,0]=4 8379 B10R0.4 CCC/C=C/COCC(C)O 34a_100016278788_100011218427 [1,1,0,0,0,0|2,0,0]=4 8380 B10R0.4 CCC/C=C/COCC(C)O 7a_100016278788_100011218427 [1,1,0,0,0,0|2,0,0]=4 8381 B10R0.4 CCC/C=C/COC[C@@H](C)O 34a_100016278788_100009817552 [1,1,0,0,0,0|2,0,0]=4 8382 B10R0.4 CCC/C=C/COC[C@@H](C)O 7a_100016278788_100009817552 [1,1,0,0,0,0|2,0,0]=4 8383 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,1,0,0,0,0|1,0,1]=4 8384 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,1,0,0,0,0|1,0,1]=4 8385 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,1,0,0,0,0|2,0,0]=4 8386 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,1,0,0,0,0|2,0,0]=4 8387 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,1,0,0,0,0|2,0,0]=4 8388 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,1,0,0,0,0|2,0,0]=4 8389 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,1,0,0,0,0|2,0,0]=4 8390 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,1,0,0,0,0|2,0,0]=4 8391 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,1,0,0,0,0|2,0,0]=4 8392 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,1,0,0,0,0|2,0,0]=4 8393 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [1,1,0,0,0,0|2,0,0]=4 8394 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,1,0,0,0,0|2,0,0]=4 8395 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,1,0,0,0,0|2,0,0]=4 8396 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,1,0,0,0,0|2,0,0]=4 8397 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [1,1,0,0,0,0|2,0,0]=4 8398 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,1,0,0,0,0|2,0,0]=4 8399 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,1,0,0,0,0|2,0,0]=4 8400 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [1,1,0,0,0,0|2,0,0]=4 8401 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,1,0,0,0,0|2,0,0]=4 8402 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,1,0,0,0,0|2,0,0]=4 8403 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,1,0,0,0,0|2,0,0]=4 8404 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,1,0,0,0,0|2,0,0]=4 8405 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,1,0,0,0,0|2,0,0]=4 8406 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,1,0,0,0,0|2,0,0]=4 8407 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,1,0,0,0,0|2,0,0]=4 8408 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,1,0,0,0,0|2,0,0]=4 8409 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,1,0,0,0,0|2,0,0]=4 8410 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [1,1,0,0,0,0|1,0,1]=4 8411 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [1,1,0,0,0,0|1,0,1]=4 8412 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,1,0,0,0,0|1,0,1]=4 8413 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,1,0,0,0,0|1,0,1]=4 8414 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,1,0,0,0,0|0,0,2]=4 8415 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,1,0,0,0,0|0,0,2]=4 8416 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,1,0,0,0,0|0,0,2]=4 8417 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [1,1,0,0,0,0|0,0,1]=3 8418 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [1,1,0,0,0,0|0,0,1]=3 8419 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [1,1,0,0,0,0|0,0,1]=3 8420 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [1,1,0,0,0,0|0,0,1]=3 8421 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [1,1,0,0,0,0|0,0,1]=3 8422 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,1,0,0,0,0|0,0,1]=3 8423 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,1,0,0,0,0|0,0,1]=3 8424 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [1,1,0,0,0,0|1,0,1]=4 8425 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [1,1,0,0,0,0|1,0,1]=4 8426 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,1,0,0,0,0|0,0,1]=3 8427 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [1,1,0,0,0,0|1,0,1]=4 8428 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [1,1,0,0,0,0|0,1,1]=4 8429 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [1,1,0,0,0,0|0,1,1]=4 8430 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,1,0,0,0,0|0,1,1]=4 8431 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,1,0,0,0,0|0,1,1]=4 8432 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [1,1,0,0,0,0|1,0,1]=4 8433 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [1,1,0,0,0,0|1,0,1]=4 8434 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [1,1,0,0,0,0|1,0,1]=4 8435 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [1,1,0,0,0,0|1,0,1]=4 8436 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [1,1,0,0,0,0|1,0,1]=4 8437 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [1,1,0,0,0,0|1,0,1]=4 8438 B10R0.4 CCCCNN=CCC(C)C 4a_100025702795_100000185833 [1,1,0,0,0,0|2,0,0]=4 8439 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,1,0,0,0,0|0,0,2]=4 8440 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,1,0,0,0,0|0,0,2]=4 8441 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,1,0,0,0,0|0,0,2]=4 8442 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,1,0,0,0,0|0,0,2]=4 8443 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,1,0,0,0,0|0,0,1]=3 8444 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,1,0,0,0,0|0,0,1]=3 8445 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,1,0,0,0,0|0,0,1]=3 8446 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,1,0,0,0,0|0,0,1]=3 8447 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,1,0,0,0,0|0,0,1]=3 8448 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,1,0,0,0,0|0,0,1]=3 8449 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [1,1,0,0,0,0|1,0,1]=4 8450 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [1,1,0,0,0,0|1,0,1]=4 8451 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [1,1,0,0,0,0|1,0,1]=4 8452 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [1,1,0,0,0,0|1,0,1]=4 8453 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [1,1,0,0,0,0|1,0,1]=4 8454 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [1,1,0,0,0,0|1,0,1]=4 8455 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [1,1,0,0,0,0|1,0,1]=4 8456 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [1,1,0,0,0,0|1,0,1]=4 8457 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [1,1,0,0,0,0|1,0,1]=4 8458 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [1,1,0,0,0,0|1,0,1]=4 8459 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [1,1,0,0,0,0|1,0,1]=4 8460 B10R0.4 CCCCOCCSC(C)C 34a_100000210227_100000730970 [1,1,0,0,0,0|1,0,1]=4 8461 B10R0.4 CCCCOCCSC(C)C 34a_200011212901_100000210210 [1,1,0,0,0,0|1,0,1]=4 8462 B10R0.4 CCCCOCCSC(C)C 62a_100000210206_100000743108 [1,1,0,0,0,0|1,0,1]=4 8463 B10R0.4 CCCCOCCSC(C)C 62a_100000743108_100000210206 [1,1,0,0,0,0|1,0,1]=4 8464 B10R0.4 CCCCOCCSC(C)C 7a_100000210227_100000730970 [1,1,0,0,0,0|1,0,1]=4 8465 B10R0.4 CCCCOCCSC(C)C 7a_200011212901_100000210211 [1,1,0,0,0,0|1,0,1]=4 8466 B10R0.4 CCCCOCNCC(C)C 2230a_100000210953_100011995733 [1,1,0,0,0,0|1,0,1]=4 8467 B10R0.4 CCCCOCNCC(C)C 34a_100000210953_100011995733 [1,1,0,0,0,0|1,0,1]=4 8468 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [1,1,0,0,0,0|1,0,1]=4 8469 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [1,1,0,0,0,0|1,0,1]=4 8470 B10R0.4 CCCCOCOCC(C)Br 34a_100012180447_100011995733 [1,1,0,0,0,0|1,0,1]=4 8471 B10R0.4 CCCCOCOCC(C)C 34a_100000210257_100011995733 [1,1,0,0,0,0|1,0,1]=4 8472 B10R0.4 CCCCOCOCC(C)F 34a_100015925927_100011995733 [1,1,0,0,0,0|1,0,1]=4 8473 B10R0.4 CCCCOCOC[C@@H](C)Cl 34a_100016084084_100011995733 [1,1,0,0,0,0|1,0,1]=4 8474 B10R0.4 CCCCOCOC[C@@H](C)N 34a_100000737577_100011995733 [1,1,0,0,0,0|1,0,1]=4 8475 B10R0.4 CCCCOCSCC(C)C 62a_100000210624_100011995733 [1,1,0,0,0,0|1,0,1]=4 8476 B10R0.4 CCCCOCSCC(C)C 62a_100011995733_100000210760 [1,1,0,0,0,0|1,0,1]=4 8477 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [1,1,0,0,0,0|1,0,1]=4 8478 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [1,1,0,0,0,0|1,0,1]=4 8479 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [1,1,0,0,0,0|1,0,1]=4 8480 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [1,1,0,0,0,0|1,0,1]=4 8481 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [1,1,0,0,0,0|0,1,1]=4 8482 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [1,1,0,0,0,0|0,1,1]=4 8483 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [1,1,0,0,0,0|0,1,1]=4 8484 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [1,1,0,0,0,0|0,1,1]=4 8485 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,1,0,0,0,0|2,0,0]=4 8486 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,1,0,0,0,0|2,0,0]=4 8487 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,1,0,0,0,0|2,0,0]=4 8488 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,1,0,0,0,0|2,0,0]=4 8489 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,1,0,0,0,0|2,0,0]=4 8490 B10R0.4 CCOCCOCCC(C)Br 34a_100009893172_100000210147 [1,1,0,0,0,0|1,0,1]=4 8491 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [1,1,0,0,0,0|1,0,1]=4 8492 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [1,1,0,0,0,0|1,0,1]=4 8493 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [1,1,0,0,0,0|1,0,1]=4 8494 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [1,1,0,0,0,0|1,0,1]=4 8495 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [1,1,0,0,0,0|1,0,1]=4 8496 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [1,1,0,0,0,0|1,0,1]=4 8497 B10R0.4 CCOCCOCC[C@@H](C)N 34a_100000706166_100000210147 [1,1,0,0,0,0|1,0,1]=4 8498 B10R0.4 CCSCCOCCC(C)Br 34a_100009893172_100000757381 [1,1,0,0,0,0|1,0,1]=4 8499 B10R0.4 CCSCCOCCC(C)C 34a_100000210254_100000757381 [1,1,0,0,0,0|1,0,1]=4 8500 B10R0.4 CCSCCOCCC(C)C 34a_100000212035_100000210312 [1,1,0,0,0,0|1,0,1]=4 8501 B10R0.4 CCSCCOCCC(C)C 7a_100000210254_100000757381 [1,1,0,0,0,0|1,0,1]=4 8502 B10R0.4 CCSCCOCCC(C)C 7a_100000212035_100000210626 [1,1,0,0,0,0|1,0,1]=4 8503 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [1,1,0,0,0,0|1,0,1]=4 8504 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [1,1,0,0,0,0|1,0,1]=4 8505 B10R0.4 CCSCCOCC[C@@H](C)N 34a_100000706166_100000757381 [1,1,0,0,0,0|1,0,1]=4 8506 B10R0.4 CNCCCOCCC(C)C 34a_100000213112_100000210312 [1,1,0,0,0,0|1,0,1]=4 8507 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [1,1,0,0,0,0|1,0,1]=4 8508 B10R0.4 COCCCOCCC(C)Br 34a_100009893172_100000740836 [1,1,0,0,0,0|1,0,1]=4 8509 B10R0.4 COCCCOCCC(C)C 34a_100000210254_100000740836 [1,1,0,0,0,0|1,0,1]=4 8510 B10R0.4 COCCCOCCC(C)C 34a_100000740835_100000210312 [1,1,0,0,0,0|1,0,1]=4 8511 B10R0.4 COCCCOCCC(C)C 7a_100000210254_100000740836 [1,1,0,0,0,0|1,0,1]=4 8512 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [1,1,0,0,0,0|1,0,1]=4 8513 B10R0.4 COCCCOCC[C@@H](C)N 34a_100000706166_100000740836 [1,1,0,0,0,0|1,0,1]=4 8514 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [1,1,0,0,0,0|1,0,1]=4 8515 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [1,1,0,0,0,0|1,0,1]=4 8516 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [1,1,0,0,0,0|1,0,1]=4 8517 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [1,1,0,0,0,0|1,0,1]=4 8518 B10R0.4 CSCCCOCCC(C)C 34a_100000690336_100000210312 [1,1,0,0,0,0|1,0,1]=4 8519 B10R0.4 CSCCCOCCC(C)C 7a_100000690336_100000210626 [1,1,0,0,0,0|1,0,1]=4 8520 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [1,1,0,0,0,0|1,0,1]=4 8521 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [1,1,0,0,0,0|1,0,1]=4 8522 B10R0.4 CSCCOCCCC(C)C 34a_100000210774_100000212216 [1,1,0,0,0,0|1,0,1]=4 8523 B10R0.4 CSCCOCCCC(C)C 34a_100000230434_100011214892 [1,1,0,0,0,0|1,0,1]=4 8524 B10R0.4 CSCCOCCCC(C)C 7a_100000210774_100000212216 [1,1,0,0,0,0|1,0,1]=4 8525 B10R0.4 CSCCOCCCC(C)C 7a_100000230434_100011214892 [1,1,0,0,0,0|1,0,1]=4 8526 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [1,1,0,0,0,0|1,0,1]=4 8527 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [1,1,0,0,0,0|1,0,1]=4 8528 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [1,1,0,0,0,0|1,0,1]=4 8529 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [1,1,0,0,0,0|1,0,1]=4 8530 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [1,1,0,0,0,0|0,0,2]=4 8531 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [1,1,0,0,0,0|0,0,2]=4 8532 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [1,1,0,0,0,0|0,0,2]=4 8533 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [1,1,0,0,0,0|0,0,2]=4 8534 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [1,1,0,0,0,0|0,0,2]=4 8535 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [1,1,0,0,0,0|0,0,2]=4 8536 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [1,1,0,0,0,0|0,0,2]=4 8537 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [1,1,0,0,0,0|0,0,2]=4 8538 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,1,0,0,0,0|0,0,2]=4 8539 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,1,0,0,0,0|0,0,2]=4 8540 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,1,0,0,0,0|0,0,2]=4 8541 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,1,0,0,0,0|0,0,2]=4 8542 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,1,0,0,0,0|0,0,2]=4 8543 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,1,0,0,0,0|0,0,2]=4 8544 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,1,0,0,0,0|0,0,2]=4 8545 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,1,0,0,0,0|0,0,2]=4 8546 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,1,0,0,0,0|0,0,2]=4 8547 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [1,1,0,0,0,0|0,0,2]=4 8548 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,1,0,0,0,0|1,0,1]=4 8549 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,1,0,0,0,0|1,0,1]=4 8550 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,1,0,0,0,0|1,0,1]=4 8551 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,1,0,0,0,0|1,0,1]=4 8552 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,1,0,0,0,0|1,0,1]=4 8553 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,1,0,0,0,0|1,0,1]=4 8554 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,1,0,0,0,0|1,0,1]=4 8555 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,1,0,0,0,0|1,0,1]=4 8556 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,1,0,0,0,0|1,0,1]=4 8557 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,1,0,0,0,0|1,0,1]=4 8558 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,1,0,0,0,0|1,0,1]=4 8559 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,1,0,0,0,0|0,0,2]=4 8560 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,1,0,0,0,0|0,0,2]=4 8561 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,1,0,0,0,0|0,0,2]=4 8562 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,1,0,0,0,0|0,0,2]=4 8563 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,1,0,0,0,0|1,0,1]=4 8564 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,1,0,0,0,0|1,0,1]=4 8565 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,1,0,0,0,0|1,0,1]=4 8566 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [1,1,0,0,0,0|1,0,1]=4 8567 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,1,0,0,0,0|0,0,1]=3 8568 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,1,0,0,0,0|0,0,1]=3 8569 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,1,0,0,0,0|0,0,1]=3 8570 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [1,1,0,0,0,0|1,0,1]=4 8571 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [1,1,0,0,0,0|1,0,1]=4 8572 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [1,1,0,0,0,0|1,0,1]=4 8573 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [1,1,0,0,0,0|1,0,1]=4 8574 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [1,1,0,0,0,0|1,0,1]=4 8575 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [1,1,0,0,0,0|1,0,1]=4 8576 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [1,1,0,0,0,0|1,0,1]=4 8577 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [1,1,0,0,0,0|1,0,1]=4 8578 B10R0.71 CC/C=C\COCCCNC 34a_100000213112_100103147603 [1,1,0,0,0,0|1,0,1]=4 8579 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [1,1,0,0,0,0|1,0,1]=4 8580 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [1,1,0,0,0,0|1,0,1]=4 8581 B10R0.71 CC/C=C\COCCCSC 34a_100000690336_100103147603 [1,1,0,0,0,0|1,0,1]=4 8582 B10R0.71 CC/C=C\COCCCSC 7a_100000690336_100103147603 [1,1,0,0,0,0|1,0,1]=4 8583 B10R0.71 CC/C=C\COCCOCC 34a_100000210136_100103147603 [1,1,0,0,0,0|1,0,1]=4 8584 B10R0.71 CC/C=C\COCCOCC 34a_100016268518_100000210147 [1,1,0,0,0,0|1,0,1]=4 8585 B10R0.71 CC/C=C\COCCOCC 7a_100000210136_100103147603 [1,1,0,0,0,0|1,0,1]=4 8586 B10R0.71 CC/C=C\COCCSCC 34a_100000212035_100103147603 [1,1,0,0,0,0|1,0,1]=4 8587 B10R0.71 CC/C=C\COCCSCC 34a_100016268518_100000757381 [1,1,0,0,0,0|1,0,1]=4 8588 B10R0.71 CC/C=C\COCCSCC 7a_100000212035_100103147603 [1,1,0,0,0,0|1,0,1]=4 8589 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,1,0,0,0,0|0,1,1]=4 8590 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,1,0,0,0,0|0,1,1]=4 8591 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,1,0,0,0,0|0,0,2]=4 8592 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [1,1,0,0,0,0|0,0,2]=4 8593 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [1,1,0,0,0,0|0,0,2]=4 8594 B10R0.71 CCC#CCOCCCCC 34a_100000032950_100000718602 [1,1,0,0,0,0|0,0,2]=4 8595 B10R0.71 CCC#CCOCCCCC 34a_100000210253_100009813939 [1,1,0,0,0,0|0,0,2]=4 8596 B10R0.71 CCC#CCOCCCCC 7a_100000210253_100009813939 [1,1,0,0,0,0|0,0,2]=4 8597 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,1,0,0,0,0|1,0,0]=3 8598 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,1,0,0,0,0|1,0,0]=3 8599 B10R0.71 CCC/C=C/COCCCF 34a_100016278788_100011934791 [1,1,0,0,0,0|2,0,0]=4 8600 B10R0.71 CCC/C=C/COCCCF 7a_100016278788_100011934791 [1,1,0,0,0,0|2,0,0]=4 8601 B10R0.71 CCC/C=C/COCCCO 34a_100016278788_100000230001 [1,1,0,0,0,0|2,0,0]=4 8602 B10R0.71 CCC/C=C/COCCCO 7a_100016278788_100011215043 [1,1,0,0,0,0|2,0,0]=4 8603 B10R0.71 CCC/C=C/COCCOC 34a_100016278788_100011201679 [1,1,0,0,0,0|2,0,0]=4 8604 B10R0.71 CCC/C=C/COCCOC 7a_100016278788_100000233755 [1,1,0,0,0,0|2,0,0]=4 8605 B10R0.71 CCC/C=C/COCCSC 34a_100016278788_100000212216 [1,1,0,0,0,0|2,0,0]=4 8606 B10R0.71 CCC/C=C/COCCSC 7a_100016278788_100000212216 [1,1,0,0,0,0|2,0,0]=4 8607 B10R0.71 CCCC#CCCOCCC 34a_100000042726_100000210303 [1,1,0,0,0,0|1,0,1]=4 8608 B10R0.71 CCCC#CCCOCCC 7a_100000042726_100000210303 [1,1,0,0,0,0|1,0,1]=4 8609 B10R0.71 CCCC#CCOCCCC 34a_100000034806_100000210210 [1,1,0,0,0,0|0,0,2]=4 8610 B10R0.71 CCCC#CCOCCCC 7a_100000034806_100000210211 [1,1,0,0,0,0|0,0,2]=4 8611 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [1,1,0,0,0,0|2,0,0]=4 8612 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [1,1,0,0,0,0|2,0,0]=4 8613 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [1,1,0,0,0,0|2,0,0]=4 8614 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [1,1,0,0,0,0|2,0,0]=4 8615 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [1,1,0,0,0,0|1,0,0]=3 8616 B10R0.71 CCCC=NNCCOCC 4a_100000732670_100000185831 [1,1,0,0,0,0|2,0,0]=4 8617 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [1,1,0,0,0,0|1,0,0]=3 8618 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [1,1,0,0,0,0|1,0,0]=3 8619 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [1,1,0,0,0,0|2,0,0]=4 8620 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [1,1,0,0,0,0|2,0,0]=4 8621 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,1,0,0,0,0|1,0,0]=3 8622 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,1,0,0,0,0|1,0,0]=3 8623 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,1,0,0,0,0|1,0,0]=3 8624 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,1,0,0,0,0|1,0,0]=3 8625 B10R0.71 CCCCC=NNCCCC 4a_100025702795_100000210104 [1,1,0,0,0,0|2,0,0]=4 8626 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [1,1,0,0,0,0|1,0,1]=4 8627 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [1,1,0,0,0,0|1,0,1]=4 8628 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [1,1,0,0,0,0|1,0,1]=4 8629 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [1,1,0,0,0,0|1,0,1]=4 8630 B10R0.71 CCCCCC#CCNCC 2230a_100015525214_100009816472 [1,1,0,0,0,0|1,0,1]=4 8631 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [1,1,0,0,0,0|1,0,1]=4 8632 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [1,1,0,0,0,0|1,0,1]=4 8633 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [1,1,0,0,0,0|1,0,1]=4 8634 B10R0.71 CCCCCC#CCSCC 62a_100000210202_100009816472 [1,1,0,0,0,0|1,0,1]=4 8635 B10R0.71 CCCCCC#CCSCC 62a_100009816472_100000210202 [1,1,0,0,0,0|1,0,1]=4 8636 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,1,0,0,0,0|1,0,1]=4 8637 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,1,0,0,0,0|1,0,1]=4 8638 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,1,0,0,0,0|1,0,1]=4 8639 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,1,0,0,0,0|1,0,1]=4 8640 B10R0.71 CCCCCC=NNCCC 4a_100000740057_100000737632 [1,1,0,0,0,0|2,0,0]=4 8641 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [1,1,0,0,0,0|2,0,0]=4 8642 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,1,0,0,0,0|1,0,1]=4 8643 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,1,0,0,0,0|1,0,1]=4 8644 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,1,0,0,0,0|1,0,1]=4 8645 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,1,0,0,0,0|1,0,1]=4 8646 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,1,0,0,0,0|1,0,1]=4 8647 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,1,0,0,0,0|1,0,1]=4 8648 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,1,0,0,0,0|1,0,1]=4 8649 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,1,0,0,0,0|1,0,1]=4 8650 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,1,0,0,0,0|1,0,1]=4 8651 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,1,0,0,0,0|1,0,1]=4 8652 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,1,0,0,0,0|1,0,1]=4 8653 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,1,0,0,0,0|1,0,1]=4 8654 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,1,0,0,0,0|1,0,1]=4 8655 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,1,0,0,0,0|1,0,1]=4 8656 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,1,0,0,0,0|1,0,1]=4 8657 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,1,0,0,0,0|1,0,1]=4 8658 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,1,0,0,0,0|1,0,1]=4 8659 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,1,0,0,0,0|1,0,1]=4 8660 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,1,0,0,0,0|1,0,1]=4 8661 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,1,0,0,0,0|1,0,1]=4 8662 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,1,0,0,0,0|1,0,1]=4 8663 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,1,0,0,0,0|1,0,1]=4 8664 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,1,0,0,0,0|1,0,1]=4 8665 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,1,0,0,0,0|1,0,1]=4 8666 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,1,0,0,0,0|1,0,1]=4 8667 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,1,0,0,0,0|1,0,1]=4 8668 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,1,0,0,0,0|1,0,1]=4 8669 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,1,0,0,0,0|1,0,1]=4 8670 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,1,0,0,0,0|1,0,1]=4 8671 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,1,0,0,0,0|1,0,1]=4 8672 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,1,0,0,0,0|1,0,1]=4 8673 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,1,0,0,0,0|2,0,0]=4 8674 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,1,0,0,0,0|2,0,0]=4 8675 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,1,0,0,0,0|2,0,0]=4 8676 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,1,0,0,0,0|2,0,0]=4 8677 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,1,0,0,0,0|2,0,0]=4 8678 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,1,0,0,0,0|2,0,0]=4 8679 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,1,0,0,0,0|2,0,0]=4 8680 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,1,0,0,0,0|2,0,0]=4 8681 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,1,0,0,0,0|1,0,1]=4 8682 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,1,0,0,0,0|0,0,1]=3 8683 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,1,0,0,0,0|0,0,1]=3 8684 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,1,0,0,0,0|0,0,1]=3 8685 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,1,0,0,0,0|0,0,1]=3 8686 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,1,0,0,0,0|1,0,1]=4 8687 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,1,0,0,0,0|1,0,1]=4 8688 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,1,0,0,0,0|1,0,1]=4 8689 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,1,0,0,0,0|1,0,1]=4 8690 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,1,0,0,0,0|1,0,1]=4 8691 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,1,0,0,0,0|1,0,1]=4 8692 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,1,0,0,0,0|1,0,1]=4 8693 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,1,0,0,0,0|1,0,1]=4 8694 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,1,0,0,0,0|1,0,1]=4 8695 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,1,0,0,0,0|1,0,1]=4 8696 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,1,0,0,0,0|1,0,1]=4 8697 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,1,0,0,0,0|1,0,1]=4 8698 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,1,0,0,0,0|1,0,1]=4 8699 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,1,0,0,0,0|1,0,1]=4 8700 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,1,0,0,0,0|1,0,1]=4 8701 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,1,0,0,0,0|1,0,1]=4 8702 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,1,0,0,0,0|1,0,1]=4 8703 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,1,0,0,0,0|1,0,1]=4 8704 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,1,0,0,0,0|0,1,1]=4 8705 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,1,0,0,0,0|0,1,1]=4 8706 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,1,0,0,0,0|2,0,0]=4 8707 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,1,0,0,0,0|2,0,0]=4 8708 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,1,0,0,0,0|2,0,0]=4 8709 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,1,0,0,0,0|2,0,0]=4 8710 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,1,0,0,0,0|2,0,0]=4 8711 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,1,0,0,0,0|2,0,0]=4 8712 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,1,0,0,0,0|2,0,0]=4 8713 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,1,0,0,0,0|2,0,0]=4 8714 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,1,0,0,0,0|2,0,0]=4 8715 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,1,0,0,0,0|2,0,0]=4 8716 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,1,0,0,0,0|1,0,1]=4 8717 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [1,1,0,0,0,0|1,0,1]=4 8718 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,1,0,0,0,0|1,0,1]=4 8719 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,1,0,0,0,0|1,0,1]=4 8720 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,1,0,0,0,0|1,0,1]=4 8721 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,1,0,0,0,0|1,0,1]=4 8722 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,1,0,0,0,0|1,0,1]=4 8723 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,1,0,0,0,0|1,0,1]=4 8724 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,1,0,0,0,0|1,0,1]=4 8725 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,1,0,0,0,0|1,0,1]=4 8726 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,1,0,0,0,0|1,0,1]=4 8727 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,1,0,0,0,0|1,0,1]=4 8728 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,1,0,0,0,0|1,0,1]=4 8729 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,1,0,0,0,0|1,0,1]=4 8730 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [1,1,0,0,0,0|0,0,2]=4 8731 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,1,0,0,0,0|0,0,2]=4 8732 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [1,1,0,0,0,0|0,0,1]=3 8733 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,1,0,0,0,0|0,0,1]=3 8734 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,1,0,0,0,0|0,0,1]=3 8735 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [1,1,0,0,0,0|0,0,1]=3 8736 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [1,1,0,0,0,0|0,0,1]=3 8737 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [1,1,0,0,0,0|0,0,1]=3 8738 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [1,1,0,0,0,0|0,0,1]=3 8739 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [1,1,0,0,0,0|0,0,1]=3 8740 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [1,1,0,0,0,0|0,0,1]=3 8741 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [1,1,0,0,0,0|0,0,1]=3 8742 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [1,1,0,0,0,0|0,0,1]=3 8743 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,1,0,0,0,0|0,0,1]=3 8744 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,1,0,0,0,0|0,0,1]=3 8745 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,1,0,0,0,0|0,0,1]=3 8746 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,1,0,0,0,0|0,0,1]=3 8747 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,1,0,0,0,0|0,0,1]=3 8748 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,1,0,0,0,0|0,0,1]=3 8749 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,1,0,0,0,0|0,0,1]=3 8750 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,1,0,0,0,0|0,0,1]=3 8751 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,1,0,0,0,0|0,0,1]=3 8752 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,1,0,0,0,0|0,0,1]=3 8753 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,1,0,0,0,0|0,0,1]=3 8754 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,1,0,0,0,0|0,0,1]=3 8755 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,1,0,0,0,0|0,0,1]=3 8756 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,1,0,0,0,0|0,0,1]=3 8757 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [1,1,0,0,0,0|1,0,1]=4 8758 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [1,1,0,0,0,0|1,0,1]=4 8759 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,1,0,0,0,0|0,0,1]=3 8760 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,1,0,0,0,0|0,0,1]=3 8761 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,1,0,0,0,0|0,0,1]=3 8762 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,1,0,0,0,0|0,0,1]=3 8763 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,1,0,0,0,0|0,1,1]=4 8764 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [1,1,0,0,0,0|0,1,1]=4 8765 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [1,1,0,0,0,0|0,1,1]=4 8766 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,1,0,0,0,0|0,1,1]=4 8767 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,1,0,0,0,0|0,1,1]=4 8768 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,1,0,0,0,0|0,1,1]=4 8769 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,1,0,0,0,0|0,1,1]=4 8770 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,1,0,0,0,0|0,1,1]=4 8771 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,1,0,0,0,0|0,1,1]=4 8772 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,1,0,0,0,0|0,1,1]=4 8773 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,1,0,0,0,0|0,1,1]=4 8774 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [1,1,0,0,0,0|1,0,1]=4 8775 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [1,1,0,0,0,0|1,0,1]=4 8776 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,1,0,0,0,0|1,0,1]=4 8777 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,1,0,0,0,0|1,0,1]=4 8778 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,1,0,0,0,0|1,0,1]=4 8779 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,1,0,0,0,0|1,0,1]=4 8780 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,1,0,0,0,0|1,0,1]=4 8781 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,1,0,0,0,0|1,0,1]=4 8782 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,1,0,0,0,0|1,0,1]=4 8783 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,1,0,0,0,0|1,0,1]=4 8784 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,1,0,0,0,0|1,0,1]=4 8785 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,1,0,0,0,0|1,0,1]=4 8786 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,1,0,0,0,0|1,0,1]=4 8787 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,1,0,0,0,0|1,0,1]=4 8788 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [1,1,0,0,0,0|1,0,1]=4 8789 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [1,1,0,0,0,0|1,0,1]=4 8790 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [1,1,0,0,0,0|1,0,1]=4 8791 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [1,1,0,0,0,0|1,0,1]=4 8792 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [1,1,0,0,0,0|1,0,1]=4 8793 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [1,1,0,0,0,0|0,0,1]=3 8794 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [1,1,0,0,0,0|1,0,1]=4 8795 B10R0.71 CCCCNN=CCCSC 4a_100025702795_100000210997 [1,1,0,0,0,0|2,0,0]=4 8796 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [1,1,0,0,0,0|0,0,2]=4 8797 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,1,0,0,0,0|0,0,2]=4 8798 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,1,0,0,0,0|0,0,1]=3 8799 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,1,0,0,0,0|0,0,1]=3 8800 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,1,0,0,0,0|0,0,1]=3 8801 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,1,0,0,0,0|0,0,1]=3 8802 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,1,0,0,0,0|0,0,1]=3 8803 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,1,0,0,0,0|0,0,1]=3 8804 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,1,0,0,0,0|0,0,1]=3 8805 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,1,0,0,0,0|0,0,1]=3 8806 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,1,0,0,0,0|0,0,1]=3 8807 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,1,0,0,0,0|0,0,1]=3 8808 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,1,0,0,0,0|0,0,1]=3 8809 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,1,0,0,0,0|0,0,1]=3 8810 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,1,0,0,0,0|0,0,1]=3 8811 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,1,0,0,0,0|0,0,1]=3 8812 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,1,0,0,0,0|0,0,1]=3 8813 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,1,0,0,0,0|0,0,1]=3 8814 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,1,0,0,0,0|0,0,1]=3 8815 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,1,0,0,0,0|0,0,1]=3 8816 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,1,0,0,0,0|0,0,1]=3 8817 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,1,0,0,0,0|0,0,1]=3 8818 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,1,0,0,0,0|0,0,1]=3 8819 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,1,0,0,0,0|0,0,1]=3 8820 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [1,1,0,0,0,0|1,0,1]=4 8821 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,1,0,0,0,0|0,0,1]=3 8822 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,1,0,0,0,0|0,0,1]=3 8823 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,1,0,0,0,0|0,0,1]=3 8824 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,1,0,0,0,0|0,0,1]=3 8825 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,1,0,0,0,0|0,0,1]=3 8826 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,1,0,0,0,0|0,0,1]=3 8827 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [1,1,0,0,0,0|1,0,1]=4 8828 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [1,1,0,0,0,0|1,0,1]=4 8829 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,1,0,0,0,0|0,0,1]=3 8830 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,1,0,0,0,0|0,0,1]=3 8831 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [1,1,0,0,0,0|1,0,1]=4 8832 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [1,1,0,0,0,0|1,0,1]=4 8833 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [1,1,0,0,0,0|1,0,1]=4 8834 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [1,1,0,0,0,0|1,0,1]=4 8835 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [1,1,0,0,0,0|1,0,1]=4 8836 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [1,1,0,0,0,0|1,0,1]=4 8837 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [1,1,0,0,0,0|0,0,1]=3 8838 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [1,1,0,0,0,0|0,0,1]=3 8839 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [1,1,0,0,0,0|0,0,1]=3 8840 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [1,1,0,0,0,0|0,0,1]=3 8841 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [1,1,0,0,0,0|0,0,1]=3 8842 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [1,1,0,0,0,0|0,0,1]=3 8843 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [1,1,0,0,0,0|0,0,1]=3 8844 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [1,1,0,0,0,0|1,0,1]=4 8845 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [1,1,0,0,0,0|1,0,1]=4 8846 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [1,1,0,0,0,0|1,0,1]=4 8847 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [1,1,0,0,0,0|1,0,1]=4 8848 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [1,1,0,0,0,0|1,0,1]=4 8849 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [1,1,0,0,0,0|1,0,1]=4 8850 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [1,1,0,0,0,0|1,0,1]=4 8851 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [1,1,0,0,0,0|1,0,1]=4 8852 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [1,1,0,0,0,0|1,0,1]=4 8853 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [1,1,0,0,0,0|1,0,1]=4 8854 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [1,1,0,0,0,0|1,0,1]=4 8855 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [1,1,0,0,0,0|1,0,1]=4 8856 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [1,1,0,0,0,0|1,0,1]=4 8857 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [1,1,0,0,0,0|1,0,1]=4 8858 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [1,1,0,0,0,0|1,0,1]=4 8859 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [1,1,0,0,0,0|0,0,1]=3 8860 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [1,1,0,0,0,0|0,0,1]=3 8861 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [1,1,0,0,0,0|0,0,1]=3 8862 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [1,1,0,0,0,0|0,0,1]=3 8863 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [1,1,0,0,0,0|1,0,1]=4 8864 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [1,1,0,0,0,0|1,0,1]=4 8865 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [1,1,0,0,0,0|1,0,1]=4 8866 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [1,1,0,0,0,0|1,0,1]=4 8867 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [1,1,0,0,0,0|1,0,1]=4 8868 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [1,1,0,0,0,0|1,0,1]=4 8869 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [1,1,0,0,0,0|1,0,1]=4 8870 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [1,1,0,0,0,0|1,0,1]=4 8871 B10R0.71 CCCCOCNCCCF 2230a_100015189416_100011995733 [1,1,0,0,0,0|1,0,1]=4 8872 B10R0.71 CCCCOCNCCCF 34a_100015189416_100011995733 [1,1,0,0,0,0|1,0,1]=4 8873 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [1,1,0,0,0,0|1,0,1]=4 8874 B10R0.71 CCCCOCNCCSC 2230a_100020590264_100011995733 [1,1,0,0,0,0|1,0,1]=4 8875 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [1,1,0,0,0,0|1,0,1]=4 8876 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [1,1,0,0,0,0|0,0,1]=3 8877 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [1,1,0,0,0,0|1,0,1]=4 8878 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [1,1,0,0,0,0|1,0,1]=4 8879 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [1,1,0,0,0,0|1,0,1]=4 8880 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [1,1,0,0,0,0|1,0,1]=4 8881 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [1,1,0,0,0,0|1,0,1]=4 8882 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [1,1,0,0,0,0|0,0,1]=3 8883 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [1,1,0,0,0,0|0,0,1]=3 8884 B10R0.71 CCCCOCSCCCF 62a_100011934791_100011995733 [1,1,0,0,0,0|1,0,1]=4 8885 B10R0.71 CCCCOCSCCCF 62a_100011995733_100011934791 [1,1,0,0,0,0|1,0,1]=4 8886 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [1,1,0,0,0,0|1,0,1]=4 8887 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [1,1,0,0,0,0|1,0,1]=4 8888 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [1,1,0,0,0,0|1,0,1]=4 8889 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [1,1,0,0,0,0|1,0,1]=4 8890 B10R0.71 CCCCOCSCCSC 62a_100000212216_100011995733 [1,1,0,0,0,0|1,0,1]=4 8891 B10R0.71 CCCCOCSCCSC 62a_100011995733_100000751147 [1,1,0,0,0,0|1,0,1]=4 8892 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [1,1,0,0,0,0|1,0,1]=4 8893 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [1,1,0,0,0,0|1,0,1]=4 8894 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [1,1,0,0,0,0|0,1,1]=4 8895 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [1,1,0,0,0,0|0,1,1]=4 8896 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,1,0,0,0,0|0,1,1]=4 8897 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,1,0,0,0,0|0,1,1]=4 8898 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,1,0,0,0,0|0,1,1]=4 8899 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,1,0,0,0,0|0,1,1]=4 8900 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,1,0,0,0,0|0,1,1]=4 8901 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,1,0,0,0,0|0,1,1]=4 8902 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [1,1,0,0,0,0|0,1,1]=4 8903 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [1,1,0,0,0,0|0,1,1]=4 8904 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [1,1,0,0,0,0|0,1,1]=4 8905 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [1,1,0,0,0,0|0,1,1]=4 8906 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [1,1,0,0,0,0|0,1,1]=4 8907 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [1,1,0,0,0,0|1,0,1]=4 8908 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [1,1,0,0,0,0|1,0,1]=4 8909 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,1,0,0,0,0|2,0,0]=4 8910 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,1,0,0,0,0|2,0,0]=4 8911 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,1,0,0,0,0|2,0,0]=4 8912 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,1,0,0,0,0|2,0,0]=4 8913 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [1,1,0,0,0,0|2,0,0]=4 8914 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [1,1,0,0,0,0|2,0,0]=4 8915 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [1,1,0,0,0,0|1,0,1]=4 8916 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [1,1,0,0,0,0|1,0,1]=4 8917 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,1,0,0,0,0|2,0,0]=4 8918 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,1,0,0,0,0|2,0,0]=4 8919 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,1,0,0,0,0|2,0,0]=4 8920 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,1,0,0,0,0|2,0,0]=4 8921 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,1,0,0,0,0|2,0,0]=4 8922 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,1,0,0,0,0|2,0,0]=4 8923 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,1,0,0,0,0|2,0,0]=4 8924 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,1,0,0,0,0|2,0,0]=4 8925 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,1,0,0,0,0|2,0,0]=4 8926 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,1,0,0,0,0|2,0,0]=4 8927 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [1,1,0,0,0,0|1,0,1]=4 8928 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [1,1,0,0,0,0|1,0,1]=4 8929 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [1,1,0,0,0,0|1,0,1]=4 8930 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [1,1,0,0,0,0|1,0,1]=4 8931 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [1,1,0,0,0,0|1,0,1]=4 8932 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [1,1,0,0,0,0|1,0,1]=4 8933 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [1,1,0,0,0,0|1,0,1]=4 8934 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [1,1,0,0,0,0|1,0,1]=4 8935 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [1,1,0,0,0,0|1,0,1]=4 8936 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [1,1,0,0,0,0|1,0,1]=4 8937 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [1,1,0,0,0,0|1,0,1]=4 8938 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [1,1,0,0,0,0|1,0,1]=4 8939 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [1,1,0,0,0,0|1,0,1]=4 8940 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [1,1,0,0,0,0|1,0,1]=4 8941 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [1,1,0,0,0,0|1,0,1]=4 8942 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [1,1,0,0,0,0|1,0,1]=4 8943 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [1,1,0,0,0,0|1,0,1]=4 8944 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [1,1,0,0,0,0|1,0,1]=4 8945 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [1,1,0,0,0,0|1,0,1]=4 8946 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [1,1,0,0,0,0|1,0,1]=4 8947 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [1,1,0,0,0,0|1,0,1]=4 8948 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [1,1,0,0,0,0|1,0,1]=4 8949 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [1,1,0,0,0,0|1,0,1]=4 8950 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,1,0,0,0,0|2,0,0]=4 8951 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,1,0,0,0,0|2,0,0]=4 8952 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,1,0,0,0,0|2,0,0]=4 8953 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,1,0,0,0,0|2,0,0]=4 8954 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [1,1,0,0,0,0|1,0,1]=4 8955 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [1,1,0,0,0,0|1,0,1]=4 8956 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [1,1,0,0,0,0|1,0,1]=4 8957 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [1,1,0,0,0,0|1,0,1]=4 8958 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [1,1,0,0,0,0|1,0,1]=4 8959 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [1,1,0,0,0,0|1,0,1]=4 8960 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [1,1,0,0,0,0|1,0,1]=4 8961 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [1,1,0,0,0,0|1,0,1]=4 8962 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [1,1,0,0,0,0|1,0,1]=4 8963 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [1,1,0,0,0,0|1,0,1]=4 8964 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [1,1,0,0,0,0|1,0,1]=4 8965 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [1,1,0,0,0,0|1,0,1]=4 8966 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [1,1,0,0,0,0|1,0,1]=4 8967 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [1,1,0,0,0,0|1,0,1]=4 8968 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [1,1,0,0,0,0|1,0,1]=4 8969 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [1,1,0,0,0,0|1,0,1]=4 8970 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [1,1,0,0,0,0|1,0,1]=4 8971 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [1,1,0,0,0,0|1,0,1]=4 8972 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [1,1,0,0,0,0|1,0,1]=4 8973 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [1,1,0,0,0,0|1,0,1]=4 8974 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [1,1,0,0,0,0|1,0,1]=4 8975 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [1,1,0,0,0,0|1,0,1]=4 8976 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [1,1,0,0,0,0|1,0,1]=4 8977 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [1,1,0,0,0,0|1,0,1]=4 8978 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [1,1,0,0,0,0|1,0,1]=4 8979 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,1,0,0,0,0|1,0,1]=4 8980 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,1,0,0,0,0|1,0,1]=4 8981 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [1,1,0,0,0,0|1,0,1]=4 8982 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [1,1,0,0,0,0|1,0,1]=4 8983 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [1,1,0,0,0,0|1,0,1]=4 8984 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [1,1,0,0,0,0|1,0,1]=4 8985 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [1,1,0,0,0,0|1,0,1]=4 8986 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [1,1,0,0,0,0|1,0,1]=4 8987 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [1,1,0,0,0,0|1,0,1]=4 8988 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [1,1,0,0,0,0|1,0,1]=4 8989 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [1,1,0,0,0,0|1,0,1]=4 8990 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [1,1,0,0,0,0|1,0,1]=4 8991 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [1,1,0,0,0,0|1,0,1]=4 8992 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [1,1,0,0,0,0|1,0,1]=4 8993 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [1,1,0,0,0,0|1,0,1]=4 8994 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [1,1,0,0,0,0|1,0,1]=4 8995 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [1,1,0,0,0,0|1,0,1]=4 8996 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [1,1,0,0,0,0|1,0,1]=4 8997 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [1,1,0,0,0,0|1,0,1]=4 8998 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [1,1,0,0,0,0|1,0,1]=4 8999 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [1,1,0,0,0,0|1,0,1]=4 9000 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [1,1,0,0,0,0|1,0,1]=4 9001 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [1,1,0,0,0,0|1,0,1]=4 9002 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [1,1,0,0,0,0|1,0,1]=4 9003 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [1,1,0,0,0,0|1,0,1]=4 9004 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [1,1,0,0,0,0|1,0,1]=4 9005 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [1,1,0,0,0,0|1,0,1]=4 9006 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [1,1,0,0,0,0|1,0,1]=4 9007 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [1,1,0,0,0,0|1,0,1]=4 9008 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [1,1,0,0,0,0|1,0,1]=4 9009 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [1,1,0,0,0,0|1,0,1]=4 9010 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [1,1,0,0,0,0|1,0,1]=4 9011 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [1,1,0,0,0,0|1,0,1]=4 9012 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [1,1,0,0,0,0|1,0,1]=4 9013 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [1,1,0,0,0,0|1,0,1]=4 9014 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [1,1,0,0,0,0|1,0,1]=4 9015 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [1,1,0,0,0,0|1,0,1]=4 9016 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [1,1,0,0,0,0|1,0,1]=4 9017 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [1,1,0,0,0,0|1,0,1]=4 9018 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [1,1,0,0,0,0|1,0,1]=4 9019 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [1,1,0,0,0,0|1,0,1]=4 9020 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [1,1,0,0,0,0|1,0,1]=4 9021 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [1,1,0,0,0,0|1,0,1]=4 9022 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [1,1,0,0,0,0|1,0,1]=4 9023 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [1,1,0,0,0,0|1,0,1]=4 9024 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [1,1,0,0,0,0|1,0,1]=4 9025 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [1,1,0,0,0,0|1,0,1]=4 9026 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [1,1,0,0,0,0|1,0,1]=4 9027 B10R0.71 CCSCCOCCCCBr 34a_100011216708_100000757381 [1,1,0,0,0,0|1,0,1]=4 9028 B10R0.71 CCSCCOCCCCCl 34a_100000210776_100000757381 [1,1,0,0,0,0|1,0,1]=4 9029 B10R0.71 CCSCCOCCCCCl 7a_100000210776_100000757381 [1,1,0,0,0,0|1,0,1]=4 9030 B10R0.71 CCSCCOCCCCF 34a_100000212035_100000729493 [1,1,0,0,0,0|1,0,1]=4 9031 B10R0.71 CCSCCOCCCCF 34a_100011995726_100000757381 [1,1,0,0,0,0|1,0,1]=4 9032 B10R0.71 CCSCCOCCCCF 7a_100000212035_100000729493 [1,1,0,0,0,0|1,0,1]=4 9033 B10R0.71 CCSCCOCCCCF 7a_100011995726_100000757381 [1,1,0,0,0,0|1,0,1]=4 9034 B10R0.71 CCSCCOCCCCI 34a_200012148704_100000757381 [1,1,0,0,0,0|1,0,1]=4 9035 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [1,1,0,0,0,0|1,0,1]=4 9036 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [1,1,0,0,0,0|1,0,1]=4 9037 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [1,1,0,0,0,0|1,0,1]=4 9038 B10R0.71 CCSCCOCCCNC 34a_100000213112_100000757381 [1,1,0,0,0,0|1,0,1]=4 9039 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [1,1,0,0,0,0|1,0,1]=4 9040 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [1,1,0,0,0,0|1,0,1]=4 9041 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [1,1,0,0,0,0|1,0,1]=4 9042 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [1,1,0,0,0,0|1,0,1]=4 9043 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [1,1,0,0,0,0|1,0,1]=4 9044 B10R0.71 CCSCCOCCSCC 34a_100000212035_100000757381 [1,1,0,0,0,0|1,0,1]=4 9045 B10R0.71 CCSCCOCCSCC 7a_100000212035_100000757381 [1,1,0,0,0,0|1,0,1]=4 9046 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [1,1,0,0,0,0|1,0,1]=4 9047 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [1,1,0,0,0,0|1,0,1]=4 9048 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [1,1,0,0,0,0|1,0,1]=4 9049 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [1,1,0,0,0,0|1,0,1]=4 9050 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [1,1,0,0,0,0|1,0,1]=4 9051 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [1,1,0,0,0,0|1,0,1]=4 9052 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [1,1,0,0,0,0|1,0,1]=4 9053 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [1,1,0,0,0,0|1,0,1]=4 9054 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,1,0,0,0,0|1,0,1]=4 9055 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [1,1,0,0,0,0|1,0,1]=4 9056 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [1,1,0,0,0,0|1,0,1]=4 9057 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [1,1,0,0,0,0|1,0,1]=4 9058 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [1,1,0,0,0,0|1,0,1]=4 9059 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [1,1,0,0,0,0|1,0,1]=4 9060 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [1,1,0,0,0,0|1,0,1]=4 9061 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [1,1,0,0,0,0|1,0,1]=4 9062 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [1,1,0,0,0,0|1,0,1]=4 9063 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [1,1,0,0,0,0|1,0,1]=4 9064 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [1,1,0,0,0,0|1,0,1]=4 9065 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [1,1,0,0,0,0|1,0,1]=4 9066 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [1,1,0,0,0,0|1,0,1]=4 9067 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [1,1,0,0,0,0|1,0,1]=4 9068 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [1,1,0,0,0,0|1,0,1]=4 9069 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [1,1,0,0,0,0|1,0,1]=4 9070 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [1,1,0,0,0,0|1,0,1]=4 9071 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [1,1,0,0,0,0|1,0,1]=4 9072 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [1,1,0,0,0,0|1,0,1]=4 9073 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [1,1,0,0,0,0|1,0,1]=4 9074 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [1,1,0,0,0,0|1,0,1]=4 9075 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [1,1,0,0,0,0|1,0,1]=4 9076 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [1,1,0,0,0,0|1,0,1]=4 9077 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [1,1,0,0,0,0|1,0,1]=4 9078 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [1,1,0,0,0,0|1,0,1]=4 9079 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [1,1,0,0,0,0|1,0,1]=4 9080 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [1,1,0,0,0,0|1,0,1]=4 9081 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [1,1,0,0,0,0|1,0,1]=4 9082 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [1,1,0,0,0,0|1,0,1]=4 9083 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [1,1,0,0,0,0|1,0,1]=4 9084 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,1,0,0,0,0|1,0,1]=4 9085 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [1,1,0,0,0,0|1,0,1]=4 9086 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [1,1,0,0,0,0|1,0,1]=4 9087 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [1,1,0,0,0,0|1,0,1]=4 9088 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [1,1,0,0,0,0|1,0,1]=4 9089 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [1,1,0,0,0,0|1,0,1]=4 9090 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [1,1,0,0,0,0|1,0,1]=4 9091 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [1,1,0,0,0,0|1,0,1]=4 9092 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [1,1,0,0,0,0|1,0,1]=4 9093 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [1,1,0,0,0,0|1,0,1]=4 9094 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [1,1,0,0,0,0|1,0,1]=4 9095 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [1,1,0,0,0,0|1,0,1]=4 9096 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [1,1,0,0,0,0|1,0,1]=4 9097 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [1,1,0,0,0,0|1,0,1]=4 9098 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [1,1,0,0,0,0|1,0,1]=4 9099 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [1,1,0,0,0,0|1,0,1]=4 9100 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [1,1,0,0,0,0|1,0,1]=4 9101 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [1,1,0,0,0,0|1,0,1]=4 9102 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [1,1,0,0,0,0|1,0,1]=4 9103 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [1,1,0,0,0,0|1,0,1]=4 9104 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [1,1,0,0,0,0|1,0,1]=4 9105 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [1,1,0,0,0,0|1,0,1]=4 9106 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [1,1,0,0,0,0|1,0,1]=4 9107 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [1,1,0,0,0,0|1,0,1]=4 9108 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [1,1,0,0,0,0|1,0,1]=4 9109 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [1,1,0,0,0,0|1,0,1]=4 9110 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [1,1,0,0,0,0|1,0,1]=4 9111 B10R0.71 FCCCCOCCCCBr 34a_100011216708_100000729493 [1,1,0,0,0,0|1,0,1]=4 9112 B10R0.71 FCCCCOCCCCCl 34a_100000210776_100000729493 [1,1,0,0,0,0|1,0,1]=4 9113 B10R0.71 FCCCCOCCCCCl 7a_100000210776_100000729493 [1,1,0,0,0,0|1,0,1]=4 9114 B10R0.71 FCCCCOCCCCF 34a_100011995726_100000729493 [1,1,0,0,0,0|1,0,1]=4 9115 B10R0.71 FCCCCOCCCCF 7a_100011995726_100000729493 [1,1,0,0,0,0|1,0,1]=4 9116 B10R0.71 FCCCCOCCCCI 34a_200012148704_100000729493 [1,1,0,0,0,0|1,0,1]=4 9117 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [1,1,0,0,0,0|1,0,1]=4 9118 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [1,1,0,0,0,0|1,0,1]=4 9119 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [1,1,0,0,0,0|1,0,1]=4 9120 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [1,1,0,0,0,0|1,0,1]=4 9121 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [1,1,0,0,0,0|1,0,1]=4 9122 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [1,1,0,0,0,0|1,0,1]=4 9123 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [1,1,0,0,0,0|1,0,1]=4 9124 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [1,1,0,0,0,0|1,0,1]=4 9125 B10R0.71 NCCCCOCCCCF 34a_100000750430_100000729493 [1,1,0,0,0,0|1,0,1]=4 9126 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [1,1,0,0,0,0|1,0,1]=4 9127 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [1,1,0,0,0,0|1,0,1]=4 9128 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [1,1,0,0,0,0|1,0,1]=4 9129 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [1,1,0,0,0,0|1,0,1]=4 9130 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [1,1,0,0,0,0|1,0,1]=4 9131 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [1,1,0,0,0,0|1,0,1]=4 9132 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [1,1,0,0,0,0|1,0,1]=4 9133 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [1,1,0,0,0,0|1,0,1]=4 9134 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [1,1,0,0,0,0|1,0,1]=4 9135 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [1,1,0,0,0,0|1,0,1]=4 9136 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [1,1,0,0,0,0|1,0,1]=4 9137 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [1,1,0,0,0,0|1,0,1]=4 9138 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [1,1,0,0,0,0|1,0,1]=4 9139 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [1,1,0,0,0,0|1,0,1]=4 9140 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [1,1,0,0,0,0|1,0,1]=4 9141 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [1,1,0,0,0,0|1,0,1]=4 9142 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [1,1,0,0,0,0|1,0,1]=4 9143 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [1,1,0,0,0,0|1,0,1]=4 9144 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [1,1,0,0,0,0|1,0,1]=4 9145 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [1,1,0,0,0,0|1,0,1]=4 9146 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [1,1,0,0,0,0|1,0,1]=4 9147 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [1,1,0,0,0,0|1,0,1]=4 9148 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [1,1,0,0,0,0|1,0,1]=4 9149 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [1,1,0,0,0,0|1,0,1]=4 9150 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [1,1,0,0,0,0|1,0,1]=4 9151 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [1,1,0,0,0,0|1,0,1]=4 9152 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [1,1,0,0,0,0|1,0,1]=4 9153 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [1,1,0,0,0,0|1,0,1]=4 9154 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [1,1,0,0,0,0|1,0,1]=4 9155 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [1,1,0,0,0,0|1,0,1]=4 9156 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [1,1,0,0,0,0|1,0,1]=4 9157 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [1,1,0,0,0,0|1,0,1]=4 9158 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [1,1,0,0,0,0|1,0,1]=4 9159 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [1,1,0,0,0,0|1,0,1]=4 9160 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [1,1,0,0,0,0|1,0,1]=4 9161 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [1,1,0,0,0,0|1,0,1]=4 9162 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [1,1,0,0,0,0|1,0,1]=4 9163 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [1,1,0,0,0,0|1,0,1]=4 9164 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [1,1,0,0,0,0|1,0,1]=4 9165 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [1,1,0,0,0,0|1,0,1]=4 9166 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [1,1,0,0,0,0|1,0,1]=4 9167 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [1,1,0,0,0,0|1,0,1]=4 9168 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [1,1,0,0,0,0|1,0,1]=4 9169 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [1,1,0,0,0,0|1,0,1]=4 9170 B10R0.74 CCC/C=C/COC(C)CC 34a_100016278788_100011215416 [1,1,0,0,0,0|2,0,0]=4 9171 B10R0.74 CCC/C=C/COC(C)CC 7a_100016278788_100000758301 [1,1,0,0,0,0|2,0,0]=4 9172 B10R0.74 CCCC=NNCC(O)CC 4a_100015206393_100000185831 [1,1,0,0,0,0|2,0,0]=4 9173 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [1,1,0,0,0,0|1,0,1]=4 9174 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [1,1,0,0,0,0|2,0,0]=4 9175 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [1,1,0,0,0,0|2,0,0]=4 9176 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [1,1,0,0,0,0|2,0,0]=4 9177 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [1,1,0,0,0,0|2,0,0]=4 9178 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [1,1,0,0,0,0|2,0,0]=4 9179 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [1,1,0,0,0,0|2,0,0]=4 9180 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [1,1,0,0,0,0|2,0,0]=4 9181 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [1,1,0,0,0,0|1,0,1]=4 9182 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [1,1,0,0,0,0|1,0,1]=4 9183 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [1,1,0,0,0,0|1,0,1]=4 9184 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [1,1,0,0,0,0|1,0,1]=4 9185 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [1,1,0,0,0,0|1,0,1]=4 9186 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [1,1,0,0,0,0|1,0,1]=4 9187 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [1,1,0,0,0,0|0,0,2]=4 9188 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [1,1,0,0,0,0|0,0,2]=4 9189 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [1,1,0,0,0,0|0,0,1]=3 9190 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [1,1,0,0,0,0|0,0,1]=3 9191 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [1,1,0,0,0,0|1,0,1]=4 9192 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [1,1,0,0,0,0|1,0,1]=4 9193 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [1,1,0,0,0,0|1,0,1]=4 9194 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [1,1,0,0,0,0|0,0,1]=3 9195 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [1,1,0,0,0,0|0,0,1]=3 9196 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [1,1,0,0,0,0|1,0,1]=4 9197 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [1,1,0,0,0,0|1,0,1]=4 9198 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [1,1,0,0,0,0|0,0,1]=3 9199 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [1,1,0,0,0,0|0,0,1]=3 9200 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [1,1,0,0,0,0|0,0,1]=3 9201 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [1,1,0,0,0,0|1,0,1]=4 9202 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [1,1,0,0,0,0|1,0,1]=4 9203 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [1,1,0,0,0,0|1,0,1]=4 9204 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [1,1,0,0,0,0|1,0,1]=4 9205 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [1,1,0,0,0,0|1,0,1]=4 9206 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [1,1,0,0,0,0|1,0,1]=4 9207 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [1,1,0,0,0,0|1,0,1]=4 9208 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [1,1,0,0,0,0|0,1,1]=4 9209 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [1,1,0,0,0,0|0,1,1]=4 9210 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [1,1,0,0,0,0|0,1,1]=4 9211 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [1,1,0,0,0,0|0,1,1]=4 9212 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [1,1,0,0,0,0|0,1,1]=4 9213 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [1,1,0,0,0,0|0,1,1]=4 9214 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [1,1,0,0,0,0|1,0,1]=4 9215 B10R0.74 CCCCNN=CC(C)CC 4a_100025702795_100000243153 [1,1,0,0,0,0|2,0,0]=4 9216 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [1,1,0,0,0,0|0,0,2]=4 9217 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [1,1,0,0,0,0|0,0,1]=3 9218 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [1,1,0,0,0,0|1,0,1]=4 9219 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [1,1,0,0,0,0|1,0,1]=4 9220 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [1,1,0,0,0,0|1,0,1]=4 9221 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [1,1,0,0,0,0|1,0,1]=4 9222 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [1,1,0,0,0,0|1,0,1]=4 9223 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [1,1,0,0,0,0|1,0,1]=4 9224 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [1,1,0,0,0,0|2,0,0]=4 9225 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [1,1,0,0,0,0|1,0,1]=4 9226 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [1,1,0,0,0,0|1,0,1]=4 9227 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [1,1,0,0,0,0|1,0,1]=4 9228 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [1,1,0,0,0,0|1,0,1]=4 9229 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [1,1,0,0,0,0|1,0,1]=4 9230 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [1,1,0,0,0,0|1,0,1]=4 9231 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [1,1,0,0,0,0|1,0,1]=4 9232 B10R0.74 CCSCCOCC(C)CC 34a_100000212035_100000748023 [1,1,0,0,0,0|1,0,1]=4 9233 B10R0.74 CCSCCOCC(C)CC 7a_100000212035_100000748023 [1,1,0,0,0,0|1,0,1]=4 9234 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [1,1,0,0,0,0|1,0,1]=4 9235 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [1,1,0,0,0,0|1,0,1]=4 9236 B10R0.74 CCSCCOC[C@@H](C)CC 34a_100000212035_100009816398 [1,1,0,0,0,0|1,0,1]=4 9237 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100000212035_100009816398 [1,1,0,0,0,0|1,0,1]=4 9238 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100009816381_100000757381 [1,1,0,0,0,0|1,0,1]=4 9239 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [1,1,0,0,0,0|1,0,1]=4 9240 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [1,1,0,0,0,0|1,0,1]=4 9241 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [1,1,0,0,0,0|1,0,1]=4 9242 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [1,1,0,0,0,0|1,0,1]=4 9243 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [1,1,0,0,0,0|1,0,1]=4 9244 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [1,1,0,0,0,0|1,0,1]=4 9245 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [1,1,0,0,0,0|1,0,1]=4 9246 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [1,1,0,0,0,0|1,0,1]=4 9247 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [1,1,0,0,0,0|1,0,1]=4 9248 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [1,1,0,0,0,0|1,0,1]=4 9249 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [1,1,0,0,0,0|1,0,1]=4 9250 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [1,1,0,0,0,0|1,0,1]=4 9251 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [1,1,0,0,0,0|1,0,1]=4 9252 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [1,1,0,0,0,0|1,0,1]=4 9253 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [1,1,0,0,0,0|1,0,1]=4 9254 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [1,1,0,0,0,0|1,0,0]=3 9255 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [1,1,0,0,0,0|1,0,0]=3 9256 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [1,1,0,0,0,0|1,0,0]=3 9257 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [1,1,0,0,0,0|1,0,0]=3 9258 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [1,1,0,0,0,0|2,0,0]=4 9259 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [1,1,0,0,0,0|2,0,0]=4 9260 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [1,1,0,0,0,0|2,0,0]=4 9261 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [1,1,0,0,0,0|2,0,0]=4 9262 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [1,1,0,0,0,0|2,0,0]=4 9263 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [1,1,0,0,0,0|2,0,0]=4 9264 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [1,1,0,0,0,0|2,0,0]=4 9265 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [1,1,0,0,0,0|2,0,0]=4 9266 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [1,1,0,0,0,0|1,0,1]=4 9267 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [1,1,0,0,0,0|1,0,1]=4 9268 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [1,1,0,0,0,0|1,0,1]=4 9269 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [1,1,0,0,0,0|2,0,0]=4 9270 B10R0.41 C#CC(CC)OCCCCC 34a_100000758843_100000718602 [1,1,0,0,0,0|1,0,1]=4 9271 B10R0.41 C#CC(CC)OCCCCC 7a_100000758843_100000210326 [1,1,0,0,0,0|1,0,1]=4 9272 B10R0.41 C=CC(CC)OCCCCC 34a_100000766422_100000718602 [1,1,0,0,0,0|1,0,1]=4 9273 B10R0.41 C=CC(CC)OCCCCC 7a_100000766422_100000210326 [1,1,0,0,0,0|1,0,1]=4 9274 B10R0.41 CCCCCOC(CC)CC 7a_100000210253_100000210505 [1,1,0,0,0,0|1,0,1]=4 9275 B10R0.41 CCCCCOC(CC)CC 7a_100000688536_100000210326 [1,1,0,0,0,0|1,0,1]=4 9276 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [1,1,0,0,0,0|2,0,0]=4 9277 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [1,1,0,0,0,0|2,0,0]=4 9278 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [1,1,0,0,0,0|2,0,0]=4 9279 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [1,1,0,0,0,0|2,0,0]=4 9280 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,1,0,0,0,0|1,0,1]=4 9281 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [1,1,0,0,0,0|1,0,0]=3 9282 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [1,1,0,0,0,0|1,0,0]=3 9283 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [1,1,0,0,0,0|2,0,0]=4 9284 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [1,1,0,0,0,0|2,0,0]=4 9285 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [1,1,0,0,0,0|2,0,0]=4 9286 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [1,1,0,0,0,0|2,0,0]=4 9287 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [1,1,0,0,0,0|2,0,0]=4 9288 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [1,1,0,0,0,0|2,0,0]=4 9289 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [1,1,0,0,0,0|2,0,0]=4 9290 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [1,1,0,0,0,0|1,0,0]=3 9291 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [1,1,0,0,0,0|1,0,0]=3 9292 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [1,1,0,0,0,0|1,0,0]=3 9293 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [1,1,0,0,0,0|1,0,0]=3 9294 B10R0.55 CCC(=O)NCCCN(C)C 240690a_102531767803_100000210414 [1,1,0,0,0,0|2,0,0]=4 9295 B10R0.55 CCC(=O)NCCCN(C)C 527a_102531767803_100000210414 [1,1,0,0,0,0|2,0,0]=4 9296 B10R0.55 CCC(=O)NCCCS(=O)C 11a_200000753449_100000210414 [1,1,0,0,0,0|2,0,0]=4 9297 B10R0.55 CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210414 [1,1,0,0,0,0|2,0,0]=4 9298 B10R0.55 CCC(=O)NCCCS(=O)C 527a_200000753449_100000210414 [1,1,0,0,0,0|2,0,0]=4 9299 B10R0.55 CCC(=O)NCCNC(C)C 34a_100132302217_100000210206 [1,1,0,0,0,0|2,0,0]=4 9300 B10R0.55 CCC(=O)NCCOC(C)C 11a_100000701111_100000210414 [1,1,0,0,0,0|2,0,0]=4 9301 B10R0.55 CCC(=O)NCCOC(C)C 1626a_100000701111_100000210414 [1,1,0,0,0,0|2,0,0]=4 9302 B10R0.55 CCC(=O)NCCOC(C)C 240690a_100000701111_100000210414 [1,1,0,0,0,0|2,0,0]=4 9303 B10R0.55 CCC(=O)NCCOC(C)C 34a_200000158885_100000210206 [1,1,0,0,0,0|2,0,0]=4 9304 B10R0.55 CCC(=O)NCCOC(C)C 527a_100000701111_100000210414 [1,1,0,0,0,0|2,0,0]=4 9305 B10R0.55 CCC(=O)NCCOC(C)C 7a_200000158885_100000210206 [1,1,0,0,0,0|2,0,0]=4 9306 B10R0.55 CCC(=O)NCCSC(C)C 11a_100000731138_100000210414 [1,1,0,0,0,0|2,0,0]=4 9307 B10R0.55 CCC(=O)NCCSC(C)C 1626a_100000731138_100000210414 [1,1,0,0,0,0|2,0,0]=4 9308 B10R0.55 CCC(=O)NCCSC(C)C 240690a_100000731138_100000210414 [1,1,0,0,0,0|2,0,0]=4 9309 B10R0.55 CCC(=O)NCCSC(C)C 527a_100000731138_100000210414 [1,1,0,0,0,0|2,0,0]=4 9310 B10R0.55 CCC(=O)OCCOC(C)C 7a_200000031056_100000210206 [1,1,0,0,0,0|1,0,0]=3 9311 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [1,1,0,0,0,0|1,0,1]=4 9312 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [1,1,0,0,0,0|1,0,1]=4 9313 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [1,1,0,0,0,0|1,0,1]=4 9314 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [1,1,0,0,0,0|1,0,1]=4 9315 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [1,1,0,0,0,0|2,0,0]=4 9316 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [1,1,0,0,0,0|2,0,0]=4 9317 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [1,1,0,0,0,0|2,0,0]=4 9318 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [1,1,0,0,0,0|2,0,0]=4 9319 B10R0.55 CNC(=O)NCCCC(C)C 2708a_100102657272_200000737386 [1,1,0,0,0,0|2,0,0]=4 9320 B10R0.55 CNC(=O)NCCCC(C)C 2708a_200000737386_106832991635 [1,1,0,0,0,0|2,0,0]=4 9321 B10R0.55 CNC(=O)NCCCC(C)C 273464a_100102657272_200000737386 [1,1,0,0,0,0|2,0,0]=4 9322 B10R0.55 CNC(=O)NCCCC(C)C 273464a_200000737386_100102657272 [1,1,0,0,0,0|2,0,0]=4 9323 B10R0.55 CNC(=O)NCCCC(C)C 512a_106832991638_200000737386 [1,1,0,0,0,0|2,0,0]=4 9324 B10R0.55 CNC(=O)NCCCC(C)C 512a_200000737386_100102657272 [1,1,0,0,0,0|2,0,0]=4 9325 B10R0.55 CNC(=O)OCCNC(C)C 34a_100138425928_200011997002 [1,1,0,0,0,0|2,0,0]=4 9326 B10R0.55 CNC(=O)OCCOC(C)C 34a_100000212225_200011997002 [1,1,0,0,0,0|2,0,0]=4 9327 B10R0.55 CNC(=O)OCCSC(C)C 62a_100000210206_200011997002 [1,1,0,0,0,0|2,0,0]=4 9328 B10R0.55 CNC(=O)OCCSC(C)C 62a_200011997002_100000210206 [1,1,0,0,0,0|2,0,0]=4 9329 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [1,1,0,0,0,0|2,0,0]=4 9330 B10R0.55 COC(=O)OCSCC(C)C 62a_100000210624_100000139417 [1,1,0,0,0,0|2,0,0]=4 9331 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [1,1,0,0,0,0|2,0,0]=4 9332 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [1,1,0,0,0,0|2,0,0]=4 9333 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [1,1,0,0,0,0|2,0,0]=4 9334 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [1,1,0,0,0,0|1,0,1]=4 9335 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [1,1,0,0,0,0|2,0,0]=4 9336 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [1,1,0,0,0,0|2,0,0]=4 9337 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [1,1,0,0,0,0|2,0,0]=4 9338 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [1,1,0,0,0,0|2,0,0]=4 9339 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [1,1,0,0,0,0|2,0,0]=4 9340 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [1,1,0,0,0,0|2,0,0]=4 9341 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [1,1,0,0,0,0|2,0,0]=4 9342 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [1,1,0,0,0,0|2,0,0]=4 9343 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [1,1,0,0,0,0|2,0,0]=4 9344 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [1,1,0,0,0,0|2,0,0]=4 9345 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 9346 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 9347 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 9348 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 9349 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [1,1,0,0,0,0|2,0,0]=4 9350 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [1,1,0,0,0,0|2,0,0]=4 9351 B10R0.59 CCC(=O)NNCC(O)CC 22a_100015206393_100000210414 [1,1,0,0,0,0|2,0,0]=4 9352 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [1,1,0,0,0,0|2,0,0]=4 9353 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [1,1,0,0,0,0|2,0,0]=4 9354 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [1,1,0,0,0,0|2,0,0]=4 9355 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 9356 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 9357 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 9358 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 9359 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [1,1,0,0,0,0|2,0,0]=4 9360 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [1,1,0,0,0,0|1,0,1]=4 9361 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [1,1,0,0,0,0|2,0,0]=4 9362 B10R0.59 CCN(C)CCOC(=O)NC 269982a_100000225621_200011997002 [1,1,0,0,0,0|2,0,0]=4 9363 B10R0.62 CCCCCNS(=O)(=O)CC 270084a_100000209983_100000211323 [1,1,0,0,0,0|2,0,0]=4 9364 B10R0.62 CCCCCNS(=O)(=O)CC 274078a_100000209983_100000211323 [1,1,0,0,0,0|2,0,0]=4 9365 B10R0.62 CCCCCNS(=O)(=O)CC 40a_100000209983_100000053943 [1,1,0,0,0,0|2,0,0]=4 9366 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210230_100000210326 [1,1,0,0,0,0|1,0,1]=4 9367 B10R0.62 CCCCCOC(C)(C)CC 7a_100000210253_100000210677 [1,1,0,0,0,0|1,0,1]=4 9368 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [1,1,0,0,0,0|1,0,1]=4 9369 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [1,1,0,0,0,0|1,0,1]=4 9370 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [1,1,0,0,0,0|1,0,1]=4 9371 B10R0.75 C=C(C)C(=O)OCCCOC 7a_100000032641_200000210301 [1,1,0,0,0,0|1,0,1]=4 9372 B10R0.75 C=C(C)C(=O)OCCCO[13CH3] 7a_100000032641_200025704644 [1,1,0,0,0,0|1,0,1]=4 9373 B10R0.75 C=C(C)C(=O)OCCNCC 2230a_100015525214_100009816335 [1,1,0,0,0,0|1,0,1]=4 9374 B10R0.75 C=C(C)C(=O)OCCOCC 34a_100121572206_100009816335 [1,1,0,0,0,0|1,0,1]=4 9375 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100000210202_100009816335 [1,1,0,0,0,0|1,0,1]=4 9376 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100009816335_100000210202 [1,1,0,0,0,0|1,0,1]=4 9377 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [1,1,0,0,0,0|2,0,0]=4 9378 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [1,1,0,0,0,0|2,0,0]=4 9379 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [1,1,0,0,0,0|2,0,0]=4 9380 B10R0.75 CC(C)C(=O)NCCCCO 240690a_100000750430_100000210198 [1,1,0,0,0,0|2,0,0]=4 9381 B10R0.75 CC(C)C(=O)NCCCCO 527a_100000750430_100000210198 [1,1,0,0,0,0|2,0,0]=4 9382 B10R0.75 CC(C)C(=O)OCSCCF 62a_100000139345_100011217306 [1,1,0,0,0,0|2,0,0]=4 9383 B10R0.75 CC(C)C(=O)OCSCCF 62a_100011217306_100000139345 [1,1,0,0,0,0|2,0,0]=4 9384 B10R0.75 CC(C)C(=O)OCSCCO 62a_100000139345_100000211926 [1,1,0,0,0,0|2,0,0]=4 9385 B10R0.75 CC(C)C(=O)OCSCCO 62a_100000211926_100000139345 [1,1,0,0,0,0|2,0,0]=4 9386 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [1,1,0,0,0,0|2,0,0]=4 9387 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [1,1,0,0,0,0|2,0,0]=4 9388 B10R0.75 CC(F)C(=O)NCCCCO 240690a_100000750430_100000062450 [1,1,0,0,0,0|2,0,0]=4 9389 B10R0.75 CC(F)C(=O)NCCCCO 527a_100000750430_100000062450 [1,1,0,0,0,0|2,0,0]=4 9390 B10R0.75 CCCCC=CC(=O)C(C)C 1458a_100016266645_100000210206 [1,1,0,0,0,0|1,0,1]=4 9391 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [1,1,0,0,0,0|1,0,0]=3 9392 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [1,1,0,0,0,0|1,0,0]=3 9393 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [1,1,0,0,0,0|1,0,0]=3 9394 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [1,1,0,0,0,0|2,0,0]=4 9395 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [1,1,0,0,0,0|2,0,0]=4 9396 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [1,1,0,0,0,0|2,0,0]=4 9397 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [1,1,0,0,0,0|2,0,0]=4 9398 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [1,1,0,0,0,0|2,0,0]=4 9399 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [1,1,0,0,0,0|1,0,0]=3 9400 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [1,1,0,0,0,0|1,0,0]=3 9401 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [1,1,0,0,0,0|1,0,0]=3 9402 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [1,1,0,0,0,0|1,0,0]=3 9403 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [1,1,0,0,0,0|1,0,0]=3 9404 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [1,1,0,0,0,0|1,0,0]=3 9405 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [1,1,0,0,0,0|1,0,0]=3 9406 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [1,1,0,0,0,0|1,0,0]=3 9407 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [1,1,0,0,0,0|1,0,0]=3 9408 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [1,1,0,0,0,0|1,0,0]=3 9409 B10R0.75 CCCCCNC(=O)C(F)F 11a_100000209983_100000210393 [1,1,0,0,0,0|2,0,0]=4 9410 B10R0.75 CCCCCNC(=O)C(F)F 1626a_100000209983_100000210393 [1,1,0,0,0,0|2,0,0]=4 9411 B10R0.75 CCCCCNC(=O)C(F)F 240690a_100000209983_100000210393 [1,1,0,0,0,0|2,0,0]=4 9412 B10R0.75 CCCCCNC(=O)C(F)F 527a_100000209983_100000210393 [1,1,0,0,0,0|2,0,0]=4 9413 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [1,1,0,0,0,0|2,0,0]=4 9414 B10R0.75 CCCCCNC(=O)N(C)C 2708a_100000209983_100102631434 [1,1,0,0,0,0|2,0,0]=4 9415 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [1,1,0,0,0,0|1,0,0]=3 9416 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [1,1,0,0,0,0|1,0,0]=3 9417 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [1,1,0,0,0,0|1,0,0]=3 9418 B10R0.75 CCCCCOC(C)C(C)C 7a_100000748068_100000210326 [1,1,0,0,0,0|1,0,1]=4 9419 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [1,1,0,0,0,0|2,0,0]=4 9420 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [1,1,0,0,0,0|2,0,0]=4 9421 B10R0.75 CCCCNNC(=O)C(C)C 22a_100025702795_100000210198 [1,1,0,0,0,0|2,0,0]=4 9422 B10R0.75 CCCCNNC(=O)C(C)F 22a_100025702795_100000062450 [1,1,0,0,0,0|2,0,0]=4 9423 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [1,1,0,0,0,0|2,0,0]=4 9424 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [1,1,0,0,0,0|2,0,0]=4 9425 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [1,1,0,0,0,0|2,0,0]=4 9426 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [1,1,0,0,0,0|2,0,0]=4 9427 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [1,1,0,0,0,0|2,0,0]=4 9428 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [1,1,0,0,0,0|2,0,0]=4 9429 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [1,1,0,0,0,0|2,0,0]=4 9430 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [1,1,0,0,0,0|2,0,0]=4 9431 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [1,1,0,0,0,0|2,0,0]=4 9432 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [1,1,0,0,0,0|2,0,0]=4 9433 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [1,1,0,0,0,0|2,0,0]=4 9434 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [1,1,0,0,0,0|2,0,0]=4 9435 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [1,1,0,0,0,0|2,0,0]=4 9436 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [1,1,0,0,0,0|2,0,0]=4 9437 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [1,1,0,0,0,0|2,0,0]=4 9438 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [1,1,0,0,0,0|2,0,0]=4 9439 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000139345_100000210303 [1,1,0,0,0,0|1,0,0]=3 9440 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000210303_100000139345 [1,1,0,0,0,0|1,0,0]=3 9441 B10R0.75 CCNCCNC(=O)C(C)C 2230a_100000752568_100000210202 [1,1,0,0,0,0|2,0,0]=4 9442 B10R0.75 CCNCCNC(=O)C(C)C 34a_100000752568_100000210202 [1,1,0,0,0,0|2,0,0]=4 9443 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [1,1,0,0,0,0|2,0,0]=4 9444 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [1,1,0,0,0,0|2,0,0]=4 9445 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [1,1,0,0,0,0|2,0,0]=4 9446 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [1,1,0,0,0,0|2,0,0]=4 9447 B10R0.75 CCOCCNC(=O)C(C)C 11a_100011200944_100000210198 [1,1,0,0,0,0|2,0,0]=4 9448 B10R0.75 CCOCCNC(=O)C(C)C 1626a_102516460346_100000210198 [1,1,0,0,0,0|2,0,0]=4 9449 B10R0.75 CCOCCNC(=O)C(C)C 240690a_100011200944_100000210198 [1,1,0,0,0,0|2,0,0]=4 9450 B10R0.75 CCOCCNC(=O)C(C)C 527a_100011200944_100000210198 [1,1,0,0,0,0|2,0,0]=4 9451 B10R0.75 CCOCCNC(=O)C(C)F 11a_100011200944_100000062450 [1,1,0,0,0,0|2,0,0]=4 9452 B10R0.75 CCOCCNC(=O)C(C)F 1626a_102516460346_100000062450 [1,1,0,0,0,0|2,0,0]=4 9453 B10R0.75 CCOCCNC(=O)C(C)F 240690a_100011200944_100000062450 [1,1,0,0,0,0|2,0,0]=4 9454 B10R0.75 CCOCCNC(=O)C(C)F 527a_100011200944_100000062450 [1,1,0,0,0,0|2,0,0]=4 9455 B10R0.75 CCOCCNC(=O)[C@@H](C)O 240690a_100011200944_100000717761 [1,1,0,0,0,0|2,0,0]=4 9456 B10R0.75 CCOCCNC(=O)[C@H](C)O 1626a_102516460346_217856618621 [1,1,0,0,0,0|2,0,0]=4 9457 B10R0.75 CCOCCNC(=O)[C@H](C)O 240690a_100011200944_217856618621 [1,1,0,0,0,0|2,0,0]=4 9458 B10R0.75 CCSCCNC(=O)C(C)C 11a_100000106463_100000210198 [1,1,0,0,0,0|2,0,0]=4 9459 B10R0.75 CCSCCNC(=O)C(C)C 1626a_100000106463_100000210198 [1,1,0,0,0,0|2,0,0]=4 9460 B10R0.75 CCSCCNC(=O)C(C)C 240690a_100000106463_100000210198 [1,1,0,0,0,0|2,0,0]=4 9461 B10R0.75 CCSCCNC(=O)C(C)C 527a_100000106463_100000210198 [1,1,0,0,0,0|2,0,0]=4 9462 B10R0.75 CCSCCNC(=O)C(C)F 11a_100000106463_100000062450 [1,1,0,0,0,0|2,0,0]=4 9463 B10R0.75 CCSCCNC(=O)C(C)F 1626a_100000106463_100000062450 [1,1,0,0,0,0|2,0,0]=4 9464 B10R0.75 CCSCCNC(=O)C(C)F 240690a_100000106463_100000062450 [1,1,0,0,0,0|2,0,0]=4 9465 B10R0.75 CCSCCNC(=O)C(C)F 527a_100000106463_100000062450 [1,1,0,0,0,0|2,0,0]=4 9466 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [1,1,0,0,0,0|2,0,0]=4 9467 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [1,1,0,0,0,0|2,0,0]=4 9468 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [1,1,0,0,0,0|2,0,0]=4 9469 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [1,1,0,0,0,0|2,0,0]=4 9470 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [1,1,0,0,0,0|2,0,0]=4 9471 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [1,1,0,0,0,0|2,0,0]=4 9472 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [1,1,0,0,0,0|2,0,0]=4 9473 B10R0.75 COCCCNC(=O)C(C)C 1626a_100150723488_100000210198 [1,1,0,0,0,0|2,0,0]=4 9474 B10R0.75 COCCCNC(=O)C(C)C 240690a_100150723488_100000210198 [1,1,0,0,0,0|2,0,0]=4 9475 B10R0.75 COCCCNC(=O)C(C)C 527a_100150723488_100000210198 [1,1,0,0,0,0|2,0,0]=4 9476 B10R0.75 COCCCNC(=O)C(C)F 1626a_100150723488_100000062450 [1,1,0,0,0,0|2,0,0]=4 9477 B10R0.75 COCCCNC(=O)C(C)F 240690a_100150723488_100000062450 [1,1,0,0,0,0|2,0,0]=4 9478 B10R0.75 COCCCNC(=O)C(C)F 527a_100150723488_100000062450 [1,1,0,0,0,0|2,0,0]=4 9479 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [1,1,0,0,0,0|2,0,0]=4 9480 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [1,1,0,0,0,0|2,0,0]=4 9481 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [1,1,0,0,0,0|2,0,0]=4 9482 B10R0.75 COCSCOC(=O)C(C)C 62a_100000139345_100000766300 [1,1,0,0,0,0|2,0,0]=4 9483 B10R0.75 COCSCOC(=O)C(C)C 62a_100000766300_100000139345 [1,1,0,0,0,0|2,0,0]=4 9484 B10R0.75 CSCCCNC(=O)C(C)C 11a_100000749238_100000210198 [1,1,0,0,0,0|2,0,0]=4 9485 B10R0.75 CSCCCNC(=O)C(C)C 1626a_100000749238_100000210198 [1,1,0,0,0,0|2,0,0]=4 9486 B10R0.75 CSCCCNC(=O)C(C)C 240690a_100000749238_100000210198 [1,1,0,0,0,0|2,0,0]=4 9487 B10R0.75 CSCCCNC(=O)C(C)C 527a_100000749238_100000210198 [1,1,0,0,0,0|2,0,0]=4 9488 B10R0.75 CSCCCNC(=O)C(C)F 11a_100000749238_100000062450 [1,1,0,0,0,0|2,0,0]=4 9489 B10R0.75 CSCCCNC(=O)C(C)F 1626a_100000749238_100000062450 [1,1,0,0,0,0|2,0,0]=4 9490 B10R0.75 CSCCCNC(=O)C(C)F 240690a_100000749238_100000062450 [1,1,0,0,0,0|2,0,0]=4 9491 B10R0.75 CSCCCNC(=O)C(C)F 527a_100000749238_100000062450 [1,1,0,0,0,0|2,0,0]=4 9492 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [1,1,0,0,0,0|2,0,0]=4 9493 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [1,1,0,0,0,0|2,0,0]=4 9494 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [1,1,0,0,0,0|2,0,0]=4 9495 B10R0.75 CSCSCOC(=O)C(C)C 62a_100000139345_100011218213 [1,1,0,0,0,0|2,0,0]=4 9496 B10R0.75 CSCSCOC(=O)C(C)C 62a_100011218213_100000139345 [1,1,0,0,0,0|2,0,0]=4 9497 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [1,1,0,0,0,0|2,0,0]=4 9498 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [1,1,0,0,0,0|2,0,0]=4 9499 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [1,1,0,0,0,0|2,0,0]=4 9500 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [1,1,0,0,0,0|2,0,0]=4 9501 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [1,1,0,0,0,0|2,0,0]=4 9502 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [1,1,0,0,0,0|2,0,0]=4 9503 B12R0.2 CCCCC(C)NC(=O)CC(C)C 11a_100000126638_100000210554 [0,2,0,0,0,0|1,0,0]=3 9504 B12R0.2 CCCCC(C)NC(=O)CC(C)C 1626a_100000126638_100000210554 [0,2,0,0,0,0|1,0,0]=3 9505 B12R0.2 CCCCC(C)NC(=O)CC(C)C 240690a_100000126638_100000210554 [0,2,0,0,0,0|1,0,0]=3 9506 B12R0.2 CCCCC(C)NC(=O)CC(C)C 527a_100000126638_100000210554 [0,2,0,0,0,0|1,0,0]=3 9507 B12R0.2 CCCCC(C)NC(=O)CN(C)C 11a_100000126638_100000750896 [0,2,0,0,0,0|2,0,0]=4 9508 B12R0.2 CCCCC(C)NC(=O)CN(C)C 240690a_100000126638_100000750896 [0,2,0,0,0,0|2,0,0]=4 9509 B12R0.2 CCCCC(C)NC(=O)CN(C)C 527a_100000126638_100000750896 [0,2,0,0,0,0|2,0,0]=4 9510 B12R0.2 CCCCC(C)NC(=O)C[C@@H](C)O 240690a_100000126638_100011933948 [0,2,0,0,0,0|1,0,0]=3 9511 B12R0.2 CCCCC(C)NC(=O)C[S+](C)C 11a_100000126638_200159257847 [0,2,0,0,0,0|2,0,0]=4 9512 B12R0.2 CCCCC(C)NC(=O)C[S+](C)C 1626a_100000126638_200159257847 [0,2,0,0,0,0|2,0,0]=4 9513 B12R0.2 CCCCC(C)NC(=O)C[S+](C)C 240690a_100000126638_200159257847 [0,2,0,0,0,0|2,0,0]=4 9514 B12R0.2 CCCCC(C)NC(=O)C[S+](C)C 527a_100000126638_200159257847 [0,2,0,0,0,0|2,0,0]=4 9515 B12R0.2 CCCCC(C)NC(=O)NC(C)C 2708a_100000126638_100138425928 [0,2,0,0,0,0|2,0,0]=4 9516 B12R0.2 CCCCC(C)NC(=O)NC(C)C 2708a_100138425928_100000126638 [0,2,0,0,0,0|2,0,0]=4 9517 B12R0.2 CCCCC(C)NC(=O)NC(C)C 273464a_100138425928_100000126638 [0,2,0,0,0,0|2,0,0]=4 9518 B12R0.2 CCCCC(C)NC(=O)NC(C)C 512a_100000126638_100138425928 [0,2,0,0,0,0|2,0,0]=4 9519 B12R0.2 CCCCC(C)NC(=O)NC(C)C 512a_100138425928_100000126638 [0,2,0,0,0,0|2,0,0]=4 9520 B12R0.2 CCCCC(C)OC(C)CC(C)C 34a_100000211805_200011215066 [0,2,0,0,0,0|1,0,1]=4 9521 B12R0.2 CCCCC(C)OC(C)CC(C)C 34a_100000687866_100000731052 [0,2,0,0,0,0|1,0,1]=4 9522 B12R0.2 CCCCC(C)OC(C)CC(C)C 7a_100000211805_200011215066 [0,2,0,0,0,0|1,0,1]=4 9523 B12R0.2 CCCCC(C)OC(C)CC(C)C 7a_100000687866_100000731052 [0,2,0,0,0,0|1,0,1]=4 9524 B12R0.2 CCCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210303 [0,2,0,0,0,0|2,0,0]=4 9525 B12R0.2 CCCSC(C)OC(=O)OC(C)C 62a_100000210303_100000067433 [0,2,0,0,0,0|2,0,0]=4 9526 B12R0.4 C#CCCCCCC(=O)CC(C)C 1458a_100000210554_100012094781 [0,2,0,0,0,0|1,0,1]=4 9527 B12R0.4 C#CCCCCCC(=O)CC(C)C 1458a_100000694772_100000210624 [0,2,0,0,0,0|1,0,1]=4 9528 B12R0.4 C#CCCCCCC(=O)CC(C)O 1458a_100000694772_100011218427 [0,2,0,0,0,0|1,0,1]=4 9529 B12R0.4 C#CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012094781 [0,2,0,0,0,0|1,0,1]=4 9530 B12R0.4 C#CCCCCNC(=O)CC(C)C 11a_100000706060_100000210554 [0,2,0,0,0,0|1,0,1]=4 9531 B12R0.4 C#CCCCCNC(=O)CC(C)C 1626a_100000706060_100000210554 [0,2,0,0,0,0|1,0,1]=4 9532 B12R0.4 C#CCCCCNC(=O)CC(C)C 240690a_100000706060_100000210554 [0,2,0,0,0,0|1,0,1]=4 9533 B12R0.4 C#CCCCCNC(=O)CC(C)C 527a_100000706060_100000210554 [0,2,0,0,0,0|1,0,1]=4 9534 B12R0.4 C#CCCCCNC(=O)C[C@@H](C)O 240690a_100000706060_100011933948 [0,2,0,0,0,0|1,0,1]=4 9535 B12R0.4 C=C(C)CC(=O)C#CCCCCC 1458a_100011215388_100000748629 [0,2,0,0,0,0|1,0,1]=4 9536 B12R0.4 C=C(C)CC(=O)C=CCCCCC 1458a_100016263427_100000748629 [0,2,0,0,0,0|1,0,1]=4 9537 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,2,0,0,0,0|1,0,1]=4 9538 B12R0.4 C=C(C)CC(=O)CCCCCCO 1458a_100011996774_100000748629 [0,2,0,0,0,0|1,0,1]=4 9539 B12R0.4 C=C(C)CC(=O)CCCCCOC 1458a_100011935119_100000748629 [0,2,0,0,0,0|1,0,1]=4 9540 B12R0.4 C=CCCCCCC(=O)CC(C)C 1458a_100000210554_100000700193 [0,2,0,0,0,0|1,0,1]=4 9541 B12R0.4 C=CCCCCCC(=O)CC(C)C 1458a_100011934241_100000210624 [0,2,0,0,0,0|1,0,1]=4 9542 B12R0.4 C=CCCCCCC(=O)CC(C)O 1458a_100011934241_100011218427 [0,2,0,0,0,0|1,0,1]=4 9543 B12R0.4 C=CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000700193 [0,2,0,0,0,0|1,0,1]=4 9544 B12R0.4 C=CCCCCNC(=O)CC(C)C 11a_100000703577_100000210554 [0,2,0,0,0,0|1,0,1]=4 9545 B12R0.4 C=CCCCCNC(=O)CC(C)C 1626a_100000703577_100000210554 [0,2,0,0,0,0|1,0,1]=4 9546 B12R0.4 C=CCCCCNC(=O)CC(C)C 240690a_100000703577_100000210554 [0,2,0,0,0,0|1,0,1]=4 9547 B12R0.4 C=CCCCCNC(=O)CC(C)C 527a_100000703577_100000210554 [0,2,0,0,0,0|1,0,1]=4 9548 B12R0.4 C=CCCCCNC(=O)C[C@@H](C)O 240690a_100000703577_100011933948 [0,2,0,0,0,0|1,0,1]=4 9549 B12R0.4 CC(=O)CC(=O)OCCNCCF 34a_100000724931_100000102702 [0,2,0,0,0,0|1,0,1]=4 9550 B12R0.4 CC(=O)CC(=O)OCCNCCO 34a_100016990907_100000102702 [0,2,0,0,0,0|1,0,1]=4 9551 B12R0.4 CC(=O)CC(=O)OCCOCCBr 34a_100000211926_100000102702 [0,2,0,0,0,0|1,0,1]=4 9552 B12R0.4 CC(=O)CC(=O)OCCOCCN 34a_100000210304_100000102702 [0,2,0,0,0,0|1,0,1]=4 9553 B12R0.4 CC(=O)CC(=O)OCCSCCF 62a_100000102702_100011217306 [0,2,0,0,0,0|1,0,1]=4 9554 B12R0.4 CC(=O)CC(=O)OCCSCCF 62a_100011217306_100000102702 [0,2,0,0,0,0|1,0,1]=4 9555 B12R0.4 CC(=O)CC(=O)OCCSCCO 62a_100000102702_100000211926 [0,2,0,0,0,0|1,0,1]=4 9556 B12R0.4 CC(=O)CC(=O)OCCSCCO 62a_100000211926_100000102702 [0,2,0,0,0,0|1,0,1]=4 9557 B12R0.4 CC(C)CC(=O)CCCCCC#N 1458a_100000210554_100009813376 [0,2,0,0,0,0|1,0,1]=4 9558 B12R0.4 CC(C)CC(=O)CCCCCCF 1458a_100000210554_100015922095 [0,2,0,0,0,0|1,0,0]=3 9559 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100000210554_100000766143 [0,2,0,0,0,0|1,0,0]=3 9560 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100011996774_100000210624 [0,2,0,0,0,0|1,0,0]=3 9561 B12R0.4 CC(C)CC(=O)NCCCCC#N 11a_100000751965_100000210554 [0,2,0,0,0,0|1,0,1]=4 9562 B12R0.4 CC(C)CC(=O)NCCCCC#N 1626a_100000751965_100000210554 [0,2,0,0,0,0|1,0,1]=4 9563 B12R0.4 CC(C)CC(=O)NCCCCC#N 240690a_100000751965_100000210554 [0,2,0,0,0,0|1,0,1]=4 9564 B12R0.4 CC(C)CC(=O)NCCCCC#N 527a_100000751965_100000210554 [0,2,0,0,0,0|1,0,1]=4 9565 B12R0.4 CC(C)CC(=O)NCCCCCO 240690a_100000762737_100000210554 [0,2,0,0,0,0|1,0,0]=3 9566 B12R0.4 CC(C)CC(=O)NCCOCCO 240690a_100000211614_100000210554 [0,2,0,0,0,0|2,0,0]=4 9567 B12R0.4 CC(C)CC(=O)NCCSCCO 240690a_100011219999_100000210554 [0,2,0,0,0,0|2,0,0]=4 9568 B12R0.4 CC(C)CC(=O)NCCSCCO 527a_100011219999_100000210554 [0,2,0,0,0,0|2,0,0]=4 9569 B12R0.4 CC(C)CC(C)OCCCCCBr 34a_100000746331_100000731052 [0,2,0,0,0,0|1,0,1]=4 9570 B12R0.4 CC(C)CC(C)OCCCCCBr 7a_100000746331_100000731052 [0,2,0,0,0,0|1,0,1]=4 9571 B12R0.4 CC(C)CC(C)OCCCCCCl 34a_100000746330_100000731052 [0,2,0,0,0,0|1,0,1]=4 9572 B12R0.4 CC(C)CC(C)OCCCCCCl 7a_100000746330_100000731052 [0,2,0,0,0,0|1,0,1]=4 9573 B12R0.4 CC(C)CC(C)OCCCCCF 34a_100000211805_100000729378 [0,2,0,0,0,0|1,0,1]=4 9574 B12R0.4 CC(C)CC(C)OCCCCCF 7a_100000211805_100000729378 [0,2,0,0,0,0|1,0,1]=4 9575 B12R0.4 CC(C)CC(C)OCCCCCI 34a_200012148887_100000731052 [0,2,0,0,0,0|1,0,1]=4 9576 B12R0.4 CC(C)CC(C)OCCCCCI 7a_200012148887_100000731052 [0,2,0,0,0,0|1,0,1]=4 9577 B12R0.4 CC(C)CC(C)OCCCCCN 34a_100000762737_100000731052 [0,2,0,0,0,0|1,0,1]=4 9578 B12R0.4 CC(C)CC(C)OCCCCCO 34a_100000211805_100000746330 [0,2,0,0,0,0|1,0,1]=4 9579 B12R0.4 CC(C)CC(C)OCCCCCO 7a_100000211805_100000746330 [0,2,0,0,0,0|1,0,1]=4 9580 B12R0.4 CC(C)NC(=O)CCCCCCO 240690a_100138425928_100011996774 [0,2,0,0,0,0|2,0,0]=4 9581 B12R0.4 CC(C)NC(=O)COCCCCBr 34a_100011216708_100000183996 [0,2,0,0,0,0|2,0,0]=4 9582 B12R0.4 CC(C)NC(=O)COCCCCCl 34a_100000210776_100000183996 [0,2,0,0,0,0|2,0,0]=4 9583 B12R0.4 CC(C)NC(=O)COCCCCCl 7a_100000210776_100000183996 [0,2,0,0,0,0|2,0,0]=4 9584 B12R0.4 CC(C)NC(=O)COCCCCF 34a_100011995726_100000183996 [0,2,0,0,0,0|2,0,0]=4 9585 B12R0.4 CC(C)NC(=O)COCCCCF 7a_100011995726_100000183996 [0,2,0,0,0,0|2,0,0]=4 9586 B12R0.4 CC(C)NC(=O)COCCCCI 34a_200012148704_100000183996 [0,2,0,0,0,0|2,0,0]=4 9587 B12R0.4 CC(C)NC(=O)COCCCCN 34a_100000750430_100000183996 [0,2,0,0,0,0|2,0,0]=4 9588 B12R0.4 CC(C)NC(=O)NCCCCCO 2708a_100138425928_100000762737 [0,2,0,0,0,0|2,0,0]=4 9589 B12R0.4 CC(C)NC(=O)NCCCCCO 273464a_100138425928_100000762737 [0,2,0,0,0,0|2,0,0]=4 9590 B12R0.4 CC(C)NC(=O)NCCCCCO 512a_100000762737_100138425928 [0,2,0,0,0,0|2,0,0]=4 9591 B12R0.4 CC(C)NC(=O)NCCCCCO 512a_100138425928_100000762737 [0,2,0,0,0,0|2,0,0]=4 9592 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200010986244_200025704644 [0,2,0,0,0,0|2,0,0]=4 9593 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200025704644_200010986244 [0,2,0,0,0,0|2,0,0]=4 9594 B12R0.4 CC(C)OC(=O)COCCCCBr 34a_100011216708_100011215430 [0,2,0,0,0,0|2,0,0]=4 9595 B12R0.4 CC(C)OC(=O)COCCCCCl 34a_100000210776_100011215430 [0,2,0,0,0,0|2,0,0]=4 9596 B12R0.4 CC(C)OC(=O)COCCCCCl 7a_100000210776_100011215430 [0,2,0,0,0,0|2,0,0]=4 9597 B12R0.4 CC(C)OC(=O)COCCCCF 34a_100011995726_100011215430 [0,2,0,0,0,0|2,0,0]=4 9598 B12R0.4 CC(C)OC(=O)COCCCCF 7a_100011995726_100011215430 [0,2,0,0,0,0|2,0,0]=4 9599 B12R0.4 CC(C)OC(=O)COCCCCI 34a_200012148704_100011215430 [0,2,0,0,0,0|2,0,0]=4 9600 B12R0.4 CC(C)OC(=O)COCCCCN 34a_100000750430_100011215430 [0,2,0,0,0,0|2,0,0]=4 9601 B12R0.4 CC(C)OC(=O)OCSCCCF 62a_100000003507_100011934791 [0,2,0,0,0,0|2,0,0]=4 9602 B12R0.4 CC(C)OC(=O)OCSCCCF 62a_100011934791_100000003507 [0,2,0,0,0,0|2,0,0]=4 9603 B12R0.4 CC(C)OC(=O)OCSCCCO 62a_100000003507_100011215043 [0,2,0,0,0,0|2,0,0]=4 9604 B12R0.4 CC(C)OC(=O)OCSCCCO 62a_100011215043_100000003507 [0,2,0,0,0,0|2,0,0]=4 9605 B12R0.4 CC(O)CC(=O)CCCCCCO 1458a_100011996774_100011218427 [0,2,0,0,0,0|1,0,0]=3 9606 B12R0.4 CCCC/C=C/CC(=O)CC(C)C 1458a_200016282684_100000210624 [0,2,0,0,0,0|1,0,1]=4 9607 B12R0.4 CCCC/C=C/CC(=O)CC(C)O 1458a_200016282684_100011218427 [0,2,0,0,0,0|1,0,1]=4 9608 B12R0.4 CCCCC=NNC(=O)CC(C)C 4a_100000189787_100000210104 [0,2,0,0,0,0|1,0,1]=4 9609 B12R0.4 CCCCCC#CC(=O)CC(C)C 1458a_100011215388_100000210624 [0,2,0,0,0,0|1,0,0]=3 9610 B12R0.4 CCCCCC#CC(=O)CC(C)O 1458a_100011215388_100011218427 [0,2,0,0,0,0|1,0,0]=3 9611 B12R0.4 CCCCCC#CC(=O)CC(F)F 1458a_100011215388_100011934356 [0,2,0,0,0,0|2,0,0]=4 9612 B12R0.4 CCCCCC#CC(=O)NC(C)C 240690a_100138425928_100011215388 [0,2,0,0,0,0|2,0,0]=4 9613 B12R0.4 CCCCCC=CC(=O)CC(C)C 1458a_100016263427_100000210624 [0,2,0,0,0,0|1,0,0]=3 9614 B12R0.4 CCCCCC=CC(=O)CC(C)O 1458a_100016263427_100011218427 [0,2,0,0,0,0|1,0,0]=3 9615 B12R0.4 CCCCCC=CC(=O)CC(F)F 1458a_100016263427_100011934356 [0,2,0,0,0,0|2,0,0]=4 9616 B12R0.4 CCCCCC=CC(=O)NC(C)C 11a_100138425928_100016263427 [0,2,0,0,0,0|2,0,0]=4 9617 B12R0.4 CCCCCC=CC(=O)NC(C)C 1626a_100138425928_100016263427 [0,2,0,0,0,0|2,0,0]=4 9618 B12R0.4 CCCCCC=CC(=O)NC(C)C 240690a_100138425928_100016263427 [0,2,0,0,0,0|2,0,0]=4 9619 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,2,0,0,0,0|1,0,0]=3 9620 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,2,0,0,0,0|1,0,0]=3 9621 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,2,0,0,0,0|1,0,0]=3 9622 B12R0.4 CCCCCCCC(=O)CC(F)F 1458a_100000211969_100011934356 [0,2,0,0,0,0|2,0,0]=4 9623 B12R0.4 CCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210614 [0,2,0,0,0,0|2,0,0]=4 9624 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,2,0,0,0,0|1,0,0]=3 9625 B12R0.4 CCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210614 [0,2,0,0,0,0|2,0,0]=4 9626 B12R0.4 CCCCCCCC(=O)NC(C)C 11a_100138425928_100000211969 [0,2,0,0,0,0|2,0,0]=4 9627 B12R0.4 CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211969 [0,2,0,0,0,0|2,0,0]=4 9628 B12R0.4 CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211969 [0,2,0,0,0,0|2,0,0]=4 9629 B12R0.4 CCCCCCCC(=O)NC(C)C 527a_100138425928_100000211969 [0,2,0,0,0,0|2,0,0]=4 9630 B12R0.4 CCCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230325 [0,2,0,0,0,0|1,0,1]=4 9631 B12R0.4 CCCCCCNC(=O)CC(C)C 11a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 9632 B12R0.4 CCCCCCNC(=O)CC(C)C 1626a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 9633 B12R0.4 CCCCCCNC(=O)CC(C)C 240690a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 9634 B12R0.4 CCCCCCNC(=O)CC(C)C 527a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 9635 B12R0.4 CCCCCCNC(=O)CN(C)C 11a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 9636 B12R0.4 CCCCCCNC(=O)CN(C)C 2230a_100102631434_100000230325 [0,2,0,0,0,0|2,0,0]=4 9637 B12R0.4 CCCCCCNC(=O)CN(C)C 240690a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 9638 B12R0.4 CCCCCCNC(=O)CN(C)C 269982a_100102631434_100000230325 [0,2,0,0,0,0|2,0,0]=4 9639 B12R0.4 CCCCCCNC(=O)CN(C)C 527a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 9640 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O 240690a_100000210581_100011933948 [0,2,0,0,0,0|1,0,0]=3 9641 B12R0.4 CCCCCCNC(=O)C[S+](C)C 11a_100000210581_200159257847 [0,2,0,0,0,0|2,0,0]=4 9642 B12R0.4 CCCCCCNC(=O)C[S+](C)C 1626a_100000210581_200159257847 [0,2,0,0,0,0|2,0,0]=4 9643 B12R0.4 CCCCCCNC(=O)C[S+](C)C 240690a_100000210581_200159257847 [0,2,0,0,0,0|2,0,0]=4 9644 B12R0.4 CCCCCCNC(=O)C[S+](C)C 527a_100000210581_200159257847 [0,2,0,0,0,0|2,0,0]=4 9645 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100000210581_100138425928 [0,2,0,0,0,0|2,0,0]=4 9646 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100138425928_100000210581 [0,2,0,0,0,0|2,0,0]=4 9647 B12R0.4 CCCCCCNC(=O)NC(C)C 273464a_100138425928_100000210581 [0,2,0,0,0,0|2,0,0]=4 9648 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100000210581_100138425928 [0,2,0,0,0,0|2,0,0]=4 9649 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100138425928_100000210581 [0,2,0,0,0,0|2,0,0]=4 9650 B12R0.4 CCCCCCOC(C)CC(C)C 34a_100000210259_100000731052 [0,2,0,0,0,0|1,0,1]=4 9651 B12R0.4 CCCCCCOC(C)CC(C)C 34a_100000211805_100000210314 [0,2,0,0,0,0|1,0,1]=4 9652 B12R0.4 CCCCCCOC(C)CC(C)C 7a_100000210259_100000731052 [0,2,0,0,0,0|1,0,1]=4 9653 B12R0.4 CCCCCCOC(C)CC(C)C 7a_100000211805_100000210314 [0,2,0,0,0,0|1,0,1]=4 9654 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210326 [0,2,0,0,0,0|2,0,0]=4 9655 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000209983_100000183996 [0,2,0,0,0,0|2,0,0]=4 9656 B12R0.4 CCCCCNCC(=O)OC(C)C 2230a_100000209983_100011215430 [0,2,0,0,0,0|2,0,0]=4 9657 B12R0.4 CCCCCNNC(=O)CC(C)C 22a_100000694160_100000210554 [0,2,0,0,0,0|1,0,0]=3 9658 B12R0.4 CCCCCNNC(=O)CN(C)C 22a_100000694160_100000750896 [0,2,0,0,0,0|2,0,0]=4 9659 B12R0.4 CCCCCNNC(=O)C[C@@H](C)O 22a_100000694160_100011933948 [0,2,0,0,0,0|1,0,0]=3 9660 B12R0.4 CCCCCNNC(=O)C[S+](C)C 22a_100000694160_200159257847 [0,2,0,0,0,0|2,0,0]=4 9661 B12R0.4 CCCCCNNC(=O)NC(C)C 273464a_100138425928_100000694160 [0,2,0,0,0,0|2,0,0]=4 9662 B12R0.4 CCCCCNNC(=O)NC(C)C 512a_100000694160_100138425928 [0,2,0,0,0,0|2,0,0]=4 9663 B12R0.4 CCCCCNNC(=O)NC(C)C 512a_100138425928_100000694160 [0,2,0,0,0,0|2,0,0]=4 9664 B12R0.4 CCCCCOCC(=O)NC(=O)C 7a_100000210253_100000183797 [0,2,0,0,0,0|1,0,1]=4 9665 B12R0.4 CCCCCOCC(=O)NC(C)C 34a_100000210253_100000183996 [0,2,0,0,0,0|1,0,0]=3 9666 B12R0.4 CCCCCOCC(=O)NC(C)C 7a_100000210253_100000183996 [0,2,0,0,0,0|1,0,0]=3 9667 B12R0.4 CCCCCOCC(=O)OC(C)C 34a_100000210253_100011215430 [0,2,0,0,0,0|1,0,0]=3 9668 B12R0.4 CCCCCOCC(=O)OC(C)C 7a_100000210253_100011215430 [0,2,0,0,0,0|1,0,0]=3 9669 B12R0.4 CCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000718602 [0,2,0,0,0,0|1,0,1]=4 9670 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000183996_100000210326 [0,2,0,0,0,0|1,1,0]=4 9671 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000210326_100000183996 [0,2,0,0,0,0|1,1,0]=4 9672 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100000210326_100011215430 [0,2,0,0,0,0|1,1,0]=4 9673 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100011215430_100000210326 [0,2,0,0,0,0|1,1,0]=4 9674 B12R0.4 CCCCNCCC(=O)NC(C)C 2230a_100000102301_100000737564 [0,2,0,0,0,0|2,0,0]=4 9675 B12R0.4 CCCCNCCC(=O)NC(C)C 7a_106832991798_100000737564 [0,2,0,0,0,0|2,0,0]=4 9676 B12R0.4 CCCCNCCC(=O)OC(C)C 2230a_100000102301_100000760027 [0,2,0,0,0,0|2,0,0]=4 9677 B12R0.4 CCCCNCCC(=O)OC(C)C 7a_106832991798_100000760027 [0,2,0,0,0,0|2,0,0]=4 9678 B12R0.4 CCCCOCCC(=O)CC(C)C 1458a_100000210554_100000743108 [0,2,0,0,0,0|1,0,0]=3 9679 B12R0.4 CCCCOCCC(=O)CN(C)C 1458a_100000750896_100000743108 [0,2,0,0,0,0|2,0,0]=4 9680 B12R0.4 CCCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000743108 [0,2,0,0,0,0|1,0,0]=3 9681 B12R0.4 CCCCOCCC(=O)C[S+](C)C 1458a_200159257847_100000743108 [0,2,0,0,0,0|2,0,0]=4 9682 B12R0.4 CCCCOCCC(=O)NC(C)C 7a_100000210227_100000737564 [0,2,0,0,0,0|2,0,0]=4 9683 B12R0.4 CCCCOCCC(=O)OC(C)C 7a_100000210227_100000760027 [0,2,0,0,0,0|2,0,0]=4 9684 B12R0.4 CCCCOCOC(C)CC(C)C 34a_100000211805_100011995733 [0,2,0,0,0,0|1,0,1]=4 9685 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000210211_100000737564 [0,2,0,0,0,0|2,0,0]=4 9686 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000737564_100000210210 [0,2,0,0,0,0|2,0,0]=4 9687 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000210211_100000760027 [0,2,0,0,0,0|2,0,0]=4 9688 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000760027_100000210210 [0,2,0,0,0,0|2,0,0]=4 9689 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000003507_100000210210 [0,2,0,0,0,0|1,0,0]=3 9690 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000210211_100000003507 [0,2,0,0,0,0|1,0,0]=3 9691 B12R0.4 CCCOCCNC(=O)CC(C)C 1626a_100161115042_100000210554 [0,2,0,0,0,0|1,0,0]=3 9692 B12R0.4 CCCOCCNC(=O)CC(C)C 240690a_100161115042_100000210554 [0,2,0,0,0,0|1,0,0]=3 9693 B12R0.4 CCCOCCNC(=O)CC(C)C 527a_100161115042_100000210554 [0,2,0,0,0,0|1,0,0]=3 9694 B12R0.4 CCCOCCNC(=O)CN(C)C 240690a_100161115042_100000750896 [0,2,0,0,0,0|2,0,0]=4 9695 B12R0.4 CCCOCCNC(=O)CN(C)C 527a_100161115042_100000750896 [0,2,0,0,0,0|2,0,0]=4 9696 B12R0.4 CCCOCCNC(=O)C[C@@H](C)O 240690a_100161115042_100011933948 [0,2,0,0,0,0|1,0,0]=3 9697 B12R0.4 CCCOCCNC(=O)C[S+](C)C 1626a_100161115042_200159257847 [0,2,0,0,0,0|2,0,0]=4 9698 B12R0.4 CCCOCCNC(=O)C[S+](C)C 240690a_100161115042_200159257847 [0,2,0,0,0,0|2,0,0]=4 9699 B12R0.4 CCCOCCNC(=O)C[S+](C)C 527a_100161115042_200159257847 [0,2,0,0,0,0|2,0,0]=4 9700 B12R0.4 CCCOCCNC(=O)NC(C)C 2708a_100138425928_100161115042 [0,2,0,0,0,0|2,0,0]=4 9701 B12R0.4 CCCOCCNC(=O)NC(C)C 2708a_100161115042_100138425928 [0,2,0,0,0,0|2,0,0]=4 9702 B12R0.4 CCCOCCNC(=O)NC(C)C 273464a_100138425928_100161115042 [0,2,0,0,0,0|2,0,0]=4 9703 B12R0.4 CCCOCCNC(=O)NC(C)C 512a_100138425928_100161115042 [0,2,0,0,0,0|2,0,0]=4 9704 B12R0.4 CCCOCCNC(=O)NC(C)C 512a_100161115042_100138425928 [0,2,0,0,0,0|2,0,0]=4 9705 B12R0.4 CCCOCCOC(=O)CC(=O)C 34a_100000210258_100000102702 [0,2,0,0,0,0|0,0,1]=3 9706 B12R0.4 CCCOCCOC(C)CC(C)C 34a_100000211805_100011215938 [0,2,0,0,0,0|1,0,1]=4 9707 B12R0.4 CCCOCCOC(C)CC(C)C 34a_100000752267_100000731052 [0,2,0,0,0,0|1,0,1]=4 9708 B12R0.4 CCCOCCOC(C)CC(C)C 7a_100000211805_100011215938 [0,2,0,0,0,0|1,0,1]=4 9709 B12R0.4 CCCOCCOC(C)CC(C)C 7a_100000752267_100000731052 [0,2,0,0,0,0|1,0,1]=4 9710 B12R0.4 CCCSCCNC(=O)CC(C)C 11a_100020603323_100000210554 [0,2,0,0,0,0|1,0,0]=3 9711 B12R0.4 CCCSCCNC(=O)CC(C)C 240690a_100020603323_100000210554 [0,2,0,0,0,0|1,0,0]=3 9712 B12R0.4 CCCSCCNC(=O)CC(C)C 527a_100020603323_100000210554 [0,2,0,0,0,0|1,0,0]=3 9713 B12R0.4 CCCSCCNC(=O)CN(C)C 11a_100020603323_100000750896 [0,2,0,0,0,0|2,0,0]=4 9714 B12R0.4 CCCSCCNC(=O)CN(C)C 240690a_100020603323_100000750896 [0,2,0,0,0,0|2,0,0]=4 9715 B12R0.4 CCCSCCNC(=O)CN(C)C 527a_100020603323_100000750896 [0,2,0,0,0,0|2,0,0]=4 9716 B12R0.4 CCCSCCNC(=O)C[C@@H](C)O 240690a_100020603323_100011933948 [0,2,0,0,0,0|1,0,0]=3 9717 B12R0.4 CCCSCCNC(=O)C[S+](C)C 11a_100020603323_200159257847 [0,2,0,0,0,0|2,0,0]=4 9718 B12R0.4 CCCSCCNC(=O)C[S+](C)C 240690a_100020603323_200159257847 [0,2,0,0,0,0|2,0,0]=4 9719 B12R0.4 CCCSCCNC(=O)C[S+](C)C 527a_100020603323_200159257847 [0,2,0,0,0,0|2,0,0]=4 9720 B12R0.4 CCCSCCNC(=O)NC(C)C 2708a_100020603323_100138425928 [0,2,0,0,0,0|2,0,0]=4 9721 B12R0.4 CCCSCCNC(=O)NC(C)C 2708a_100138425928_100020603323 [0,2,0,0,0,0|2,0,0]=4 9722 B12R0.4 CCCSCCNC(=O)NC(C)C 273464a_100138425928_100020603323 [0,2,0,0,0,0|2,0,0]=4 9723 B12R0.4 CCCSCCNC(=O)NC(C)C 512a_100020603323_100138425928 [0,2,0,0,0,0|2,0,0]=4 9724 B12R0.4 CCCSCCNC(=O)NC(C)C 512a_100138425928_100020603323 [0,2,0,0,0,0|2,0,0]=4 9725 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210303 [0,2,0,0,0,0|0,0,1]=3 9726 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000210303_100000102702 [0,2,0,0,0,0|0,0,1]=3 9727 B12R0.4 CCCSCCOC(C)CC(C)C 34a_200000230433_100000731052 [0,2,0,0,0,0|1,0,1]=4 9728 B12R0.4 CCCSCCOC(C)CC(C)C 7a_200000230433_100000731052 [0,2,0,0,0,0|1,0,1]=4 9729 B12R0.4 CCOCCCNC(=O)CC(C)C 11a_100000210961_100000210554 [0,2,0,0,0,0|1,0,0]=3 9730 B12R0.4 CCOCCCNC(=O)CC(C)C 1626a_100000210961_100000210554 [0,2,0,0,0,0|1,0,0]=3 9731 B12R0.4 CCOCCCNC(=O)CC(C)C 240690a_100000210961_100000210554 [0,2,0,0,0,0|1,0,0]=3 9732 B12R0.4 CCOCCCNC(=O)CC(C)C 527a_100000210961_100000210554 [0,2,0,0,0,0|1,0,0]=3 9733 B12R0.4 CCOCCCNC(=O)CN(C)C 11a_100000210961_100000750896 [0,2,0,0,0,0|2,0,0]=4 9734 B12R0.4 CCOCCCNC(=O)CN(C)C 240690a_100000210961_100000750896 [0,2,0,0,0,0|2,0,0]=4 9735 B12R0.4 CCOCCCNC(=O)CN(C)C 527a_100000210961_100000750896 [0,2,0,0,0,0|2,0,0]=4 9736 B12R0.4 CCOCCCNC(=O)C[C@@H](C)O 240690a_100000210961_100011933948 [0,2,0,0,0,0|1,0,0]=3 9737 B12R0.4 CCOCCCNC(=O)C[S+](C)C 11a_100000210961_200159257847 [0,2,0,0,0,0|2,0,0]=4 9738 B12R0.4 CCOCCCNC(=O)C[S+](C)C 1626a_100000210961_200159257847 [0,2,0,0,0,0|2,0,0]=4 9739 B12R0.4 CCOCCCNC(=O)C[S+](C)C 240690a_100000210961_200159257847 [0,2,0,0,0,0|2,0,0]=4 9740 B12R0.4 CCOCCCNC(=O)C[S+](C)C 527a_100000210961_200159257847 [0,2,0,0,0,0|2,0,0]=4 9741 B12R0.4 CCOCCCNC(=O)NC(C)C 2708a_100000210961_100138425928 [0,2,0,0,0,0|2,0,0]=4 9742 B12R0.4 CCOCCCNC(=O)NC(C)C 2708a_100138425928_100000210961 [0,2,0,0,0,0|2,0,0]=4 9743 B12R0.4 CCOCCCNC(=O)NC(C)C 273464a_100138425928_100000210961 [0,2,0,0,0,0|2,0,0]=4 9744 B12R0.4 CCOCCCNC(=O)NC(C)C 512a_100000210961_100138425928 [0,2,0,0,0,0|2,0,0]=4 9745 B12R0.4 CCOCCCNC(=O)NC(C)C 512a_100138425928_100000210961 [0,2,0,0,0,0|2,0,0]=4 9746 B12R0.4 CCOCCCOC(C)CC(C)C 34a_100000211805_100012232248 [0,2,0,0,0,0|1,0,1]=4 9747 B12R0.4 CCOCCCOC(C)CC(C)C 34a_100000757476_100000731052 [0,2,0,0,0,0|1,0,1]=4 9748 B12R0.4 CCOCCCOC(C)CC(C)C 7a_100000211805_100012232248 [0,2,0,0,0,0|1,0,1]=4 9749 B12R0.4 CCOCCCOC(C)CC(C)C 7a_100000757476_100000731052 [0,2,0,0,0,0|1,0,1]=4 9750 B12R0.4 CCOCCNNC(=O)CC(C)C 22a_100000732670_100000210554 [0,2,0,0,0,0|2,0,0]=4 9751 B12R0.4 CCOCCNNC(=O)C[C@@H](C)O 22a_100000732670_100011933948 [0,2,0,0,0,0|2,0,0]=4 9752 B12R0.4 CCOCCOCC(=O)NC(C)C 34a_100000210136_100000183996 [0,2,0,0,0,0|2,0,0]=4 9753 B12R0.4 CCOCCOCC(=O)NC(C)C 7a_100000210136_100000183996 [0,2,0,0,0,0|2,0,0]=4 9754 B12R0.4 CCOCCOCC(=O)OC(C)C 34a_100000210136_100011215430 [0,2,0,0,0,0|2,0,0]=4 9755 B12R0.4 CCOCCOCC(=O)OC(C)C 7a_100000210136_100011215430 [0,2,0,0,0,0|2,0,0]=4 9756 B12R0.4 CCOCSCOC(=O)OC(C)C 62a_100000003507_100000739092 [0,2,0,0,0,0|2,0,0]=4 9757 B12R0.4 CCOCSCOC(=O)OC(C)C 62a_100000739092_100000003507 [0,2,0,0,0,0|2,0,0]=4 9758 B12R0.4 CCSCCCOC(C)CC(C)C 34a_100011216438_100000731052 [0,2,0,0,0,0|1,0,1]=4 9759 B12R0.4 CCSCCCOC(C)CC(C)C 7a_100011216438_100000731052 [0,2,0,0,0,0|1,0,1]=4 9760 B12R0.4 CCSCCOCC(=O)NC(C)C 34a_100000212035_100000183996 [0,2,0,0,0,0|2,0,0]=4 9761 B12R0.4 CCSCCOCC(=O)NC(C)C 7a_100000212035_100000183996 [0,2,0,0,0,0|2,0,0]=4 9762 B12R0.4 CCSCCOCC(=O)OC(C)C 34a_100000212035_100011215430 [0,2,0,0,0,0|2,0,0]=4 9763 B12R0.4 CCSCCOCC(=O)OC(C)C 7a_100000212035_100011215430 [0,2,0,0,0,0|2,0,0]=4 9764 B12R0.4 CN(C)CC(=O)CCCCCCF 1458a_100000750896_100015922095 [0,2,0,0,0,0|2,0,0]=4 9765 B12R0.4 CN(C)CC(=O)CCCCCCO 1458a_100000750896_100000766143 [0,2,0,0,0,0|2,0,0]=4 9766 B12R0.4 CN(C)CC(=O)NCCCCCO 240690a_100000762737_100000750896 [0,2,0,0,0,0|2,0,0]=4 9767 B12R0.4 CNCCCCCC(=O)OC(C)C 2230a_106832991635_200010986244 [0,2,0,0,0,0|2,0,0]=4 9768 B12R0.4 CNCCCCCC(=O)OC(C)C 34a_100102657272_200010986244 [0,2,0,0,0,0|2,0,0]=4 9769 B12R0.4 CNCCCCCC(=O)OC(C)C 7a_106832991635_200010986244 [0,2,0,0,0,0|2,0,0]=4 9770 B12R0.4 CNCCCOCC(=O)NC(C)C 34a_100000213112_100000183996 [0,2,0,0,0,0|2,0,0]=4 9771 B12R0.4 CNCCCOCC(=O)OC(C)C 34a_100000213112_100011215430 [0,2,0,0,0,0|2,0,0]=4 9772 B12R0.4 COCCCCCC(=O)CC(C)C 1458a_100011935119_100000210624 [0,2,0,0,0,0|1,0,0]=3 9773 B12R0.4 COCCCCCC(=O)CC(C)O 1458a_100011935119_100011218427 [0,2,0,0,0,0|1,0,0]=3 9774 B12R0.4 COCCCCCC(=O)CC(F)F 1458a_100011935119_100011934356 [0,2,0,0,0,0|2,0,0]=4 9775 B12R0.4 COCCCCCC(=O)NC(C)C 11a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 9776 B12R0.4 COCCCCCC(=O)NC(C)C 1626a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 9777 B12R0.4 COCCCCCC(=O)NC(C)C 240690a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 9778 B12R0.4 COCCCCCC(=O)NC(C)C 527a_100138425928_100011935119 [0,2,0,0,0,0|2,0,0]=4 9779 B12R0.4 COCCCCCC(=O)OC(C)C 34a_100138415774_200010986244 [0,2,0,0,0,0|2,0,0]=4 9780 B12R0.4 COCCCCOC(C)CC(C)C 34a_100000211805_100000755781 [0,2,0,0,0,0|1,0,1]=4 9781 B12R0.4 COCCCCOC(C)CC(C)C 34a_100000740925_100000731052 [0,2,0,0,0,0|1,0,1]=4 9782 B12R0.4 COCCCCOC(C)CC(C)C 7a_100000211805_100000730899 [0,2,0,0,0,0|1,0,1]=4 9783 B12R0.4 COCCCNNC(=O)CC(C)C 22a_100025702787_100000210554 [0,2,0,0,0,0|2,0,0]=4 9784 B12R0.4 COCCCNNC(=O)C[C@@H](C)O 22a_100025702787_100011933948 [0,2,0,0,0,0|2,0,0]=4 9785 B12R0.4 COCCCOCC(=O)NC(C)C 34a_100000740835_100000183996 [0,2,0,0,0,0|2,0,0]=4 9786 B12R0.4 COCCCOCC(=O)OC(C)C 34a_100000740835_100011215430 [0,2,0,0,0,0|2,0,0]=4 9787 B12R0.4 COCCOCCC(=O)CC(C)C 1458a_100000210554_100000695917 [0,2,0,0,0,0|2,0,0]=4 9788 B12R0.4 COCCOCCC(=O)CC(C)C 1458a_100000745395_100000210624 [0,2,0,0,0,0|2,0,0]=4 9789 B12R0.4 COCCOCCC(=O)CC(C)O 1458a_100000745395_100011218427 [0,2,0,0,0,0|2,0,0]=4 9790 B12R0.4 COCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000695917 [0,2,0,0,0,0|2,0,0]=4 9791 B12R0.4 COCCSCOC(=O)OC(C)C 62a_100000003507_100000233755 [0,2,0,0,0,0|2,0,0]=4 9792 B12R0.4 COCCSCOC(=O)OC(C)C 62a_100000233755_100000003507 [0,2,0,0,0,0|2,0,0]=4 9793 B12R0.4 COCSCCOC(=O)CC(=O)C 62a_100000102702_100000766300 [0,2,0,0,0,0|1,0,1]=4 9794 B12R0.4 COCSCCOC(=O)CC(=O)C 62a_100000766300_100000102702 [0,2,0,0,0,0|1,0,1]=4 9795 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200000210301_200010986244 [0,2,0,0,0,0|2,0,0]=4 9796 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200010986244_200000210301 [0,2,0,0,0,0|2,0,0]=4 9797 B12R0.4 CSCCCCOC(C)CC(C)C 34a_100011217163_100000731052 [0,2,0,0,0,0|1,0,1]=4 9798 B12R0.4 CSCCCCOC(C)CC(C)C 7a_100011217163_100000731052 [0,2,0,0,0,0|1,0,1]=4 9799 B12R0.4 CSCCCOCC(=O)NC(C)C 34a_100000690336_100000183996 [0,2,0,0,0,0|2,0,0]=4 9800 B12R0.4 CSCCCOCC(=O)NC(C)C 7a_100000690336_100000183996 [0,2,0,0,0,0|2,0,0]=4 9801 B12R0.4 CSCCCOCC(=O)OC(C)C 34a_100000690336_100011215430 [0,2,0,0,0,0|2,0,0]=4 9802 B12R0.4 CSCCCOCC(=O)OC(C)C 7a_100000690336_100011215430 [0,2,0,0,0,0|2,0,0]=4 9803 B12R0.4 CSCCSCOC(=O)OC(C)C 62a_100000003507_100000751147 [0,2,0,0,0,0|2,0,0]=4 9804 B12R0.4 CSCCSCOC(=O)OC(C)C 62a_100000212216_100000003507 [0,2,0,0,0,0|2,0,0]=4 9805 B12R0.4 CSCSCCOC(=O)CC(=O)C 62a_100000102702_100011218213 [0,2,0,0,0,0|1,0,1]=4 9806 B12R0.4 CSCSCCOC(=O)CC(=O)C 62a_100011218213_100000102702 [0,2,0,0,0,0|1,0,1]=4 9807 B12R0.4 C[C@@H](O)CC(=O)CCCCCC#N 1458a_100011933948_100009813376 [0,2,0,0,0,0|1,0,1]=4 9808 B12R0.4 C[C@@H](O)CC(=O)CCCCCCF 1458a_100011933948_100015922095 [0,2,0,0,0,0|1,0,0]=3 9809 B12R0.4 C[C@@H](O)CC(=O)CCCCCCO 1458a_100011933948_100000766143 [0,2,0,0,0,0|1,0,0]=3 9810 B12R0.4 C[C@@H](O)CC(=O)NCCCCC#N 240690a_100000751965_100011933948 [0,2,0,0,0,0|1,0,1]=4 9811 B12R0.4 C[C@@H](O)CC(=O)NCCCCCO 240690a_100000762737_100011933948 [0,2,0,0,0,0|1,0,0]=3 9812 B12R0.4 C[C@@H](O)CC(=O)NCCOCCO 240690a_100000211614_100011933948 [0,2,0,0,0,0|2,0,0]=4 9813 B12R0.4 C[C@@H](O)CC(=O)NCCSCCO 240690a_100011219999_100011933948 [0,2,0,0,0,0|2,0,0]=4 9814 B12R0.4 C[S+](C)CC(=O)CCCCCCF 1458a_200159257847_100015922095 [0,2,0,0,0,0|2,0,0]=4 9815 B12R0.4 C[S+](C)CC(=O)CCCCCCO 1458a_200159257847_100000766143 [0,2,0,0,0,0|2,0,0]=4 9816 B12R0.4 C[S+](C)CC(=O)NCCCCCO 240690a_100000762737_200159257847 [0,2,0,0,0,0|2,0,0]=4 9817 B12R0.4 O=C(CCCCCCO)CC(F)F 1458a_100011996774_100011934356 [0,2,0,0,0,0|2,0,0]=4 9818 B12R0.46 CC(C)C(C)C(=O)CCCCCF 1458a_100000755409_100000729378 [0,2,0,0,0,0|2,0,0]=4 9819 B12R0.46 CC(C)C(C)C(=O)CCCCCO 1458a_100000755409_100000746330 [0,2,0,0,0,0|2,0,0]=4 9820 B12R0.46 CC(C)C(C)C(=O)NCCCCO 240690a_100000750430_100000755409 [0,2,0,0,0,0|2,0,0]=4 9821 B12R0.46 CC(C)C(C)C(=O)NCCCCO 527a_100000750430_100000755409 [0,2,0,0,0,0|2,0,0]=4 9822 B12R0.46 CC(C)[C@@H](O)C(=O)CCCCCF 1458a_100000691806_100000729378 [0,2,0,0,0,0|2,0,0]=4 9823 B12R0.46 CC(C)[C@@H](O)C(=O)CCCCCO 1458a_100000691806_100000746330 [0,2,0,0,0,0|2,0,0]=4 9824 B12R0.46 CC(C)[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000691806 [0,2,0,0,0,0|2,0,0]=4 9825 B12R0.46 CCCCCCC(=O)C(C)C(=O)C 1458a_100102632555_100000179758 [0,2,0,0,0,0|1,0,1]=4 9826 B12R0.46 CCCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210757 [0,2,0,0,0,0|1,0,0]=3 9827 B12R0.46 CCCCCCC(=O)N(C)C(C)C 11a_200000211004_100102632555 [0,2,0,0,0,0|2,0,0]=4 9828 B12R0.46 CCCCCCC(=O)N(C)C(C)C 1626a_200000211004_100102632555 [0,2,0,0,0,0|2,0,0]=4 9829 B12R0.46 CCCCCCC(=O)N(C)C(C)C 240690a_200000211004_100102632555 [0,2,0,0,0,0|2,0,0]=4 9830 B12R0.46 CCCCCCC(=O)N(C)C(C)C 527a_200000211004_100102632555 [0,2,0,0,0,0|2,0,0]=4 9831 B12R0.46 CCCCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210757 [0,2,0,0,0,0|2,0,0]=4 9832 B12R0.46 CCCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210757 [0,2,0,0,0,0|1,0,0]=3 9833 B12R0.46 CCCCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000735910 [0,2,0,0,0,0|1,0,1]=4 9834 B12R0.46 CCCCCNC(=O)C(C)C(C)C 11a_100000209983_100000755409 [0,2,0,0,0,0|1,0,0]=3 9835 B12R0.46 CCCCCNC(=O)C(C)C(C)C 1626a_100000209983_100000755409 [0,2,0,0,0,0|1,0,0]=3 9836 B12R0.46 CCCCCNC(=O)C(C)C(C)C 240690a_100000209983_100000755409 [0,2,0,0,0,0|1,0,0]=3 9837 B12R0.46 CCCCCNC(=O)C(C)C(C)C 527a_100000209983_100000755409 [0,2,0,0,0,0|1,0,0]=3 9838 B12R0.46 CCCCCNC(=O)C(C)N(C)C 2230a_100102631434_100000735910 [0,2,0,0,0,0|2,0,0]=4 9839 B12R0.46 CCCCCNC(=O)C(C)N(C)C 269982a_100102631434_100000735910 [0,2,0,0,0,0|2,0,0]=4 9840 B12R0.46 CCCCCNC(=O)N(C)C(C)C 2708a_100000209983_200000211004 [0,2,0,0,0,0|2,0,0]=4 9841 B12R0.46 CCCCCNC(=O)N(C)C(C)C 273464a_100000209983_200000211004 [0,2,0,0,0,0|2,0,0]=4 9842 B12R0.46 CCCCCNC(=O)[C@H](C)N(C)C 240690a_100000209983_100009822176 [0,2,0,0,0,0|2,0,0]=4 9843 B12R0.46 CCCCCNC(=O)[C@H](C)N(C)C 527a_100000209983_100009822176 [0,2,0,0,0,0|2,0,0]=4 9844 B12R0.46 CCCCCNC(=O)[C@H](O)C(C)C 240690a_100000209983_100000691806 [0,2,0,0,0,0|1,0,0]=3 9845 B12R0.46 CCCCNNC(=O)C(C)C(C)C 22a_100025702795_100000755409 [0,2,0,0,0,0|2,0,0]=4 9846 B12R0.46 CCCCNNC(=O)[C@H](O)C(C)C 22a_100025702795_100000691806 [0,2,0,0,0,0|2,0,0]=4 9847 B12R0.46 CCCCOCC(=O)C(C)C(C)C 1458a_100000755409_100011995733 [0,2,0,0,0,0|2,0,0]=4 9848 B12R0.46 CCCCOCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011995733 [0,2,0,0,0,0|2,0,0]=4 9849 B12R0.46 CCCOCCC(=O)C(C)C(C)C 1458a_100000755409_100011215938 [0,2,0,0,0,0|2,0,0]=4 9850 B12R0.46 CCCOCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011215938 [0,2,0,0,0,0|2,0,0]=4 9851 B12R0.46 CCOCCCC(=O)C(C)C(C)C 1458a_100000755409_100012232248 [0,2,0,0,0,0|2,0,0]=4 9852 B12R0.46 CCOCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100012232248 [0,2,0,0,0,0|2,0,0]=4 9853 B12R0.46 CCOCCNC(=O)C(C)C(C)C 11a_100011200944_100000755409 [0,2,0,0,0,0|2,0,0]=4 9854 B12R0.46 CCOCCNC(=O)C(C)C(C)C 1626a_102516460346_100000755409 [0,2,0,0,0,0|2,0,0]=4 9855 B12R0.46 CCOCCNC(=O)C(C)C(C)C 240690a_100011200944_100000755409 [0,2,0,0,0,0|2,0,0]=4 9856 B12R0.46 CCOCCNC(=O)C(C)C(C)C 527a_100011200944_100000755409 [0,2,0,0,0,0|2,0,0]=4 9857 B12R0.46 CCOCCNC(=O)[C@H](O)C(C)C 240690a_100011200944_100000691806 [0,2,0,0,0,0|2,0,0]=4 9858 B12R0.46 CCSCCNC(=O)C(C)C(C)C 11a_100000106463_100000755409 [0,2,0,0,0,0|2,0,0]=4 9859 B12R0.46 CCSCCNC(=O)C(C)C(C)C 1626a_100000106463_100000755409 [0,2,0,0,0,0|2,0,0]=4 9860 B12R0.46 CCSCCNC(=O)C(C)C(C)C 240690a_100000106463_100000755409 [0,2,0,0,0,0|2,0,0]=4 9861 B12R0.46 CCSCCNC(=O)C(C)C(C)C 527a_100000106463_100000755409 [0,2,0,0,0,0|2,0,0]=4 9862 B12R0.46 CCSCCNC(=O)[C@H](O)C(C)C 240690a_100000106463_100000691806 [0,2,0,0,0,0|2,0,0]=4 9863 B12R0.46 COCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000755781 [0,2,0,0,0,0|2,0,0]=4 9864 B12R0.46 COCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000755781 [0,2,0,0,0,0|2,0,0]=4 9865 B12R0.46 COCCCNC(=O)C(C)C(C)C 1626a_100150723488_100000755409 [0,2,0,0,0,0|2,0,0]=4 9866 B12R0.46 COCCCNC(=O)C(C)C(C)C 240690a_100150723488_100000755409 [0,2,0,0,0,0|2,0,0]=4 9867 B12R0.46 COCCCNC(=O)C(C)C(C)C 527a_100150723488_100000755409 [0,2,0,0,0,0|2,0,0]=4 9868 B12R0.46 COCCCNC(=O)[C@H](O)C(C)C 240690a_100150723488_100000691806 [0,2,0,0,0,0|2,0,0]=4 9869 B12R0.46 CSCCCNC(=O)C(C)C(C)C 11a_100000749238_100000755409 [0,2,0,0,0,0|2,0,0]=4 9870 B12R0.46 CSCCCNC(=O)C(C)C(C)C 1626a_100000749238_100000755409 [0,2,0,0,0,0|2,0,0]=4 9871 B12R0.46 CSCCCNC(=O)C(C)C(C)C 240690a_100000749238_100000755409 [0,2,0,0,0,0|2,0,0]=4 9872 B12R0.46 CSCCCNC(=O)C(C)C(C)C 527a_100000749238_100000755409 [0,2,0,0,0,0|2,0,0]=4 9873 B12R0.46 CSCCCNC(=O)[C@H](O)C(C)C 240690a_100000749238_100000691806 [0,2,0,0,0,0|2,0,0]=4 9874 B12R0.113 C#CC(C)NC(=O)CCCCCC 11a_100000707721_100102632555 [0,2,0,0,0,0|2,0,0]=4 9875 B12R0.113 C#CC(C)NC(=O)CCCCCC 1626a_100000707721_100102632555 [0,2,0,0,0,0|2,0,0]=4 9876 B12R0.113 C#CC(C)NC(=O)CCCCCC 240690a_100000707721_100102632555 [0,2,0,0,0,0|2,0,0]=4 9877 B12R0.113 C#CC(C)NC(=O)CCCCCC 527a_100000707721_100102632555 [0,2,0,0,0,0|2,0,0]=4 9878 B12R0.113 C#CC(C)NC(=O)NCCCCC 2708a_100000209983_100000707721 [0,2,0,0,0,0|2,0,0]=4 9879 B12R0.113 C#CC(C)NC(=O)NCCCCC 2708a_100000707721_100000209983 [0,2,0,0,0,0|2,0,0]=4 9880 B12R0.113 C#CC(C)NC(=O)NCCCCC 273464a_100000209983_100000707721 [0,2,0,0,0,0|2,0,0]=4 9881 B12R0.113 C#CC(C)NC(=O)NCCCCC 273464a_100000707721_100000209983 [0,2,0,0,0,0|2,0,0]=4 9882 B12R0.113 C#CC(C)NC(=O)NCCCCC 512a_100000209983_100000707721 [0,2,0,0,0,0|2,0,0]=4 9883 B12R0.113 C#CC(C)NC(=O)NCCCCC 512a_100000707721_100000209983 [0,2,0,0,0,0|2,0,0]=4 9884 B12R0.113 C=CC(C)CC(=O)CCCCCC 1458a_100011934298_100000210757 [0,2,0,0,0,0|1,0,0]=3 9885 B12R0.113 C=CC(C)CC(=O)CCCCCF 1458a_100011934298_100000729378 [0,2,0,0,0,0|2,0,0]=4 9886 B12R0.113 C=CC(C)CC(=O)CCCCCO 1458a_100011934298_100000746330 [0,2,0,0,0,0|2,0,0]=4 9887 B12R0.113 C=CC(C)CC(=O)CCCCOC 1458a_100011934298_100000755781 [0,2,0,0,0,0|2,0,0]=4 9888 B12R0.113 C=CC(C)CC(=O)CCCOCC 1458a_100011934298_100012232248 [0,2,0,0,0,0|2,0,0]=4 9889 B12R0.113 C=CC(C)CC(=O)CCOCCC 1458a_100011934298_100011215938 [0,2,0,0,0,0|2,0,0]=4 9890 B12R0.113 C=CC(C)CC(=O)COCCCC 1458a_100011934298_100011995733 [0,2,0,0,0,0|2,0,0]=4 9891 B12R0.113 C=CC(C)CC(=O)NCCCCC 11a_100000209983_100011934298 [0,2,0,0,0,0|1,0,0]=3 9892 B12R0.113 C=CC(C)CC(=O)NCCCCC 1626a_100000209983_100011934298 [0,2,0,0,0,0|1,0,0]=3 9893 B12R0.113 C=CC(C)CC(=O)NCCCCC 240690a_100000209983_100011934298 [0,2,0,0,0,0|1,0,0]=3 9894 B12R0.113 C=CC(C)CC(=O)NCCCCC 527a_100000209983_100011934298 [0,2,0,0,0,0|1,0,0]=3 9895 B12R0.113 C=CC(C)CC(=O)NCCCCO 240690a_100000750430_100011934298 [0,2,0,0,0,0|2,0,0]=4 9896 B12R0.113 C=CC(C)CC(=O)NCCCCO 527a_100000750430_100011934298 [0,2,0,0,0,0|2,0,0]=4 9897 B12R0.113 C=CC(C)CC(=O)NCCCOC 1626a_100150723488_100011934298 [0,2,0,0,0,0|2,0,0]=4 9898 B12R0.113 C=CC(C)CC(=O)NCCCOC 240690a_100150723488_100011934298 [0,2,0,0,0,0|2,0,0]=4 9899 B12R0.113 C=CC(C)CC(=O)NCCCOC 527a_100150723488_100011934298 [0,2,0,0,0,0|2,0,0]=4 9900 B12R0.113 C=CC(C)CC(=O)NCCCSC 11a_100000749238_100011934298 [0,2,0,0,0,0|2,0,0]=4 9901 B12R0.113 C=CC(C)CC(=O)NCCCSC 1626a_100000749238_100011934298 [0,2,0,0,0,0|2,0,0]=4 9902 B12R0.113 C=CC(C)CC(=O)NCCCSC 240690a_100000749238_100011934298 [0,2,0,0,0,0|2,0,0]=4 9903 B12R0.113 C=CC(C)CC(=O)NCCCSC 527a_100000749238_100011934298 [0,2,0,0,0,0|2,0,0]=4 9904 B12R0.113 C=CC(C)CC(=O)NCCOCC 11a_100011200944_100011934298 [0,2,0,0,0,0|2,0,0]=4 9905 B12R0.113 C=CC(C)CC(=O)NCCOCC 1626a_102516460346_100011934298 [0,2,0,0,0,0|2,0,0]=4 9906 B12R0.113 C=CC(C)CC(=O)NCCOCC 240690a_100011200944_100011934298 [0,2,0,0,0,0|2,0,0]=4 9907 B12R0.113 C=CC(C)CC(=O)NCCOCC 527a_100011200944_100011934298 [0,2,0,0,0,0|2,0,0]=4 9908 B12R0.113 C=CC(C)CC(=O)NCCSCC 11a_100000106463_100011934298 [0,2,0,0,0,0|2,0,0]=4 9909 B12R0.113 C=CC(C)CC(=O)NCCSCC 1626a_100000106463_100011934298 [0,2,0,0,0,0|2,0,0]=4 9910 B12R0.113 C=CC(C)CC(=O)NCCSCC 240690a_100000106463_100011934298 [0,2,0,0,0,0|2,0,0]=4 9911 B12R0.113 C=CC(C)CC(=O)NCCSCC 527a_100000106463_100011934298 [0,2,0,0,0,0|2,0,0]=4 9912 B12R0.113 C=CC(C)CC(=O)NNCCCC 22a_100025702795_100011934298 [0,2,0,0,0,0|2,0,0]=4 9913 B12R0.113 CCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747405 [0,2,0,0,0,0|2,0,0]=4 9914 B12R0.113 CCC(=O)CC(=O)NCCCOC 1458a_100000210414_100000183178 [0,2,0,0,0,0|2,0,0]=4 9915 B12R0.113 CCC(C)CC(=O)CCCCCF 1458a_100000708755_100000729378 [0,2,0,0,0,0|2,0,0]=4 9916 B12R0.113 CCC(C)CC(=O)CCCCCO 1458a_100000708755_100000746330 [0,2,0,0,0,0|2,0,0]=4 9917 B12R0.113 CCC(C)CC(=O)CCCCCO 1458a_100102619762_100000748023 [0,2,0,0,0,0|2,0,0]=4 9918 B12R0.113 CCC(C)CC(=O)CCCCOC 1458a_100000708755_100000755781 [0,2,0,0,0,0|2,0,0]=4 9919 B12R0.113 CCC(C)CC(=O)NCCCCO 240690a_100000750430_100000708755 [0,2,0,0,0,0|2,0,0]=4 9920 B12R0.113 CCC(C)CC(=O)NCCCCO 527a_100000750430_100000708755 [0,2,0,0,0,0|2,0,0]=4 9921 B12R0.113 CCC(C)CC(=O)NCCCOC 1626a_100150723488_100000708755 [0,2,0,0,0,0|2,0,0]=4 9922 B12R0.113 CCC(C)CC(=O)NCCCOC 240690a_100150723488_100000708755 [0,2,0,0,0,0|2,0,0]=4 9923 B12R0.113 CCC(C)CC(=O)NCCCOC 527a_100150723488_100000708755 [0,2,0,0,0,0|2,0,0]=4 9924 B12R0.113 CCC(C)CC(=O)NCCCSC 11a_100000749238_100000708755 [0,2,0,0,0,0|2,0,0]=4 9925 B12R0.113 CCC(C)CC(=O)NCCCSC 1626a_100000749238_100000708755 [0,2,0,0,0,0|2,0,0]=4 9926 B12R0.113 CCC(C)CC(=O)NCCCSC 240690a_100000749238_100000708755 [0,2,0,0,0,0|2,0,0]=4 9927 B12R0.113 CCC(C)CC(=O)NCCCSC 527a_100000749238_100000708755 [0,2,0,0,0,0|2,0,0]=4 9928 B12R0.113 CCC(C)NC(=O)CCCCCO 240690a_100000209981_100102619762 [0,2,0,0,0,0|2,0,0]=4 9929 B12R0.113 CCC(C)NC(=O)NCCCCO 2708a_100000209981_100000750430 [0,2,0,0,0,0|2,0,0]=4 9930 B12R0.113 CCC(C)NC(=O)NCCCCO 2708a_100000750430_100000209981 [0,2,0,0,0,0|2,0,0]=4 9931 B12R0.113 CCC(C)NC(=O)NCCCCO 273464a_100000209981_100000750430 [0,2,0,0,0,0|2,0,0]=4 9932 B12R0.113 CCC(C)NC(=O)NCCCCO 273464a_100000750430_100000209981 [0,2,0,0,0,0|2,0,0]=4 9933 B12R0.113 CCC(C)NC(=O)NCCCCO 512a_100000209981_100000750430 [0,2,0,0,0,0|2,0,0]=4 9934 B12R0.113 CCC(C)NC(=O)NCCCCO 512a_100000750430_100000209981 [0,2,0,0,0,0|2,0,0]=4 9935 B12R0.113 CCC(C)NC(=O)NCCCOC 2708a_100000209981_100150723488 [0,2,0,0,0,0|2,0,0]=4 9936 B12R0.113 CCC(C)NC(=O)NCCCOC 2708a_100150723488_100000209981 [0,2,0,0,0,0|2,0,0]=4 9937 B12R0.113 CCC(C)NC(=O)NCCCOC 273464a_100000209981_100150723488 [0,2,0,0,0,0|2,0,0]=4 9938 B12R0.113 CCC(C)NC(=O)NCCCOC 273464a_100150723488_100000209981 [0,2,0,0,0,0|2,0,0]=4 9939 B12R0.113 CCC(C)NC(=O)NCCCOC 512a_100000209981_100150723488 [0,2,0,0,0,0|2,0,0]=4 9940 B12R0.113 CCC(C)NC(=O)NCCCSC 2708a_100000209981_100000749238 [0,2,0,0,0,0|2,0,0]=4 9941 B12R0.113 CCC(C)NC(=O)NCCCSC 2708a_100000749238_100000209981 [0,2,0,0,0,0|2,0,0]=4 9942 B12R0.113 CCC(C)NC(=O)NCCCSC 273464a_100000209981_100000749238 [0,2,0,0,0,0|2,0,0]=4 9943 B12R0.113 CCC(C)NC(=O)NCCCSC 273464a_100000749238_100000209981 [0,2,0,0,0,0|2,0,0]=4 9944 B12R0.113 CCC(C)NC(=O)NCCCSC 512a_100000209981_100000749238 [0,2,0,0,0,0|2,0,0]=4 9945 B12R0.113 CCC(C)NC(=O)NCCCSC 512a_100000749238_100000209981 [0,2,0,0,0,0|2,0,0]=4 9946 B12R0.113 CCC(O)CC(=O)CCCCCF 1458a_100011667805_100000729378 [0,2,0,0,0,0|2,0,0]=4 9947 B12R0.113 CCC(O)CC(=O)CCCCCO 1458a_100011667805_100000746330 [0,2,0,0,0,0|2,0,0]=4 9948 B12R0.113 CCC(O)CC(=O)CCCCCO 1458a_100102619762_100011218378 [0,2,0,0,0,0|2,0,0]=4 9949 B12R0.113 CCC(O)CC(=O)CCCCOC 1458a_100011667805_100000755781 [0,2,0,0,0,0|2,0,0]=4 9950 B12R0.113 CCC(O)CC(=O)NCCCCO 240690a_100000750430_100011667805 [0,2,0,0,0,0|2,0,0]=4 9951 B12R0.113 CCC(O)CC(=O)NCCCOC 1626a_100150723488_100011667805 [0,2,0,0,0,0|2,0,0]=4 9952 B12R0.113 CCC(O)CC(=O)NCCCOC 240690a_100150723488_100011667805 [0,2,0,0,0,0|2,0,0]=4 9953 B12R0.113 CCC(O)CC(=O)NCCCSC 1626a_100000749238_100011667805 [0,2,0,0,0,0|2,0,0]=4 9954 B12R0.113 CCC(O)CC(=O)NCCCSC 240690a_100000749238_100011667805 [0,2,0,0,0,0|2,0,0]=4 9955 B12R0.113 CCCCC=CC(=O)CC(=O)CC 1458a_100016266645_100000747405 [0,2,0,0,0,0|1,0,1]=4 9956 B12R0.113 CCCCC=CC(=O)CC(C)CC 1458a_100016266645_100000748023 [0,2,0,0,0,0|1,0,1]=4 9957 B12R0.113 CCCCC=CC(=O)CC(O)CC 1458a_100016266645_100011218378 [0,2,0,0,0,0|1,0,1]=4 9958 B12R0.113 CCCCC=CC(=O)C[C@@H](C)CC 1458a_100016266645_100009816398 [0,2,0,0,0,0|1,0,1]=4 9959 B12R0.113 CCCCC=CC(=O)C[C@@H](C)CO 1458a_100016266645_100000059175 [0,2,0,0,0,0|1,0,1]=4 9960 B12R0.113 CCCCC=CC(=O)NC(C)CC 11a_100000209981_100016266645 [0,2,0,0,0,0|1,0,1]=4 9961 B12R0.113 CCCCC=CC(=O)NC(C)CC 1626a_100000209981_100016266645 [0,2,0,0,0,0|1,0,1]=4 9962 B12R0.113 CCCCC=CC(=O)NC(C)CC 240690a_100000209981_100016266645 [0,2,0,0,0,0|1,0,1]=4 9963 B12R0.113 CCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210757 [0,2,0,0,0,0|1,0,1]=4 9964 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [0,2,0,0,0,0|1,0,0]=3 9965 B12R0.113 CCCCCCC(=O)CC(=O)NC 1458a_100102632555_100000183359 [0,2,0,0,0,0|1,0,1]=4 9966 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [0,2,0,0,0,0|1,0,1]=4 9967 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [0,2,0,0,0,0|1,0,1]=4 9968 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210757 [0,2,0,0,0,0|1,0,0]=3 9969 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100102632555_100000748023 [0,2,0,0,0,0|1,0,0]=3 9970 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210757 [0,2,0,0,0,0|1,0,0]=3 9971 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100102632555_100011218378 [0,2,0,0,0,0|1,0,0]=3 9972 B12R0.113 CCCCCCC(=O)CN(C)CC 1458a_100116209913_100000210757 [0,2,0,0,0,0|1,0,0]=3 9973 B12R0.113 CCCCCCC(=O)C[C@@H](C)CC 1458a_100102632555_100009816398 [0,2,0,0,0,0|1,0,0]=3 9974 B12R0.113 CCCCCCC(=O)C[C@@H](C)CO 1458a_100102632555_100000059175 [0,2,0,0,0,0|1,0,0]=3 9975 B12R0.113 CCCCCCC(=O)NC(C)C#N 11a_100000737613_100102632555 [0,2,0,0,0,0|2,0,0]=4 9976 B12R0.113 CCCCCCC(=O)NC(C)C#N 1626a_100000737613_100102632555 [0,2,0,0,0,0|2,0,0]=4 9977 B12R0.113 CCCCCCC(=O)NC(C)C#N 527a_100000737613_100102632555 [0,2,0,0,0,0|2,0,0]=4 9978 B12R0.113 CCCCCCC(=O)NC(C)CC 11a_100000209981_100102632555 [0,2,0,0,0,0|1,0,0]=3 9979 B12R0.113 CCCCCCC(=O)NC(C)CC 1626a_100000209981_100102632555 [0,2,0,0,0,0|1,0,0]=3 9980 B12R0.113 CCCCCCC(=O)NC(C)CC 240690a_100000209981_100102632555 [0,2,0,0,0,0|1,0,0]=3 9981 B12R0.113 CCCCCCC(=O)NC(C)CC 527a_100000209981_100102632555 [0,2,0,0,0,0|1,0,0]=3 9982 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100102632555 [0,2,0,0,0,0|2,0,0]=4 9983 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100102632555 [0,2,0,0,0,0|2,0,0]=4 9984 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100102632555 [0,2,0,0,0,0|2,0,0]=4 9985 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 527a_100102880703_100102632555 [0,2,0,0,0,0|2,0,0]=4 9986 B12R0.113 CCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100102632555 [0,2,0,0,0,0|2,0,0]=4 9987 B12R0.113 CCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100102632555 [0,2,0,0,0,0|2,0,0]=4 9988 B12R0.113 CCCCCNC(=O)C=C(C)CC 11a_100000209983_100020758463 [0,2,0,0,0,0|1,0,1]=4 9989 B12R0.113 CCCCCNC(=O)C=C(C)CC 1626a_100000209983_100020758463 [0,2,0,0,0,0|1,0,1]=4 9990 B12R0.113 CCCCCNC(=O)C=C(C)CC 240690a_100000209983_100020758463 [0,2,0,0,0,0|1,0,1]=4 9991 B12R0.113 CCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230301 [0,2,0,0,0,0|1,0,0]=3 9992 B12R0.113 CCCCCNC(=O)CC(=O)CO 1458a_100000210174_100000230301 [0,2,0,0,0,0|1,0,1]=4 9993 B12R0.113 CCCCCNC(=O)CC(=O)OC 240690a_100000209983_100000211351 [0,2,0,0,0,0|1,0,1]=4 9994 B12R0.113 CCCCCNC(=O)CC(C)CC 11a_100000209983_100000708755 [0,2,0,0,0,0|1,0,0]=3 9995 B12R0.113 CCCCCNC(=O)CC(C)CC 1626a_100000209983_100000708755 [0,2,0,0,0,0|1,0,0]=3 9996 B12R0.113 CCCCCNC(=O)CC(C)CC 240690a_100000209983_100000708755 [0,2,0,0,0,0|1,0,0]=3 9997 B12R0.113 CCCCCNC(=O)CC(C)CC 527a_100000209983_100000708755 [0,2,0,0,0,0|1,0,0]=3 9998 B12R0.113 CCCCCNC(=O)CC(O)CC 1626a_100000209983_100011667805 [0,2,0,0,0,0|1,0,0]=3 9999 B12R0.113 CCCCCNC(=O)CC(O)CC 240690a_100000209983_100011667805 [0,2,0,0,0,0|1,0,0]=3 10000 B12R0.113 CCCCCNC(=O)CN(C)CC 2230a_100000225621_100000230301 [0,2,0,0,0,0|1,0,0]=3 10001 B12R0.113 CCCCCNC(=O)CN(C)CC 240690a_100000209983_100116209913 [0,2,0,0,0,0|1,0,0]=3 10002 B12R0.113 CCCCCNC(=O)CN(C)CC 269982a_100000225621_100000230301 [0,2,0,0,0,0|1,0,0]=3 10003 B12R0.113 CCCCCNC(=O)CN(C)CC 527a_100000209983_100116209913 [0,2,0,0,0,0|1,0,0]=3 10004 B12R0.113 CCCCCNC(=O)NC(C)C#N 2708a_100000209983_100000737613 [0,2,0,0,0,0|2,0,0]=4 10005 B12R0.113 CCCCCNC(=O)NC(C)C#N 2708a_100000737613_100000209983 [0,2,0,0,0,0|2,0,0]=4 10006 B12R0.113 CCCCCNC(=O)NC(C)C#N 273464a_100000209983_100000737613 [0,2,0,0,0,0|2,0,0]=4 10007 B12R0.113 CCCCCNC(=O)NC(C)C#N 273464a_100000737613_100000209983 [0,2,0,0,0,0|2,0,0]=4 10008 B12R0.113 CCCCCNC(=O)NC(C)C#N 512a_100000209983_100000737613 [0,2,0,0,0,0|2,0,0]=4 10009 B12R0.113 CCCCCNC(=O)NC(C)C#N 512a_100000737613_100000209983 [0,2,0,0,0,0|2,0,0]=4 10010 B12R0.113 CCCCCNC(=O)NC(C)CC 2708a_100000209981_100000209983 [0,2,0,0,0,0|1,0,0]=3 10011 B12R0.113 CCCCCNC(=O)NC(C)CC 2708a_100000209983_100000209981 [0,2,0,0,0,0|1,0,0]=3 10012 B12R0.113 CCCCCNC(=O)NC(C)CC 273464a_100000209981_100000209983 [0,2,0,0,0,0|1,0,0]=3 10013 B12R0.113 CCCCCNC(=O)NC(C)CC 273464a_100000209983_100000209981 [0,2,0,0,0,0|1,0,0]=3 10014 B12R0.113 CCCCCNC(=O)NC(C)CC 512a_100000209981_100000209983 [0,2,0,0,0,0|1,0,0]=3 10015 B12R0.113 CCCCCNC(=O)NC(C)CC 512a_100000209983_100000209981 [0,2,0,0,0,0|1,0,0]=3 10016 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 2708a_100000209983_100102880703 [0,2,0,0,0,0|2,0,0]=4 10017 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 273464a_100000209983_100102880703 [0,2,0,0,0,0|2,0,0]=4 10018 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000209983 [0,2,0,0,0,0|2,0,0]=4 10019 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 512a_100000209983_100102880703 [0,2,0,0,0,0|2,0,0]=4 10020 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000209983 [0,2,0,0,0,0|2,0,0]=4 10021 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 2708a_100000209983_100000737577 [0,2,0,0,0,0|2,0,0]=4 10022 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000209983 [0,2,0,0,0,0|2,0,0]=4 10023 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 512a_100000209983_100000737577 [0,2,0,0,0,0|2,0,0]=4 10024 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000209983 [0,2,0,0,0,0|2,0,0]=4 10025 B12R0.113 CCCCNCC(=O)NC(C)CC 2230a_100000102301_100000182745 [0,2,0,0,0,0|2,0,0]=4 10026 B12R0.113 CCCCNCC(=O)NC(C)CC 7a_106832991798_100000182745 [0,2,0,0,0,0|2,0,0]=4 10027 B12R0.113 CCCCNNC(=O)CC(C)CC 22a_100025702795_100000708755 [0,2,0,0,0,0|2,0,0]=4 10028 B12R0.113 CCCCNNC(=O)CC(O)CC 22a_100025702795_100011667805 [0,2,0,0,0,0|2,0,0]=4 10029 B12R0.113 CCCCNNC(=O)CN(C)CC 22a_100025702795_100116209913 [0,2,0,0,0,0|2,0,0]=4 10030 B12R0.113 CCCCNNC(=O)NC(C)CC 273464a_100000209981_100025702795 [0,2,0,0,0,0|2,0,0]=4 10031 B12R0.113 CCCCNNC(=O)NC(C)CC 512a_100000209981_100025702795 [0,2,0,0,0,0|2,0,0]=4 10032 B12R0.113 CCCCNNC(=O)NC(C)CC 512a_100025702795_100000209981 [0,2,0,0,0,0|2,0,0]=4 10033 B12R0.113 CCCCOCC(=O)CC(=O)CC 1458a_100000757543_100000747405 [0,2,0,0,0,0|2,0,0]=4 10034 B12R0.113 CCCCOCC(=O)CC(C)CC 1458a_100000708755_100011995733 [0,2,0,0,0,0|2,0,0]=4 10035 B12R0.113 CCCCOCC(=O)CC(C)CC 1458a_100000757543_100000748023 [0,2,0,0,0,0|2,0,0]=4 10036 B12R0.113 CCCCOCC(=O)CC(O)CC 1458a_100000757543_100011218378 [0,2,0,0,0,0|2,0,0]=4 10037 B12R0.113 CCCCOCC(=O)CC(O)CC 1458a_100011667805_100011995733 [0,2,0,0,0,0|2,0,0]=4 10038 B12R0.113 CCCCOCC(=O)CN(C)CC 1458a_100116209913_100011995733 [0,2,0,0,0,0|2,0,0]=4 10039 B12R0.113 CCCCOCC(=O)C[C@@H](C)CC 1458a_100000757543_100009816398 [0,2,0,0,0,0|2,0,0]=4 10040 B12R0.113 CCCCOCC(=O)C[C@@H](C)CO 1458a_100000757543_100000059175 [0,2,0,0,0,0|2,0,0]=4 10041 B12R0.113 CCCCOCC(=O)NC(C)CC 11a_100000209981_100000757543 [0,2,0,0,0,0|2,0,0]=4 10042 B12R0.113 CCCCOCC(=O)NC(C)CC 1626a_100000209981_100000757543 [0,2,0,0,0,0|2,0,0]=4 10043 B12R0.113 CCCCOCC(=O)NC(C)CC 240690a_100000209981_100000757543 [0,2,0,0,0,0|2,0,0]=4 10044 B12R0.113 CCCCOCC(=O)NC(C)CC 34a_100000210227_100000182745 [0,2,0,0,0,0|2,0,0]=4 10045 B12R0.113 CCCCOCC(=O)NC(C)CC 527a_100000209981_100000757543 [0,2,0,0,0,0|2,0,0]=4 10046 B12R0.113 CCCCOCC(=O)NC(C)CC 7a_100000210227_100000182745 [0,2,0,0,0,0|2,0,0]=4 10047 B12R0.113 CCCCSCC(=O)CC(=O)CC 1458a_100000191162_100000747405 [0,2,0,0,0,0|2,0,0]=4 10048 B12R0.113 CCCCSCC(=O)CC(C)CC 1458a_100000191162_100000748023 [0,2,0,0,0,0|2,0,0]=4 10049 B12R0.113 CCCCSCC(=O)CC(O)CC 1458a_100000191162_100011218378 [0,2,0,0,0,0|2,0,0]=4 10050 B12R0.113 CCCCSCC(=O)C[C@@H](C)CC 1458a_100000191162_100009816398 [0,2,0,0,0,0|2,0,0]=4 10051 B12R0.113 CCCCSCC(=O)C[C@@H](C)CO 1458a_100000191162_100000059175 [0,2,0,0,0,0|2,0,0]=4 10052 B12R0.113 CCCCSCC(=O)NC(C)CC 11a_100000209981_100000191162 [0,2,0,0,0,0|2,0,0]=4 10053 B12R0.113 CCCCSCC(=O)NC(C)CC 1626a_100000209981_100000191162 [0,2,0,0,0,0|2,0,0]=4 10054 B12R0.113 CCCCSCC(=O)NC(C)CC 240690a_100000209981_100000191162 [0,2,0,0,0,0|2,0,0]=4 10055 B12R0.113 CCCCSCC(=O)NC(C)CC 527a_100000209981_100000191162 [0,2,0,0,0,0|2,0,0]=4 10056 B12R0.113 CCCCSCC(=O)NC(C)CC 62a_100000182745_100000210210 [0,2,0,0,0,0|2,0,0]=4 10057 B12R0.113 CCCCSCC(=O)NC(C)CC 62a_100000210211_100000182745 [0,2,0,0,0,0|2,0,0]=4 10058 B12R0.113 CCCOCCC(=O)CC(C)CC 1458a_100000708755_100011215938 [0,2,0,0,0,0|2,0,0]=4 10059 B12R0.113 CCCOCCC(=O)CC(O)CC 1458a_100011667805_100011215938 [0,2,0,0,0,0|2,0,0]=4 10060 B12R0.113 CCCOCCC(=O)CN(C)CC 1458a_100116209913_100011215938 [0,2,0,0,0,0|2,0,0]=4 10061 B12R0.113 CCN(C)CC(=O)CCCCCF 1458a_100116209913_100000729378 [0,2,0,0,0,0|2,0,0]=4 10062 B12R0.113 CCN(C)CC(=O)CCCCCO 1458a_100116209913_100000746330 [0,2,0,0,0,0|2,0,0]=4 10063 B12R0.113 CCN(C)CC(=O)CCCCOC 1458a_100116209913_100000755781 [0,2,0,0,0,0|2,0,0]=4 10064 B12R0.113 CCN(C)CC(=O)NCCCCO 240690a_100000750430_100116209913 [0,2,0,0,0,0|2,0,0]=4 10065 B12R0.113 CCN(C)CC(=O)NCCCCO 527a_100000750430_100116209913 [0,2,0,0,0,0|2,0,0]=4 10066 B12R0.113 CCN(C)CC(=O)NCCCOC 2230a_100000168148_100000210202 [0,2,0,0,0,0|2,0,0]=4 10067 B12R0.113 CCN(C)CC(=O)NCCCOC 2230a_100000225621_100000183178 [0,2,0,0,0,0|2,0,0]=4 10068 B12R0.113 CCN(C)CC(=O)NCCCOC 240690a_100150723488_100116209913 [0,2,0,0,0,0|2,0,0]=4 10069 B12R0.113 CCN(C)CC(=O)NCCCOC 269982a_100000168148_100000204670 [0,2,0,0,0,0|2,0,0]=4 10070 B12R0.113 CCN(C)CC(=O)NCCCOC 269982a_100000225621_100000183178 [0,2,0,0,0,0|2,0,0]=4 10071 B12R0.113 CCN(C)CC(=O)NCCCOC 527a_100150723488_100116209913 [0,2,0,0,0,0|2,0,0]=4 10072 B12R0.113 CCN(C)CC(=O)NCCCSC 240690a_100000749238_100116209913 [0,2,0,0,0,0|2,0,0]=4 10073 B12R0.113 CCN(C)CC(=O)NCCCSC 527a_100000749238_100116209913 [0,2,0,0,0,0|2,0,0]=4 10074 B12R0.113 CCOCCCC(=O)CC(C)CC 1458a_100000708755_100012232248 [0,2,0,0,0,0|2,0,0]=4 10075 B12R0.113 CCOCCCC(=O)CC(O)CC 1458a_100011667805_100012232248 [0,2,0,0,0,0|2,0,0]=4 10076 B12R0.113 CCOCCCC(=O)CN(C)CC 1458a_100116209913_100012232248 [0,2,0,0,0,0|2,0,0]=4 10077 B12R0.113 CCOCCNC(=O)CC(C)CC 11a_100011200944_100000708755 [0,2,0,0,0,0|2,0,0]=4 10078 B12R0.113 CCOCCNC(=O)CC(C)CC 1626a_102516460346_100000708755 [0,2,0,0,0,0|2,0,0]=4 10079 B12R0.113 CCOCCNC(=O)CC(C)CC 240690a_100011200944_100000708755 [0,2,0,0,0,0|2,0,0]=4 10080 B12R0.113 CCOCCNC(=O)CC(C)CC 527a_100011200944_100000708755 [0,2,0,0,0,0|2,0,0]=4 10081 B12R0.113 CCOCCNC(=O)CC(O)CC 1626a_102516460346_100011667805 [0,2,0,0,0,0|2,0,0]=4 10082 B12R0.113 CCOCCNC(=O)CC(O)CC 240690a_100011200944_100011667805 [0,2,0,0,0,0|2,0,0]=4 10083 B12R0.113 CCOCCNC(=O)CN(C)CC 240690a_100011200944_100116209913 [0,2,0,0,0,0|2,0,0]=4 10084 B12R0.113 CCOCCNC(=O)CN(C)CC 527a_100011200944_100116209913 [0,2,0,0,0,0|2,0,0]=4 10085 B12R0.113 CCOCCNC(=O)NC(C)CC 2708a_100000209981_100011200944 [0,2,0,0,0,0|2,0,0]=4 10086 B12R0.113 CCOCCNC(=O)NC(C)CC 2708a_100011200944_100000209981 [0,2,0,0,0,0|2,0,0]=4 10087 B12R0.113 CCOCCNC(=O)NC(C)CC 273464a_100000209981_102516460346 [0,2,0,0,0,0|2,0,0]=4 10088 B12R0.113 CCOCCNC(=O)NC(C)CC 273464a_102516460346_100000209981 [0,2,0,0,0,0|2,0,0]=4 10089 B12R0.113 CCOCCNC(=O)NC(C)CC 512a_100000209981_100011200944 [0,2,0,0,0,0|2,0,0]=4 10090 B12R0.113 CCOCCNC(=O)NC(C)CC 512a_100011200944_100000209981 [0,2,0,0,0,0|2,0,0]=4 10091 B12R0.113 CCOCCOC(=O)CC(=O)CC 1458a_100000210414_200000101388 [0,2,0,0,0,0|1,0,0]=3 10092 B12R0.113 CCOCCOC(=O)CC(=O)CO 1458a_100000210174_200000101388 [0,2,0,0,0,0|1,0,1]=4 10093 B12R0.113 CCOCCOC(=O)CN(C)CC 2230a_100000225621_200000101388 [0,2,0,0,0,0|1,0,0]=3 10094 B12R0.113 CCOCCOC(=O)CN(C)CC 269982a_100000225621_200000101388 [0,2,0,0,0,0|1,0,0]=3 10095 B12R0.113 CCSCCNC(=O)CC(C)CC 11a_100000106463_100000708755 [0,2,0,0,0,0|2,0,0]=4 10096 B12R0.113 CCSCCNC(=O)CC(C)CC 1626a_100000106463_100000708755 [0,2,0,0,0,0|2,0,0]=4 10097 B12R0.113 CCSCCNC(=O)CC(C)CC 240690a_100000106463_100000708755 [0,2,0,0,0,0|2,0,0]=4 10098 B12R0.113 CCSCCNC(=O)CC(C)CC 527a_100000106463_100000708755 [0,2,0,0,0,0|2,0,0]=4 10099 B12R0.113 CCSCCNC(=O)CC(O)CC 1626a_100000106463_100011667805 [0,2,0,0,0,0|2,0,0]=4 10100 B12R0.113 CCSCCNC(=O)CC(O)CC 240690a_100000106463_100011667805 [0,2,0,0,0,0|2,0,0]=4 10101 B12R0.113 CCSCCNC(=O)CN(C)CC 240690a_100000106463_100116209913 [0,2,0,0,0,0|2,0,0]=4 10102 B12R0.113 CCSCCNC(=O)CN(C)CC 527a_100000106463_100116209913 [0,2,0,0,0,0|2,0,0]=4 10103 B12R0.113 CCSCCNC(=O)NC(C)CC 2708a_100000106463_100000209981 [0,2,0,0,0,0|2,0,0]=4 10104 B12R0.113 CCSCCNC(=O)NC(C)CC 2708a_100000209981_100000106463 [0,2,0,0,0,0|2,0,0]=4 10105 B12R0.113 CCSCCNC(=O)NC(C)CC 273464a_100000106463_100000209981 [0,2,0,0,0,0|2,0,0]=4 10106 B12R0.113 CCSCCNC(=O)NC(C)CC 273464a_100000209981_100000106463 [0,2,0,0,0,0|2,0,0]=4 10107 B12R0.113 CCSCCNC(=O)NC(C)CC 512a_100000106463_100000209981 [0,2,0,0,0,0|2,0,0]=4 10108 B12R0.113 CCSCCNC(=O)NC(C)CC 512a_100000209981_100000106463 [0,2,0,0,0,0|2,0,0]=4 10109 B12R0.113 CC[C@H](C)CC(=O)CCCCCO 1458a_100102619762_100009816398 [0,2,0,0,0,0|2,0,0]=4 10110 B12R0.113 C[C@@H](CO)CC(=O)CCCCCO 1458a_100102619762_100000059175 [0,2,0,0,0,0|2,0,0]=4 10111 B12R0.125 CC(C)(C)CC(=O)CCCCCF 1458a_100000211214_100000729378 [0,2,0,0,0,0|2,0,0]=4 10112 B12R0.125 CC(C)(C)CC(=O)CCCCCO 1458a_100000211214_100000746330 [0,2,0,0,0,0|2,0,0]=4 10113 B12R0.125 CC(C)(C)CC(=O)NCCCCO 240690a_100000750430_100000211214 [0,2,0,0,0,0|2,0,0]=4 10114 B12R0.125 CC(C)(C)CC(=O)NCCCCO 527a_100000750430_100000211214 [0,2,0,0,0,0|2,0,0]=4 10115 B12R0.125 CC(C)(C)CC(=O)OCNCCF 34a_100000724931_200010999194 [0,2,0,0,0,0|2,0,0]=4 10116 B12R0.125 CC(C)(C)CC(=O)OCNCCO 2230a_100016997473_200010999194 [0,2,0,0,0,0|2,0,0]=4 10117 B12R0.125 CC(C)(C)CC(=O)OCNCCO 34a_100016990907_200010999194 [0,2,0,0,0,0|2,0,0]=4 10118 B12R0.125 CC(C)(C)CC(=O)OCOCCBr 34a_100000211926_200010999194 [0,2,0,0,0,0|2,0,0]=4 10119 B12R0.125 CC(C)(C)CC(=O)OCOCCN 34a_100000210304_200010999194 [0,2,0,0,0,0|2,0,0]=4 10120 B12R0.125 CC(C)(C)CC(=O)OCSCCF 62a_100011217306_200010999194 [0,2,0,0,0,0|2,0,0]=4 10121 B12R0.125 CC(C)(C)CC(=O)OCSCCF 62a_200010999194_100011217306 [0,2,0,0,0,0|2,0,0]=4 10122 B12R0.125 CC(C)(C)CC(=O)OCSCCO 62a_100000211926_200010999194 [0,2,0,0,0,0|2,0,0]=4 10123 B12R0.125 CC(C)(C)CC(=O)OCSCCO 62a_200010999194_100000211926 [0,2,0,0,0,0|2,0,0]=4 10124 B12R0.125 CC(C)(O)CC(=O)CCCCCF 1458a_100000693243_100000729378 [0,2,0,0,0,0|2,0,0]=4 10125 B12R0.125 CC(C)(O)CC(=O)CCCCCO 1458a_100000693243_100000746330 [0,2,0,0,0,0|2,0,0]=4 10126 B12R0.125 CC(C)(O)CC(=O)NCCCCO 527a_100000750430_100000693243 [0,2,0,0,0,0|2,0,0]=4 10127 B12R0.125 CCCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210757 [0,2,0,0,0,0|1,0,0]=3 10128 B12R0.125 CCCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210757 [0,2,0,0,0,0|1,0,0]=3 10129 B12R0.125 CCCCCCC(=O)CC(F)(F)F 1458a_100000245130_100000210757 [0,2,0,0,0,0|2,0,0]=4 10130 B12R0.125 CCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210757 [0,2,0,0,0,0|2,0,0]=4 10131 B12R0.125 CCCCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210757 [0,2,0,0,0,0|2,0,0]=4 10132 B12R0.125 CCCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210757 [0,2,0,0,0,0|1,1,0]=4 10133 B12R0.125 CCCCCCC(=O)C[Si](C)(C)C 1458a_100102632555_100000233785 [0,2,0,0,0,0|1,1,0]=4 10134 B12R0.125 CCCCCCC(=O)NC(C)(C)C 11a_100000715429_100102632555 [0,2,0,0,0,0|2,0,0]=4 10135 B12R0.125 CCCCCCC(=O)NC(C)(C)C 1626a_100000715429_100102632555 [0,2,0,0,0,0|2,0,0]=4 10136 B12R0.125 CCCCCCC(=O)NC(C)(C)C 240690a_100000715429_100102632555 [0,2,0,0,0,0|2,0,0]=4 10137 B12R0.125 CCCCCCC(=O)NC(C)(C)C 527a_100000715429_100102632555 [0,2,0,0,0,0|2,0,0]=4 10138 B12R0.125 CCCCCNC(=O)CC(C)(C)C 11a_100000209983_100000211214 [0,2,0,0,0,0|1,0,0]=3 10139 B12R0.125 CCCCCNC(=O)CC(C)(C)C 1626a_100000209983_100000211214 [0,2,0,0,0,0|1,0,0]=3 10140 B12R0.125 CCCCCNC(=O)CC(C)(C)C 240690a_100000209983_100000211214 [0,2,0,0,0,0|1,0,0]=3 10141 B12R0.125 CCCCCNC(=O)CC(C)(C)C 527a_100000209983_100000211214 [0,2,0,0,0,0|1,0,0]=3 10142 B12R0.125 CCCCCNC(=O)CC(C)(C)O 527a_100000209983_100000693243 [0,2,0,0,0,0|1,0,0]=3 10143 B12R0.125 CCCCCNC(=O)CC(F)(F)F 11a_100000209983_100000245130 [0,2,0,0,0,0|2,0,0]=4 10144 B12R0.125 CCCCCNC(=O)CC(F)(F)F 1626a_100000209983_100000245130 [0,2,0,0,0,0|2,0,0]=4 10145 B12R0.125 CCCCCNC(=O)CC(F)(F)F 527a_100000209983_100000245130 [0,2,0,0,0,0|2,0,0]=4 10146 B12R0.125 CCCCCNC(=O)CS(=O)(=O)C 11a_100000209983_100000744497 [0,2,0,0,0,0|2,0,0]=4 10147 B12R0.125 CCCCCNC(=O)CS(=O)(=O)C 240690a_100000209983_100000744497 [0,2,0,0,0,0|2,0,0]=4 10148 B12R0.125 CCCCCNC(=O)CS(=O)(=O)C 527a_100000209983_100000744497 [0,2,0,0,0,0|2,0,0]=4 10149 B12R0.125 CCCCCNC(=O)C[N+](C)(C)C 11a_100000209983_100000033712 [0,2,0,0,0,0|2,0,0]=4 10150 B12R0.125 CCCCCNC(=O)C[N+](C)(C)C 1626a_100000209983_100000033712 [0,2,0,0,0,0|2,0,0]=4 10151 B12R0.125 CCCCCNC(=O)C[N+](C)(C)C 240690a_100000209983_100000033712 [0,2,0,0,0,0|2,0,0]=4 10152 B12R0.125 CCCCCNC(=O)C[N+](C)(C)C 527a_100000209983_100000033712 [0,2,0,0,0,0|2,0,0]=4 10153 B12R0.125 CCCCCNC(=O)C[Si](C)(C)C 11a_100000209983_100011218504 [0,2,0,0,0,0|1,1,0]=4 10154 B12R0.125 CCCCCNC(=O)C[Si](C)(C)C 1626a_100000209983_100011218504 [0,2,0,0,0,0|1,1,0]=4 10155 B12R0.125 CCCCCNC(=O)NC(C)(C)C 2708a_100000209983_100000715429 [0,2,0,0,0,0|2,0,0]=4 10156 B12R0.125 CCCCCNC(=O)NC(C)(C)C 273464a_100000209983_100000715429 [0,2,0,0,0,0|2,0,0]=4 10157 B12R0.125 CCCCCNC(=O)NC(C)(C)C 273464a_100000715429_100000209983 [0,2,0,0,0,0|2,0,0]=4 10158 B12R0.125 CCCCCNC(=O)NC(C)(C)C 512a_100000715429_100000209983 [0,2,0,0,0,0|2,0,0]=4 10159 B12R0.125 CCCCCOC(C)CC(C)(C)C 7a_200011218616_100000210326 [0,2,0,0,0,0|1,0,1]=4 10160 B12R0.125 CCCCNNC(=O)CC(C)(C)C 22a_100025702795_100000211214 [0,2,0,0,0,0|2,0,0]=4 10161 B12R0.125 CCCCNNC(=O)CC(C)(C)O 22a_100025702795_100000693243 [0,2,0,0,0,0|2,0,0]=4 10162 B12R0.125 CCCCOCC(=O)CC(C)(C)C 1458a_100000211214_100011995733 [0,2,0,0,0,0|2,0,0]=4 10163 B12R0.125 CCCCOCC(=O)CC(C)(C)O 1458a_100000693243_100011995733 [0,2,0,0,0,0|2,0,0]=4 10164 B12R0.125 CCCOCCC(=O)CC(C)(C)C 1458a_100000211214_100011215938 [0,2,0,0,0,0|2,0,0]=4 10165 B12R0.125 CCCOCCC(=O)CC(C)(C)O 1458a_100000693243_100011215938 [0,2,0,0,0,0|2,0,0]=4 10166 B12R0.125 CCCOCOC(=O)CC(C)(C)C 34a_100000210258_200010999194 [0,2,0,0,0,0|1,0,0]=3 10167 B12R0.125 CCCSCOC(=O)CC(C)(C)C 62a_100000210303_200010999194 [0,2,0,0,0,0|1,0,0]=3 10168 B12R0.125 CCCSCOC(=O)CC(C)(C)C 62a_200010999194_100000210303 [0,2,0,0,0,0|1,0,0]=3 10169 B12R0.125 CCOCCCC(=O)CC(C)(C)C 1458a_100000211214_100012232248 [0,2,0,0,0,0|2,0,0]=4 10170 B12R0.125 CCOCCCC(=O)CC(C)(C)O 1458a_100000693243_100012232248 [0,2,0,0,0,0|2,0,0]=4 10171 B12R0.125 CCOCCNC(=O)CC(C)(C)C 11a_100011200944_100000211214 [0,2,0,0,0,0|2,0,0]=4 10172 B12R0.125 CCOCCNC(=O)CC(C)(C)C 1626a_102516460346_100000211214 [0,2,0,0,0,0|2,0,0]=4 10173 B12R0.125 CCOCCNC(=O)CC(C)(C)C 240690a_100011200944_100000211214 [0,2,0,0,0,0|2,0,0]=4 10174 B12R0.125 CCOCCNC(=O)CC(C)(C)C 527a_100011200944_100000211214 [0,2,0,0,0,0|2,0,0]=4 10175 B12R0.125 CCOCCNC(=O)CC(C)(C)O 527a_100011200944_100000693243 [0,2,0,0,0,0|2,0,0]=4 10176 B12R0.125 CCSCCNC(=O)CC(C)(C)C 11a_100000106463_100000211214 [0,2,0,0,0,0|2,0,0]=4 10177 B12R0.125 CCSCCNC(=O)CC(C)(C)C 1626a_100000106463_100000211214 [0,2,0,0,0,0|2,0,0]=4 10178 B12R0.125 CCSCCNC(=O)CC(C)(C)C 240690a_100000106463_100000211214 [0,2,0,0,0,0|2,0,0]=4 10179 B12R0.125 CCSCCNC(=O)CC(C)(C)C 527a_100000106463_100000211214 [0,2,0,0,0,0|2,0,0]=4 10180 B12R0.125 CCSCCNC(=O)CC(C)(C)O 527a_100000106463_100000693243 [0,2,0,0,0,0|2,0,0]=4 10181 B12R0.125 COCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000755781 [0,2,0,0,0,0|2,0,0]=4 10182 B12R0.125 COCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000755781 [0,2,0,0,0,0|2,0,0]=4 10183 B12R0.125 COCCCNC(=O)CC(C)(C)C 1626a_100150723488_100000211214 [0,2,0,0,0,0|2,0,0]=4 10184 B12R0.125 COCCCNC(=O)CC(C)(C)C 240690a_100150723488_100000211214 [0,2,0,0,0,0|2,0,0]=4 10185 B12R0.125 COCCCNC(=O)CC(C)(C)C 527a_100150723488_100000211214 [0,2,0,0,0,0|2,0,0]=4 10186 B12R0.125 COCCCNC(=O)CC(C)(C)O 527a_100150723488_100000693243 [0,2,0,0,0,0|2,0,0]=4 10187 B12R0.125 COCSCOC(=O)CC(C)(C)C 62a_100000766300_200010999194 [0,2,0,0,0,0|2,0,0]=4 10188 B12R0.125 COCSCOC(=O)CC(C)(C)C 62a_200010999194_100000766300 [0,2,0,0,0,0|2,0,0]=4 10189 B12R0.125 CSCCCNC(=O)CC(C)(C)C 11a_100000749238_100000211214 [0,2,0,0,0,0|2,0,0]=4 10190 B12R0.125 CSCCCNC(=O)CC(C)(C)C 1626a_100000749238_100000211214 [0,2,0,0,0,0|2,0,0]=4 10191 B12R0.125 CSCCCNC(=O)CC(C)(C)C 240690a_100000749238_100000211214 [0,2,0,0,0,0|2,0,0]=4 10192 B12R0.125 CSCCCNC(=O)CC(C)(C)C 527a_100000749238_100000211214 [0,2,0,0,0,0|2,0,0]=4 10193 B12R0.125 CSCCCNC(=O)CC(C)(C)O 527a_100000749238_100000693243 [0,2,0,0,0,0|2,0,0]=4 10194 B12R0.125 CSCSCOC(=O)CC(C)(C)C 62a_100011218213_200010999194 [0,2,0,0,0,0|2,0,0]=4 10195 B12R0.125 CSCSCOC(=O)CC(C)(C)C 62a_200010999194_100011218213 [0,2,0,0,0,0|2,0,0]=4 10196 B12R0.141 C=C(C)CC(=O)C(C)CCCCC 1458a_100011215998_100000748629 [0,2,0,0,0,0|1,0,1]=4 10197 B12R0.141 CC(C)CC(=O)N(C)CCCCO 240690a_100000717598_100000210554 [0,2,0,0,0,0|2,0,0]=4 10198 B12R0.141 CCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210326 [0,2,0,0,0,0|2,0,0]=4 10199 B12R0.141 CCCCCC(C)C(=O)CC(C)C 1458a_100000210554_200011218191 [0,2,0,0,0,0|1,0,0]=3 10200 B12R0.141 CCCCCC(C)C(=O)CC(C)C 1458a_100011215998_100000210624 [0,2,0,0,0,0|1,0,0]=3 10201 B12R0.141 CCCCCC(C)C(=O)CC(C)O 1458a_100011215998_100011218427 [0,2,0,0,0,0|1,0,0]=3 10202 B12R0.141 CCCCCC(C)C(=O)CC(F)F 1458a_100011215998_100011934356 [0,2,0,0,0,0|2,0,0]=4 10203 B12R0.141 CCCCCC(C)C(=O)CN(C)C 1458a_100000750896_200011218191 [0,2,0,0,0,0|2,0,0]=4 10204 B12R0.141 CCCCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200011218191 [0,2,0,0,0,0|1,0,0]=3 10205 B12R0.141 CCCCCC(C)C(=O)C[S+](C)C 1458a_200159257847_200011218191 [0,2,0,0,0,0|2,0,0]=4 10206 B12R0.141 CCCCCC(C)C(=O)NC(C)C 11a_100138425928_100011215998 [0,2,0,0,0,0|2,0,0]=4 10207 B12R0.141 CCCCCC(C)C(=O)NC(C)C 1626a_100138425928_100011215998 [0,2,0,0,0,0|2,0,0]=4 10208 B12R0.141 CCCCCC(C)C(=O)NC(C)C 240690a_100138425928_100011215998 [0,2,0,0,0,0|2,0,0]=4 10209 B12R0.141 CCCCCC(C)C(=O)NC(C)C 527a_100138425928_100011215998 [0,2,0,0,0,0|2,0,0]=4 10210 B12R0.141 CCCCCN(C)C(=O)CC(C)C 11a_100000223495_100000210554 [0,2,0,0,0,0|1,0,0]=3 10211 B12R0.141 CCCCCN(C)C(=O)CC(C)C 1626a_100000223495_100000210554 [0,2,0,0,0,0|1,0,0]=3 10212 B12R0.141 CCCCCN(C)C(=O)CC(C)C 240690a_100000223495_100000210554 [0,2,0,0,0,0|1,0,0]=3 10213 B12R0.141 CCCCCN(C)C(=O)CC(C)C 527a_100000223495_100000210554 [0,2,0,0,0,0|1,0,0]=3 10214 B12R0.141 CCCCCN(C)C(=O)CN(C)C 11a_100000223495_100000750896 [0,2,0,0,0,0|2,0,0]=4 10215 B12R0.141 CCCCCN(C)C(=O)CN(C)C 240690a_100000223495_100000750896 [0,2,0,0,0,0|2,0,0]=4 10216 B12R0.141 CCCCCN(C)C(=O)CN(C)C 527a_100000223495_100000750896 [0,2,0,0,0,0|2,0,0]=4 10217 B12R0.141 CCCCCN(C)C(=O)C[C@@H](C)O 240690a_100000223495_100011933948 [0,2,0,0,0,0|1,0,0]=3 10218 B12R0.141 CCCCCN(C)C(=O)C[S+](C)C 11a_100000223495_200159257847 [0,2,0,0,0,0|2,0,0]=4 10219 B12R0.141 CCCCCN(C)C(=O)C[S+](C)C 1626a_100000223495_200159257847 [0,2,0,0,0,0|2,0,0]=4 10220 B12R0.141 CCCCCN(C)C(=O)C[S+](C)C 240690a_100000223495_200159257847 [0,2,0,0,0,0|2,0,0]=4 10221 B12R0.141 CCCCCN(C)C(=O)C[S+](C)C 527a_100000223495_200159257847 [0,2,0,0,0,0|2,0,0]=4 10222 B12R0.141 CCCCCN(C)C(=O)NC(C)C 2708a_100138425928_100000223495 [0,2,0,0,0,0|2,0,0]=4 10223 B12R0.141 CCCCCN(C)C(=O)NC(C)C 273464a_100138425928_100000223495 [0,2,0,0,0,0|2,0,0]=4 10224 B12R0.141 CCCCSC(C)C(=O)CC(C)C 1458a_100000191163_100000210624 [0,2,0,0,0,0|2,0,0]=4 10225 B12R0.141 CCCCSC(C)C(=O)CC(C)O 1458a_100000191163_100011218427 [0,2,0,0,0,0|2,0,0]=4 10226 B12R0.141 COCCCN(C)C(=O)CC(C)C 11a_100000224831_100000210554 [0,2,0,0,0,0|2,0,0]=4 10227 B12R0.141 COCCCN(C)C(=O)CC(C)C 1626a_100000224831_100000210554 [0,2,0,0,0,0|2,0,0]=4 10228 B12R0.141 COCCCN(C)C(=O)CC(C)C 240690a_100000224831_100000210554 [0,2,0,0,0,0|2,0,0]=4 10229 B12R0.141 COCCCN(C)C(=O)CC(C)C 527a_100000224831_100000210554 [0,2,0,0,0,0|2,0,0]=4 10230 B12R0.141 COCCCN(C)C(=O)C[C@@H](C)O 240690a_100000224831_100011933948 [0,2,0,0,0,0|2,0,0]=4 10231 B12R0.141 C[C@@H](O)CC(=O)N(C)CCCCO 240690a_100000717598_100011933948 [0,2,0,0,0,0|2,0,0]=4 10232 B12R0.202 C#CC(CC(C)C)OCCCCC 34a_100011215986_100000718602 [0,2,0,0,0,0|1,0,1]=4 10233 B12R0.202 C#CC(CC(C)C)OCCCCC 7a_100011215986_100000210326 [0,2,0,0,0,0|1,0,1]=4 10234 B12R0.202 C=CC(CC(C)C)OCCCCC 34a_100012186643_100000718602 [0,2,0,0,0,0|1,0,1]=4 10235 B12R0.202 C=CC(CC(C)C)OCCCCC 7a_100012186643_100000210326 [0,2,0,0,0,0|1,0,1]=4 10236 B12R0.202 CCCCCOC(C#N)CC(C)C 34a_200011294978_100000718602 [0,2,0,0,0,0|1,0,1]=4 10237 B12R0.202 CCCCCOC(C#N)CC(C)C 7a_200011294978_100000210326 [0,2,0,0,0,0|1,0,1]=4 10238 B12R0.241 CC(C)CC(=O)NCCC(C)CO 240690a_106354213184_100000210554 [0,2,0,0,0,0|2,0,0]=4 10239 B12R0.241 CC(C)CC(=O)NCCC(C)CO 527a_106354213184_100000210554 [0,2,0,0,0,0|2,0,0]=4 10240 B12R0.241 CC(CO)CCNC(=O)C[C@@H](C)O 240690a_106354213184_100011933948 [0,2,0,0,0,0|2,0,0]=4 10241 B12R0.241 CCC(=O)CCOC(=O)CC(=O)C 1458a_100000210414_100000102702 [0,2,0,0,0,0|0,0,2]=4 10242 B12R0.241 CCC(C)CCNC(=O)CC(C)C 11a_100020591266_100000210554 [0,2,0,0,0,0|1,0,0]=3 10243 B12R0.241 CCC(C)CCNC(=O)CC(C)C 1626a_100020591266_100000210554 [0,2,0,0,0,0|1,0,0]=3 10244 B12R0.241 CCC(C)CCNC(=O)CC(C)C 240690a_100020591266_100000210554 [0,2,0,0,0,0|1,0,0]=3 10245 B12R0.241 CCC(C)CCNC(=O)CC(C)C 527a_100020591266_100000210554 [0,2,0,0,0,0|1,0,0]=3 10246 B12R0.241 CCC(C)CCNC(=O)CN(C)C 11a_100020591266_100000750896 [0,2,0,0,0,0|2,0,0]=4 10247 B12R0.241 CCC(C)CCNC(=O)CN(C)C 240690a_100020591266_100000750896 [0,2,0,0,0,0|2,0,0]=4 10248 B12R0.241 CCC(C)CCNC(=O)CN(C)C 527a_100020591266_100000750896 [0,2,0,0,0,0|2,0,0]=4 10249 B12R0.241 CCC(C)CCNC(=O)C[C@@H](C)O 240690a_100020591266_100011933948 [0,2,0,0,0,0|1,0,0]=3 10250 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 11a_100020591266_200159257847 [0,2,0,0,0,0|2,0,0]=4 10251 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 1626a_100020591266_200159257847 [0,2,0,0,0,0|2,0,0]=4 10252 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 240690a_100020591266_200159257847 [0,2,0,0,0,0|2,0,0]=4 10253 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 527a_100020591266_200159257847 [0,2,0,0,0,0|2,0,0]=4 10254 B12R0.241 CCC(C)CCNC(=O)NC(C)C 2708a_100020591266_100138425928 [0,2,0,0,0,0|2,0,0]=4 10255 B12R0.241 CCC(C)CCNC(=O)NC(C)C 2708a_100138425928_100020591266 [0,2,0,0,0,0|2,0,0]=4 10256 B12R0.241 CCC(C)CCNC(=O)NC(C)C 273464a_100138425928_100020591266 [0,2,0,0,0,0|2,0,0]=4 10257 B12R0.241 CCC(C)CCNC(=O)NC(C)C 512a_100020591266_100138425928 [0,2,0,0,0,0|2,0,0]=4 10258 B12R0.241 CCC(C)CCNC(=O)NC(C)C 512a_100138425928_100020591266 [0,2,0,0,0,0|2,0,0]=4 10259 B12R0.241 CCC(C)CCOC(C)CC(C)C 7a_100011215188_100000731052 [0,2,0,0,0,0|1,0,1]=4 10260 B12R0.241 CCC(C)SCOC(=O)OC(C)C 62a_100000003507_100000758301 [0,2,0,0,0,0|2,0,0]=4 10261 B12R0.241 CCC(C)SCOC(=O)OC(C)C 62a_100000758301_100000003507 [0,2,0,0,0,0|2,0,0]=4 10262 B12R0.241 CCC(O)CNNC(=O)CC(C)C 22a_100015206393_100000210554 [0,2,0,0,0,0|2,0,0]=4 10263 B12R0.241 CCC(O)CNNC(=O)C[C@@H](C)O 22a_100015206393_100011933948 [0,2,0,0,0,0|2,0,0]=4 10264 B12R0.241 CCN(C)CCCC(=O)CC(C)C 1458a_100000210554_100015186262 [0,2,0,0,0,0|2,0,0]=4 10265 B12R0.241 CCN(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100015186262 [0,2,0,0,0,0|2,0,0]=4 10266 B12R0.241 CCN(C)CCOC(=O)CC(=O)C 269982a_100000225621_100000102702 [0,2,0,0,0,0|1,0,1]=4 10267 B12R0.270 C=C(C)CC(=O)CCCCC(C)C 1458a_100011933920_100000748629 [0,2,0,0,0,0|1,0,1]=4 10268 B12R0.270 CC(=O)CC(=O)OCCNC(C)C 34a_100138425928_100000102702 [0,2,0,0,0,0|1,0,1]=4 10269 B12R0.270 CC(=O)CC(=O)OCCOC(C)C 34a_100000212225_100000102702 [0,2,0,0,0,0|1,0,1]=4 10270 B12R0.270 CC(=O)CC(=O)OCCSC(C)C 62a_100000102702_100000210206 [0,2,0,0,0,0|1,0,1]=4 10271 B12R0.270 CC(=O)CC(=O)OCCSC(C)C 62a_100000210206_100000102702 [0,2,0,0,0,0|1,0,1]=4 10272 B12R0.270 CC(=O)CCCCC(=O)CC(C)C 1458a_100000210554_100000735457 [0,2,0,0,0,0|1,0,1]=4 10273 B12R0.270 CC(=O)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000735457 [0,2,0,0,0,0|1,0,1]=4 10274 B12R0.270 CC(C)CC(=O)NCCCN(C)C 240690a_102531767803_100000210554 [0,2,0,0,0,0|2,0,0]=4 10275 B12R0.270 CC(C)CC(=O)NCCCN(C)C 527a_102531767803_100000210554 [0,2,0,0,0,0|2,0,0]=4 10276 B12R0.270 CC(C)CC(=O)NCCCS(=O)C 11a_200000753449_100000210554 [0,2,0,0,0,0|2,0,0]=4 10277 B12R0.270 CC(C)CC(=O)NCCCS(=O)C 240690a_200000753449_100000210554 [0,2,0,0,0,0|2,0,0]=4 10278 B12R0.270 CC(C)CC(=O)NCCCS(=O)C 527a_200000753449_100000210554 [0,2,0,0,0,0|2,0,0]=4 10279 B12R0.270 CC(C)CC(=O)NCCOC(C)C 11a_100000701111_100000210554 [0,2,0,0,0,0|2,0,0]=4 10280 B12R0.270 CC(C)CC(=O)NCCOC(C)C 1626a_100000701111_100000210554 [0,2,0,0,0,0|2,0,0]=4 10281 B12R0.270 CC(C)CC(=O)NCCOC(C)C 240690a_100000701111_100000210554 [0,2,0,0,0,0|2,0,0]=4 10282 B12R0.270 CC(C)CC(=O)NCCOC(C)C 527a_100000701111_100000210554 [0,2,0,0,0,0|2,0,0]=4 10283 B12R0.270 CC(C)CC(=O)NCCSC(C)C 11a_100000731138_100000210554 [0,2,0,0,0,0|2,0,0]=4 10284 B12R0.270 CC(C)CC(=O)NCCSC(C)C 1626a_100000731138_100000210554 [0,2,0,0,0,0|2,0,0]=4 10285 B12R0.270 CC(C)CC(=O)NCCSC(C)C 240690a_100000731138_100000210554 [0,2,0,0,0,0|2,0,0]=4 10286 B12R0.270 CC(C)CC(=O)NCCSC(C)C 527a_100000731138_100000210554 [0,2,0,0,0,0|2,0,0]=4 10287 B12R0.270 CC(C)CC(C)OCCCC(C)O 34a_100000211805_200000718107 [0,2,0,0,0,0|1,0,1]=4 10288 B12R0.270 CC(C)CC(C)OCCCC(C)O 7a_100000211805_200000718107 [0,2,0,0,0,0|1,0,1]=4 10289 B12R0.270 CC(C)CCCCC(=O)CC(C)C 1458a_100000210554_100011216152 [0,2,0,0,0,0|1,0,0]=3 10290 B12R0.270 CC(C)CCCCC(=O)CC(C)C 1458a_100011933920_100000210624 [0,2,0,0,0,0|1,0,0]=3 10291 B12R0.270 CC(C)CCCCC(=O)CC(C)O 1458a_100011933920_100011218427 [0,2,0,0,0,0|1,0,0]=3 10292 B12R0.270 CC(C)CCCCC(=O)CC(F)F 1458a_100011933920_100011934356 [0,2,0,0,0,0|2,0,0]=4 10293 B12R0.270 CC(C)CCCCC(=O)CN(C)C 1458a_100000750896_100011216152 [0,2,0,0,0,0|2,0,0]=4 10294 B12R0.270 CC(C)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011216152 [0,2,0,0,0,0|1,0,0]=3 10295 B12R0.270 CC(C)CCCCC(=O)C[S+](C)C 1458a_200159257847_100011216152 [0,2,0,0,0,0|2,0,0]=4 10296 B12R0.270 CC(C)CCCCC(=O)NC(C)C 11a_100138425928_100011933920 [0,2,0,0,0,0|2,0,0]=4 10297 B12R0.270 CC(C)CCCCC(=O)NC(C)C 1626a_100138425928_100011933920 [0,2,0,0,0,0|2,0,0]=4 10298 B12R0.270 CC(C)CCCCC(=O)NC(C)C 240690a_100138425928_100011933920 [0,2,0,0,0,0|2,0,0]=4 10299 B12R0.270 CC(C)CCCCC(=O)NC(C)C 527a_100138425928_100011933920 [0,2,0,0,0,0|2,0,0]=4 10300 B12R0.270 CC(C)CCCNC(=O)CC(C)C 11a_200000737386_100000210554 [0,2,0,0,0,0|1,0,0]=3 10301 B12R0.270 CC(C)CCCNC(=O)CC(C)C 1626a_200000737386_100000210554 [0,2,0,0,0,0|1,0,0]=3 10302 B12R0.270 CC(C)CCCNC(=O)CC(C)C 240690a_200000737386_100000210554 [0,2,0,0,0,0|1,0,0]=3 10303 B12R0.270 CC(C)CCCNC(=O)CC(C)C 527a_200000737386_100000210554 [0,2,0,0,0,0|1,0,0]=3 10304 B12R0.270 CC(C)CCCNC(=O)CN(C)C 11a_200000737386_100000750896 [0,2,0,0,0,0|2,0,0]=4 10305 B12R0.270 CC(C)CCCNC(=O)CN(C)C 240690a_200000737386_100000750896 [0,2,0,0,0,0|2,0,0]=4 10306 B12R0.270 CC(C)CCCNC(=O)CN(C)C 527a_200000737386_100000750896 [0,2,0,0,0,0|2,0,0]=4 10307 B12R0.270 CC(C)CCCNC(=O)C[C@@H](C)O 240690a_200000737386_100011933948 [0,2,0,0,0,0|1,0,0]=3 10308 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 11a_200000737386_200159257847 [0,2,0,0,0,0|2,0,0]=4 10309 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 1626a_200000737386_200159257847 [0,2,0,0,0,0|2,0,0]=4 10310 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 240690a_200000737386_200159257847 [0,2,0,0,0,0|2,0,0]=4 10311 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 527a_200000737386_200159257847 [0,2,0,0,0,0|2,0,0]=4 10312 B12R0.270 CC(C)CCCNC(=O)NC(C)C 2708a_100138425928_200000737386 [0,2,0,0,0,0|2,0,0]=4 10313 B12R0.270 CC(C)CCCNC(=O)NC(C)C 2708a_200000737386_100138425928 [0,2,0,0,0,0|2,0,0]=4 10314 B12R0.270 CC(C)CCCNC(=O)NC(C)C 273464a_100138425928_200000737386 [0,2,0,0,0,0|2,0,0]=4 10315 B12R0.270 CC(C)CCCNC(=O)NC(C)C 512a_100138425928_200000737386 [0,2,0,0,0,0|2,0,0]=4 10316 B12R0.270 CC(C)CCCNC(=O)NC(C)C 512a_200000737386_100138425928 [0,2,0,0,0,0|2,0,0]=4 10317 B12R0.270 CC(C)CCCOC(C)CC(C)C 34a_100000210774_100000731052 [0,2,0,0,0,0|1,0,1]=4 10318 B12R0.270 CC(C)CCCOC(C)CC(C)C 34a_100000211805_100011214892 [0,2,0,0,0,0|1,0,1]=4 10319 B12R0.270 CC(C)CCCOC(C)CC(C)C 7a_100000210774_100000731052 [0,2,0,0,0,0|1,0,1]=4 10320 B12R0.270 CC(C)CCCOC(C)CC(C)C 7a_100000211805_100011214892 [0,2,0,0,0,0|1,0,1]=4 10321 B12R0.270 CC(C)CSCOC(=O)OC(C)C 62a_100000003507_100000210760 [0,2,0,0,0,0|2,0,0]=4 10322 B12R0.270 CC(C)CSCOC(=O)OC(C)C 62a_100000210624_100000003507 [0,2,0,0,0,0|2,0,0]=4 10323 B12R0.270 CC(C)OC(=O)OCSC[C@@H](C)O 62a_100000003507_100009817552 [0,2,0,0,0,0|2,0,0]=4 10324 B12R0.270 CC(C)OC(=O)OCSC[C@@H](C)O 62a_100009817552_100000003507 [0,2,0,0,0,0|2,0,0]=4 10325 B12R0.270 CC(C)OCCNC(=O)C[C@@H](C)O 240690a_100000701111_100011933948 [0,2,0,0,0,0|2,0,0]=4 10326 B12R0.270 CC(C)SCCNC(=O)C[C@@H](C)O 240690a_100000731138_100011933948 [0,2,0,0,0,0|2,0,0]=4 10327 B12R0.270 CC(O)CSCOC(=O)OC(C)C 62a_100000003507_100011218427 [0,2,0,0,0,0|2,0,0]=4 10328 B12R0.270 CC(O)CSCOC(=O)OC(C)C 62a_100011218427_100000003507 [0,2,0,0,0,0|2,0,0]=4 10329 B12R0.270 C[C@@H](O)CC(=O)NCCCN(C)C 240690a_102531767803_100011933948 [0,2,0,0,0,0|2,0,0]=4 10330 B12R0.270 C[C@@H](O)CC(=O)NCCCS(=O)C 240690a_200000753449_100011933948 [0,2,0,0,0,0|2,0,0]=4 10331 B12R0.272 C=C(C)CN(C)COC(=O)CCC 2230a_100000225649_100000034017 [0,2,0,0,0,0|1,0,1]=4 10332 B12R0.272 C=C(C)CN(C)COC(=O)CCC 269982a_100000225649_100000034017 [0,2,0,0,0,0|1,0,1]=4 10333 B12R0.272 CCCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100000210303 [0,2,0,0,0,0|1,0,1]=4 10334 B12R0.272 CCCC(=O)CNC(C)CC(C)C 2230a_100000692259_100000747444 [0,2,0,0,0,0|2,0,0]=4 10335 B12R0.272 CCCC(=O)COC(=O)OC(C)C 1458a_100000211992_100000003507 [0,2,0,0,0,0|1,0,1]=4 10336 B12R0.272 CCCC(=O)COC(C)CC(C)C 7a_100000211805_100000747444 [0,2,0,0,0,0|2,0,0]=4 10337 B12R0.272 CCCC(=O)CSC(C)CC(C)C 62a_100000731052_100000747444 [0,2,0,0,0,0|2,0,0]=4 10338 B12R0.272 CCCC(=O)CSC(C)CC(C)C 62a_100000747444_100000731052 [0,2,0,0,0,0|2,0,0]=4 10339 B12R0.272 CCCC(=O)NCC(O)CN(C)C 240690a_100000737402_100000211992 [0,2,0,0,0,0|2,0,0]=4 10340 B12R0.272 CCCC(=O)NCC(O)CN(C)C 527a_100000737402_100000211992 [0,2,0,0,0,0|2,0,0]=4 10341 B12R0.272 CCCC(=O)OCC(=O)CC(C)C 1458a_100000210554_100000034017 [0,2,0,0,0,0|0,0,1]=3 10342 B12R0.272 CCCC(=O)OCC(=O)CN(C)C 1458a_100000750896_100000034017 [0,2,0,0,0,0|1,0,1]=4 10343 B12R0.272 CCCC(=O)OCC(=O)C[C@@H](C)O 1458a_100011933948_100000034017 [0,2,0,0,0,0|0,0,1]=3 10344 B12R0.272 CCCC(=O)OCC(=O)C[S+](C)C 1458a_200159257847_100000034017 [0,2,0,0,0,0|1,0,1]=4 10345 B12R0.272 CCCC(=O)OCN(C)CC(C)C 2230a_100000747067_100000034017 [0,2,0,0,0,0|1,0,0]=3 10346 B12R0.272 CCCC(=O)OCN(C)CC(C)C 269982a_100000747067_100000034017 [0,2,0,0,0,0|1,0,0]=3 10347 B12R0.272 CCCC(=O)OCN(C)CC(C)O 2230a_100000227577_100000034017 [0,2,0,0,0,0|1,0,0]=3 10348 B12R0.272 CCCC(=O)OCN(C)CC(C)O 269982a_100000227577_100000034017 [0,2,0,0,0,0|1,0,0]=3 10349 B12R0.272 CCCC(C)COC(C)CC(C)C 34a_100000211805_100011216630 [0,2,0,0,0,0|1,0,1]=4 10350 B12R0.272 CCCC(C)COC(C)CC(C)C 34a_100000688023_100000731052 [0,2,0,0,0,0|1,0,1]=4 10351 B12R0.272 CCCC(C)COC(C)CC(C)C 7a_100000211805_100011216630 [0,2,0,0,0,0|1,0,1]=4 10352 B12R0.272 CCCC(C)COC(C)CC(C)C 7a_100000688023_100000731052 [0,2,0,0,0,0|1,0,1]=4 10353 B12R0.272 CCCC(C)OC[C@@H](N)CC(C)C 34a_100011830311_100000766640 [0,2,0,0,0,0|1,0,1]=4 10354 B12R0.272 CCCN(C)COC(=O)OC(C)C 269982a_100000747261_100010125566 [0,2,0,0,0,0|2,0,0]=4 10355 B12R0.272 CCC[C@H](N)COC(C)CC(C)C 34a_100000732646_100000731052 [0,2,0,0,0,0|1,0,1]=4 10356 B12R0.272 COCC(O)CNC(=O)CC(C)C 240690a_100000756049_100000210554 [0,2,0,0,0,0|2,0,0]=4 10357 B12R0.272 COCC(O)CNC(=O)CC(C)C 527a_100000756049_100000210554 [0,2,0,0,0,0|2,0,0]=4 10358 B12R0.272 COCC(O)CNC(=O)C[C@@H](C)O 240690a_100000756049_100011933948 [0,2,0,0,0,0|2,0,0]=4 10359 B12R0.598 CCCCCNS(=O)(=O)CC(C)C 270084a_100000209983_100000748289 [0,2,0,0,0,0|2,0,0]=4 10360 B12R0.598 CCCCCNS(=O)(=O)CC(C)C 274078a_100000209983_100000748289 [0,2,0,0,0,0|2,0,0]=4 10361 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [0,2,0,0,0,0|1,0,0]=3 10362 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [0,2,0,0,0,0|1,0,0]=3 10363 B12R0.1 C#CCCCCCCC(=O)CCF 1458a_100000034748_100011217306 [0,2,0,0,0,0|2,0,0]=4 10364 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100000034748_100000211926 [0,2,0,0,0,0|2,0,0]=4 10365 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100011216618_100012276617 [0,2,0,0,0,0|2,0,0]=4 10366 B12R0.1 C#CCCCCCCC(=O)COC 1458a_100000210968_100012276617 [0,2,0,0,0,0|2,0,0]=4 10367 B12R0.1 C#CCCCCCCC(=O)CSC 1458a_100000184570_100012276617 [0,2,0,0,0,0|2,0,0]=4 10368 B12R0.1 C#CCCCCCCC(=O)NCC 11a_100015525214_100000034748 [0,2,0,0,0,0|2,0,0]=4 10369 B12R0.1 C#CCCCCCCC(=O)NCC 240690a_100015525214_100000034748 [0,2,0,0,0,0|2,0,0]=4 10370 B12R0.1 C#CCCCCCCC(=O)NCC 527a_100015525214_100000034748 [0,2,0,0,0,0|2,0,0]=4 10371 B12R0.1 C#CCCCCCOC(C)CCC 34a_100000764384_100012094781 [0,2,0,0,0,0|1,0,1]=4 10372 B12R0.1 C#CCCCCCOC(C)CCC 34a_100000766912_100000766640 [0,2,0,0,0,0|1,0,1]=4 10373 B12R0.1 C#CCCCCCOC(C)CCC 7a_100000764384_100012094781 [0,2,0,0,0,0|1,0,1]=4 10374 B12R0.1 C#CCCCCCOC(C)CCC 7a_100000766912_100000766640 [0,2,0,0,0,0|1,0,1]=4 10375 B12R0.1 C#CCCCCNCC(=O)CCC 2230a_100000706060_100000747444 [0,2,0,0,0,0|1,0,1]=4 10376 B12R0.1 C#CCCCCOCC(=O)CCC 7a_100000766709_100000747444 [0,2,0,0,0,0|0,0,1]=3 10377 B12R0.1 C#CCCCCOCC(=O)NCC 34a_100000766709_100000183381 [0,2,0,0,0,0|1,0,1]=4 10378 B12R0.1 C#CCCCCOCC(=O)NCC 7a_100000766709_100000183381 [0,2,0,0,0,0|1,0,1]=4 10379 B12R0.1 C#CCCCCOCC(=O)OCC 34a_100000766709_100000188475 [0,2,0,0,0,0|1,0,1]=4 10380 B12R0.1 C#CCCCCOCC(=O)OCC 7a_100000766709_100000188475 [0,2,0,0,0,0|1,0,1]=4 10381 B12R0.1 C#CCCCCSCC(=O)CCC 62a_100000747444_100010269958 [0,2,0,0,0,0|0,1,1]=4 10382 B12R0.1 C#CCCCCSCC(=O)CCC 62a_100010269958_100000747444 [0,2,0,0,0,0|0,1,1]=4 10383 B12R0.1 C#CCCCNCOC(=O)CCC 34a_100000718082_100000034017 [0,2,0,0,0,0|0,0,1]=3 10384 B12R0.1 C#CCCCOCOC(=O)CCC 34a_100000215630_100000034017 [0,2,0,0,0,0|0,0,1]=3 10385 B12R0.1 C#CCCCSCOC(=O)CCC 62a_100011215417_100000034017 [0,2,0,0,0,0|0,0,1]=3 10386 B12R0.1 C#CCCCSCOC(=O)OCC 62a_100011215417_100000075025 [0,2,0,0,0,0|1,0,1]=4 10387 B12R0.1 C#CCOCCOCC(=O)CCC 7a_100000054580_100000747444 [0,2,0,0,0,0|0,0,2]=4 10388 B12R0.1 C/C=C/CCOCOC(=O)CCC 34a_100016278192_100000034017 [0,2,0,0,0,0|0,0,1]=3 10389 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,2,0,0,0,0|1,0,0]=3 10390 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,2,0,0,0,0|1,0,0]=3 10391 B12R0.1 C=CCCCCCCC(=O)CCF 1458a_100011809334_100011217306 [0,2,0,0,0,0|2,0,0]=4 10392 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,2,0,0,0,0|2,0,0]=4 10393 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,2,0,0,0,0|2,0,0]=4 10394 B12R0.1 C=CCCCCCCC(=O)COC 1458a_100000210968_100011215473 [0,2,0,0,0,0|2,0,0]=4 10395 B12R0.1 C=CCCCCCCC(=O)CSC 1458a_100000184570_100011215473 [0,2,0,0,0,0|2,0,0]=4 10396 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [0,2,0,0,0,0|2,0,0]=4 10397 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [0,2,0,0,0,0|2,0,0]=4 10398 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [0,2,0,0,0,0|2,0,0]=4 10399 B12R0.1 C=CCCCCCOC(C)CCC 34a_100000764384_100000700193 [0,2,0,0,0,0|1,0,1]=4 10400 B12R0.1 C=CCCCCCOC(C)CCC 34a_100011216702_100000766640 [0,2,0,0,0,0|1,0,1]=4 10401 B12R0.1 C=CCCCCCOC(C)CCC 7a_100000764384_100000700193 [0,2,0,0,0,0|1,0,1]=4 10402 B12R0.1 C=CCCCCCOC(C)CCC 7a_100011216702_100000766640 [0,2,0,0,0,0|1,0,1]=4 10403 B12R0.1 C=CCCCCNCC(=O)CCC 2230a_100000703577_100000747444 [0,2,0,0,0,0|1,0,1]=4 10404 B12R0.1 C=CCCCCOCC(=O)CCC 7a_100000766645_100000747444 [0,2,0,0,0,0|0,0,1]=3 10405 B12R0.1 C=CCCCCOCC(=O)NCC 34a_100000766645_100000183381 [0,2,0,0,0,0|1,0,1]=4 10406 B12R0.1 C=CCCCCOCC(=O)NCC 7a_100000766645_100000183381 [0,2,0,0,0,0|1,0,1]=4 10407 B12R0.1 C=CCCCCOCC(=O)OCC 34a_100000766645_100000188475 [0,2,0,0,0,0|1,0,1]=4 10408 B12R0.1 C=CCCCCOCC(=O)OCC 7a_100000766645_100000188475 [0,2,0,0,0,0|1,0,1]=4 10409 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100000747444_100011215482 [0,2,0,0,0,0|0,1,1]=4 10410 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100011215482_100000747444 [0,2,0,0,0,0|0,1,1]=4 10411 B12R0.1 C=CCCCNCOC(=O)CCC 2230a_100000700776_100000034017 [0,2,0,0,0,0|0,0,1]=3 10412 B12R0.1 C=CCCCNCOC(=O)CCC 34a_100000700776_100000034017 [0,2,0,0,0,0|0,0,1]=3 10413 B12R0.1 C=CCCCOCOC(=O)CCC 34a_100000758997_100000034017 [0,2,0,0,0,0|0,0,1]=3 10414 B12R0.1 C=CCCCSCOC(=O)CCC 62a_100011713584_100000034017 [0,2,0,0,0,0|0,0,1]=3 10415 B12R0.1 C=CCCCSCOC(=O)OCC 62a_100011713584_100000075025 [0,2,0,0,0,0|1,0,1]=4 10416 B12R0.1 C=CCOCCOCC(=O)CCC 7a_100000037705_100000747444 [0,2,0,0,0,0|0,0,2]=4 10417 B12R0.1 C=COCCOCOC(=O)CCC 34a_100000033082_100000034017 [0,2,0,0,0,0|0,0,2]=4 10418 B12R0.1 C=COCCSCOC(=O)CCC 62a_100000039644_100000034017 [0,2,0,0,0,0|0,0,2]=4 10419 B12R0.1 CC#CCCOCOC(=O)CCC 34a_100000750427_100000034017 [0,2,0,0,0,0|0,0,1]=3 10420 B12R0.1 CC/C=C/CCCOC(C)CCC 34a_100016287902_100000766640 [0,2,0,0,0,0|1,0,1]=4 10421 B12R0.1 CC/C=C/CCCOC(C)CCC 7a_100016287902_100000766640 [0,2,0,0,0,0|1,0,1]=4 10422 B12R0.1 CC/C=C\CCOCC(=O)CCC 7a_100016288707_100000747444 [0,2,0,0,0,0|0,0,1]=3 10423 B12R0.1 CC/C=C\CCOCC(=O)NCC 34a_100016288707_100000183381 [0,2,0,0,0,0|1,0,1]=4 10424 B12R0.1 CC/C=C\CCOCC(=O)NCC 7a_100016288707_100000183381 [0,2,0,0,0,0|1,0,1]=4 10425 B12R0.1 CC/C=C\CCOCC(=O)OCC 34a_100016288707_100000188475 [0,2,0,0,0,0|1,0,1]=4 10426 B12R0.1 CC/C=C\CCOCC(=O)OCC 7a_100016288707_100000188475 [0,2,0,0,0,0|1,0,1]=4 10427 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100000747444_100015370543 [0,2,0,0,0,0|0,1,1]=4 10428 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100015370543_100000747444 [0,2,0,0,0,0|0,1,1]=4 10429 B12R0.1 CC/C=C\COCOC(=O)CCC 34a_100016268518_100000034017 [0,2,0,0,0,0|0,0,1]=3 10430 B12R0.1 CC/C=C\CSCOC(=O)CCC 62a_100103147603_100000034017 [0,2,0,0,0,0|0,0,1]=3 10431 B12R0.1 CC/C=C\CSCOC(=O)OCC 62a_100103147603_100000075025 [0,2,0,0,0,0|1,0,1]=4 10432 B12R0.1 CC=CCCCOCC(=O)NCC 34a_100020645299_100000183381 [0,2,0,0,0,0|1,0,1]=4 10433 B12R0.1 CC=CCCCOCC(=O)OCC 34a_100020645299_100000188475 [0,2,0,0,0,0|1,0,1]=4 10434 B12R0.1 CCC#CCCOCC(=O)CCC 7a_100000036655_100000747444 [0,2,0,0,0,0|0,0,1]=3 10435 B12R0.1 CCC#CCCOCC(=O)NCC 34a_100000036655_100000183381 [0,2,0,0,0,0|1,0,1]=4 10436 B12R0.1 CCC#CCCOCC(=O)NCC 7a_100000036655_100000183381 [0,2,0,0,0,0|1,0,1]=4 10437 B12R0.1 CCC#CCCOCC(=O)OCC 34a_100000036655_100000188475 [0,2,0,0,0,0|1,0,1]=4 10438 B12R0.1 CCC#CCCOCC(=O)OCC 7a_100000036655_100000188475 [0,2,0,0,0,0|1,0,1]=4 10439 B12R0.1 CCC#CCOCOC(=O)CCC 34a_100000032950_100000034017 [0,2,0,0,0,0|0,0,1]=3 10440 B12R0.1 CCC#CCSCOC(=O)CCC 62a_100009813939_100000034017 [0,2,0,0,0,0|0,0,1]=3 10441 B12R0.1 CCC#CCSCOC(=O)OCC 62a_100009813939_100000075025 [0,2,0,0,0,0|1,0,1]=4 10442 B12R0.1 CCC/C=C/COCC(=O)CCC 7a_100016278788_100000747444 [0,2,0,0,0,0|0,0,1]=3 10443 B12R0.1 CCC/C=C/COCC(=O)NCC 34a_100016278788_100000183381 [0,2,0,0,0,0|1,0,1]=4 10444 B12R0.1 CCC/C=C/COCC(=O)NCC 7a_100016278788_100000183381 [0,2,0,0,0,0|1,0,1]=4 10445 B12R0.1 CCC/C=C/COCC(=O)OCC 34a_100016278788_100000188475 [0,2,0,0,0,0|1,0,1]=4 10446 B12R0.1 CCC/C=C/COCC(=O)OCC 7a_100016278788_100000188475 [0,2,0,0,0,0|1,0,1]=4 10447 B12R0.1 CCCC#CCCOC(C)CCC 34a_100000042726_100000766640 [0,2,0,0,0,0|1,0,1]=4 10448 B12R0.1 CCCC#CCCOC(C)CCC 7a_100000042726_100000766640 [0,2,0,0,0,0|1,0,1]=4 10449 B12R0.1 CCCC#CCOCC(=O)CCC 7a_100000034806_100000747444 [0,2,0,0,0,0|0,0,1]=3 10450 B12R0.1 CCCC#CCOCC(=O)NCC 34a_100000034806_100000183381 [0,2,0,0,0,0|1,0,1]=4 10451 B12R0.1 CCCC#CCOCC(=O)NCC 7a_100000034806_100000183381 [0,2,0,0,0,0|1,0,1]=4 10452 B12R0.1 CCCC#CCOCC(=O)OCC 34a_100000034806_100000188475 [0,2,0,0,0,0|1,0,1]=4 10453 B12R0.1 CCCC#CCOCC(=O)OCC 7a_100000034806_100000188475 [0,2,0,0,0,0|1,0,1]=4 10454 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [0,2,0,0,0,0|1,0,0]=3 10455 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,2,0,0,0,0|1,0,0]=3 10456 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,2,0,0,0,0|1,0,0]=3 10457 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,2,0,0,0,0|1,0,0]=3 10458 B12R0.1 CCCC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_100000210303 [0,2,0,0,0,0|2,0,0]=4 10459 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [0,2,0,0,0,0|1,0,0]=3 10460 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [0,2,0,0,0,0|1,0,0]=3 10461 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [0,2,0,0,0,0|1,0,0]=3 10462 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [0,2,0,0,0,0|1,0,0]=3 10463 B12R0.1 CCCC(=O)CNCCOCCO 2230a_100000211614_100000747444 [0,2,0,0,0,0|2,0,0]=4 10464 B12R0.1 CCCC(=O)CNCCSCCO 2230a_100011219999_100000747444 [0,2,0,0,0,0|2,0,0]=4 10465 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,2,0,0,0,0|0,0,0]=2 10466 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,2,0,0,0,0|0,0,0]=2 10467 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,2,0,0,0,0|0,0,0]=2 10468 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [0,2,0,0,0,0|0,0,0]=2 10469 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [0,2,0,0,0,0|0,0,0]=2 10470 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [0,2,0,0,0,0|0,0,0]=2 10471 B12R0.1 CCCC(=O)COCCOCCBr 7a_100000692535_100000747444 [0,2,0,0,0,0|1,0,0]=3 10472 B12R0.1 CCCC(=O)COCCOCCCl 7a_100011215305_100000747444 [0,2,0,0,0,0|1,0,0]=3 10473 B12R0.1 CCCC(=O)COCCOCCF 7a_200015357709_100000747444 [0,2,0,0,0,0|1,0,0]=3 10474 B12R0.1 CCCC(=O)COCCOCCI 7a_100012149058_100000747444 [0,2,0,0,0,0|1,0,0]=3 10475 B12R0.1 CCCC(=O)COCCOCCO 1458a_106645077154_100000210303 [0,2,0,0,0,0|1,0,0]=3 10476 B12R0.1 CCCC(=O)CSCCCCC#N 62a_100000747444_100000211819 [0,2,0,0,0,0|0,1,1]=4 10477 B12R0.1 CCCC(=O)CSCCCCC#N 62a_100011219923_100000747444 [0,2,0,0,0,0|0,1,1]=4 10478 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000139335_100000747444 [0,2,0,0,0,0|0,1,1]=4 10479 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000747444_100000139335 [0,2,0,0,0,0|0,1,1]=4 10480 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [0,2,0,0,0,0|0,1,0]=3 10481 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [0,2,0,0,0,0|0,1,0]=3 10482 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [0,2,0,0,0,0|0,1,0]=3 10483 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [0,2,0,0,0,0|0,1,0]=3 10484 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [0,2,0,0,0,0|0,1,0]=3 10485 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [0,2,0,0,0,0|0,1,0]=3 10486 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [0,2,0,0,0,0|0,1,0]=3 10487 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [0,2,0,0,0,0|0,1,0]=3 10488 B12R0.1 CCCC(=O)CSCCOCCO 62a_100000747444_100011215305 [0,2,0,0,0,0|1,1,0]=4 10489 B12R0.1 CCCC(=O)CSCCOCCO 62a_100011215305_100000747444 [0,2,0,0,0,0|1,1,0]=4 10490 B12R0.1 CCCC(=O)CSCOCCOC 62a_100000231047_100000747444 [0,2,0,0,0,0|1,1,0]=4 10491 B12R0.1 CCCC(=O)CSCOCCOC 62a_100000747444_100000231047 [0,2,0,0,0,0|1,1,0]=4 10492 B12R0.1 CCCC(=O)NCCCCCC#N 11a_100000061152_100000211992 [0,2,0,0,0,0|1,0,0]=3 10493 B12R0.1 CCCC(=O)NCCCCCC#N 1626a_100000061152_100000211992 [0,2,0,0,0,0|1,0,0]=3 10494 B12R0.1 CCCC(=O)NCCCCCC#N 240690a_100000061152_100000211992 [0,2,0,0,0,0|1,0,0]=3 10495 B12R0.1 CCCC(=O)NCCCCCC#N 527a_100000061152_100000211992 [0,2,0,0,0,0|1,0,0]=3 10496 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,2,0,0,0,0|1,0,0]=3 10497 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,2,0,0,0,0|1,0,0]=3 10498 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [0,2,0,0,0,0|1,0,0]=3 10499 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [0,2,0,0,0,0|1,0,0]=3 10500 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [0,2,0,0,0,0|1,0,0]=3 10501 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [0,2,0,0,0,0|1,0,0]=3 10502 B12R0.1 CCCC(=O)NCCCCN=[N+]=[N-] 11a_100000101370_100000211992 [0,2,0,0,0,0|2,0,0]=4 10503 B12R0.1 CCCC(=O)NCCCCN=[N+]=[N-] 240690a_100000101370_100000211992 [0,2,0,0,0,0|2,0,0]=4 10504 B12R0.1 CCCC(=O)NCCOCCOC 11a_100000745349_100000211992 [0,2,0,0,0,0|1,0,0]=3 10505 B12R0.1 CCCC(=O)NCCOCCOC 1626a_100000745349_100000211992 [0,2,0,0,0,0|1,0,0]=3 10506 B12R0.1 CCCC(=O)NCCOCCOC 240690a_100000745349_100000211992 [0,2,0,0,0,0|1,0,0]=3 10507 B12R0.1 CCCC(=O)NCCOCCOC 527a_100000745349_100000211992 [0,2,0,0,0,0|1,0,0]=3 10508 B12R0.1 CCCC(=O)NN=CCCCCO 4a_100000189770_100000031955 [0,2,0,0,0,0|1,0,1]=4 10509 B12R0.1 CCCC(=O)OCNCCCCO 2230a_100000750430_100000034017 [0,2,0,0,0,0|0,0,0]=2 10510 B12R0.1 CCCC(=O)OCNCCCCO 34a_100000750430_100000034017 [0,2,0,0,0,0|0,0,0]=2 10511 B12R0.1 CCCC(=O)OCNCCCOC 34a_100150723488_100000034017 [0,2,0,0,0,0|0,0,0]=2 10512 B12R0.1 CCCC(=O)OCNCCCSC 2230a_100000749238_100000034017 [0,2,0,0,0,0|0,0,0]=2 10513 B12R0.1 CCCC(=O)OCNCCOCC 2230a_102516460346_100000034017 [0,2,0,0,0,0|0,0,0]=2 10514 B12R0.1 CCCC(=O)OCNCCOCC 34a_102516460346_100000034017 [0,2,0,0,0,0|0,0,0]=2 10515 B12R0.1 CCCC(=O)OCNCCSCC 2230a_100000106463_100000034017 [0,2,0,0,0,0|0,0,0]=2 10516 B12R0.1 CCCC(=O)OCOCC#CCCl 34a_200000047223_100000034017 [0,2,0,0,0,0|0,0,2]=4 10517 B12R0.1 CCCC(=O)OCOCCCCBr 34a_100011216708_100000034017 [0,2,0,0,0,0|0,0,0]=2 10518 B12R0.1 CCCC(=O)OCOCCCCCl 34a_100000210776_100000034017 [0,2,0,0,0,0|0,0,0]=2 10519 B12R0.1 CCCC(=O)OCOCCCCF 34a_100011995726_100000034017 [0,2,0,0,0,0|0,0,0]=2 10520 B12R0.1 CCCC(=O)OCOCCCCI 34a_200012148704_100000034017 [0,2,0,0,0,0|0,0,0]=2 10521 B12R0.1 CCCC(=O)OCOCCCCN 34a_100000750430_100000034017 [0,2,0,0,0,0|0,0,0]=2 10522 B12R0.1 CCCC(=O)OCOCCCNC 34a_100000213112_100000034017 [0,2,0,0,0,0|0,0,0]=2 10523 B12R0.1 CCCC(=O)OCOCCCOC 34a_100000740835_100000034017 [0,2,0,0,0,0|0,0,0]=2 10524 B12R0.1 CCCC(=O)OCOCCCSC 34a_100000690336_100000034017 [0,2,0,0,0,0|0,0,0]=2 10525 B12R0.1 CCCC(=O)OCOCCOCC 34a_100000210136_100000034017 [0,2,0,0,0,0|0,0,0]=2 10526 B12R0.1 CCCC(=O)OCOCCSCC 34a_100000212035_100000034017 [0,2,0,0,0,0|0,0,0]=2 10527 B12R0.1 CCCC(=O)OCSCC#CCO 62a_200000047223_100000034017 [0,2,0,0,0,0|0,0,2]=4 10528 B12R0.1 CCCC(=O)OCSCCCC#N 62a_100000687738_100000034017 [0,2,0,0,0,0|0,0,1]=3 10529 B12R0.1 CCCC(=O)OCSCCCC=O 62a_200011292268_100000034017 [0,2,0,0,0,0|0,0,1]=3 10530 B12R0.1 CCCC(=O)OCSCCCCF 62a_100000729493_100000034017 [0,2,0,0,0,0|0,0,0]=2 10531 B12R0.1 CCCC(=O)OCSCCCCO 62a_100000210776_100000034017 [0,2,0,0,0,0|0,0,0]=2 10532 B12R0.1 CCCC(=O)OCSCCCOC 62a_100000709357_100000034017 [0,2,0,0,0,0|0,0,0]=2 10533 B12R0.1 CCCC(=O)OCSCCOCC 62a_100000210147_100000034017 [0,2,0,0,0,0|0,0,0]=2 10534 B12R0.1 CCCC(=O)OCSCCSC#N 62a_100000034367_100000034017 [0,2,0,0,0,0|1,0,1]=4 10535 B12R0.1 CCCC(=O)OCSCCSCC 62a_100000757381_100000034017 [0,2,0,0,0,0|0,0,0]=2 10536 B12R0.1 CCCC(C)COCCCCCBr 34a_100000746331_100011216630 [0,2,0,0,0,0|1,0,1]=4 10537 B12R0.1 CCCC(C)COCCCCCBr 7a_100000746331_100011216630 [0,2,0,0,0,0|1,0,1]=4 10538 B12R0.1 CCCC(C)COCCCCCCl 34a_100000746330_100011216630 [0,2,0,0,0,0|1,0,1]=4 10539 B12R0.1 CCCC(C)COCCCCCCl 7a_100000746330_100011216630 [0,2,0,0,0,0|1,0,1]=4 10540 B12R0.1 CCCC(C)COCCCCCF 34a_100000688023_100000729378 [0,2,0,0,0,0|1,0,1]=4 10541 B12R0.1 CCCC(C)COCCCCCF 7a_100000688023_100000729378 [0,2,0,0,0,0|1,0,1]=4 10542 B12R0.1 CCCC(C)COCCCCCI 34a_200012148887_100011216630 [0,2,0,0,0,0|1,0,1]=4 10543 B12R0.1 CCCC(C)COCCCCCI 7a_200012148887_100011216630 [0,2,0,0,0,0|1,0,1]=4 10544 B12R0.1 CCCC(C)COCCCCCN 34a_100000762737_100011216630 [0,2,0,0,0,0|1,0,1]=4 10545 B12R0.1 CCCC(C)COCCCCCO 34a_100000688023_100000746330 [0,2,0,0,0,0|1,0,1]=4 10546 B12R0.1 CCCC(C)COCCCCCO 7a_100000688023_100000746330 [0,2,0,0,0,0|1,0,1]=4 10547 B12R0.1 CCCC(C)COCCCCOC 34a_100000688023_100000755781 [0,2,0,0,0,0|1,0,1]=4 10548 B12R0.1 CCCC(C)COCCCCOC 34a_100000740925_100011216630 [0,2,0,0,0,0|1,0,1]=4 10549 B12R0.1 CCCC(C)COCCCCOC 7a_100000688023_100000730899 [0,2,0,0,0,0|1,0,1]=4 10550 B12R0.1 CCCC(C)COCCCCSC 34a_100011217163_100011216630 [0,2,0,0,0,0|1,0,1]=4 10551 B12R0.1 CCCC(C)COCCCCSC 7a_100011217163_100011216630 [0,2,0,0,0,0|1,0,1]=4 10552 B12R0.1 CCCC(C)COCCCOCC 34a_100000688023_100012232248 [0,2,0,0,0,0|1,0,1]=4 10553 B12R0.1 CCCC(C)COCCCOCC 34a_100000757476_100011216630 [0,2,0,0,0,0|1,0,1]=4 10554 B12R0.1 CCCC(C)COCCCOCC 7a_100000688023_100012232248 [0,2,0,0,0,0|1,0,1]=4 10555 B12R0.1 CCCC(C)COCCCOCC 7a_100000757476_100011216630 [0,2,0,0,0,0|1,0,1]=4 10556 B12R0.1 CCCC(C)COCCCSCC 34a_100011216438_100011216630 [0,2,0,0,0,0|1,0,1]=4 10557 B12R0.1 CCCC(C)COCCCSCC 7a_100011216438_100011216630 [0,2,0,0,0,0|1,0,1]=4 10558 B12R0.1 CCCC(C)OCCCCCC#N 7a_100000764384_100009813376 [0,2,0,0,0,0|1,0,1]=4 10559 B12R0.1 CCCC(C)OCCCCCC=O 7a_100000764384_100000139337 [0,2,0,0,0,0|1,0,1]=4 10560 B12R0.1 CCCC(C)OCCCCCCBr 34a_100011215345_100000766640 [0,2,0,0,0,0|1,0,1]=4 10561 B12R0.1 CCCC(C)OCCCCCCBr 7a_100011215345_100000766640 [0,2,0,0,0,0|1,0,1]=4 10562 B12R0.1 CCCC(C)OCCCCCCCl 34a_100000766143_100000766640 [0,2,0,0,0,0|1,0,1]=4 10563 B12R0.1 CCCC(C)OCCCCCCCl 7a_100000766143_100000766640 [0,2,0,0,0,0|1,0,1]=4 10564 B12R0.1 CCCC(C)OCCCCCCF 34a_100000732779_100000766640 [0,2,0,0,0,0|1,0,1]=4 10565 B12R0.1 CCCC(C)OCCCCCCF 34a_100000764384_100015922095 [0,2,0,0,0,0|1,0,1]=4 10566 B12R0.1 CCCC(C)OCCCCCCF 7a_100000732779_100000766640 [0,2,0,0,0,0|1,0,1]=4 10567 B12R0.1 CCCC(C)OCCCCCCF 7a_100000764384_100015922095 [0,2,0,0,0,0|1,0,1]=4 10568 B12R0.1 CCCC(C)OCCCCCCN 34a_100000686447_100000766640 [0,2,0,0,0,0|1,0,1]=4 10569 B12R0.1 CCCC(C)OCCCCCCO 34a_100000764384_100000766143 [0,2,0,0,0,0|1,0,1]=4 10570 B12R0.1 CCCC(C)OCCCCCCO 7a_100000764384_100000766143 [0,2,0,0,0,0|1,0,1]=4 10571 B12R0.1 CCCC(C)OCCCCCNC 34a_100000722520_100000766640 [0,2,0,0,0,0|1,0,1]=4 10572 B12R0.1 CCCC(C)OCCOCCNC 34a_100000228057_100000766640 [0,2,0,0,0,0|1,0,1]=4 10573 B12R0.1 CCCC(C)OCCOCCOC 34a_100000764384_100000695917 [0,2,0,0,0,0|1,0,1]=4 10574 B12R0.1 CCCC(C)OCCOCCOC 34a_100011215163_100000766640 [0,2,0,0,0,0|1,0,1]=4 10575 B12R0.1 CCCC(C)OCCOCCOC 7a_100000764384_100000695917 [0,2,0,0,0,0|1,0,1]=4 10576 B12R0.1 CCCC(C)OCCOCCOC 7a_100011215163_100000766640 [0,2,0,0,0,0|1,0,1]=4 10577 B12R0.1 CCCC/C=C/COC(C)CCC 34a_200016272032_100000766640 [0,2,0,0,0,0|1,0,1]=4 10578 B12R0.1 CCCC/C=C/COC(C)CCC 7a_200016272032_100000766640 [0,2,0,0,0,0|1,0,1]=4 10579 B12R0.1 CCCCC#CCOC(C)CCC 34a_200000034558_100000766640 [0,2,0,0,0,0|1,0,1]=4 10580 B12R0.1 CCCCC#CCOC(C)CCC 7a_200000034558_100000766640 [0,2,0,0,0,0|1,0,1]=4 10581 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,2,0,0,0,0|1,0,0]=3 10582 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [0,2,0,0,0,0|2,0,0]=4 10583 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,2,0,0,0,0|2,0,0]=4 10584 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [0,2,0,0,0,0|2,0,0]=4 10585 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [0,2,0,0,0,0|2,0,0]=4 10586 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [0,2,0,0,0,0|1,0,0]=3 10587 B12R0.1 CCCCCC#CCC(=O)CCO 1458a_100011216618_100009816472 [0,2,0,0,0,0|2,0,0]=4 10588 B12R0.1 CCCCCC#CCC(=O)COC 1458a_100000210968_100009816472 [0,2,0,0,0,0|2,0,0]=4 10589 B12R0.1 CCCCCC#CCC(=O)CSC 1458a_100000184570_100009816472 [0,2,0,0,0,0|2,0,0]=4 10590 B12R0.1 CCCCCC=NNC(=O)CCC 4a_100000189770_100000737632 [0,2,0,0,0,0|1,0,0]=3 10591 B12R0.1 CCCCCC=NNC(=O)COC 4a_100000216845_100000737632 [0,2,0,0,0,0|2,0,0]=4 10592 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,2,0,0,0,0|1,0,0]=3 10593 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,2,0,0,0,0|2,0,0]=4 10594 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,2,0,0,0,0|2,0,0]=4 10595 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,2,0,0,0,0|2,0,0]=4 10596 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,2,0,0,0,0|2,0,0]=4 10597 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,2,0,0,0,0|1,0,0]=3 10598 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,2,0,0,0,0|1,0,0]=3 10599 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,2,0,0,0,0|2,0,0]=4 10600 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,2,0,0,0,0|2,0,0]=4 10601 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,2,0,0,0,0|2,0,0]=4 10602 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,2,0,0,0,0|2,0,0]=4 10603 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,2,0,0,0,0|2,0,0]=4 10604 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,2,0,0,0,0|2,0,0]=4 10605 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,2,0,0,0,0|2,0,0]=4 10606 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,2,0,0,0,0|2,0,0]=4 10607 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 10608 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 10609 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 10610 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 10611 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,2,0,0,0,0|2,0,0]=4 10612 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,2,0,0,0,0|2,0,0]=4 10613 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,2,0,0,0,0|2,0,0]=4 10614 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,2,0,0,0,0|2,0,0]=4 10615 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,2,0,0,0,0|2,0,0]=4 10616 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,2,0,0,0,0|2,0,0]=4 10617 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,2,0,0,0,0|2,0,0]=4 10618 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,2,0,0,0,0|2,0,0]=4 10619 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,2,0,0,0,0|2,0,0]=4 10620 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,2,0,0,0,0|2,0,0]=4 10621 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,2,0,0,0,0|2,0,0]=4 10622 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,2,0,0,0,0|2,0,0]=4 10623 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,2,0,0,0,0|2,0,0]=4 10624 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,2,0,0,0,0|2,0,0]=4 10625 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,2,0,0,0,0|2,0,0]=4 10626 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [0,2,0,0,0,0|1,0,1]=4 10627 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [0,2,0,0,0,0|1,0,1]=4 10628 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [0,2,0,0,0,0|1,0,1]=4 10629 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [0,2,0,0,0,0|1,0,1]=4 10630 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,2,0,0,0,0|1,0,0]=3 10631 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,2,0,0,0,0|2,0,0]=4 10632 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,2,0,0,0,0|2,0,0]=4 10633 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,2,0,0,0,0|2,0,0]=4 10634 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,2,0,0,0,0|0,0,0]=2 10635 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,2,0,0,0,0|1,0,0]=3 10636 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,2,0,0,0,0|1,0,0]=3 10637 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,2,0,0,0,0|2,0,0]=4 10638 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,2,0,0,0,0|2,0,0]=4 10639 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,2,0,0,0,0|1,0,0]=3 10640 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,2,0,0,0,0|1,0,0]=3 10641 B12R0.1 CCCCCCOCC(C)CCC 34a_100000210259_100011216630 [0,2,0,0,0,0|1,0,1]=4 10642 B12R0.1 CCCCCCOCC(C)CCC 34a_100000688023_100000210314 [0,2,0,0,0,0|1,0,1]=4 10643 B12R0.1 CCCCCCOCC(C)CCC 7a_100000210259_100011216630 [0,2,0,0,0,0|1,0,1]=4 10644 B12R0.1 CCCCCCOCC(C)CCC 7a_100000688023_100000210314 [0,2,0,0,0,0|1,0,1]=4 10645 B12R0.1 CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210314 [0,2,0,0,0,0|1,0,1]=4 10646 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,2,0,0,0,0|0,1,0]=3 10647 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,2,0,0,0,0|0,1,0]=3 10648 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,2,0,0,0,0|1,1,0]=4 10649 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,2,0,0,0,0|1,1,0]=4 10650 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,2,0,0,0,0|1,1,0]=4 10651 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,2,0,0,0,0|1,1,0]=4 10652 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,2,0,0,0,0|2,0,0]=4 10653 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,2,0,0,0,0|2,0,0]=4 10654 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,2,0,0,0,0|2,0,0]=4 10655 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,2,0,0,0,0|0,0,0]=2 10656 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [0,2,0,0,0,0|2,0,0]=4 10657 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,2,0,0,0,0|1,0,0]=3 10658 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,2,0,0,0,0|1,0,0]=3 10659 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,2,0,0,0,0|1,0,0]=3 10660 B12R0.1 CCCCCOCCC(C)CCC 34a_100011217855_100000718602 [0,2,0,0,0,0|1,0,1]=4 10661 B12R0.1 CCCCCOCCC(C)CCC 7a_100011217855_100000210326 [0,2,0,0,0,0|1,0,1]=4 10662 B12R0.1 CCCCCOCC[C@@H](N)CCC 34a_100015193777_100000718602 [0,2,0,0,0,0|1,0,1]=4 10663 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,2,0,0,0,0|0,0,0]=2 10664 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,2,0,0,0,0|1,1,0]=4 10665 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,2,0,0,0,0|1,1,0]=4 10666 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,2,0,0,0,0|1,1,0]=4 10667 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,2,0,0,0,0|1,1,0]=4 10668 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,2,0,0,0,0|0,0,0]=2 10669 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,2,0,0,0,0|1,0,0]=3 10670 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [0,2,0,0,0,0|2,0,0]=4 10671 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [0,2,0,0,0,0|2,0,0]=4 10672 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,2,0,0,0,0|2,0,0]=4 10673 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,2,0,0,0,0|2,0,0]=4 10674 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,2,0,0,0,0|2,0,0]=4 10675 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [0,2,0,0,0,0|2,0,0]=4 10676 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [0,2,0,0,0,0|2,0,0]=4 10677 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,2,0,0,0,0|2,0,0]=4 10678 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,2,0,0,0,0|2,0,0]=4 10679 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,2,0,0,0,0|2,0,0]=4 10680 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,2,0,0,0,0|2,0,0]=4 10681 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,2,0,0,0,0|2,0,0]=4 10682 B12R0.1 CCCCOCCOC(C)CCC 34a_100000210238_100000766640 [0,2,0,0,0,0|1,0,1]=4 10683 B12R0.1 CCCCOCCOC(C)CCC 34a_100000764384_100000743108 [0,2,0,0,0,0|1,0,1]=4 10684 B12R0.1 CCCCOCCOC(C)CCC 7a_100000210238_100000766640 [0,2,0,0,0,0|1,0,1]=4 10685 B12R0.1 CCCCOCCOC(C)CCC 7a_100000764384_100000743108 [0,2,0,0,0,0|1,0,1]=4 10686 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [0,2,0,0,0,0|2,0,0]=4 10687 B12R0.1 CCCCOCOCC(C)CCC 34a_100000688023_100011995733 [0,2,0,0,0,0|1,0,1]=4 10688 B12R0.1 CCCCOCOC[C@@H](N)CCC 34a_100000732646_100011995733 [0,2,0,0,0,0|1,0,1]=4 10689 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [0,2,0,0,0,0|0,1,0]=3 10690 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [0,2,0,0,0,0|0,1,0]=3 10691 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [0,2,0,0,0,0|1,1,0]=4 10692 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [0,2,0,0,0,0|1,1,0]=4 10693 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [0,2,0,0,0,0|1,1,0]=4 10694 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [0,2,0,0,0,0|1,1,0]=4 10695 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [0,2,0,0,0,0|2,0,0]=4 10696 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [0,2,0,0,0,0|2,0,0]=4 10697 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,2,0,0,0,0|2,0,0]=4 10698 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,2,0,0,0,0|2,0,0]=4 10699 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [0,2,0,0,0,0|1,0,0]=3 10700 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [0,2,0,0,0,0|1,0,0]=3 10701 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [0,2,0,0,0,0|1,0,0]=3 10702 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [0,2,0,0,0,0|1,0,0]=3 10703 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,2,0,0,0,0|2,0,0]=4 10704 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 10705 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 10706 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 10707 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 10708 B12R0.1 CCCCSCCNC(=O)CSC 11a_100025743550_100000184570 [0,2,0,0,0,0|2,0,0]=4 10709 B12R0.1 CCCCSCCNC(=O)CSC 1626a_100025743550_100000184570 [0,2,0,0,0,0|2,0,0]=4 10710 B12R0.1 CCCCSCCNC(=O)CSC 240690a_100025743550_100000184570 [0,2,0,0,0,0|2,0,0]=4 10711 B12R0.1 CCCCSCCNC(=O)CSC 527a_100025743550_100000184570 [0,2,0,0,0,0|2,0,0]=4 10712 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [0,2,0,0,0,0|2,0,0]=4 10713 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [0,2,0,0,0,0|2,0,0]=4 10714 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [0,2,0,0,0,0|2,0,0]=4 10715 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [0,2,0,0,0,0|2,0,0]=4 10716 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [0,2,0,0,0,0|2,0,0]=4 10717 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [0,2,0,0,0,0|2,0,0]=4 10718 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,2,0,0,0,0|2,0,0]=4 10719 B12R0.1 CCCCSCCOC(C)CCC 34a_200000230436_100000766640 [0,2,0,0,0,0|1,0,1]=4 10720 B12R0.1 CCCCSCCOC(C)CCC 7a_200000230436_100000766640 [0,2,0,0,0,0|1,0,1]=4 10721 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,2,0,0,0,0|2,0,0]=4 10722 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [0,2,0,0,0,0|1,0,0]=3 10723 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [0,2,0,0,0,0|1,0,0]=3 10724 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [0,2,0,0,0,0|1,0,0]=3 10725 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,2,0,0,0,0|2,0,0]=4 10726 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 10727 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 10728 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 10729 B12R0.1 CCCOCCCNC(=O)CSC 1626a_100011217757_100000184570 [0,2,0,0,0,0|2,0,0]=4 10730 B12R0.1 CCCOCCCNC(=O)CSC 240690a_100011217757_100000184570 [0,2,0,0,0,0|2,0,0]=4 10731 B12R0.1 CCCOCCCNC(=O)CSC 527a_100011217757_100000184570 [0,2,0,0,0,0|2,0,0]=4 10732 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [0,2,0,0,0,0|2,0,0]=4 10733 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [0,2,0,0,0,0|2,0,0]=4 10734 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [0,2,0,0,0,0|2,0,0]=4 10735 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [0,2,0,0,0,0|2,0,0]=4 10736 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [0,2,0,0,0,0|2,0,0]=4 10737 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [0,2,0,0,0,0|2,0,0]=4 10738 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [0,2,0,0,0,0|1,0,0]=3 10739 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100016988866_100011215938 [0,2,0,0,0,0|2,0,0]=4 10740 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100161115042_100000183381 [0,2,0,0,0,0|2,0,0]=4 10741 B12R0.1 CCCOCCNCC(=O)NCC 34a_100161115042_100000183381 [0,2,0,0,0,0|2,0,0]=4 10742 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [0,2,0,0,0,0|2,0,0]=4 10743 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [0,2,0,0,0,0|2,0,0]=4 10744 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [0,2,0,0,0,0|0,0,0]=2 10745 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [0,2,0,0,0,0|1,0,0]=3 10746 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [0,2,0,0,0,0|1,0,0]=3 10747 B12R0.1 CCCOCCOCC(=O)NCO 34a_100000752267_100000185155 [0,2,0,0,0,0|2,0,0]=4 10748 B12R0.1 CCCOCCOCC(=O)NCO 7a_100000752267_100000185155 [0,2,0,0,0,0|2,0,0]=4 10749 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,2,0,0,0,0|1,0,0]=3 10750 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,2,0,0,0,0|1,0,0]=3 10751 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,2,0,0,0,0|1,0,0]=3 10752 B12R0.1 CCCOCCOCC(C)CCC 34a_100000688023_100011215938 [0,2,0,0,0,0|1,0,1]=4 10753 B12R0.1 CCCOCCOCC(C)CCC 34a_100000752267_100011216630 [0,2,0,0,0,0|1,0,1]=4 10754 B12R0.1 CCCOCCOCC(C)CCC 7a_100000688023_100011215938 [0,2,0,0,0,0|1,0,1]=4 10755 B12R0.1 CCCOCCOCC(C)CCC 7a_100000752267_100011216630 [0,2,0,0,0,0|1,0,1]=4 10756 B12R0.1 CCCOCCOC[C@@H](N)CCC 34a_100000732646_100011215938 [0,2,0,0,0,0|1,0,1]=4 10757 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [0,2,0,0,0,0|0,1,0]=3 10758 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [0,2,0,0,0,0|0,1,0]=3 10759 B12R0.1 CCCOCCSCC(=O)NCC 62a_100000183381_100011215938 [0,2,0,0,0,0|1,1,0]=4 10760 B12R0.1 CCCOCCSCC(=O)NCC 62a_100011215938_100000183381 [0,2,0,0,0,0|1,1,0]=4 10761 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [0,2,0,0,0,0|1,1,0]=4 10762 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [0,2,0,0,0,0|1,1,0]=4 10763 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [0,2,0,0,0,0|1,1,0]=4 10764 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,2,0,0,0,0|2,0,0]=4 10765 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,2,0,0,0,0|2,0,0]=4 10766 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [0,2,0,0,0,0|1,0,0]=3 10767 B12R0.1 CCCSCCNCC(=O)NCC 2230a_100020603323_100000183381 [0,2,0,0,0,0|2,0,0]=4 10768 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [0,2,0,0,0,0|2,0,0]=4 10769 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [0,2,0,0,0,0|0,0,0]=2 10770 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [0,2,0,0,0,0|1,0,0]=3 10771 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [0,2,0,0,0,0|1,0,0]=3 10772 B12R0.1 CCCSCCOCC(=O)NCO 34a_200000230433_100000185155 [0,2,0,0,0,0|2,0,0]=4 10773 B12R0.1 CCCSCCOCC(=O)NCO 7a_200000230433_100000185155 [0,2,0,0,0,0|2,0,0]=4 10774 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,2,0,0,0,0|1,0,0]=3 10775 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,2,0,0,0,0|1,0,0]=3 10776 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,2,0,0,0,0|1,0,0]=3 10777 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,2,0,0,0,0|1,0,0]=3 10778 B12R0.1 CCCSCCOCC(C)CCC 34a_200000230433_100011216630 [0,2,0,0,0,0|1,0,1]=4 10779 B12R0.1 CCCSCCOCC(C)CCC 7a_200000230433_100011216630 [0,2,0,0,0,0|1,0,1]=4 10780 B12R0.1 CCC[C@H](N)COCCCCCF 34a_100000732646_100000729378 [0,2,0,0,0,0|1,0,1]=4 10781 B12R0.1 CCC[C@H](N)COCCCCCO 34a_100000732646_100000746330 [0,2,0,0,0,0|1,0,1]=4 10782 B12R0.1 CCC[C@H](N)COCCCCOC 34a_100000732646_100000755781 [0,2,0,0,0,0|1,0,1]=4 10783 B12R0.1 CCC[C@H](N)COCCCOCC 34a_100000732646_100012232248 [0,2,0,0,0,0|1,0,1]=4 10784 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,2,0,0,0,0|2,0,0]=4 10785 B12R0.1 CCNC(=O)CCNCCCCF 34a_100025743525_100000729493 [0,2,0,0,0,0|2,0,0]=4 10786 B12R0.1 CCNC(=O)CCNCCCCO 2230a_100000750430_100000737597 [0,2,0,0,0,0|2,0,0]=4 10787 B12R0.1 CCNC(=O)CCNCCCCO 34a_100025743525_100011216708 [0,2,0,0,0,0|2,0,0]=4 10788 B12R0.1 CCNC(=O)CCNCCCOC 34a_100025743525_100000740836 [0,2,0,0,0,0|2,0,0]=4 10789 B12R0.1 CCNC(=O)CCNCCCSC 2230a_100000749238_100000737597 [0,2,0,0,0,0|2,0,0]=4 10790 B12R0.1 CCNC(=O)CCNCCOCC 2230a_102516460346_100000737597 [0,2,0,0,0,0|2,0,0]=4 10791 B12R0.1 CCNC(=O)CCNCCOCC 34a_100025743525_100000210147 [0,2,0,0,0,0|2,0,0]=4 10792 B12R0.1 CCNC(=O)CCNCCSCC 2230a_100000106463_100000737597 [0,2,0,0,0,0|2,0,0]=4 10793 B12R0.1 CCNC(=O)CCNCCSCC 34a_100025743525_100000757381 [0,2,0,0,0,0|2,0,0]=4 10794 B12R0.1 CCNC(=O)CCOCCCCCl 7a_100000210776_100000737597 [0,2,0,0,0,0|2,0,0]=4 10795 B12R0.1 CCNC(=O)CCOCCCCF 7a_100011995726_100000737597 [0,2,0,0,0,0|2,0,0]=4 10796 B12R0.1 CCNC(=O)CCOCCCSC 7a_100000690336_100000737597 [0,2,0,0,0,0|2,0,0]=4 10797 B12R0.1 CCNC(=O)CCOCCOCC 7a_100000210136_100000737597 [0,2,0,0,0,0|2,0,0]=4 10798 B12R0.1 CCNC(=O)CCOCCSCC 7a_100000212035_100000737597 [0,2,0,0,0,0|2,0,0]=4 10799 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000729493_100000737597 [0,2,0,0,0,0|2,0,0]=4 10800 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000737597_100000729493 [0,2,0,0,0,0|2,0,0]=4 10801 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000210776_100000737597 [0,2,0,0,0,0|2,0,0]=4 10802 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000737597_100000210776 [0,2,0,0,0,0|2,0,0]=4 10803 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000709357_100000737597 [0,2,0,0,0,0|2,0,0]=4 10804 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000737597_100000709357 [0,2,0,0,0,0|2,0,0]=4 10805 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000210147_100000737597 [0,2,0,0,0,0|2,0,0]=4 10806 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000737597_100011215890 [0,2,0,0,0,0|2,0,0]=4 10807 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000737597_100000757381 [0,2,0,0,0,0|2,0,0]=4 10808 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000757381_100000737597 [0,2,0,0,0,0|2,0,0]=4 10809 B12R0.1 CCNC(=O)CNCCCCCF 2230a_100016988866_100000729378 [0,2,0,0,0,0|2,0,0]=4 10810 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [0,2,0,0,0,0|2,0,0]=4 10811 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [0,2,0,0,0,0|2,0,0]=4 10812 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [0,2,0,0,0,0|2,0,0]=4 10813 B12R0.1 CCNC(=O)CNCCCCOC 2230a_100016988866_100000730899 [0,2,0,0,0,0|2,0,0]=4 10814 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100000210961_100000183381 [0,2,0,0,0,0|2,0,0]=4 10815 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100016988866_100012232248 [0,2,0,0,0,0|2,0,0]=4 10816 B12R0.1 CCNC(=O)CNCCCOCC 34a_100000210961_100000183381 [0,2,0,0,0,0|2,0,0]=4 10817 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [0,2,0,0,0,0|1,0,0]=3 10818 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [0,2,0,0,0,0|1,0,0]=3 10819 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [0,2,0,0,0,0|1,0,0]=3 10820 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [0,2,0,0,0,0|1,0,0]=3 10821 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [0,2,0,0,0,0|1,0,0]=3 10822 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [0,2,0,0,0,0|1,0,0]=3 10823 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [0,2,0,0,0,0|1,0,0]=3 10824 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [0,2,0,0,0,0|1,0,0]=3 10825 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [0,2,0,0,0,0|1,0,0]=3 10826 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [0,2,0,0,0,0|1,0,0]=3 10827 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [0,2,0,0,0,0|1,0,0]=3 10828 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [0,2,0,0,0,0|1,0,0]=3 10829 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [0,2,0,0,0,0|1,0,0]=3 10830 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [0,2,0,0,0,0|1,0,0]=3 10831 B12R0.1 CCNC(=O)COCCOCCBr 34a_100000692535_100000183381 [0,2,0,0,0,0|2,0,0]=4 10832 B12R0.1 CCNC(=O)COCCOCCBr 7a_100000692535_100000183381 [0,2,0,0,0,0|2,0,0]=4 10833 B12R0.1 CCNC(=O)COCCOCCCl 34a_100011215305_100000183381 [0,2,0,0,0,0|2,0,0]=4 10834 B12R0.1 CCNC(=O)COCCOCCCl 7a_100011215305_100000183381 [0,2,0,0,0,0|2,0,0]=4 10835 B12R0.1 CCNC(=O)COCCOCCF 34a_200015357709_100000183381 [0,2,0,0,0,0|2,0,0]=4 10836 B12R0.1 CCNC(=O)COCCOCCF 7a_200015357709_100000183381 [0,2,0,0,0,0|2,0,0]=4 10837 B12R0.1 CCNC(=O)COCCOCCI 34a_100012149058_100000183381 [0,2,0,0,0,0|2,0,0]=4 10838 B12R0.1 CCNC(=O)COCCOCCI 7a_100012149058_100000183381 [0,2,0,0,0,0|2,0,0]=4 10839 B12R0.1 CCNC(=O)COCCOCCN 34a_100000211614_100000183381 [0,2,0,0,0,0|2,0,0]=4 10840 B12R0.1 CCNC(=O)COCCOCCO 240690a_100015525214_106645077154 [0,2,0,0,0,0|2,0,0]=4 10841 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000183381_100000729378 [0,2,0,0,0,0|1,1,0]=4 10842 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000729378_100000183381 [0,2,0,0,0,0|1,1,0]=4 10843 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [0,2,0,0,0,0|1,1,0]=4 10844 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [0,2,0,0,0,0|1,1,0]=4 10845 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000183381_100000730899 [0,2,0,0,0,0|1,1,0]=4 10846 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000730899_100000183381 [0,2,0,0,0,0|1,1,0]=4 10847 B12R0.1 CCNC(=O)CSCCCOCC 62a_100000183381_100012232248 [0,2,0,0,0,0|1,1,0]=4 10848 B12R0.1 CCNC(=O)CSCCCOCC 62a_100012232248_100000183381 [0,2,0,0,0,0|1,1,0]=4 10849 B12R0.1 CCNC(=O)NCCCCCC#N 2708a_100000061152_100015525214 [0,2,0,0,0,0|2,0,0]=4 10850 B12R0.1 CCNC(=O)NCCCCCC#N 2708a_100015525214_100000061152 [0,2,0,0,0,0|2,0,0]=4 10851 B12R0.1 CCNC(=O)NCCCCCC#N 273464a_100000061152_100015525214 [0,2,0,0,0,0|2,0,0]=4 10852 B12R0.1 CCNC(=O)NCCCCCC#N 273464a_100015525214_100000061152 [0,2,0,0,0,0|2,0,0]=4 10853 B12R0.1 CCNC(=O)NCCCCCC#N 512a_100000061152_100015525214 [0,2,0,0,0,0|2,0,0]=4 10854 B12R0.1 CCNC(=O)NCCCCCC#N 512a_100015525214_100000061152 [0,2,0,0,0,0|2,0,0]=4 10855 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,2,0,0,0,0|2,0,0]=4 10856 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,2,0,0,0,0|2,0,0]=4 10857 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,2,0,0,0,0|2,0,0]=4 10858 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,2,0,0,0,0|2,0,0]=4 10859 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,2,0,0,0,0|2,0,0]=4 10860 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [0,2,0,0,0,0|2,0,0]=4 10861 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [0,2,0,0,0,0|2,0,0]=4 10862 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [0,2,0,0,0,0|2,0,0]=4 10863 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [0,2,0,0,0,0|2,0,0]=4 10864 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [0,2,0,0,0,0|2,0,0]=4 10865 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [0,2,0,0,0,0|2,0,0]=4 10866 B12R0.1 CCNC(=O)NCCOCCOC 2708a_100000745349_100015525214 [0,2,0,0,0,0|2,0,0]=4 10867 B12R0.1 CCNC(=O)NCCOCCOC 2708a_100015525214_100000745349 [0,2,0,0,0,0|2,0,0]=4 10868 B12R0.1 CCNC(=O)NCCOCCOC 273464a_100000745349_100015525214 [0,2,0,0,0,0|2,0,0]=4 10869 B12R0.1 CCNC(=O)NCCOCCOC 273464a_100015525214_100000745349 [0,2,0,0,0,0|2,0,0]=4 10870 B12R0.1 CCNC(=O)NCCOCCOC 512a_100000745349_100015525214 [0,2,0,0,0,0|2,0,0]=4 10871 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,2,0,0,0,0|2,0,0]=4 10872 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,2,0,0,0,0|1,0,0]=3 10873 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,2,0,0,0,0|2,0,0]=4 10874 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,2,0,0,0,0|2,0,0]=4 10875 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,2,0,0,0,0|2,0,0]=4 10876 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,2,0,0,0,0|2,0,0]=4 10877 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,2,0,0,0,0|2,0,0]=4 10878 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,2,0,0,0,0|2,0,0]=4 10879 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [0,2,0,0,0,0|2,0,0]=4 10880 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,2,0,0,0,0|2,0,0]=4 10881 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,2,0,0,0,0|2,0,0]=4 10882 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [0,2,0,0,0,0|2,0,0]=4 10883 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [0,2,0,0,0,0|2,0,0]=4 10884 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [0,2,0,0,0,0|2,0,0]=4 10885 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [0,2,0,0,0,0|2,0,0]=4 10886 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [0,2,0,0,0,0|2,0,0]=4 10887 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [0,2,0,0,0,0|2,0,0]=4 10888 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [0,2,0,0,0,0|2,0,0]=4 10889 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [0,2,0,0,0,0|2,0,0]=4 10890 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [0,2,0,0,0,0|2,0,0]=4 10891 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [0,2,0,0,0,0|2,0,0]=4 10892 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [0,2,0,0,0,0|2,0,0]=4 10893 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [0,2,0,0,0,0|2,0,0]=4 10894 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [0,2,0,0,0,0|2,0,0]=4 10895 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [0,2,0,0,0,0|2,0,0]=4 10896 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [0,2,0,0,0,0|2,0,0]=4 10897 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [0,2,0,0,0,0|2,0,0]=4 10898 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [0,2,0,0,0,0|2,0,0]=4 10899 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [0,2,0,0,0,0|2,0,0]=4 10900 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [0,2,0,0,0,0|2,0,0]=4 10901 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [0,2,0,0,0,0|2,0,0]=4 10902 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [0,2,0,0,0,0|2,0,0]=4 10903 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [0,2,0,0,0,0|2,0,0]=4 10904 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [0,2,0,0,0,0|2,0,0]=4 10905 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [0,2,0,0,0,0|2,0,0]=4 10906 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [0,2,0,0,0,0|2,0,0]=4 10907 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [0,2,0,0,0,0|2,0,0]=4 10908 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [0,2,0,0,0,0|2,0,0]=4 10909 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [0,2,0,0,0,0|2,0,0]=4 10910 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [0,2,0,0,0,0|2,0,0]=4 10911 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [0,2,0,0,0,0|2,0,0]=4 10912 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [0,2,0,0,0,0|2,0,0]=4 10913 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [0,2,0,0,0,0|2,0,0]=4 10914 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [0,2,0,0,0,0|2,0,0]=4 10915 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [0,2,0,0,0,0|2,0,0]=4 10916 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [0,2,0,0,0,0|2,0,0]=4 10917 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [0,2,0,0,0,0|2,0,0]=4 10918 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [0,2,0,0,0,0|2,0,0]=4 10919 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [0,2,0,0,0,0|2,0,0]=4 10920 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [0,2,0,0,0,0|2,0,0]=4 10921 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [0,2,0,0,0,0|2,0,0]=4 10922 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [0,2,0,0,0,0|2,0,0]=4 10923 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [0,2,0,0,0,0|2,0,0]=4 10924 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [0,2,0,0,0,0|2,0,0]=4 10925 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [0,2,0,0,0,0|2,0,0]=4 10926 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [0,2,0,0,0,0|2,0,0]=4 10927 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [0,2,0,0,0,0|2,0,0]=4 10928 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [0,2,0,0,0,0|2,0,0]=4 10929 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [0,2,0,0,0,0|2,0,0]=4 10930 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [0,2,0,0,0,0|2,0,0]=4 10931 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [0,2,0,0,0,0|2,0,0]=4 10932 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [0,2,0,0,0,0|2,0,0]=4 10933 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [0,2,0,0,0,0|2,0,0]=4 10934 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [0,2,0,0,0,0|2,0,0]=4 10935 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [0,2,0,0,0,0|2,0,0]=4 10936 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [0,2,0,0,0,0|2,0,0]=4 10937 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [0,2,0,0,0,0|2,0,0]=4 10938 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [0,2,0,0,0,0|2,0,0]=4 10939 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [0,2,0,0,0,0|2,0,0]=4 10940 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [0,2,0,0,0,0|2,0,0]=4 10941 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [0,2,0,0,0,0|2,0,0]=4 10942 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [0,2,0,0,0,0|2,0,0]=4 10943 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [0,2,0,0,0,0|2,0,0]=4 10944 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [0,2,0,0,0,0|2,0,0]=4 10945 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [0,2,0,0,0,0|2,0,0]=4 10946 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [0,2,0,0,0,0|2,0,0]=4 10947 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [0,2,0,0,0,0|2,0,0]=4 10948 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [0,2,0,0,0,0|1,0,0]=3 10949 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [0,2,0,0,0,0|1,0,0]=3 10950 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [0,2,0,0,0,0|1,0,0]=3 10951 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [0,2,0,0,0,0|1,0,0]=3 10952 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [0,2,0,0,0,0|1,0,0]=3 10953 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [0,2,0,0,0,0|1,0,0]=3 10954 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [0,2,0,0,0,0|1,0,0]=3 10955 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [0,2,0,0,0,0|1,0,0]=3 10956 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [0,2,0,0,0,0|1,0,0]=3 10957 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [0,2,0,0,0,0|1,0,0]=3 10958 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,2,0,0,0,0|1,0,0]=3 10959 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,2,0,0,0,0|1,0,0]=3 10960 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,2,0,0,0,0|1,0,0]=3 10961 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,2,0,0,0,0|1,0,0]=3 10962 B12R0.1 CCOC(=O)COCCCSCF 62a_100009893628_100015361967 [0,2,0,0,0,0|2,0,0]=4 10963 B12R0.1 CCOC(=O)COCCCSCF 62a_100015361967_100009893628 [0,2,0,0,0,0|2,0,0]=4 10964 B12R0.1 CCOC(=O)COCCNCCF 34a_100000724931_100000088970 [0,2,0,0,0,0|2,0,0]=4 10965 B12R0.1 CCOC(=O)COCCNCCO 2230a_100016997473_100000088970 [0,2,0,0,0,0|2,0,0]=4 10966 B12R0.1 CCOC(=O)COCCNCCO 34a_100016990907_100000088970 [0,2,0,0,0,0|2,0,0]=4 10967 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000211926_100000088970 [0,2,0,0,0,0|2,0,0]=4 10968 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000692535_100000188475 [0,2,0,0,0,0|2,0,0]=4 10969 B12R0.1 CCOC(=O)COCCOCCBr 7a_100000692535_100000188475 [0,2,0,0,0,0|2,0,0]=4 10970 B12R0.1 CCOC(=O)COCCOCCCl 34a_100011215305_100000188475 [0,2,0,0,0,0|2,0,0]=4 10971 B12R0.1 CCOC(=O)COCCOCCCl 7a_100011215305_100000188475 [0,2,0,0,0,0|2,0,0]=4 10972 B12R0.1 CCOC(=O)COCCOCCF 34a_200015357709_100000188475 [0,2,0,0,0,0|2,0,0]=4 10973 B12R0.1 CCOC(=O)COCCOCCF 7a_200015357709_100000188475 [0,2,0,0,0,0|2,0,0]=4 10974 B12R0.1 CCOC(=O)COCCOCCI 34a_100012149058_100000188475 [0,2,0,0,0,0|2,0,0]=4 10975 B12R0.1 CCOC(=O)COCCOCCI 7a_100012149058_100000188475 [0,2,0,0,0,0|2,0,0]=4 10976 B12R0.1 CCOC(=O)COCCOCCN 34a_100000210304_100000088970 [0,2,0,0,0,0|2,0,0]=4 10977 B12R0.1 CCOC(=O)COCCOCCN 34a_100000211614_100000188475 [0,2,0,0,0,0|2,0,0]=4 10978 B12R0.1 CCOC(=O)COCCSCCF 62a_100000088970_100011217306 [0,2,0,0,0,0|2,0,0]=4 10979 B12R0.1 CCOC(=O)COCCSCCF 62a_100011217306_100000088970 [0,2,0,0,0,0|2,0,0]=4 10980 B12R0.1 CCOC(=O)COCCSCCO 62a_100000088970_100000211926 [0,2,0,0,0,0|2,0,0]=4 10981 B12R0.1 CCOC(=O)COCCSCCO 62a_100000211926_100000088970 [0,2,0,0,0,0|2,0,0]=4 10982 B12R0.1 CCOC(=O)COCCSCOC 62a_100000088970_100000766300 [0,2,0,0,0,0|2,0,0]=4 10983 B12R0.1 CCOC(=O)COCCSCOC 62a_100000766300_100000088970 [0,2,0,0,0,0|2,0,0]=4 10984 B12R0.1 CCOC(=O)COCCSCSC 62a_100000088970_100011218213 [0,2,0,0,0,0|2,0,0]=4 10985 B12R0.1 CCOC(=O)COCCSCSC 62a_100011218213_100000088970 [0,2,0,0,0,0|2,0,0]=4 10986 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [0,2,0,0,0,0|1,1,0]=4 10987 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [0,2,0,0,0,0|1,1,0]=4 10988 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [0,2,0,0,0,0|1,1,0]=4 10989 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [0,2,0,0,0,0|1,1,0]=4 10990 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [0,2,0,0,0,0|1,1,0]=4 10991 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [0,2,0,0,0,0|1,1,0]=4 10992 B12R0.1 CCOC(=O)NCCOCCCF 34a_100000158857_100011934791 [0,2,0,0,0,0|2,0,0]=4 10993 B12R0.1 CCOC(=O)NCCOCCCO 34a_100000158857_100000230001 [0,2,0,0,0,0|2,0,0]=4 10994 B12R0.1 CCOC(=O)NCCOCCOC 34a_100000158857_100011201679 [0,2,0,0,0,0|2,0,0]=4 10995 B12R0.1 CCOC(=O)NCCOCCSC 34a_100000158857_100000212216 [0,2,0,0,0,0|2,0,0]=4 10996 B12R0.1 CCOC(=O)NCCOCCSC 7a_100000230434_200011445536 [0,2,0,0,0,0|2,0,0]=4 10997 B12R0.1 CCOC(=O)NCCSCCCF 62a_100011934791_200011445536 [0,2,0,0,0,0|2,0,0]=4 10998 B12R0.1 CCOC(=O)NCCSCCCO 62a_100011215043_200011445536 [0,2,0,0,0,0|2,0,0]=4 10999 B12R0.1 CCOC(=O)NCCSCCOC 62a_100000233755_200011445536 [0,2,0,0,0,0|2,0,0]=4 11000 B12R0.1 CCOC(=O)NCCSCCSC 62a_100000212216_200011445536 [0,2,0,0,0,0|2,0,0]=4 11001 B12R0.1 CCOC(=O)OCSCCCC#N 62a_100000687738_100000075025 [0,2,0,0,0,0|1,0,1]=4 11002 B12R0.1 CCOC(=O)OCSCCCC=O 62a_200011292268_100000075025 [0,2,0,0,0,0|1,0,1]=4 11003 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [0,2,0,0,0,0|1,0,0]=3 11004 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [0,2,0,0,0,0|1,0,0]=3 11005 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [0,2,0,0,0,0|1,0,0]=3 11006 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [0,2,0,0,0,0|1,0,0]=3 11007 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,2,0,0,0,0|2,0,0]=4 11008 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,2,0,0,0,0|2,0,0]=4 11009 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [0,2,0,0,0,0|2,0,0]=4 11010 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [0,2,0,0,0,0|2,0,0]=4 11011 B12R0.1 CCOCCCOCC(=O)NCO 34a_100000757476_100000185155 [0,2,0,0,0,0|2,0,0]=4 11012 B12R0.1 CCOCCCOCC(=O)NCO 7a_100000757476_100000185155 [0,2,0,0,0,0|2,0,0]=4 11013 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,2,0,0,0,0|1,0,0]=3 11014 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,2,0,0,0,0|1,0,0]=3 11015 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,2,0,0,0,0|1,0,0]=3 11016 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [0,2,0,0,0,0|1,1,0]=4 11017 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [0,2,0,0,0,0|1,1,0]=4 11018 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [0,2,0,0,0,0|2,0,0]=4 11019 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [0,2,0,0,0,0|2,0,0]=4 11020 B12R0.1 CCOCCOCCC(=O)CCO 1458a_100011216618_100011211534 [0,2,0,0,0,0|2,0,0]=4 11021 B12R0.1 CCOCCOCCC(=O)COC 1458a_100000210968_100011211534 [0,2,0,0,0,0|2,0,0]=4 11022 B12R0.1 CCOCCOCCC(=O)CSC 1458a_100000184570_100011211534 [0,2,0,0,0,0|2,0,0]=4 11023 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [0,2,0,0,0,0|2,0,0]=4 11024 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [0,2,0,0,0,0|2,0,0]=4 11025 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [0,2,0,0,0,0|2,0,0]=4 11026 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [0,2,0,0,0,0|2,0,0]=4 11027 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [0,2,0,0,0,0|1,0,0]=3 11028 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [0,2,0,0,0,0|2,0,0]=4 11029 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [0,2,0,0,0,0|2,0,0]=4 11030 B12R0.1 CCOCSCCNC(=O)OCC 62a_100000739092_200011445536 [0,2,0,0,0,0|2,0,0]=4 11031 B12R0.1 CCSCCCOCC(=O)NCO 34a_100011216438_100000185155 [0,2,0,0,0,0|2,0,0]=4 11032 B12R0.1 CCSCCCOCC(=O)NCO 7a_100011216438_100000185155 [0,2,0,0,0,0|2,0,0]=4 11033 B12R0.1 COCC(=O)CCCCCCC#N 1458a_100000210968_100009813337 [0,2,0,0,0,0|2,0,0]=4 11034 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,2,0,0,0,0|2,0,0]=4 11035 B12R0.1 COCC(=O)NCCCCCC#N 11a_100000061152_100000210968 [0,2,0,0,0,0|2,0,0]=4 11036 B12R0.1 COCC(=O)NCCCCCC#N 1626a_100000061152_100000210968 [0,2,0,0,0,0|2,0,0]=4 11037 B12R0.1 COCC(=O)NCCCCCC#N 240690a_100000061152_100000210968 [0,2,0,0,0,0|2,0,0]=4 11038 B12R0.1 COCC(=O)NCCCCCC#N 527a_100000061152_100000210968 [0,2,0,0,0,0|2,0,0]=4 11039 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,2,0,0,0,0|2,0,0]=4 11040 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,2,0,0,0,0|2,0,0]=4 11041 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,2,0,0,0,0|2,0,0]=4 11042 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,2,0,0,0,0|2,0,0]=4 11043 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [0,2,0,0,0,0|2,0,0]=4 11044 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,2,0,0,0,0|2,0,0]=4 11045 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 11046 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 11047 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 11048 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 11049 B12R0.1 COCCCCCNC(=O)CSC 11a_100000747528_100000184570 [0,2,0,0,0,0|2,0,0]=4 11050 B12R0.1 COCCCCCNC(=O)CSC 1626a_100000747528_100000184570 [0,2,0,0,0,0|2,0,0]=4 11051 B12R0.1 COCCCCCNC(=O)CSC 240690a_100000747528_100000184570 [0,2,0,0,0,0|2,0,0]=4 11052 B12R0.1 COCCCCCNC(=O)CSC 527a_100000747528_100000184570 [0,2,0,0,0,0|2,0,0]=4 11053 B12R0.1 COCCCCOCC(=O)NCO 34a_100000740925_100000185155 [0,2,0,0,0,0|2,0,0]=4 11054 B12R0.1 COCCOCCCC(=O)CCO 1458a_100011216618_100011216529 [0,2,0,0,0,0|2,0,0]=4 11055 B12R0.1 COCCOCCCC(=O)COC 1458a_100000210968_100011216529 [0,2,0,0,0,0|2,0,0]=4 11056 B12R0.1 COCCOCCCC(=O)CSC 1458a_100000184570_100011216529 [0,2,0,0,0,0|2,0,0]=4 11057 B12R0.1 COCCOCCNC(=O)CCO 240690a_100000745349_100011216618 [0,2,0,0,0,0|2,0,0]=4 11058 B12R0.1 COCCOCCNC(=O)COC 11a_100000745349_100000210968 [0,2,0,0,0,0|2,0,0]=4 11059 B12R0.1 COCCOCCNC(=O)COC 1626a_100000745349_100000210968 [0,2,0,0,0,0|2,0,0]=4 11060 B12R0.1 COCCOCCNC(=O)COC 240690a_100000745349_100000210968 [0,2,0,0,0,0|2,0,0]=4 11061 B12R0.1 COCCOCCNC(=O)COC 527a_100000745349_100000210968 [0,2,0,0,0,0|2,0,0]=4 11062 B12R0.1 COCCOCCNC(=O)CSC 11a_100000745349_100000184570 [0,2,0,0,0,0|2,0,0]=4 11063 B12R0.1 COCCOCCNC(=O)CSC 1626a_100000745349_100000184570 [0,2,0,0,0,0|2,0,0]=4 11064 B12R0.1 COCCOCCNC(=O)CSC 240690a_100000745349_100000184570 [0,2,0,0,0,0|2,0,0]=4 11065 B12R0.1 COCCOCCNC(=O)CSC 527a_100000745349_100000184570 [0,2,0,0,0,0|2,0,0]=4 11066 B12R0.1 CSCC(=O)CCCCCCC#N 1458a_100000184570_100009813337 [0,2,0,0,0,0|2,0,0]=4 11067 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,2,0,0,0,0|2,0,0]=4 11068 B12R0.1 CSCC(=O)NCCCCCC#N 11a_100000061152_100000184570 [0,2,0,0,0,0|2,0,0]=4 11069 B12R0.1 CSCC(=O)NCCCCCC#N 1626a_100000061152_100000184570 [0,2,0,0,0,0|2,0,0]=4 11070 B12R0.1 CSCC(=O)NCCCCCC#N 240690a_100000061152_100000184570 [0,2,0,0,0,0|2,0,0]=4 11071 B12R0.1 CSCC(=O)NCCCCCC#N 527a_100000061152_100000184570 [0,2,0,0,0,0|2,0,0]=4 11072 B12R0.1 CSCC(=O)NCCCCCCO 240690a_100000686447_100000184570 [0,2,0,0,0,0|2,0,0]=4 11073 B12R0.1 CSCC(=O)NCCCCCCO 527a_100000686447_100000184570 [0,2,0,0,0,0|2,0,0]=4 11074 B12R0.1 CSCCCCOCC(=O)NCO 34a_100011217163_100000185155 [0,2,0,0,0,0|2,0,0]=4 11075 B12R0.1 CSCCCCOCC(=O)NCO 7a_100011217163_100000185155 [0,2,0,0,0,0|2,0,0]=4 11076 B12R0.1 N#CCCCCCCC(=O)CCO 1458a_100011216618_100009813337 [0,2,0,0,0,0|2,0,0]=4 11077 B12R0.1 N#CCCCCCNC(=O)CCO 240690a_100000061152_100011216618 [0,2,0,0,0,0|2,0,0]=4 11078 B12R0.1 NCCCCCOCC(=O)NCO 34a_100000762737_100000185155 [0,2,0,0,0,0|2,0,0]=4 11079 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,2,0,0,0,0|2,0,0]=4 11080 B12R0.1 O=C(CCF)COCCOCCO 1458a_106645077154_100011217306 [0,2,0,0,0,0|2,0,0]=4 11081 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,2,0,0,0,0|2,0,0]=4 11082 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,2,0,0,0,0|2,0,0]=4 11083 B12R0.1 O=C(CCO)COCCOCCO 1458a_106645077154_100000211926 [0,2,0,0,0,0|2,0,0]=4 11084 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,2,0,0,0,0|2,0,0]=4 11085 B12R0.1 O=C(COCCCCCBr)NCO 34a_100000746331_100000185155 [0,2,0,0,0,0|2,0,0]=4 11086 B12R0.1 O=C(COCCCCCBr)NCO 7a_100000746331_100000185155 [0,2,0,0,0,0|2,0,0]=4 11087 B12R0.1 O=C(COCCCCCCl)NCO 34a_100000746330_100000185155 [0,2,0,0,0,0|2,0,0]=4 11088 B12R0.1 O=C(COCCCCCCl)NCO 7a_100000746330_100000185155 [0,2,0,0,0,0|2,0,0]=4 11089 B12R0.1 O=C(COCCCCCI)NCO 34a_200012148887_100000185155 [0,2,0,0,0,0|2,0,0]=4 11090 B12R0.1 O=C(COCCCCCI)NCO 7a_200012148887_100000185155 [0,2,0,0,0,0|2,0,0]=4 11091 B12R0.49 C#CCCCCCC(=O)C(C)CC 1458a_100000694772_100000758301 [0,2,0,0,0,0|1,0,1]=4 11092 B12R0.49 C#CCCCCCC(=O)C(C)CC 1458a_100011192722_100012094781 [0,2,0,0,0,0|1,0,1]=4 11093 B12R0.49 C#CCCCCCC(=O)C(O)CC 1458a_100011196387_100012094781 [0,2,0,0,0,0|1,0,1]=4 11094 B12R0.49 C#CCCCCNC(=O)C(C)CC 11a_100000706060_100011192722 [0,2,0,0,0,0|1,0,1]=4 11095 B12R0.49 C#CCCCCNC(=O)C(C)CC 1626a_100000706060_100011192722 [0,2,0,0,0,0|1,0,1]=4 11096 B12R0.49 C#CCCCCNC(=O)C(C)CC 240690a_100000706060_100011192722 [0,2,0,0,0,0|1,0,1]=4 11097 B12R0.49 C#CCCCCNC(=O)C(C)CC 527a_100000706060_100011192722 [0,2,0,0,0,0|1,0,1]=4 11098 B12R0.49 C#CCCCCNC(=O)C(O)CC 240690a_100000706060_100011196387 [0,2,0,0,0,0|1,0,1]=4 11099 B12R0.49 C=CCCCCCC(=O)C(C)CC 1458a_100011192722_100000700193 [0,2,0,0,0,0|1,0,1]=4 11100 B12R0.49 C=CCCCCCC(=O)C(C)CC 1458a_100011934241_100000758301 [0,2,0,0,0,0|1,0,1]=4 11101 B12R0.49 C=CCCCCCC(=O)C(O)CC 1458a_100011196387_100000700193 [0,2,0,0,0,0|1,0,1]=4 11102 B12R0.49 C=CCCCCNC(=O)C(C)CC 11a_100000703577_100011192722 [0,2,0,0,0,0|1,0,1]=4 11103 B12R0.49 C=CCCCCNC(=O)C(C)CC 1626a_100000703577_100011192722 [0,2,0,0,0,0|1,0,1]=4 11104 B12R0.49 C=CCCCCNC(=O)C(C)CC 240690a_100000703577_100011192722 [0,2,0,0,0,0|1,0,1]=4 11105 B12R0.49 C=CCCCCNC(=O)C(C)CC 527a_100000703577_100011192722 [0,2,0,0,0,0|1,0,1]=4 11106 B12R0.49 C=CCCCCNC(=O)C(O)CC 240690a_100000703577_100011196387 [0,2,0,0,0,0|1,0,1]=4 11107 B12R0.49 CC/C=C\CCOC(=O)C(C)OC 34a_200020655201_200000210301 [0,2,0,0,0,0|1,0,1]=4 11108 B12R0.49 CC/C=C\CCOC(=O)C(C)OC 7a_200020655201_200000210301 [0,2,0,0,0,0|1,0,1]=4 11109 B12R0.49 CC/C=C\CCOC(=O)C(C)O[13CH3] 34a_200020655201_200025704644 [0,2,0,0,0,0|1,0,1]=4 11110 B12R0.49 CC/C=C\CCOC(=O)C(C)O[13CH3] 7a_200020655201_200025704644 [0,2,0,0,0,0|1,0,1]=4 11111 B12R0.49 CCC(C)C(=O)CCCCCC#N 1458a_100011192722_100009813376 [0,2,0,0,0,0|1,0,1]=4 11112 B12R0.49 CCC(C)C(=O)CCCCCCF 1458a_100011192722_100015922095 [0,2,0,0,0,0|1,0,0]=3 11113 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011192722_100000766143 [0,2,0,0,0,0|1,0,0]=3 11114 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011996774_100000758301 [0,2,0,0,0,0|1,0,0]=3 11115 B12R0.49 CCC(C)C(=O)CCCCCOC 1458a_100011935119_100000758301 [0,2,0,0,0,0|1,0,0]=3 11116 B12R0.49 CCC(C)C(=O)CCOCCOC 1458a_100000745395_100000758301 [0,2,0,0,0,0|2,0,0]=4 11117 B12R0.49 CCC(C)C(=O)CCOCCOC 1458a_100011192722_100000695917 [0,2,0,0,0,0|2,0,0]=4 11118 B12R0.49 CCC(C)C(=O)NCCCCC#N 11a_100000751965_100011192722 [0,2,0,0,0,0|1,0,1]=4 11119 B12R0.49 CCC(C)C(=O)NCCCCC#N 1626a_100000751965_100011192722 [0,2,0,0,0,0|1,0,1]=4 11120 B12R0.49 CCC(C)C(=O)NCCCCC#N 240690a_100000751965_100011192722 [0,2,0,0,0,0|1,0,1]=4 11121 B12R0.49 CCC(C)C(=O)NCCCCC#N 527a_100000751965_100011192722 [0,2,0,0,0,0|1,0,1]=4 11122 B12R0.49 CCC(C)C(=O)NCCCCCO 240690a_100000762737_100011192722 [0,2,0,0,0,0|1,0,0]=3 11123 B12R0.49 CCC(C)C(=O)NCCOCCO 240690a_100000211614_100011192722 [0,2,0,0,0,0|2,0,0]=4 11124 B12R0.49 CCC(C)C(=O)NCCSCCO 240690a_100011219999_100011192722 [0,2,0,0,0,0|2,0,0]=4 11125 B12R0.49 CCC(C)C(=O)NCCSCCO 527a_100011219999_100011192722 [0,2,0,0,0,0|2,0,0]=4 11126 B12R0.49 CCC(C)C(=O)NNCCCOC 22a_100025702787_100011192722 [0,2,0,0,0,0|2,0,0]=4 11127 B12R0.49 CCC(C)C(C)OCCCCCF 7a_100011215189_100000729378 [0,2,0,0,0,0|1,0,1]=4 11128 B12R0.49 CCC(C)C(C)OCCCCCO 7a_100011215189_100000746330 [0,2,0,0,0,0|1,0,1]=4 11129 B12R0.49 CCC(C)C(C)OCCCCOC 7a_100011215189_100000730899 [0,2,0,0,0,0|1,0,1]=4 11130 B12R0.49 CCC(O)C(=O)CCCCCC#N 1458a_100011196387_100009813376 [0,2,0,0,0,0|1,0,1]=4 11131 B12R0.49 CCC(O)C(=O)CCCCCCF 1458a_100011196387_100015922095 [0,2,0,0,0,0|1,0,0]=3 11132 B12R0.49 CCC(O)C(=O)CCCCCCO 1458a_100011196387_100000766143 [0,2,0,0,0,0|1,0,0]=3 11133 B12R0.49 CCC(O)C(=O)CCOCCOC 1458a_100011196387_100000695917 [0,2,0,0,0,0|2,0,0]=4 11134 B12R0.49 CCC(O)C(=O)NCCCCC#N 240690a_100000751965_100011196387 [0,2,0,0,0,0|1,0,1]=4 11135 B12R0.49 CCC(O)C(=O)NCCCCCO 240690a_100000762737_100011196387 [0,2,0,0,0,0|1,0,0]=3 11136 B12R0.49 CCC(O)C(=O)NCCOCCO 240690a_100000211614_100011196387 [0,2,0,0,0,0|2,0,0]=4 11137 B12R0.49 CCC(O)C(=O)NCCSCCO 240690a_100011219999_100011196387 [0,2,0,0,0,0|2,0,0]=4 11138 B12R0.49 CCC(O)C(=O)NNCCCOC 22a_100025702787_100011196387 [0,2,0,0,0,0|2,0,0]=4 11139 B12R0.49 CCCC/C=C/CC(=O)C(C)CC 1458a_200016282684_100000758301 [0,2,0,0,0,0|1,0,1]=4 11140 B12R0.49 CCCCC=NNC(=O)C(C)CC 4a_100000740736_100000210104 [0,2,0,0,0,0|1,0,1]=4 11141 B12R0.49 CCCCCC#CC(=O)C(C)CC 1458a_100011215388_100000758301 [0,2,0,0,0,0|1,0,0]=3 11142 B12R0.49 CCCCCC#CC(=O)N(C)CC 240690a_100000225621_100011215388 [0,2,0,0,0,0|2,0,0]=4 11143 B12R0.49 CCCCCC=CC(=O)C(C)CC 1458a_100016263427_100000758301 [0,2,0,0,0,0|1,0,0]=3 11144 B12R0.49 CCCCCC=CC(=O)N(C)CC 11a_100000225621_100016263427 [0,2,0,0,0,0|2,0,0]=4 11145 B12R0.49 CCCCCC=CC(=O)N(C)CC 1626a_100000225621_100016263427 [0,2,0,0,0,0|2,0,0]=4 11146 B12R0.49 CCCCCC=CC(=O)N(C)CC 240690a_100000225621_100016263427 [0,2,0,0,0,0|2,0,0]=4 11147 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [0,2,0,0,0,0|1,0,0]=3 11148 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [0,2,0,0,0,0|1,0,0]=3 11149 B12R0.49 CCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210614 [0,2,0,0,0,0|2,0,0]=4 11150 B12R0.49 CCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210614 [0,2,0,0,0,0|2,0,0]=4 11151 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [0,2,0,0,0,0|1,0,0]=3 11152 B12R0.49 CCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210614 [0,2,0,0,0,0|2,0,0]=4 11153 B12R0.49 CCCCCCCC(=O)N(C)CC 11a_100000225621_100000211969 [0,2,0,0,0,0|2,0,0]=4 11154 B12R0.49 CCCCCCCC(=O)N(C)CC 1626a_100000225621_100000211969 [0,2,0,0,0,0|2,0,0]=4 11155 B12R0.49 CCCCCCCC(=O)N(C)CC 240690a_100000225621_100000211969 [0,2,0,0,0,0|2,0,0]=4 11156 B12R0.49 CCCCCCCC(=O)N(C)CC 527a_100000225621_100000211969 [0,2,0,0,0,0|2,0,0]=4 11157 B12R0.49 CCCCCCNC(=O)C(C)CC 11a_100000210581_100011192722 [0,2,0,0,0,0|1,0,0]=3 11158 B12R0.49 CCCCCCNC(=O)C(C)CC 1626a_100000210581_100011192722 [0,2,0,0,0,0|1,0,0]=3 11159 B12R0.49 CCCCCCNC(=O)C(C)CC 240690a_100000210581_100011192722 [0,2,0,0,0,0|1,0,0]=3 11160 B12R0.49 CCCCCCNC(=O)C(C)CC 527a_100000210581_100011192722 [0,2,0,0,0,0|1,0,0]=3 11161 B12R0.49 CCCCCCNC(=O)C(C)OC 11a_100000210581_100000743197 [0,2,0,0,0,0|2,0,0]=4 11162 B12R0.49 CCCCCCNC(=O)C(C)OC 1626a_100000210581_100000743197 [0,2,0,0,0,0|2,0,0]=4 11163 B12R0.49 CCCCCCNC(=O)C(C)OC 240690a_100000210581_100000743197 [0,2,0,0,0,0|2,0,0]=4 11164 B12R0.49 CCCCCCNC(=O)C(C)OC 527a_100000210581_100000743197 [0,2,0,0,0,0|2,0,0]=4 11165 B12R0.49 CCCCCCNC(=O)C(C)SC 11a_100000210581_100000149566 [0,2,0,0,0,0|2,0,0]=4 11166 B12R0.49 CCCCCCNC(=O)C(C)SC 1626a_100000210581_100000149566 [0,2,0,0,0,0|2,0,0]=4 11167 B12R0.49 CCCCCCNC(=O)C(C)SC 240690a_100000210581_100000149566 [0,2,0,0,0,0|2,0,0]=4 11168 B12R0.49 CCCCCCNC(=O)C(C)SC 527a_100000210581_100000149566 [0,2,0,0,0,0|2,0,0]=4 11169 B12R0.49 CCCCCCNC(=O)C(O)CC 240690a_100000210581_100011196387 [0,2,0,0,0,0|1,0,0]=3 11170 B12R0.49 CCCCCCNC(=O)C(O)CO 240690a_100000210581_100011215603 [0,2,0,0,0,0|2,0,0]=4 11171 B12R0.49 CCCCCCNC(=O)N(C)CC 2708a_100000210581_100000225621 [0,2,0,0,0,0|2,0,0]=4 11172 B12R0.49 CCCCCCNC(=O)N(C)CC 273464a_100000210581_100000225621 [0,2,0,0,0,0|2,0,0]=4 11173 B12R0.49 CCCCCCOC(C)C(C)CC 7a_100011215189_100000210314 [0,2,0,0,0,0|1,0,1]=4 11174 B12R0.49 CCCCCNCC(=O)N(C)CC 2230a_100000209983_100000738999 [0,2,0,0,0,0|2,0,0]=4 11175 B12R0.49 CCCCCNN=C(C)C(C)CC 4a_100000694160_100000210599 [0,2,0,0,0,0|2,0,0]=4 11176 B12R0.49 CCCCCNNC(=O)C(C)CC 22a_100000694160_100011192722 [0,2,0,0,0,0|1,0,0]=3 11177 B12R0.49 CCCCCNNC(=O)C(C)OC 22a_100000694160_100000743197 [0,2,0,0,0,0|2,0,0]=4 11178 B12R0.49 CCCCCNNC(=O)C(C)SC 22a_100000694160_100000149566 [0,2,0,0,0,0|2,0,0]=4 11179 B12R0.49 CCCCCNNC(=O)C(O)CC 22a_100000694160_100011196387 [0,2,0,0,0,0|1,0,0]=3 11180 B12R0.49 CCCCCNNC(=O)C(O)CO 22a_100000694160_100011215603 [0,2,0,0,0,0|2,0,0]=4 11181 B12R0.49 CCCCCOCC(=O)C(=O)OC 34a_100000210253_100011610305 [0,2,0,0,0,0|1,0,1]=4 11182 B12R0.49 CCCCCOCC(=O)N(C)CC 34a_100000210253_100000738999 [0,2,0,0,0,0|1,0,0]=3 11183 B12R0.49 CCCCCOCC(=O)N(C)CC 7a_100000210253_100000738999 [0,2,0,0,0,0|1,0,0]=3 11184 B12R0.49 CCCCCOCC(=O)N(C)OC 7a_100000210253_100000764215 [0,2,0,0,0,0|2,0,0]=4 11185 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000210326_100000738999 [0,2,0,0,0,0|1,1,0]=4 11186 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000738999_100000210326 [0,2,0,0,0,0|1,1,0]=4 11187 B12R0.49 CCCCOCCC(=O)C(C)CC 1458a_100011192722_100000743108 [0,2,0,0,0,0|1,0,0]=3 11188 B12R0.49 CCCCOCCC(=O)C(C)OC 1458a_100000743197_100000743108 [0,2,0,0,0,0|2,0,0]=4 11189 B12R0.49 CCCCOCCC(=O)C(C)SC 1458a_100000149566_100000743108 [0,2,0,0,0,0|2,0,0]=4 11190 B12R0.49 CCCCOCCC(=O)C(O)CC 1458a_100011196387_100000743108 [0,2,0,0,0,0|1,0,0]=3 11191 B12R0.49 CCCCOCCC(=O)C(O)CO 1458a_100011215603_100000743108 [0,2,0,0,0,0|2,0,0]=4 11192 B12R0.49 CCCOCCNC(=O)C(C)CC 1626a_100161115042_100011192722 [0,2,0,0,0,0|1,0,0]=3 11193 B12R0.49 CCCOCCNC(=O)C(C)CC 240690a_100161115042_100011192722 [0,2,0,0,0,0|1,0,0]=3 11194 B12R0.49 CCCOCCNC(=O)C(C)CC 527a_100161115042_100011192722 [0,2,0,0,0,0|1,0,0]=3 11195 B12R0.49 CCCOCCNC(=O)C(C)OC 1626a_100161115042_100000743197 [0,2,0,0,0,0|2,0,0]=4 11196 B12R0.49 CCCOCCNC(=O)C(C)OC 240690a_100161115042_100000743197 [0,2,0,0,0,0|2,0,0]=4 11197 B12R0.49 CCCOCCNC(=O)C(C)OC 527a_100161115042_100000743197 [0,2,0,0,0,0|2,0,0]=4 11198 B12R0.49 CCCOCCNC(=O)C(C)SC 1626a_100161115042_100000149566 [0,2,0,0,0,0|2,0,0]=4 11199 B12R0.49 CCCOCCNC(=O)C(C)SC 240690a_100161115042_100000149566 [0,2,0,0,0,0|2,0,0]=4 11200 B12R0.49 CCCOCCNC(=O)C(C)SC 527a_100161115042_100000149566 [0,2,0,0,0,0|2,0,0]=4 11201 B12R0.49 CCCOCCNC(=O)C(O)CC 240690a_100161115042_100011196387 [0,2,0,0,0,0|1,0,0]=3 11202 B12R0.49 CCCOCCNC(=O)C(O)CO 240690a_100161115042_100011215603 [0,2,0,0,0,0|2,0,0]=4 11203 B12R0.49 CCCOCCNC(=O)N(C)CC 2708a_100161115042_100000225621 [0,2,0,0,0,0|2,0,0]=4 11204 B12R0.49 CCCOCCNC(=O)N(C)CC 273464a_100161115042_100000225621 [0,2,0,0,0,0|2,0,0]=4 11205 B12R0.49 CCCOCCOC(C)C(C)CC 7a_100011215189_100011215938 [0,2,0,0,0,0|1,0,1]=4 11206 B12R0.49 CCCSCCNC(=O)C(C)CC 11a_100020603323_100011192722 [0,2,0,0,0,0|1,0,0]=3 11207 B12R0.49 CCCSCCNC(=O)C(C)CC 240690a_100020603323_100011192722 [0,2,0,0,0,0|1,0,0]=3 11208 B12R0.49 CCCSCCNC(=O)C(C)CC 527a_100020603323_100011192722 [0,2,0,0,0,0|1,0,0]=3 11209 B12R0.49 CCCSCCNC(=O)C(C)OC 11a_100020603323_100000743197 [0,2,0,0,0,0|2,0,0]=4 11210 B12R0.49 CCCSCCNC(=O)C(C)OC 240690a_100020603323_100000743197 [0,2,0,0,0,0|2,0,0]=4 11211 B12R0.49 CCCSCCNC(=O)C(C)OC 527a_100020603323_100000743197 [0,2,0,0,0,0|2,0,0]=4 11212 B12R0.49 CCCSCCNC(=O)C(C)SC 11a_100020603323_100000149566 [0,2,0,0,0,0|2,0,0]=4 11213 B12R0.49 CCCSCCNC(=O)C(C)SC 240690a_100020603323_100000149566 [0,2,0,0,0,0|2,0,0]=4 11214 B12R0.49 CCCSCCNC(=O)C(C)SC 527a_100020603323_100000149566 [0,2,0,0,0,0|2,0,0]=4 11215 B12R0.49 CCCSCCNC(=O)C(O)CC 240690a_100020603323_100011196387 [0,2,0,0,0,0|1,0,0]=3 11216 B12R0.49 CCCSCCNC(=O)C(O)CO 240690a_100020603323_100011215603 [0,2,0,0,0,0|2,0,0]=4 11217 B12R0.49 CCCSCCNC(=O)N(C)CC 2708a_100020603323_100000225621 [0,2,0,0,0,0|2,0,0]=4 11218 B12R0.49 CCCSCCNC(=O)N(C)CC 273464a_100020603323_100000225621 [0,2,0,0,0,0|2,0,0]=4 11219 B12R0.49 CCN(C)C(=O)CCCCCCO 240690a_100000225621_100011996774 [0,2,0,0,0,0|2,0,0]=4 11220 B12R0.49 CCN(C)C(=O)CCCCCOC 11a_100000225621_100011935119 [0,2,0,0,0,0|2,0,0]=4 11221 B12R0.49 CCN(C)C(=O)CCCCCOC 1626a_100000225621_100011935119 [0,2,0,0,0,0|2,0,0]=4 11222 B12R0.49 CCN(C)C(=O)CCCCCOC 240690a_100000225621_100011935119 [0,2,0,0,0,0|2,0,0]=4 11223 B12R0.49 CCN(C)C(=O)CCCCCOC 527a_100000225621_100011935119 [0,2,0,0,0,0|2,0,0]=4 11224 B12R0.49 CCN(C)C(=O)COCCCCBr 34a_100011216708_100000738999 [0,2,0,0,0,0|2,0,0]=4 11225 B12R0.49 CCN(C)C(=O)COCCCCCl 34a_100000210776_100000738999 [0,2,0,0,0,0|2,0,0]=4 11226 B12R0.49 CCN(C)C(=O)COCCCCCl 7a_100000210776_100000738999 [0,2,0,0,0,0|2,0,0]=4 11227 B12R0.49 CCN(C)C(=O)COCCCCF 34a_100011995726_100000738999 [0,2,0,0,0,0|2,0,0]=4 11228 B12R0.49 CCN(C)C(=O)COCCCCF 7a_100011995726_100000738999 [0,2,0,0,0,0|2,0,0]=4 11229 B12R0.49 CCN(C)C(=O)COCCCCI 34a_200012148704_100000738999 [0,2,0,0,0,0|2,0,0]=4 11230 B12R0.49 CCN(C)C(=O)COCCCCN 34a_100000750430_100000738999 [0,2,0,0,0,0|2,0,0]=4 11231 B12R0.49 CCN(C)C(=O)COCCCNC 34a_100000213112_100000738999 [0,2,0,0,0,0|2,0,0]=4 11232 B12R0.49 CCN(C)C(=O)COCCCOC 34a_100000740835_100000738999 [0,2,0,0,0,0|2,0,0]=4 11233 B12R0.49 CCN(C)C(=O)COCCCSC 34a_100000690336_100000738999 [0,2,0,0,0,0|2,0,0]=4 11234 B12R0.49 CCN(C)C(=O)COCCCSC 7a_100000690336_100000738999 [0,2,0,0,0,0|2,0,0]=4 11235 B12R0.49 CCN(C)C(=O)NCCCCCO 273464a_100000762737_100000225621 [0,2,0,0,0,0|2,0,0]=4 11236 B12R0.49 CCOCCCNC(=O)C(C)CC 11a_100000210961_100011192722 [0,2,0,0,0,0|1,0,0]=3 11237 B12R0.49 CCOCCCNC(=O)C(C)CC 1626a_100000210961_100011192722 [0,2,0,0,0,0|1,0,0]=3 11238 B12R0.49 CCOCCCNC(=O)C(C)CC 240690a_100000210961_100011192722 [0,2,0,0,0,0|1,0,0]=3 11239 B12R0.49 CCOCCCNC(=O)C(C)CC 527a_100000210961_100011192722 [0,2,0,0,0,0|1,0,0]=3 11240 B12R0.49 CCOCCCNC(=O)C(C)NC 2230a_106832991635_100000735933 [0,2,0,0,0,0|2,0,0]=4 11241 B12R0.49 CCOCCCNC(=O)C(C)NC 7a_106832991635_100000735933 [0,2,0,0,0,0|2,0,0]=4 11242 B12R0.49 CCOCCCNC(=O)C(C)OC 11a_100000210961_100000743197 [0,2,0,0,0,0|2,0,0]=4 11243 B12R0.49 CCOCCCNC(=O)C(C)OC 1626a_100000210961_100000743197 [0,2,0,0,0,0|2,0,0]=4 11244 B12R0.49 CCOCCCNC(=O)C(C)OC 240690a_100000210961_100000743197 [0,2,0,0,0,0|2,0,0]=4 11245 B12R0.49 CCOCCCNC(=O)C(C)OC 527a_100000210961_100000743197 [0,2,0,0,0,0|2,0,0]=4 11246 B12R0.49 CCOCCCNC(=O)C(C)SC 11a_100000210961_100000149566 [0,2,0,0,0,0|2,0,0]=4 11247 B12R0.49 CCOCCCNC(=O)C(C)SC 1626a_100000210961_100000149566 [0,2,0,0,0,0|2,0,0]=4 11248 B12R0.49 CCOCCCNC(=O)C(C)SC 240690a_100000210961_100000149566 [0,2,0,0,0,0|2,0,0]=4 11249 B12R0.49 CCOCCCNC(=O)C(C)SC 527a_100000210961_100000149566 [0,2,0,0,0,0|2,0,0]=4 11250 B12R0.49 CCOCCCNC(=O)C(C)SC 62a_100000735933_200000210301 [0,2,0,0,0,0|2,0,0]=4 11251 B12R0.49 CCOCCCNC(=O)C(C)SC 62a_200000210301_100000735933 [0,2,0,0,0,0|2,0,0]=4 11252 B12R0.49 CCOCCCNC(=O)C(C)S[13CH3] 62a_100000735933_200025704644 [0,2,0,0,0,0|2,0,0]=4 11253 B12R0.49 CCOCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735933 [0,2,0,0,0,0|2,0,0]=4 11254 B12R0.49 CCOCCCNC(=O)C(O)CC 240690a_100000210961_100011196387 [0,2,0,0,0,0|1,0,0]=3 11255 B12R0.49 CCOCCCNC(=O)C(O)CO 240690a_100000210961_100011215603 [0,2,0,0,0,0|2,0,0]=4 11256 B12R0.49 CCOCCCNC(=O)N(C)CC 2708a_100000210961_100000225621 [0,2,0,0,0,0|2,0,0]=4 11257 B12R0.49 CCOCCCNC(=O)N(C)CC 273464a_100000210961_100000225621 [0,2,0,0,0,0|2,0,0]=4 11258 B12R0.49 CCOCCCOC(C)C(C)CC 7a_100011215189_100012232248 [0,2,0,0,0,0|1,0,1]=4 11259 B12R0.49 CCOCCNNC(=O)C(C)CC 22a_100000732670_100011192722 [0,2,0,0,0,0|2,0,0]=4 11260 B12R0.49 CCOCCNNC(=O)C(O)CC 22a_100000732670_100011196387 [0,2,0,0,0,0|2,0,0]=4 11261 B12R0.49 CCOCCOCC(=O)N(C)CC 34a_100000210136_100000738999 [0,2,0,0,0,0|2,0,0]=4 11262 B12R0.49 CCOCCOCC(=O)N(C)CC 7a_100000210136_100000738999 [0,2,0,0,0,0|2,0,0]=4 11263 B12R0.49 CCSCCOCC(=O)N(C)CC 34a_100000212035_100000738999 [0,2,0,0,0,0|2,0,0]=4 11264 B12R0.49 CCSCCOCC(=O)N(C)CC 7a_100000212035_100000738999 [0,2,0,0,0,0|2,0,0]=4 11265 B12R0.49 COC(C)C(=O)CCCCCCF 1458a_100000743197_100015922095 [0,2,0,0,0,0|2,0,0]=4 11266 B12R0.49 COC(C)C(=O)CCCCCCO 1458a_100000743197_100000766143 [0,2,0,0,0,0|2,0,0]=4 11267 B12R0.49 COC(C)C(=O)NCCCCCO 240690a_100000762737_100000743197 [0,2,0,0,0,0|2,0,0]=4 11268 B12R0.49 CSC(C)C(=O)CCCCCCF 1458a_100000149566_100015922095 [0,2,0,0,0,0|2,0,0]=4 11269 B12R0.49 CSC(C)C(=O)CCCCCCO 1458a_100000149566_100000766143 [0,2,0,0,0,0|2,0,0]=4 11270 B12R0.49 CSC(C)C(=O)NCCCCCO 240690a_100000762737_100000149566 [0,2,0,0,0,0|2,0,0]=4 11271 B12R0.49 O=C(CCCCCCF)C(O)CO 1458a_100011215603_100015922095 [0,2,0,0,0,0|2,0,0]=4 11272 B12R0.49 O=C(CCCCCCO)C(O)CO 1458a_100011215603_100000766143 [0,2,0,0,0,0|2,0,0]=4 11273 B12R0.49 O=C(NCCCCCO)C(O)CO 240690a_100000762737_100011215603 [0,2,0,0,0,0|2,0,0]=4 11274 B12R0.101 C#CCCC(=O)COC(=O)CCC 1458a_100000692101_100000034017 [0,2,0,0,0,0|0,0,2]=4 11275 B12R0.101 C=CCCC(=O)COC(=O)CCC 1458a_100000749702_100000034017 [0,2,0,0,0,0|0,0,2]=4 11276 B12R0.101 C=CCCC(C)OCC(=O)CCC 7a_100000765329_100000747444 [0,2,0,0,0,0|0,0,2]=4 11277 B12R0.101 C=CCCN(C)COC(=O)CCC 2230a_100020639649_100000034017 [0,2,0,0,0,0|0,0,2]=4 11278 B12R0.101 C=CCCN(C)COC(=O)CCC 269982a_100020639649_100000034017 [0,2,0,0,0,0|0,0,2]=4 11279 B12R0.101 CC=CCC(=O)COC(=O)CCC 1458a_100121576822_100000034017 [0,2,0,0,0,0|0,0,2]=4 11280 B12R0.101 CCC#CC(=O)COC(=O)CCC 1458a_100011827653_100000034017 [0,2,0,0,0,0|0,0,2]=4 11281 B12R0.101 CCC#CC(C)OCC(=O)CCC 7a_100000033903_100000747444 [0,2,0,0,0,0|0,0,2]=4 11282 B12R0.101 CCC=CC(=O)COC(=O)CCC 1458a_100000212282_100000034017 [0,2,0,0,0,0|0,0,2]=4 11283 B12R0.101 CCCC(=O)CCN(C)CCOC 1458a_200103286627_100000210303 [0,2,0,0,0,0|2,0,0]=4 11284 B12R0.101 CCCC(=O)COC(C)CCCCl 7a_200000718107_100000747444 [0,2,0,0,0,0|1,0,0]=3 11285 B12R0.101 CCCC(=O)COC(C)COCC 7a_100000718985_100000747444 [0,2,0,0,0,0|1,0,0]=3 11286 B12R0.101 CCCC(=O)NCC(O)COCC 240690a_102515437182_100000211992 [0,2,0,0,0,0|1,0,0]=3 11287 B12R0.101 CCCC(=O)NCC(O)COCC 527a_102515437182_100000211992 [0,2,0,0,0,0|1,0,0]=3 11288 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000211992 [0,2,0,0,0,0|1,0,0]=3 11289 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000211992 [0,2,0,0,0,0|1,0,0]=3 11290 B12R0.101 CCCC(=O)OCC(=O)CCC#N 1458a_100011934036_100000034017 [0,2,0,0,0,0|0,0,2]=4 11291 B12R0.101 CCCC(=O)OCC(=O)CCOC 1458a_100000749529_100000034017 [0,2,0,0,0,0|0,0,1]=3 11292 B12R0.101 CCCC(=O)OCC(=O)CCSC 1458a_100000174002_100000034017 [0,2,0,0,0,0|0,0,1]=3 11293 B12R0.101 CCCC(=O)OCC(=O)COCC 1458a_100000211967_100000034017 [0,2,0,0,0,0|0,0,1]=3 11294 B12R0.101 CCCC(=O)OCC(=O)CSCC 1458a_100000230394_100000034017 [0,2,0,0,0,0|0,0,1]=3 11295 B12R0.101 CCCC(=O)OCN(C)CCC#N 2230a_100000184479_100000034017 [0,2,0,0,0,0|1,0,1]=4 11296 B12R0.101 CCCC(=O)OCN(C)CCCO 2230a_100000213112_100000034017 [0,2,0,0,0,0|1,0,0]=3 11297 B12R0.101 CCCC(=O)OCN(C)CCCO 269982a_100000213112_100000034017 [0,2,0,0,0,0|1,0,0]=3 11298 B12R0.101 CCCC(=O)OCN(C)CCOC 2230a_100000743101_100000034017 [0,2,0,0,0,0|1,0,0]=3 11299 B12R0.101 CCCC(=O)OCN(C)CCOC 269982a_100000743101_100000034017 [0,2,0,0,0,0|1,0,0]=3 11300 B12R0.101 CCCC(=O)OCN(C)CCSC 2230a_100000686725_100000034017 [0,2,0,0,0,0|1,0,0]=3 11301 B12R0.101 CCCC(=O)OCN(C)CCSC 269982a_100000686725_100000034017 [0,2,0,0,0,0|1,0,0]=3 11302 B12R0.101 CCCC(C)COC(C)CCCCl 34a_200000718107_100011216630 [0,2,0,0,0,0|1,0,1]=4 11303 B12R0.101 CCCC(C)COC(C)CCCCl 7a_200000718107_100011216630 [0,2,0,0,0,0|1,0,1]=4 11304 B12R0.101 CCCC(C)COC(C)COCC 34a_100000718985_100011216630 [0,2,0,0,0,0|1,0,1]=4 11305 B12R0.101 CCCC(C)COC(C)COCC 7a_100000718985_100011216630 [0,2,0,0,0,0|1,0,1]=4 11306 B12R0.101 CCCC(C)OC[C@@H](N)CCSC 34a_100011827619_100000766640 [0,2,0,0,0,0|1,0,1]=4 11307 B12R0.101 CCCCC(=NNC(=O)CCC)C 4a_100000189770_100000210087 [0,2,0,0,0,0|1,0,1]=4 11308 B12R0.101 CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210211 [0,2,0,0,0,0|2,0,0]=4 11309 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [0,2,0,0,0,0|2,0,0]=4 11310 B12R0.101 CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210211 [0,2,0,0,0,0|2,0,0]=4 11311 B12R0.101 CCCCC(=O)COC(=O)CCC 1458a_100000210183_100000034017 [0,2,0,0,0,0|0,0,0]=2 11312 B12R0.101 CCCCC(=O)NCC(O)COC 240690a_100000756049_100000210183 [0,2,0,0,0,0|2,0,0]=4 11313 B12R0.101 CCCCC(=O)NCC(O)COC 527a_100000756049_100000210183 [0,2,0,0,0,0|2,0,0]=4 11314 B12R0.101 CCCCC(=O)NNC(=O)CCC 22a_100000189769_100000211992 [0,2,0,0,0,0|1,0,1]=4 11315 B12R0.101 CCCCC(=O)NNC(=O)CCC 22a_100000189770_100000210183 [0,2,0,0,0,0|1,0,1]=4 11316 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [0,2,0,0,0,0|1,0,0]=3 11317 B12R0.101 CCCCC(C)CCC(=O)CCF 1458a_100000033779_100011217306 [0,2,0,0,0,0|2,0,0]=4 11318 B12R0.101 CCCCC(C)CCC(=O)CCO 1458a_100000033779_100000211926 [0,2,0,0,0,0|2,0,0]=4 11319 B12R0.101 CCCCC(C)CCC(=O)NCC 11a_100015525214_100000033779 [0,2,0,0,0,0|2,0,0]=4 11320 B12R0.101 CCCCC(C)CCC(=O)NCC 240690a_100015525214_100000033779 [0,2,0,0,0,0|2,0,0]=4 11321 B12R0.101 CCCCC(C)CCC(=O)NCC 527a_100015525214_100000033779 [0,2,0,0,0,0|2,0,0]=4 11322 B12R0.101 CCCCC(C)COC(C)CCC 34a_100011995851_100000766640 [0,2,0,0,0,0|1,0,1]=4 11323 B12R0.101 CCCCC(C)COC(C)CCC 7a_100011995851_100000766640 [0,2,0,0,0,0|1,0,1]=4 11324 B12R0.101 CCCCC(C)NCC(=O)CCC 2230a_100000126638_100000747444 [0,2,0,0,0,0|1,0,0]=3 11325 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100000126638_100000183381 [0,2,0,0,0,0|2,0,0]=4 11326 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100016988866_200011215066 [0,2,0,0,0,0|2,0,0]=4 11327 B12R0.101 CCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210087 [0,2,0,0,0,0|2,0,0]=4 11328 B12R0.101 CCCCC(C)NCC(=O)OCC 2230a_100000126638_100000188475 [0,2,0,0,0,0|2,0,0]=4 11329 B12R0.101 CCCCC(C)OCC(=O)CCC 7a_100000687866_100000747444 [0,2,0,0,0,0|0,0,0]=2 11330 B12R0.101 CCCCC(C)OCC(=O)NCC 34a_100000687866_100000183381 [0,2,0,0,0,0|1,0,0]=3 11331 B12R0.101 CCCCC(C)OCC(=O)NCC 7a_100000687866_100000183381 [0,2,0,0,0,0|1,0,0]=3 11332 B12R0.101 CCCCC(C)OCC(=O)NCO 34a_100000687866_100000185155 [0,2,0,0,0,0|2,0,0]=4 11333 B12R0.101 CCCCC(C)OCC(=O)NCO 7a_100000687866_100000185155 [0,2,0,0,0,0|2,0,0]=4 11334 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [0,2,0,0,0,0|1,0,0]=3 11335 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [0,2,0,0,0,0|1,0,0]=3 11336 B12R0.101 CCCCC(C)OCC(C)CCC 34a_100000687866_100011216630 [0,2,0,0,0,0|1,0,1]=4 11337 B12R0.101 CCCCC(C)OCC(C)CCC 34a_100000688023_200011215066 [0,2,0,0,0,0|1,0,1]=4 11338 B12R0.101 CCCCC(C)OCC(C)CCC 7a_100000687866_100011216630 [0,2,0,0,0,0|1,0,1]=4 11339 B12R0.101 CCCCC(C)OCC(C)CCC 7a_100000688023_200011215066 [0,2,0,0,0,0|1,0,1]=4 11340 B12R0.101 CCCCC(C)OC[C@@H](N)CCC 34a_100000732646_200011215066 [0,2,0,0,0,0|1,0,1]=4 11341 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_100000747444_200011215066 [0,2,0,0,0,0|0,1,0]=3 11342 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_200011215066_100000747444 [0,2,0,0,0,0|0,1,0]=3 11343 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_100000183381_200011215066 [0,2,0,0,0,0|1,1,0]=4 11344 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_200011215066_100000183381 [0,2,0,0,0,0|1,1,0]=4 11345 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_100000188475_200011215066 [0,2,0,0,0,0|1,1,0]=4 11346 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_200011215066_100000188475 [0,2,0,0,0,0|1,1,0]=4 11347 B12R0.101 CCCCN(C)CCC(=O)NCC 2230a_100000207549_100000737597 [0,2,0,0,0,0|2,0,0]=4 11348 B12R0.101 CCCCN(C)CCC(=O)NCC 269982a_100000207549_100000737597 [0,2,0,0,0,0|2,0,0]=4 11349 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000207549_100011206558 [0,2,0,0,0,0|2,0,0]=4 11350 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210211 [0,2,0,0,0,0|2,0,0]=4 11351 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000207549_100011206558 [0,2,0,0,0,0|2,0,0]=4 11352 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210211 [0,2,0,0,0,0|2,0,0]=4 11353 B12R0.101 CCCCN(C)COC(=O)CCC 2230a_100000207549_100000034017 [0,2,0,0,0,0|0,0,0]=2 11354 B12R0.101 CCCCN(C)COC(=O)CCC 269982a_100000207549_100000034017 [0,2,0,0,0,0|0,0,0]=2 11355 B12R0.101 CCCC[C@H](N)COC(C)CCC 34a_100011934283_100000766640 [0,2,0,0,0,0|1,0,1]=4 11356 B12R0.101 CCCNC(=O)CCC(=O)CCC 1458a_100000199543_100000210303 [0,2,0,0,0,0|1,0,1]=4 11357 B12R0.101 CCCNC(=O)CNC(=O)CCC 11a_100000174927_100000211992 [0,2,0,0,0,0|1,0,1]=4 11358 B12R0.101 CCCNC(=O)CNC(=O)CCC 1626a_100000174927_100000211992 [0,2,0,0,0,0|1,0,1]=4 11359 B12R0.101 CCCNC(=O)CNC(=O)CCC 240690a_100000174927_100000211992 [0,2,0,0,0,0|1,0,1]=4 11360 B12R0.101 CCCNC(=O)CNC(=O)CCC 527a_100000174927_100000211992 [0,2,0,0,0,0|1,0,1]=4 11361 B12R0.101 CCCNC(=O)CNC(C)CCC 2230a_100000174927_100000766640 [0,2,0,0,0,0|2,0,0]=4 11362 B12R0.101 CCCNC(=O)CNC(C)CCC 2230a_100000741246_100000183358 [0,2,0,0,0,0|2,0,0]=4 11363 B12R0.101 CCCNC(=O)CNC(C)CCC 270004a_100000174927_100000211909 [0,2,0,0,0,0|2,0,0]=4 11364 B12R0.101 CCCNC(=O)COC(C)CCC 34a_100000764384_100000183358 [0,2,0,0,0,0|2,0,0]=4 11365 B12R0.101 CCCNC(=O)COC(C)CCC 7a_100000764384_100000183358 [0,2,0,0,0,0|2,0,0]=4 11366 B12R0.101 CCCNC(=O)CSC(C)CCC 62a_100000183358_100000766640 [0,2,0,0,0,0|2,0,0]=4 11367 B12R0.101 CCCNC(=O)CSC(C)CCC 62a_100000766640_100000183358 [0,2,0,0,0,0|2,0,0]=4 11368 B12R0.101 CCCNC(=O)NCC(O)COC 2708a_100020643023_100000756049 [0,2,0,0,0,0|2,0,0]=4 11369 B12R0.101 CCCNC(=O)NCC(O)COC 273464a_100000756049_100020643023 [0,2,0,0,0,0|2,0,0]=4 11370 B12R0.101 CCCNC(=O)NCC(O)COC 273464a_100020643023_100000756049 [0,2,0,0,0,0|2,0,0]=4 11371 B12R0.101 CCCNC(=O)NCC(O)COC 512a_100000756049_100020643023 [0,2,0,0,0,0|2,0,0]=4 11372 B12R0.101 CCCNC(=O)NCC(O)COC 512a_100020643023_100000756049 [0,2,0,0,0,0|2,0,0]=4 11373 B12R0.101 CCCOC(=O)CNC(C)CCC 2230a_100000741246_200011215008 [0,2,0,0,0,0|2,0,0]=4 11374 B12R0.101 CCCOC(=O)COC(C)CCC 34a_100000764384_200011215008 [0,2,0,0,0,0|2,0,0]=4 11375 B12R0.101 CCCOC(=O)COC(C)CCC 7a_100000764384_200011215008 [0,2,0,0,0,0|2,0,0]=4 11376 B12R0.101 CCCOC(=O)CSC(C)CCC 62a_100000766640_200011215008 [0,2,0,0,0,0|2,0,0]=4 11377 B12R0.101 CCCOC(=O)CSC(C)CCC 62a_200011215008_100000766640 [0,2,0,0,0,0|2,0,0]=4 11378 B12R0.101 CCCOC(=O)OCC(=O)CCC 1458a_100000211992_200000139673 [0,2,0,0,0,0|0,0,1]=3 11379 B12R0.101 CCCOC(=O)OCC(=O)CCO 1458a_100011216618_200000139673 [0,2,0,0,0,0|1,0,1]=4 11380 B12R0.101 CCCOC(=O)OCC(=O)COC 1458a_100000210968_200000139673 [0,2,0,0,0,0|1,0,1]=4 11381 B12R0.101 CCCOC(=O)OCC(=O)CSC 1458a_100000184570_200000139673 [0,2,0,0,0,0|1,0,1]=4 11382 B12R0.101 CCCOC(=O)OCN(C)CCC 269982a_100000747261_200000139673 [0,2,0,0,0,0|1,0,0]=3 11383 B12R0.101 CCCOC(=O)OCN(C)CCO 269982a_100000210263_200000139673 [0,2,0,0,0,0|2,0,0]=4 11384 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [0,2,0,0,0,0|2,0,0]=4 11385 B12R0.101 CCCOC(C)CNC(=O)CCC 11a_100015185124_100000211992 [0,2,0,0,0,0|1,0,0]=3 11386 B12R0.101 CCCOC(C)CNC(=O)CCC 1626a_100015185124_100000211992 [0,2,0,0,0,0|1,0,0]=3 11387 B12R0.101 CCCOC(C)CNC(=O)CCC 240690a_100015185124_100000211992 [0,2,0,0,0,0|1,0,0]=3 11388 B12R0.101 CCCOC(C)CNC(=O)CCC 527a_100015185124_100000211992 [0,2,0,0,0,0|1,0,0]=3 11389 B12R0.101 CCCOC(C)CNC(=O)CCO 240690a_100015185124_100011216618 [0,2,0,0,0,0|2,0,0]=4 11390 B12R0.101 CCCOC(C)CNC(=O)COC 11a_100015185124_100000210968 [0,2,0,0,0,0|2,0,0]=4 11391 B12R0.101 CCCOC(C)CNC(=O)COC 1626a_100015185124_100000210968 [0,2,0,0,0,0|2,0,0]=4 11392 B12R0.101 CCCOC(C)CNC(=O)COC 240690a_100015185124_100000210968 [0,2,0,0,0,0|2,0,0]=4 11393 B12R0.101 CCCOC(C)CNC(=O)COC 527a_100015185124_100000210968 [0,2,0,0,0,0|2,0,0]=4 11394 B12R0.101 CCCOC(C)CNC(=O)CSC 11a_100015185124_100000184570 [0,2,0,0,0,0|2,0,0]=4 11395 B12R0.101 CCCOC(C)CNC(=O)CSC 1626a_100015185124_100000184570 [0,2,0,0,0,0|2,0,0]=4 11396 B12R0.101 CCCOC(C)CNC(=O)CSC 240690a_100015185124_100000184570 [0,2,0,0,0,0|2,0,0]=4 11397 B12R0.101 CCCOC(C)CNC(=O)CSC 527a_100015185124_100000184570 [0,2,0,0,0,0|2,0,0]=4 11398 B12R0.101 CCCOC(C)CNC(=O)NCC 2708a_100015185124_100015525214 [0,2,0,0,0,0|2,0,0]=4 11399 B12R0.101 CCCOC(C)CNC(=O)NCC 2708a_100015525214_100015185124 [0,2,0,0,0,0|2,0,0]=4 11400 B12R0.101 CCCOC(C)CNC(=O)NCC 273464a_100015185124_100015525214 [0,2,0,0,0,0|2,0,0]=4 11401 B12R0.101 CCCOC(C)CNC(=O)NCC 273464a_100015525214_100015185124 [0,2,0,0,0,0|2,0,0]=4 11402 B12R0.101 CCCOC(C)CNC(=O)NCC 512a_100015185124_100015525214 [0,2,0,0,0,0|2,0,0]=4 11403 B12R0.101 CCCOC(C)CNC(=O)NCC 512a_100015525214_100015185124 [0,2,0,0,0,0|2,0,0]=4 11404 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000210303_100000748298 [0,2,0,0,0,0|2,0,0]=4 11405 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000748298_100000210303 [0,2,0,0,0,0|2,0,0]=4 11406 B12R0.101 CCNC(=O)COC(C)CCCCl 34a_200000718107_100000183381 [0,2,0,0,0,0|2,0,0]=4 11407 B12R0.101 CCNC(=O)COC(C)CCCCl 7a_200000718107_100000183381 [0,2,0,0,0,0|2,0,0]=4 11408 B12R0.101 CCNC(=O)COC(C)COCC 34a_100000718985_100000183381 [0,2,0,0,0,0|2,0,0]=4 11409 B12R0.101 CCNC(=O)COC(C)COCC 7a_100000718985_100000183381 [0,2,0,0,0,0|2,0,0]=4 11410 B12R0.101 CCNC(=O)NCC(O)COCC 2708a_100015525214_102515437182 [0,2,0,0,0,0|2,0,0]=4 11411 B12R0.101 CCNC(=O)NCC(O)COCC 273464a_100015525214_102515437182 [0,2,0,0,0,0|2,0,0]=4 11412 B12R0.101 CCNC(=O)NCC(O)COCC 273464a_102515437182_100015525214 [0,2,0,0,0,0|2,0,0]=4 11413 B12R0.101 CCNC(=O)NCC(O)COCC 512a_102515437182_100015525214 [0,2,0,0,0,0|2,0,0]=4 11414 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 2708a_100015525214_100160569302 [0,2,0,0,0,0|2,0,0]=4 11415 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 273464a_100015525214_100160569302 [0,2,0,0,0,0|2,0,0]=4 11416 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 273464a_100160569302_100015525214 [0,2,0,0,0,0|2,0,0]=4 11417 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 512a_100015525214_100160569302 [0,2,0,0,0,0|2,0,0]=4 11418 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 512a_100160569302_100015525214 [0,2,0,0,0,0|2,0,0]=4 11419 B12R0.101 CCOC(=O)COC(C)CCCCl 34a_200000718107_100000188475 [0,2,0,0,0,0|2,0,0]=4 11420 B12R0.101 CCOC(=O)COC(C)CCCCl 7a_200000718107_100000188475 [0,2,0,0,0,0|2,0,0]=4 11421 B12R0.101 CCOCC(=O)NCC(O)COC 240690a_100000756049_100000211967 [0,2,0,0,0,0|2,0,0]=4 11422 B12R0.101 CCOCC(=O)NCC(O)COC 527a_100000756049_100000211967 [0,2,0,0,0,0|2,0,0]=4 11423 B12R0.101 CCOCC(C)OCC(=O)OCC 34a_100000718985_100000188475 [0,2,0,0,0,0|2,0,0]=4 11424 B12R0.101 CCOCC(C)OCC(=O)OCC 7a_100000718985_100000188475 [0,2,0,0,0,0|2,0,0]=4 11425 B12R0.101 CCOCC(O)CNC(=O)CCO 240690a_102515437182_100011216618 [0,2,0,0,0,0|2,0,0]=4 11426 B12R0.101 CCOCC(O)CNC(=O)COC 240690a_102515437182_100000210968 [0,2,0,0,0,0|2,0,0]=4 11427 B12R0.101 CCOCC(O)CNC(=O)COC 527a_102515437182_100000210968 [0,2,0,0,0,0|2,0,0]=4 11428 B12R0.101 CCOCC(O)CNC(=O)CSC 240690a_102515437182_100000184570 [0,2,0,0,0,0|2,0,0]=4 11429 B12R0.101 CCOCC(O)CNC(=O)CSC 527a_102515437182_100000184570 [0,2,0,0,0,0|2,0,0]=4 11430 B12R0.101 CCSCC(=O)NCC(O)COC 240690a_100000756049_100000230394 [0,2,0,0,0,0|2,0,0]=4 11431 B12R0.101 CCSCC(=O)NCC(O)COC 527a_100000756049_100000230394 [0,2,0,0,0,0|2,0,0]=4 11432 B12R0.101 COCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210968 [0,2,0,0,0,0|2,0,0]=4 11433 B12R0.101 COCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000210968 [0,2,0,0,0,0|2,0,0]=4 11434 B12R0.101 COCC(O)CNC(=O)CCSC 240690a_100000756049_100000174002 [0,2,0,0,0,0|2,0,0]=4 11435 B12R0.101 COCC(O)CNC(=O)CCSC 527a_100000756049_100000174002 [0,2,0,0,0,0|2,0,0]=4 11436 B12R0.101 COCCC(=O)NCC(O)COC 240690a_100000756049_100000749529 [0,2,0,0,0,0|2,0,0]=4 11437 B12R0.101 COCCC(=O)NCC(O)COC 527a_100000756049_100000749529 [0,2,0,0,0,0|2,0,0]=4 11438 B12R0.101 CSCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000184570 [0,2,0,0,0,0|2,0,0]=4 11439 B12R0.101 CSCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000184570 [0,2,0,0,0,0|2,0,0]=4 11440 B12R0.101 C[C@H](CCCO)CNC(=O)CCO 240690a_100160569302_100011216618 [0,2,0,0,0,0|2,0,0]=4 11441 B12R0.114 C=C(CNCCCC)C(=O)OCC 7a_106832991798_100000755967 [0,2,0,0,0,0|2,0,0]=4 11442 B12R0.114 C=C(COCCCC)C(=O)OCC 34a_100000210227_100000755967 [0,2,0,0,0,0|2,0,0]=4 11443 B12R0.114 C=C(COCCCC)C(=O)OCC 7a_100000210227_100000755967 [0,2,0,0,0,0|2,0,0]=4 11444 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000210211_100000755967 [0,2,0,0,0,0|2,0,0]=4 11445 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000755967_100000210210 [0,2,0,0,0,0|2,0,0]=4 11446 B12R0.114 C=CCC(C)C(=O)CCCCCC 1458a_100011216819_100000210757 [0,2,0,0,0,0|1,0,1]=4 11447 B12R0.114 C=CCC(C)C(=O)NCCCCC 11a_100000209983_100011216819 [0,2,0,0,0,0|1,0,1]=4 11448 B12R0.114 C=CCC(C)C(=O)NCCCCC 1626a_100000209983_100011216819 [0,2,0,0,0,0|1,0,1]=4 11449 B12R0.114 C=CCC(C)C(=O)NCCCCC 240690a_100000209983_100011216819 [0,2,0,0,0,0|1,0,1]=4 11450 B12R0.114 C=CCC(C)C(=O)NCCCCC 527a_100000209983_100011216819 [0,2,0,0,0,0|1,0,1]=4 11451 B12R0.114 C=CCCCCN(C)C(=O)CCC 11a_100012000471_100000211992 [0,2,0,0,0,0|1,0,1]=4 11452 B12R0.114 C=CCCCCN(C)C(=O)CCC 1626a_100012000471_100000211992 [0,2,0,0,0,0|1,0,1]=4 11453 B12R0.114 C=CCCCCN(C)C(=O)CCC 240690a_100012000471_100000211992 [0,2,0,0,0,0|1,0,1]=4 11454 B12R0.114 C=CCCCCN(C)C(=O)CCC 527a_100012000471_100000211992 [0,2,0,0,0,0|1,0,1]=4 11455 B12R0.114 CC(CCO)C(=O)CCCCCO 1458a_100102619762_100009893172 [0,2,0,0,0,0|2,0,0]=4 11456 B12R0.114 CC/C=C(\C)/C(=O)CCCCCC 1458a_100016988807_100000210757 [0,2,0,0,0,0|1,0,1]=4 11457 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 11a_100000209983_100016988807 [0,2,0,0,0,0|1,0,1]=4 11458 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 1626a_100000209983_100016988807 [0,2,0,0,0,0|1,0,1]=4 11459 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 240690a_100000209983_100016988807 [0,2,0,0,0,0|1,0,1]=4 11460 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 527a_100000209983_100016988807 [0,2,0,0,0,0|1,0,1]=4 11461 B12R0.114 CCCC(=O)C(C)OCCOCC 1458a_100000743585_100000210303 [0,2,0,0,0,0|1,0,0]=3 11462 B12R0.114 CCCC(=O)N(C)CCCCCO 240690a_100000722520_100000211992 [0,2,0,0,0,0|1,0,0]=3 11463 B12R0.114 CCCC(=O)N(C)CCOCCO 240690a_100000228057_100000211992 [0,2,0,0,0,0|2,0,0]=4 11464 B12R0.114 CCCC(C)C(=O)CCCCCF 1458a_100000210906_100000729378 [0,2,0,0,0,0|2,0,0]=4 11465 B12R0.114 CCCC(C)C(=O)CCCCCO 1458a_100000210906_100000746330 [0,2,0,0,0,0|2,0,0]=4 11466 B12R0.114 CCCC(C)C(=O)CCCCCO 1458a_100102619762_100000766640 [0,2,0,0,0,0|2,0,0]=4 11467 B12R0.114 CCCC(C)C(=O)CCCCOC 1458a_100000210906_100000755781 [0,2,0,0,0,0|2,0,0]=4 11468 B12R0.114 CCCC(C)C(=O)CCCOCC 1458a_100000210906_100012232248 [0,2,0,0,0,0|2,0,0]=4 11469 B12R0.114 CCCC(C)C(=O)NCCCCO 240690a_100000750430_100000210906 [0,2,0,0,0,0|2,0,0]=4 11470 B12R0.114 CCCC(C)C(=O)NCCCCO 527a_100000750430_100000210906 [0,2,0,0,0,0|2,0,0]=4 11471 B12R0.114 CCCC(C)C(=O)NCCCOC 1626a_100150723488_100000210906 [0,2,0,0,0,0|2,0,0]=4 11472 B12R0.114 CCCC(C)C(=O)NCCCOC 240690a_100150723488_100000210906 [0,2,0,0,0,0|2,0,0]=4 11473 B12R0.114 CCCC(C)C(=O)NCCCOC 527a_100150723488_100000210906 [0,2,0,0,0,0|2,0,0]=4 11474 B12R0.114 CCCC(C)C(=O)NCCCSC 11a_100000749238_100000210906 [0,2,0,0,0,0|2,0,0]=4 11475 B12R0.114 CCCC(C)C(=O)NCCCSC 1626a_100000749238_100000210906 [0,2,0,0,0,0|2,0,0]=4 11476 B12R0.114 CCCC(C)C(=O)NCCCSC 240690a_100000749238_100000210906 [0,2,0,0,0,0|2,0,0]=4 11477 B12R0.114 CCCC(C)C(=O)NCCCSC 527a_100000749238_100000210906 [0,2,0,0,0,0|2,0,0]=4 11478 B12R0.114 CCCC(C)C(=O)NCCOCC 11a_100011200944_100000210906 [0,2,0,0,0,0|2,0,0]=4 11479 B12R0.114 CCCC(C)C(=O)NCCOCC 1626a_102516460346_100000210906 [0,2,0,0,0,0|2,0,0]=4 11480 B12R0.114 CCCC(C)C(=O)NCCOCC 240690a_100011200944_100000210906 [0,2,0,0,0,0|2,0,0]=4 11481 B12R0.114 CCCC(C)C(=O)NCCOCC 527a_100011200944_100000210906 [0,2,0,0,0,0|2,0,0]=4 11482 B12R0.114 CCCC(C)C(=O)NCCSCC 11a_100000106463_100000210906 [0,2,0,0,0,0|2,0,0]=4 11483 B12R0.114 CCCC(C)C(=O)NCCSCC 1626a_100000106463_100000210906 [0,2,0,0,0,0|2,0,0]=4 11484 B12R0.114 CCCC(C)C(=O)NCCSCC 240690a_100000106463_100000210906 [0,2,0,0,0,0|2,0,0]=4 11485 B12R0.114 CCCC(C)C(=O)NCCSCC 527a_100000106463_100000210906 [0,2,0,0,0,0|2,0,0]=4 11486 B12R0.114 CCCCC=CC(=O)C(C)CCC 1458a_100016266645_100000766640 [0,2,0,0,0,0|1,0,1]=4 11487 B12R0.114 CCCCC=CC(=O)C(C)CCO 1458a_100016266645_100009893172 [0,2,0,0,0,0|1,0,1]=4 11488 B12R0.114 CCCCC=CC(=O)C(C)COC 1458a_100016266645_100000765312 [0,2,0,0,0,0|1,0,1]=4 11489 B12R0.114 CCCCC=CC(=O)N(C)CCC 11a_100000747261_100016266645 [0,2,0,0,0,0|1,0,1]=4 11490 B12R0.114 CCCCC=CC(=O)N(C)CCC 1626a_100000747261_100016266645 [0,2,0,0,0,0|1,0,1]=4 11491 B12R0.114 CCCCC=CC(=O)N(C)CCC 240690a_100000747261_100016266645 [0,2,0,0,0,0|1,0,1]=4 11492 B12R0.114 CCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210757 [0,2,0,0,0,0|1,0,1]=4 11493 B12R0.114 CCCCCCC(=O)C(C)CC#N 1458a_100102632555_100009813641 [0,2,0,0,0,0|1,0,1]=4 11494 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210757 [0,2,0,0,0,0|1,0,0]=3 11495 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100102632555_100000766640 [0,2,0,0,0,0|1,0,0]=3 11496 B12R0.114 CCCCCCC(=O)C(C)CCO 1458a_100102632555_100009893172 [0,2,0,0,0,0|1,0,0]=3 11497 B12R0.114 CCCCCCC(=O)C(C)COC 1458a_100000751857_100000210757 [0,2,0,0,0,0|1,0,0]=3 11498 B12R0.114 CCCCCCC(=O)C(C)COC 1458a_100102632555_100000765312 [0,2,0,0,0,0|1,0,0]=3 11499 B12R0.114 CCCCCCC(=O)C(C)CSC 1458a_100000753918_100000210757 [0,2,0,0,0,0|1,0,0]=3 11500 B12R0.114 CCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210757 [0,2,0,0,0,0|1,0,0]=3 11501 B12R0.114 CCCCCCC(=O)C(C)SCC 1458a_100000230601_100000210757 [0,2,0,0,0,0|1,0,0]=3 11502 B12R0.114 CCCCCCC(=O)N(C)CCC 11a_100000747261_100102632555 [0,2,0,0,0,0|1,0,0]=3 11503 B12R0.114 CCCCCCC(=O)N(C)CCC 1626a_100000747261_100102632555 [0,2,0,0,0,0|1,0,0]=3 11504 B12R0.114 CCCCCCC(=O)N(C)CCC 240690a_100000747261_100102632555 [0,2,0,0,0,0|1,0,0]=3 11505 B12R0.114 CCCCCCC(=O)N(C)CCC 527a_100000747261_100102632555 [0,2,0,0,0,0|1,0,0]=3 11506 B12R0.114 CCCCCCC(=O)N(C)CCO 240690a_100000210263_100102632555 [0,2,0,0,0,0|2,0,0]=4 11507 B12R0.114 CCCCCCC(=O)N(C)CCO 527a_100000210263_100102632555 [0,2,0,0,0,0|2,0,0]=4 11508 B12R0.114 CCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210757 [0,2,0,0,0,0|1,0,0]=3 11509 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [0,2,0,0,0,0|1,0,0]=3 11510 B12R0.114 CCCCCCC(C)C(=O)CCO 1458a_100011216618_100011215978 [0,2,0,0,0,0|2,0,0]=4 11511 B12R0.114 CCCCCCC(C)C(=O)COC 1458a_100000210968_100011215978 [0,2,0,0,0,0|2,0,0]=4 11512 B12R0.114 CCCCCCC(C)C(=O)CSC 1458a_100000184570_100011215978 [0,2,0,0,0,0|2,0,0]=4 11513 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [0,2,0,0,0,0|1,0,0]=3 11514 B12R0.114 CCCCCCC(O)C(=O)CCF 1458a_100011215828_100011217306 [0,2,0,0,0,0|2,0,0]=4 11515 B12R0.114 CCCCCCC(O)C(=O)CCO 1458a_100011215828_100000211926 [0,2,0,0,0,0|2,0,0]=4 11516 B12R0.114 CCCCCCC(O)C(=O)NCC 240690a_100015525214_100011215828 [0,2,0,0,0,0|2,0,0]=4 11517 B12R0.114 CCCCCCN(C)C(=O)CCC 11a_106256046315_100000211992 [0,2,0,0,0,0|1,0,0]=3 11518 B12R0.114 CCCCCCN(C)C(=O)CCC 1626a_106256046315_100000211992 [0,2,0,0,0,0|1,0,0]=3 11519 B12R0.114 CCCCCCN(C)C(=O)CCC 240690a_106256046315_100000211992 [0,2,0,0,0,0|1,0,0]=3 11520 B12R0.114 CCCCCCN(C)C(=O)CCC 527a_106256046315_100000211992 [0,2,0,0,0,0|1,0,0]=3 11521 B12R0.114 CCCCCCN(C)C(=O)CCO 240690a_106256046315_100011216618 [0,2,0,0,0,0|2,0,0]=4 11522 B12R0.114 CCCCCCN(C)C(=O)COC 11a_106256046315_100000210968 [0,2,0,0,0,0|2,0,0]=4 11523 B12R0.114 CCCCCCN(C)C(=O)COC 1626a_106256046315_100000210968 [0,2,0,0,0,0|2,0,0]=4 11524 B12R0.114 CCCCCCN(C)C(=O)COC 240690a_106256046315_100000210968 [0,2,0,0,0,0|2,0,0]=4 11525 B12R0.114 CCCCCCN(C)C(=O)COC 527a_106256046315_100000210968 [0,2,0,0,0,0|2,0,0]=4 11526 B12R0.114 CCCCCCN(C)C(=O)CSC 11a_106256046315_100000184570 [0,2,0,0,0,0|2,0,0]=4 11527 B12R0.114 CCCCCCN(C)C(=O)CSC 1626a_106256046315_100000184570 [0,2,0,0,0,0|2,0,0]=4 11528 B12R0.114 CCCCCCN(C)C(=O)CSC 240690a_106256046315_100000184570 [0,2,0,0,0,0|2,0,0]=4 11529 B12R0.114 CCCCCCN(C)C(=O)CSC 527a_106256046315_100000184570 [0,2,0,0,0,0|2,0,0]=4 11530 B12R0.114 CCCCCCN(C)C(=O)NCC 2708a_100015525214_106256046315 [0,2,0,0,0,0|2,0,0]=4 11531 B12R0.114 CCCCCCN(C)C(=O)NCC 273464a_100015525214_106256046315 [0,2,0,0,0,0|2,0,0]=4 11532 B12R0.114 CCCCCNC(=O)C(=O)NCC 1626a_100000209983_200011297158 [0,2,0,0,0,0|1,0,1]=4 11533 B12R0.114 CCCCCNC(=O)C(=O)NCC 240690a_100000209983_200011297158 [0,2,0,0,0,0|1,0,1]=4 11534 B12R0.114 CCCCCNC(=O)C(=O)NCC 527a_100000209983_200011297158 [0,2,0,0,0,0|1,0,1]=4 11535 B12R0.114 CCCCCNC(=O)C(=O)OCC 11a_100000209983_100014798877 [0,2,0,0,0,0|1,0,1]=4 11536 B12R0.114 CCCCCNC(=O)C(=O)OCC 1626a_100000209983_100014798877 [0,2,0,0,0,0|1,0,1]=4 11537 B12R0.114 CCCCCNC(=O)C(=O)OCC 240690a_100000209983_100014798877 [0,2,0,0,0,0|1,0,1]=4 11538 B12R0.114 CCCCCNC(=O)C(C)CCC 11a_100000209983_100000210906 [0,2,0,0,0,0|1,0,0]=3 11539 B12R0.114 CCCCCNC(=O)C(C)CCC 1626a_100000209983_100000210906 [0,2,0,0,0,0|1,0,0]=3 11540 B12R0.114 CCCCCNC(=O)C(C)CCC 240690a_100000209983_100000210906 [0,2,0,0,0,0|1,0,0]=3 11541 B12R0.114 CCCCCNC(=O)C(C)CCC 527a_100000209983_100000210906 [0,2,0,0,0,0|1,0,0]=3 11542 B12R0.114 CCCCCNC(=O)C(C)COC 11a_100000209983_100000751857 [0,2,0,0,0,0|1,0,0]=3 11543 B12R0.114 CCCCCNC(=O)C(C)COC 1626a_100000209983_100000751857 [0,2,0,0,0,0|1,0,0]=3 11544 B12R0.114 CCCCCNC(=O)C(C)COC 240690a_100000209983_100000751857 [0,2,0,0,0,0|1,0,0]=3 11545 B12R0.114 CCCCCNC(=O)C(C)COC 527a_100000209983_100000751857 [0,2,0,0,0,0|1,0,0]=3 11546 B12R0.114 CCCCCNC(=O)C(C)CSC 11a_100000209983_100000753918 [0,2,0,0,0,0|1,0,0]=3 11547 B12R0.114 CCCCCNC(=O)C(C)CSC 1626a_100000209983_100000753918 [0,2,0,0,0,0|1,0,0]=3 11548 B12R0.114 CCCCCNC(=O)C(C)CSC 240690a_100000209983_100000753918 [0,2,0,0,0,0|1,0,0]=3 11549 B12R0.114 CCCCCNC(=O)C(C)CSC 527a_100000209983_100000753918 [0,2,0,0,0,0|1,0,0]=3 11550 B12R0.114 CCCCCNC(=O)C(C)NCC 2230a_100015525214_100000735910 [0,2,0,0,0,0|1,0,0]=3 11551 B12R0.114 CCCCCNC(=O)C(C)OCC 11a_100000209983_100000739345 [0,2,0,0,0,0|1,0,0]=3 11552 B12R0.114 CCCCCNC(=O)C(C)OCC 1626a_100000209983_100000739345 [0,2,0,0,0,0|1,0,0]=3 11553 B12R0.114 CCCCCNC(=O)C(C)OCC 240690a_100000209983_100000739345 [0,2,0,0,0,0|1,0,0]=3 11554 B12R0.114 CCCCCNC(=O)C(C)OCC 527a_100000209983_100000739345 [0,2,0,0,0,0|1,0,0]=3 11555 B12R0.114 CCCCCNC(=O)C(C)SCC 11a_100000209983_100000230601 [0,2,0,0,0,0|1,0,0]=3 11556 B12R0.114 CCCCCNC(=O)C(C)SCC 1626a_100000209983_100000230601 [0,2,0,0,0,0|1,0,0]=3 11557 B12R0.114 CCCCCNC(=O)C(C)SCC 240690a_100000209983_100000230601 [0,2,0,0,0,0|1,0,0]=3 11558 B12R0.114 CCCCCNC(=O)C(C)SCC 527a_100000209983_100000230601 [0,2,0,0,0,0|1,0,0]=3 11559 B12R0.114 CCCCCNC(=O)C(C)SCC 62a_100000210202_100000735910 [0,2,0,0,0,0|1,0,0]=3 11560 B12R0.114 CCCCCNC(=O)C(C)SCC 62a_100000735910_100000210202 [0,2,0,0,0,0|1,0,0]=3 11561 B12R0.114 CCCCCNC(=O)C(C)SCF 62a_100000735910_100015361967 [0,2,0,0,0,0|2,0,0]=4 11562 B12R0.114 CCCCCNC(=O)C(C)SCF 62a_100015361967_100000735910 [0,2,0,0,0,0|2,0,0]=4 11563 B12R0.114 CCCCCNC(=O)N(C)CCC 2708a_100000209983_100000747261 [0,2,0,0,0,0|1,0,0]=3 11564 B12R0.114 CCCCCNC(=O)N(C)CCC 273464a_100000209983_100000747261 [0,2,0,0,0,0|1,0,0]=3 11565 B12R0.114 CCCCCNC(=O)N(C)CCO 2708a_100000209983_100000210263 [0,2,0,0,0,0|2,0,0]=4 11566 B12R0.114 CCCCCNC(=O)N(C)CCO 273464a_100000209983_100000210263 [0,2,0,0,0,0|2,0,0]=4 11567 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC 240690a_100000209983_100009822183 [0,2,0,0,0,0|1,0,0]=3 11568 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000209983_100000230173 [0,2,0,0,0,0|2,0,0]=4 11569 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210326 [0,2,0,0,0,0|2,0,0]=4 11570 B12R0.114 CCCCCNC(C)C(=O)NCC 34a_100000736553_100000718602 [0,2,0,0,0,0|2,0,0]=4 11571 B12R0.114 CCCCCNC(C)C(=O)OCC 2230a_100000209983_100011215307 [0,2,0,0,0,0|2,0,0]=4 11572 B12R0.114 CCCCCNC(F)C(=O)OCC 2230a_100000209983_100000760018 [0,2,0,0,0,0|2,0,0]=4 11573 B12R0.114 CCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210326 [0,2,0,0,0,0|2,0,0]=4 11574 B12R0.114 CCCCCOC(C)C(=O)NCC 34a_100000210253_100000230173 [0,2,0,0,0,0|1,0,0]=3 11575 B12R0.114 CCCCCOC(C)C(=O)NCC 7a_100000210253_100000230173 [0,2,0,0,0,0|1,0,0]=3 11576 B12R0.114 CCCCCOC(C)C(=O)OCC 34a_100000210253_100011216346 [0,2,0,0,0,0|1,0,0]=3 11577 B12R0.114 CCCCCOC(C)C(=O)OCC 7a_100000210253_100011216346 [0,2,0,0,0,0|1,0,0]=3 11578 B12R0.114 CCCCCOC(C)C(C)CCC 34a_100000708338_100000718602 [0,2,0,0,0,0|1,0,1]=4 11579 B12R0.114 CCCCCOC(C)C(C)CCC 7a_100000708338_100000210326 [0,2,0,0,0,0|1,0,1]=4 11580 B12R0.114 CCCCCOC(F)C(=O)OCC 34a_100000210253_100000760018 [0,2,0,0,0,0|1,0,0]=3 11581 B12R0.114 CCCCCOC(F)C(=O)OCC 7a_100000210253_100000040065 [0,2,0,0,0,0|1,0,0]=3 11582 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210326 [0,2,0,0,0,0|1,0,0]=3 11583 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000210326_100000230173 [0,2,0,0,0,0|1,1,0]=4 11584 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000230173_100000210326 [0,2,0,0,0,0|1,1,0]=4 11585 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100000210326_100011216346 [0,2,0,0,0,0|1,1,0]=4 11586 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100011216346_100000210326 [0,2,0,0,0,0|1,1,0]=4 11587 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000210326_100000760018 [0,2,0,0,0,0|1,1,0]=4 11588 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000760018_100000210326 [0,2,0,0,0,0|1,1,0]=4 11589 B12R0.114 CCCCNNC(=O)C(C)CCC 22a_100025702795_100000210906 [0,2,0,0,0,0|2,0,0]=4 11590 B12R0.114 CCCCNNC(=O)C(C)COC 22a_100025702795_100000751857 [0,2,0,0,0,0|2,0,0]=4 11591 B12R0.114 CCCCNNC(=O)C(C)CSC 22a_100025702795_100000753918 [0,2,0,0,0,0|2,0,0]=4 11592 B12R0.114 CCCCNNC(=O)C(C)OCC 22a_100025702795_100000739345 [0,2,0,0,0,0|2,0,0]=4 11593 B12R0.114 CCCCNNC(=O)C(C)SCC 22a_100025702795_100000230601 [0,2,0,0,0,0|2,0,0]=4 11594 B12R0.114 CCCCNNC(=O)[C@@H](O)CCC 22a_100025702795_100009822183 [0,2,0,0,0,0|2,0,0]=4 11595 B12R0.114 CCCCOCC(=O)C(=O)NCC 1458a_200011297158_100011995733 [0,2,0,0,0,0|2,0,0]=4 11596 B12R0.114 CCCCOCC(=O)C(C)CCC 1458a_100000210906_100011995733 [0,2,0,0,0,0|2,0,0]=4 11597 B12R0.114 CCCCOCC(=O)C(C)CCC 1458a_100000757543_100000766640 [0,2,0,0,0,0|2,0,0]=4 11598 B12R0.114 CCCCOCC(=O)C(C)CCO 1458a_100000757543_100009893172 [0,2,0,0,0,0|2,0,0]=4 11599 B12R0.114 CCCCOCC(=O)C(C)COC 1458a_100000751857_100011995733 [0,2,0,0,0,0|2,0,0]=4 11600 B12R0.114 CCCCOCC(=O)C(C)COC 1458a_100000757543_100000765312 [0,2,0,0,0,0|2,0,0]=4 11601 B12R0.114 CCCCOCC(=O)C(C)CSC 1458a_100000753918_100011995733 [0,2,0,0,0,0|2,0,0]=4 11602 B12R0.114 CCCCOCC(=O)C(C)OCC 1458a_100000739345_100011995733 [0,2,0,0,0,0|2,0,0]=4 11603 B12R0.114 CCCCOCC(=O)C(C)SCC 1458a_100000230601_100011995733 [0,2,0,0,0,0|2,0,0]=4 11604 B12R0.114 CCCCOCC(=O)N(C)CCC 11a_100000747261_100000757543 [0,2,0,0,0,0|2,0,0]=4 11605 B12R0.114 CCCCOCC(=O)N(C)CCC 1626a_100000747261_100000757543 [0,2,0,0,0,0|2,0,0]=4 11606 B12R0.114 CCCCOCC(=O)N(C)CCC 240690a_100000747261_100000757543 [0,2,0,0,0,0|2,0,0]=4 11607 B12R0.114 CCCCOCC(=O)N(C)CCC 527a_100000747261_100000757543 [0,2,0,0,0,0|2,0,0]=4 11608 B12R0.114 CCCCOCC(=O)[C@@H](O)CCC 1458a_100009822183_100011995733 [0,2,0,0,0,0|2,0,0]=4 11609 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000210211_100000211299 [0,2,0,0,0,0|2,0,0]=4 11610 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210210 [0,2,0,0,0,0|2,0,0]=4 11611 B12R0.114 CCCCSCC(=O)C(C)CCC 1458a_100000191162_100000766640 [0,2,0,0,0,0|2,0,0]=4 11612 B12R0.114 CCCCSCC(=O)C(C)CCO 1458a_100000191162_100009893172 [0,2,0,0,0,0|2,0,0]=4 11613 B12R0.114 CCCCSCC(=O)C(C)COC 1458a_100000191162_100000765312 [0,2,0,0,0,0|2,0,0]=4 11614 B12R0.114 CCCCSCC(=O)N(C)CCC 11a_100000747261_100000191162 [0,2,0,0,0,0|2,0,0]=4 11615 B12R0.114 CCCCSCC(=O)N(C)CCC 1626a_100000747261_100000191162 [0,2,0,0,0,0|2,0,0]=4 11616 B12R0.114 CCCCSCC(=O)N(C)CCC 240690a_100000747261_100000191162 [0,2,0,0,0,0|2,0,0]=4 11617 B12R0.114 CCCCSCC(=O)N(C)CCC 527a_100000747261_100000191162 [0,2,0,0,0,0|2,0,0]=4 11618 B12R0.114 CCCN(C)C(=O)CCCCCO 240690a_100000747261_100102619762 [0,2,0,0,0,0|2,0,0]=4 11619 B12R0.114 CCCN(C)C(=O)NCCCCO 2708a_100000750430_100000747261 [0,2,0,0,0,0|2,0,0]=4 11620 B12R0.114 CCCN(C)C(=O)NCCCCO 273464a_100000750430_100000747261 [0,2,0,0,0,0|2,0,0]=4 11621 B12R0.114 CCCN(C)C(=O)NCCCOC 2708a_100150723488_100000747261 [0,2,0,0,0,0|2,0,0]=4 11622 B12R0.114 CCCN(C)C(=O)NCCCOC 273464a_100150723488_100000747261 [0,2,0,0,0,0|2,0,0]=4 11623 B12R0.114 CCCN(C)C(=O)NCCCSC 2708a_100000749238_100000747261 [0,2,0,0,0,0|2,0,0]=4 11624 B12R0.114 CCCN(C)C(=O)NCCCSC 273464a_100000749238_100000747261 [0,2,0,0,0,0|2,0,0]=4 11625 B12R0.114 CCCN(C)C(=O)NCCOCC 2708a_100011200944_100000747261 [0,2,0,0,0,0|2,0,0]=4 11626 B12R0.114 CCCN(C)C(=O)NCCOCC 273464a_102516460346_100000747261 [0,2,0,0,0,0|2,0,0]=4 11627 B12R0.114 CCCN(C)C(=O)NCCSCC 2708a_100000106463_100000747261 [0,2,0,0,0,0|2,0,0]=4 11628 B12R0.114 CCCN(C)C(=O)NCCSCC 273464a_100000106463_100000747261 [0,2,0,0,0,0|2,0,0]=4 11629 B12R0.114 CCCOCCC(=O)C(=O)NCC 1458a_200011297158_100011215938 [0,2,0,0,0,0|2,0,0]=4 11630 B12R0.114 CCCOCCC(=O)C(C)CCC 1458a_100000210906_100011215938 [0,2,0,0,0,0|2,0,0]=4 11631 B12R0.114 CCCOCCC(=O)C(C)COC 1458a_100000751857_100011215938 [0,2,0,0,0,0|2,0,0]=4 11632 B12R0.114 CCCOCCC(=O)C(C)CSC 1458a_100000753918_100011215938 [0,2,0,0,0,0|2,0,0]=4 11633 B12R0.114 CCCOCCC(=O)C(C)OCC 1458a_100000739345_100011215938 [0,2,0,0,0,0|2,0,0]=4 11634 B12R0.114 CCCOCCC(=O)C(C)SCC 1458a_100000230601_100011215938 [0,2,0,0,0,0|2,0,0]=4 11635 B12R0.114 CCCOCCC(=O)[C@@H](O)CCC 1458a_100009822183_100011215938 [0,2,0,0,0,0|2,0,0]=4 11636 B12R0.114 CCC[C@H](O)C(=O)CCCCCF 1458a_100009822183_100000729378 [0,2,0,0,0,0|2,0,0]=4 11637 B12R0.114 CCC[C@H](O)C(=O)CCCCCO 1458a_100009822183_100000746330 [0,2,0,0,0,0|2,0,0]=4 11638 B12R0.114 CCC[C@H](O)C(=O)CCCCOC 1458a_100009822183_100000755781 [0,2,0,0,0,0|2,0,0]=4 11639 B12R0.114 CCC[C@H](O)C(=O)CCCOCC 1458a_100009822183_100012232248 [0,2,0,0,0,0|2,0,0]=4 11640 B12R0.114 CCC[C@H](O)C(=O)NCCCCO 240690a_100000750430_100009822183 [0,2,0,0,0,0|2,0,0]=4 11641 B12R0.114 CCC[C@H](O)C(=O)NCCCOC 240690a_100150723488_100009822183 [0,2,0,0,0,0|2,0,0]=4 11642 B12R0.114 CCC[C@H](O)C(=O)NCCCSC 240690a_100000749238_100009822183 [0,2,0,0,0,0|2,0,0]=4 11643 B12R0.114 CCC[C@H](O)C(=O)NCCOCC 240690a_100011200944_100009822183 [0,2,0,0,0,0|2,0,0]=4 11644 B12R0.114 CCC[C@H](O)C(=O)NCCSCC 240690a_100000106463_100009822183 [0,2,0,0,0,0|2,0,0]=4 11645 B12R0.114 CCNC(=O)C(=O)CCCCCF 1458a_200011297158_100000729378 [0,2,0,0,0,0|2,0,0]=4 11646 B12R0.114 CCNC(=O)C(=O)CCCCCO 1458a_200011297158_100000746330 [0,2,0,0,0,0|2,0,0]=4 11647 B12R0.114 CCNC(=O)C(=O)CCCCOC 1458a_200011297158_100000755781 [0,2,0,0,0,0|2,0,0]=4 11648 B12R0.114 CCNC(=O)C(=O)CCCOCC 1458a_200011297158_100012232248 [0,2,0,0,0,0|2,0,0]=4 11649 B12R0.114 CCNC(=O)C(C)OCCCCBr 34a_100011216708_100000230173 [0,2,0,0,0,0|2,0,0]=4 11650 B12R0.114 CCNC(=O)C(C)OCCCCCl 34a_100000210776_100000230173 [0,2,0,0,0,0|2,0,0]=4 11651 B12R0.114 CCNC(=O)C(C)OCCCCCl 7a_100000210776_100000230173 [0,2,0,0,0,0|2,0,0]=4 11652 B12R0.114 CCNC(=O)C(C)OCCCCF 34a_100011995726_100000230173 [0,2,0,0,0,0|2,0,0]=4 11653 B12R0.114 CCNC(=O)C(C)OCCCCF 7a_100011995726_100000230173 [0,2,0,0,0,0|2,0,0]=4 11654 B12R0.114 CCNC(=O)C(C)OCCCCI 34a_200012148704_100000230173 [0,2,0,0,0,0|2,0,0]=4 11655 B12R0.114 CCNC(=O)C(C)OCCCCN 34a_100000750430_100000230173 [0,2,0,0,0,0|2,0,0]=4 11656 B12R0.114 CCNC(=O)C(C)OCCCNC 34a_100000213112_100000230173 [0,2,0,0,0,0|2,0,0]=4 11657 B12R0.114 CCNC(=O)C(C)OCCCOC 34a_100000740835_100000230173 [0,2,0,0,0,0|2,0,0]=4 11658 B12R0.114 CCNC(=O)C(C)OCCCSC 34a_100000690336_100000230173 [0,2,0,0,0,0|2,0,0]=4 11659 B12R0.114 CCNC(=O)C(C)OCCCSC 7a_100000690336_100000230173 [0,2,0,0,0,0|2,0,0]=4 11660 B12R0.114 CCNC(=O)C(C)OCCOCC 11a_100015525214_100000743585 [0,2,0,0,0,0|2,0,0]=4 11661 B12R0.114 CCNC(=O)C(C)OCCOCC 240690a_100015525214_100000743585 [0,2,0,0,0,0|2,0,0]=4 11662 B12R0.114 CCNC(=O)C(C)OCCOCC 34a_100000210136_100000230173 [0,2,0,0,0,0|2,0,0]=4 11663 B12R0.114 CCNC(=O)C(C)OCCOCC 527a_100015525214_100000743585 [0,2,0,0,0,0|2,0,0]=4 11664 B12R0.114 CCNC(=O)C(C)OCCOCC 7a_100000210136_100000230173 [0,2,0,0,0,0|2,0,0]=4 11665 B12R0.114 CCNC(=O)C(C)OCCSCC 34a_100000212035_100000230173 [0,2,0,0,0,0|2,0,0]=4 11666 B12R0.114 CCNC(=O)C(C)OCCSCC 7a_100000212035_100000230173 [0,2,0,0,0,0|2,0,0]=4 11667 B12R0.114 CCNC(=O)N(C)CCCCCO 2708a_100015525214_100000722520 [0,2,0,0,0,0|2,0,0]=4 11668 B12R0.114 CCNC(=O)N(C)CCCCCO 273464a_100015525214_100000722520 [0,2,0,0,0,0|2,0,0]=4 11669 B12R0.114 CCNC(C)C(=O)NCCCOC 2230a_100015525214_100000735919 [0,2,0,0,0,0|2,0,0]=4 11670 B12R0.114 CCOC(=O)C(C)OCCCCBr 34a_100011216708_100011216346 [0,2,0,0,0,0|2,0,0]=4 11671 B12R0.114 CCOC(=O)C(C)OCCCCCl 34a_100000210776_100011216346 [0,2,0,0,0,0|2,0,0]=4 11672 B12R0.114 CCOC(=O)C(C)OCCCCCl 7a_100000210776_100011216346 [0,2,0,0,0,0|2,0,0]=4 11673 B12R0.114 CCOC(=O)C(C)OCCCCF 34a_100011995726_100011216346 [0,2,0,0,0,0|2,0,0]=4 11674 B12R0.114 CCOC(=O)C(C)OCCCCF 7a_100011995726_100011216346 [0,2,0,0,0,0|2,0,0]=4 11675 B12R0.114 CCOC(=O)C(C)OCCCCI 34a_200012148704_100011216346 [0,2,0,0,0,0|2,0,0]=4 11676 B12R0.114 CCOC(=O)C(C)OCCCCN 34a_100000750430_100011216346 [0,2,0,0,0,0|2,0,0]=4 11677 B12R0.114 CCOC(=O)C(C)OCCCNC 34a_100000213112_100011216346 [0,2,0,0,0,0|2,0,0]=4 11678 B12R0.114 CCOC(=O)C(C)OCCCOC 34a_100000740835_100011216346 [0,2,0,0,0,0|2,0,0]=4 11679 B12R0.114 CCOC(=O)C(C)OCCCSC 34a_100000690336_100011216346 [0,2,0,0,0,0|2,0,0]=4 11680 B12R0.114 CCOC(=O)C(C)OCCCSC 7a_100000690336_100011216346 [0,2,0,0,0,0|2,0,0]=4 11681 B12R0.114 CCOC(=O)C(C)OCCSCC 34a_100000212035_100011216346 [0,2,0,0,0,0|2,0,0]=4 11682 B12R0.114 CCOC(=O)C(C)OCCSCC 7a_100000212035_100011216346 [0,2,0,0,0,0|2,0,0]=4 11683 B12R0.114 CCOC(=O)C(F)OCCCCBr 34a_100011216708_100000760018 [0,2,0,0,0,0|2,0,0]=4 11684 B12R0.114 CCOC(=O)C(F)OCCCCCl 34a_100000210776_100000760018 [0,2,0,0,0,0|2,0,0]=4 11685 B12R0.114 CCOC(=O)C(F)OCCCCCl 7a_100000210776_100000040065 [0,2,0,0,0,0|2,0,0]=4 11686 B12R0.114 CCOC(=O)C(F)OCCCCF 34a_100011995726_100000760018 [0,2,0,0,0,0|2,0,0]=4 11687 B12R0.114 CCOC(=O)C(F)OCCCCF 7a_100011995726_100000040065 [0,2,0,0,0,0|2,0,0]=4 11688 B12R0.114 CCOC(=O)C(F)OCCCCI 34a_200012148704_100000760018 [0,2,0,0,0,0|2,0,0]=4 11689 B12R0.114 CCOC(=O)C(F)OCCCCN 34a_100000750430_100000760018 [0,2,0,0,0,0|2,0,0]=4 11690 B12R0.114 CCOC(=O)C(F)OCCCNC 34a_100000213112_100000760018 [0,2,0,0,0,0|2,0,0]=4 11691 B12R0.114 CCOC(=O)C(F)OCCCOC 34a_100000740835_100000760018 [0,2,0,0,0,0|2,0,0]=4 11692 B12R0.114 CCOC(=O)C(F)OCCCSC 34a_100000690336_100000760018 [0,2,0,0,0,0|2,0,0]=4 11693 B12R0.114 CCOC(=O)C(F)OCCCSC 7a_100000690336_100000040065 [0,2,0,0,0,0|2,0,0]=4 11694 B12R0.114 CCOC(=O)C(F)OCCSCC 34a_100000212035_100000760018 [0,2,0,0,0,0|2,0,0]=4 11695 B12R0.114 CCOC(=O)C(F)OCCSCC 7a_100000212035_100000040065 [0,2,0,0,0,0|2,0,0]=4 11696 B12R0.114 CCOC(=O)[C@H](C)OCCCCF 7a_100000751109_100000729493 [0,2,0,0,0,0|2,0,0]=4 11697 B12R0.114 CCOC(=O)[C@H](C)OCCCCO 7a_100000751109_100000210776 [0,2,0,0,0,0|2,0,0]=4 11698 B12R0.114 CCOC(=O)[C@H](C)OCCCOC 7a_100000751109_100000740836 [0,2,0,0,0,0|2,0,0]=4 11699 B12R0.114 CCOC(=O)[C@H](C)OCCSCC 7a_100000751109_100000757381 [0,2,0,0,0,0|2,0,0]=4 11700 B12R0.114 CCOC(C)C(=O)CCCCCF 1458a_100000739345_100000729378 [0,2,0,0,0,0|2,0,0]=4 11701 B12R0.114 CCOC(C)C(=O)CCCCCO 1458a_100000739345_100000746330 [0,2,0,0,0,0|2,0,0]=4 11702 B12R0.114 CCOC(C)C(=O)CCCCOC 1458a_100000739345_100000755781 [0,2,0,0,0,0|2,0,0]=4 11703 B12R0.114 CCOC(C)C(=O)NCCCCO 240690a_100000750430_100000739345 [0,2,0,0,0,0|2,0,0]=4 11704 B12R0.114 CCOC(C)C(=O)NCCCCO 527a_100000750430_100000739345 [0,2,0,0,0,0|2,0,0]=4 11705 B12R0.114 CCOC(C)C(=O)NCCCOC 1626a_100150723488_100000739345 [0,2,0,0,0,0|2,0,0]=4 11706 B12R0.114 CCOC(C)C(=O)NCCCOC 240690a_100150723488_100000739345 [0,2,0,0,0,0|2,0,0]=4 11707 B12R0.114 CCOC(C)C(=O)NCCCOC 527a_100150723488_100000739345 [0,2,0,0,0,0|2,0,0]=4 11708 B12R0.114 CCOC(C)C(=O)NCCCSC 11a_100000749238_100000739345 [0,2,0,0,0,0|2,0,0]=4 11709 B12R0.114 CCOC(C)C(=O)NCCCSC 1626a_100000749238_100000739345 [0,2,0,0,0,0|2,0,0]=4 11710 B12R0.114 CCOC(C)C(=O)NCCCSC 240690a_100000749238_100000739345 [0,2,0,0,0,0|2,0,0]=4 11711 B12R0.114 CCOC(C)C(=O)NCCCSC 527a_100000749238_100000739345 [0,2,0,0,0,0|2,0,0]=4 11712 B12R0.114 CCOC(C)C(=O)NCCSCC 11a_100000106463_100000739345 [0,2,0,0,0,0|2,0,0]=4 11713 B12R0.114 CCOC(C)C(=O)NCCSCC 1626a_100000106463_100000739345 [0,2,0,0,0,0|2,0,0]=4 11714 B12R0.114 CCOC(C)C(=O)NCCSCC 240690a_100000106463_100000739345 [0,2,0,0,0,0|2,0,0]=4 11715 B12R0.114 CCOC(C)C(=O)NCCSCC 527a_100000106463_100000739345 [0,2,0,0,0,0|2,0,0]=4 11716 B12R0.114 CCOCCCC(=O)C(C)COC 1458a_100000751857_100012232248 [0,2,0,0,0,0|2,0,0]=4 11717 B12R0.114 CCOCCCC(=O)C(C)CSC 1458a_100000753918_100012232248 [0,2,0,0,0,0|2,0,0]=4 11718 B12R0.114 CCOCCCC(=O)C(C)OCC 1458a_100000739345_100012232248 [0,2,0,0,0,0|2,0,0]=4 11719 B12R0.114 CCOCCCC(=O)C(C)SCC 1458a_100000230601_100012232248 [0,2,0,0,0,0|2,0,0]=4 11720 B12R0.114 CCOCCNC(=O)C(C)COC 11a_100011200944_100000751857 [0,2,0,0,0,0|2,0,0]=4 11721 B12R0.114 CCOCCNC(=O)C(C)COC 1626a_102516460346_100000751857 [0,2,0,0,0,0|2,0,0]=4 11722 B12R0.114 CCOCCNC(=O)C(C)COC 240690a_100011200944_100000751857 [0,2,0,0,0,0|2,0,0]=4 11723 B12R0.114 CCOCCNC(=O)C(C)COC 527a_100011200944_100000751857 [0,2,0,0,0,0|2,0,0]=4 11724 B12R0.114 CCOCCNC(=O)C(C)CSC 11a_100011200944_100000753918 [0,2,0,0,0,0|2,0,0]=4 11725 B12R0.114 CCOCCNC(=O)C(C)CSC 1626a_102516460346_100000753918 [0,2,0,0,0,0|2,0,0]=4 11726 B12R0.114 CCOCCNC(=O)C(C)CSC 240690a_100011200944_100000753918 [0,2,0,0,0,0|2,0,0]=4 11727 B12R0.114 CCOCCNC(=O)C(C)CSC 527a_100011200944_100000753918 [0,2,0,0,0,0|2,0,0]=4 11728 B12R0.114 CCOCCNC(=O)C(C)OCC 11a_100011200944_100000739345 [0,2,0,0,0,0|2,0,0]=4 11729 B12R0.114 CCOCCNC(=O)C(C)OCC 1626a_102516460346_100000739345 [0,2,0,0,0,0|2,0,0]=4 11730 B12R0.114 CCOCCNC(=O)C(C)OCC 240690a_100011200944_100000739345 [0,2,0,0,0,0|2,0,0]=4 11731 B12R0.114 CCOCCNC(=O)C(C)OCC 527a_100011200944_100000739345 [0,2,0,0,0,0|2,0,0]=4 11732 B12R0.114 CCOCCNC(=O)C(C)SCC 11a_100011200944_100000230601 [0,2,0,0,0,0|2,0,0]=4 11733 B12R0.114 CCOCCNC(=O)C(C)SCC 1626a_102516460346_100000230601 [0,2,0,0,0,0|2,0,0]=4 11734 B12R0.114 CCOCCNC(=O)C(C)SCC 240690a_100011200944_100000230601 [0,2,0,0,0,0|2,0,0]=4 11735 B12R0.114 CCOCCNC(=O)C(C)SCC 527a_100011200944_100000230601 [0,2,0,0,0,0|2,0,0]=4 11736 B12R0.114 CCOCCOC(C)C(=O)CCF 1458a_100000743585_100011217306 [0,2,0,0,0,0|2,0,0]=4 11737 B12R0.114 CCOCCOC(C)C(=O)CCO 1458a_100000743585_100000211926 [0,2,0,0,0,0|2,0,0]=4 11738 B12R0.114 CCOCCOC(C)C(=O)OCC 34a_100000210136_100011216346 [0,2,0,0,0,0|2,0,0]=4 11739 B12R0.114 CCOCCOC(C)C(=O)OCC 7a_100000210136_100011216346 [0,2,0,0,0,0|2,0,0]=4 11740 B12R0.114 CCOCCOC(F)C(=O)OCC 34a_100000210136_100000760018 [0,2,0,0,0,0|2,0,0]=4 11741 B12R0.114 CCOCCOC(F)C(=O)OCC 7a_100000210136_100000040065 [0,2,0,0,0,0|2,0,0]=4 11742 B12R0.114 CCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215890 [0,2,0,0,0,0|2,0,0]=4 11743 B12R0.114 CCSC(C)C(=O)CCCCCF 1458a_100000230601_100000729378 [0,2,0,0,0,0|2,0,0]=4 11744 B12R0.114 CCSC(C)C(=O)CCCCCO 1458a_100000230601_100000746330 [0,2,0,0,0,0|2,0,0]=4 11745 B12R0.114 CCSC(C)C(=O)CCCCOC 1458a_100000230601_100000755781 [0,2,0,0,0,0|2,0,0]=4 11746 B12R0.114 CCSC(C)C(=O)NCCCCO 240690a_100000750430_100000230601 [0,2,0,0,0,0|2,0,0]=4 11747 B12R0.114 CCSC(C)C(=O)NCCCCO 527a_100000750430_100000230601 [0,2,0,0,0,0|2,0,0]=4 11748 B12R0.114 CCSC(C)C(=O)NCCCOC 1626a_100150723488_100000230601 [0,2,0,0,0,0|2,0,0]=4 11749 B12R0.114 CCSC(C)C(=O)NCCCOC 240690a_100150723488_100000230601 [0,2,0,0,0,0|2,0,0]=4 11750 B12R0.114 CCSC(C)C(=O)NCCCOC 527a_100150723488_100000230601 [0,2,0,0,0,0|2,0,0]=4 11751 B12R0.114 CCSC(C)C(=O)NCCCOC 62a_100000210202_100000735919 [0,2,0,0,0,0|2,0,0]=4 11752 B12R0.114 CCSC(C)C(=O)NCCCOC 62a_100000735919_100000210202 [0,2,0,0,0,0|2,0,0]=4 11753 B12R0.114 CCSC(C)C(=O)NCCCSC 11a_100000749238_100000230601 [0,2,0,0,0,0|2,0,0]=4 11754 B12R0.114 CCSC(C)C(=O)NCCCSC 1626a_100000749238_100000230601 [0,2,0,0,0,0|2,0,0]=4 11755 B12R0.114 CCSC(C)C(=O)NCCCSC 240690a_100000749238_100000230601 [0,2,0,0,0,0|2,0,0]=4 11756 B12R0.114 CCSC(C)C(=O)NCCCSC 527a_100000749238_100000230601 [0,2,0,0,0,0|2,0,0]=4 11757 B12R0.114 CCSCCNC(=O)C(C)COC 11a_100000106463_100000751857 [0,2,0,0,0,0|2,0,0]=4 11758 B12R0.114 CCSCCNC(=O)C(C)COC 1626a_100000106463_100000751857 [0,2,0,0,0,0|2,0,0]=4 11759 B12R0.114 CCSCCNC(=O)C(C)COC 240690a_100000106463_100000751857 [0,2,0,0,0,0|2,0,0]=4 11760 B12R0.114 CCSCCNC(=O)C(C)COC 527a_100000106463_100000751857 [0,2,0,0,0,0|2,0,0]=4 11761 B12R0.114 CCSCCNC(=O)C(C)CSC 11a_100000106463_100000753918 [0,2,0,0,0,0|2,0,0]=4 11762 B12R0.114 CCSCCNC(=O)C(C)CSC 1626a_100000106463_100000753918 [0,2,0,0,0,0|2,0,0]=4 11763 B12R0.114 CCSCCNC(=O)C(C)CSC 240690a_100000106463_100000753918 [0,2,0,0,0,0|2,0,0]=4 11764 B12R0.114 CCSCCNC(=O)C(C)CSC 527a_100000106463_100000753918 [0,2,0,0,0,0|2,0,0]=4 11765 B12R0.114 CCSCCNC(=O)C(C)SCC 11a_100000106463_100000230601 [0,2,0,0,0,0|2,0,0]=4 11766 B12R0.114 CCSCCNC(=O)C(C)SCC 1626a_100000106463_100000230601 [0,2,0,0,0,0|2,0,0]=4 11767 B12R0.114 CCSCCNC(=O)C(C)SCC 240690a_100000106463_100000230601 [0,2,0,0,0,0|2,0,0]=4 11768 B12R0.114 CCSCCNC(=O)C(C)SCC 527a_100000106463_100000230601 [0,2,0,0,0,0|2,0,0]=4 11769 B12R0.114 CN(CCCCCO)C(=O)CCO 240690a_100000722520_100011216618 [0,2,0,0,0,0|2,0,0]=4 11770 B12R0.114 COCC(=O)N(C)CCCCCO 240690a_100000722520_100000210968 [0,2,0,0,0,0|2,0,0]=4 11771 B12R0.114 COCC(C)C(=O)CCCCCF 1458a_100000751857_100000729378 [0,2,0,0,0,0|2,0,0]=4 11772 B12R0.114 COCC(C)C(=O)CCCCCO 1458a_100000751857_100000746330 [0,2,0,0,0,0|2,0,0]=4 11773 B12R0.114 COCC(C)C(=O)CCCCCO 1458a_100102619762_100000765312 [0,2,0,0,0,0|2,0,0]=4 11774 B12R0.114 COCC(C)C(=O)NCCCCO 240690a_100000750430_100000751857 [0,2,0,0,0,0|2,0,0]=4 11775 B12R0.114 COCC(C)C(=O)NCCCCO 527a_100000750430_100000751857 [0,2,0,0,0,0|2,0,0]=4 11776 B12R0.114 COCC(C)C(=O)NCCCSC 11a_100000749238_100000751857 [0,2,0,0,0,0|2,0,0]=4 11777 B12R0.114 COCC(C)C(=O)NCCCSC 1626a_100000749238_100000751857 [0,2,0,0,0,0|2,0,0]=4 11778 B12R0.114 COCC(C)C(=O)NCCCSC 240690a_100000749238_100000751857 [0,2,0,0,0,0|2,0,0]=4 11779 B12R0.114 COCC(C)C(=O)NCCCSC 527a_100000749238_100000751857 [0,2,0,0,0,0|2,0,0]=4 11780 B12R0.114 COCCCCC(=O)C(C)COC 1458a_100000751857_100000755781 [0,2,0,0,0,0|2,0,0]=4 11781 B12R0.114 COCCCCC(=O)C(C)CSC 1458a_100000753918_100000755781 [0,2,0,0,0,0|2,0,0]=4 11782 B12R0.114 COCCCNC(=O)C(C)COC 1626a_100150723488_100000751857 [0,2,0,0,0,0|2,0,0]=4 11783 B12R0.114 COCCCNC(=O)C(C)COC 240690a_100150723488_100000751857 [0,2,0,0,0,0|2,0,0]=4 11784 B12R0.114 COCCCNC(=O)C(C)COC 527a_100150723488_100000751857 [0,2,0,0,0,0|2,0,0]=4 11785 B12R0.114 COCCCNC(=O)C(C)CSC 1626a_100150723488_100000753918 [0,2,0,0,0,0|2,0,0]=4 11786 B12R0.114 COCCCNC(=O)C(C)CSC 240690a_100150723488_100000753918 [0,2,0,0,0,0|2,0,0]=4 11787 B12R0.114 COCCCNC(=O)C(C)CSC 527a_100150723488_100000753918 [0,2,0,0,0,0|2,0,0]=4 11788 B12R0.114 CSCC(=O)N(C)CCCCCO 240690a_100000722520_100000184570 [0,2,0,0,0,0|2,0,0]=4 11789 B12R0.114 CSCC(C)C(=O)CCCCCF 1458a_100000753918_100000729378 [0,2,0,0,0,0|2,0,0]=4 11790 B12R0.114 CSCC(C)C(=O)CCCCCO 1458a_100000753918_100000746330 [0,2,0,0,0,0|2,0,0]=4 11791 B12R0.114 CSCC(C)C(=O)NCCCCO 240690a_100000750430_100000753918 [0,2,0,0,0,0|2,0,0]=4 11792 B12R0.114 CSCC(C)C(=O)NCCCCO 527a_100000750430_100000753918 [0,2,0,0,0,0|2,0,0]=4 11793 B12R0.114 CSCCCNC(=O)C(C)CSC 11a_100000749238_100000753918 [0,2,0,0,0,0|2,0,0]=4 11794 B12R0.114 CSCCCNC(=O)C(C)CSC 1626a_100000749238_100000753918 [0,2,0,0,0,0|2,0,0]=4 11795 B12R0.114 CSCCCNC(=O)C(C)CSC 240690a_100000749238_100000753918 [0,2,0,0,0,0|2,0,0]=4 11796 B12R0.114 CSCCCNC(=O)C(C)CSC 527a_100000749238_100000753918 [0,2,0,0,0,0|2,0,0]=4 11797 B12R0.121 C#CC(CCC)OCCCCCC 34a_200011217317_100000210314 [0,2,0,0,0,0|1,0,1]=4 11798 B12R0.121 C#CC(CCC)OCCCCCC 7a_200011217317_100000210314 [0,2,0,0,0,0|1,0,1]=4 11799 B12R0.121 C#CC(CCC)OCCCCCF 34a_200011217317_100000729378 [0,2,0,0,0,0|1,0,1]=4 11800 B12R0.121 C#CC(CCC)OCCCCCF 7a_200011217317_100000729378 [0,2,0,0,0,0|1,0,1]=4 11801 B12R0.121 C#CC(CCC)OCCCCCO 34a_200011217317_100000746330 [0,2,0,0,0,0|1,0,1]=4 11802 B12R0.121 C#CC(CCC)OCCCCCO 7a_200011217317_100000746330 [0,2,0,0,0,0|1,0,1]=4 11803 B12R0.121 C#CC(CCC)OCCCCOC 34a_200011217317_100000755781 [0,2,0,0,0,0|1,0,1]=4 11804 B12R0.121 C#CC(CCC)OCCCCOC 7a_200011217317_100000730899 [0,2,0,0,0,0|1,0,1]=4 11805 B12R0.121 C#CC(CCC)OCCCOCC 34a_200011217317_100012232248 [0,2,0,0,0,0|1,0,1]=4 11806 B12R0.121 C#CC(CCC)OCCCOCC 7a_200011217317_100012232248 [0,2,0,0,0,0|1,0,1]=4 11807 B12R0.121 C#CC(CCC)OCCOCCC 34a_200011217317_100011215938 [0,2,0,0,0,0|1,0,1]=4 11808 B12R0.121 C#CC(CCC)OCCOCCC 7a_200011217317_100011215938 [0,2,0,0,0,0|1,0,1]=4 11809 B12R0.121 C#CC(CCC)OCOCCCC 34a_200011217317_100011995733 [0,2,0,0,0,0|1,0,1]=4 11810 B12R0.121 C=CC(=NNCCCCC)CCC 4a_100000694160_200011215120 [0,2,0,0,0,0|2,0,0]=4 11811 B12R0.121 C=CC(CCC)OCCCCCC 34a_100011216692_100000210314 [0,2,0,0,0,0|1,0,1]=4 11812 B12R0.121 C=CC(CCC)OCCCCCC 7a_100011216692_100000210314 [0,2,0,0,0,0|1,0,1]=4 11813 B12R0.121 C=CC(CCC)OCCCCCF 34a_100011216692_100000729378 [0,2,0,0,0,0|1,0,1]=4 11814 B12R0.121 C=CC(CCC)OCCCCCF 7a_100011216692_100000729378 [0,2,0,0,0,0|1,0,1]=4 11815 B12R0.121 C=CC(CCC)OCCCCCO 34a_100011216692_100000746330 [0,2,0,0,0,0|1,0,1]=4 11816 B12R0.121 C=CC(CCC)OCCCCCO 7a_100011216692_100000746330 [0,2,0,0,0,0|1,0,1]=4 11817 B12R0.121 C=CC(CCC)OCCCCOC 34a_100011216692_100000755781 [0,2,0,0,0,0|1,0,1]=4 11818 B12R0.121 C=CC(CCC)OCCCCOC 7a_100011216692_100000730899 [0,2,0,0,0,0|1,0,1]=4 11819 B12R0.121 C=CC(CCC)OCCCOCC 34a_100011216692_100012232248 [0,2,0,0,0,0|1,0,1]=4 11820 B12R0.121 C=CC(CCC)OCCCOCC 7a_100011216692_100012232248 [0,2,0,0,0,0|1,0,1]=4 11821 B12R0.121 C=CC(CCC)OCCOCCC 34a_100011216692_100011215938 [0,2,0,0,0,0|1,0,1]=4 11822 B12R0.121 C=CC(CCC)OCCOCCC 7a_100011216692_100011215938 [0,2,0,0,0,0|1,0,1]=4 11823 B12R0.121 C=CC(CCC)OCOCCCC 34a_100011216692_100011995733 [0,2,0,0,0,0|1,0,1]=4 11824 B12R0.121 CCCC(C#N)OCCCCCF 34a_100000686963_100000729378 [0,2,0,0,0,0|1,0,1]=4 11825 B12R0.121 CCCC(C#N)OCCCCCF 7a_100000686963_100000729378 [0,2,0,0,0,0|1,0,1]=4 11826 B12R0.121 CCCC(C#N)OCCCCCO 34a_100000686963_100000746330 [0,2,0,0,0,0|1,0,1]=4 11827 B12R0.121 CCCC(C#N)OCCCCCO 7a_100000686963_100000746330 [0,2,0,0,0,0|1,0,1]=4 11828 B12R0.121 CCCC(C#N)OCCCCOC 34a_100000686963_100000755781 [0,2,0,0,0,0|1,0,1]=4 11829 B12R0.121 CCCC(C#N)OCCCCOC 7a_100000686963_100000730899 [0,2,0,0,0,0|1,0,1]=4 11830 B12R0.121 CCCC(C#N)OCCCOCC 34a_100000686963_100012232248 [0,2,0,0,0,0|1,0,1]=4 11831 B12R0.121 CCCC(C#N)OCCCOCC 7a_100000686963_100012232248 [0,2,0,0,0,0|1,0,1]=4 11832 B12R0.121 CCCC(CC)OCCCCCBr 7a_100000746331_100011219200 [0,2,0,0,0,0|1,0,1]=4 11833 B12R0.121 CCCC(CC)OCCCCCCl 7a_100000746330_100011219200 [0,2,0,0,0,0|1,0,1]=4 11834 B12R0.121 CCCC(CC)OCCCCCF 34a_100000687864_100000729378 [0,2,0,0,0,0|1,0,1]=4 11835 B12R0.121 CCCC(CC)OCCCCCF 7a_100000687864_100000729378 [0,2,0,0,0,0|1,0,1]=4 11836 B12R0.121 CCCC(CC)OCCCCCI 7a_200012148887_100011219200 [0,2,0,0,0,0|1,0,1]=4 11837 B12R0.121 CCCC(CC)OCCCCCO 34a_100000687864_100000746330 [0,2,0,0,0,0|1,0,1]=4 11838 B12R0.121 CCCC(CC)OCCCCCO 7a_100000687864_100000746330 [0,2,0,0,0,0|1,0,1]=4 11839 B12R0.121 CCCC(CC)OCCCCOC 34a_100000687864_100000755781 [0,2,0,0,0,0|1,0,1]=4 11840 B12R0.121 CCCC(CC)OCCCCOC 7a_100000687864_100000730899 [0,2,0,0,0,0|1,0,1]=4 11841 B12R0.121 CCCC(CC)OCCCCSC 7a_100011217163_100011219200 [0,2,0,0,0,0|1,0,1]=4 11842 B12R0.121 CCCC(CC)OCCCOCC 34a_100000687864_100012232248 [0,2,0,0,0,0|1,0,1]=4 11843 B12R0.121 CCCC(CC)OCCCOCC 7a_100000687864_100012232248 [0,2,0,0,0,0|1,0,1]=4 11844 B12R0.121 CCCC(CC)OCCCOCC 7a_100000757476_100011219200 [0,2,0,0,0,0|1,0,1]=4 11845 B12R0.121 CCCC(CC)OCCCSCC 7a_100011216438_100011219200 [0,2,0,0,0,0|1,0,1]=4 11846 B12R0.121 CCCCCCOC(C#N)CCC 34a_100000686963_100000210314 [0,2,0,0,0,0|1,0,1]=4 11847 B12R0.121 CCCCCCOC(C#N)CCC 7a_100000686963_100000210314 [0,2,0,0,0,0|1,0,1]=4 11848 B12R0.121 CCCCCCOC(CC)CCC 34a_100000687864_100000210314 [0,2,0,0,0,0|1,0,1]=4 11849 B12R0.121 CCCCCCOC(CC)CCC 7a_100000210259_100011219200 [0,2,0,0,0,0|1,0,1]=4 11850 B12R0.121 CCCCCCOC(CC)CCC 7a_100000687864_100000210314 [0,2,0,0,0,0|1,0,1]=4 11851 B12R0.121 CCCCCNN=C(CC)CCC 4a_100000694160_100000687865 [0,2,0,0,0,0|2,0,0]=4 11852 B12R0.121 CCCCOCOC(C#N)CCC 34a_100000686963_100011995733 [0,2,0,0,0,0|1,0,1]=4 11853 B12R0.121 CCCCOCOC(CC)CCC 34a_100000687864_100011995733 [0,2,0,0,0,0|1,0,1]=4 11854 B12R0.121 CCCOCCOC(C#N)CCC 34a_100000686963_100011215938 [0,2,0,0,0,0|1,0,1]=4 11855 B12R0.121 CCCOCCOC(C#N)CCC 7a_100000686963_100011215938 [0,2,0,0,0,0|1,0,1]=4 11856 B12R0.121 CCCOCCOC(CC)CCC 34a_100000687864_100011215938 [0,2,0,0,0,0|1,0,1]=4 11857 B12R0.121 CCCOCCOC(CC)CCC 7a_100000687864_100011215938 [0,2,0,0,0,0|1,0,1]=4 11858 B12R0.121 CCCOCCOC(CC)CCC 7a_100000752267_100011219200 [0,2,0,0,0,0|1,0,1]=4 11859 B12R0.121 CCCSCCOC(CC)CCC 7a_200000230433_100011219200 [0,2,0,0,0,0|1,0,1]=4 11860 B12R0.206 C#CCCC(=O)C#CCCCCC 1458a_100011215388_100000753159 [0,2,0,0,0,0|1,0,1]=4 11861 B12R0.206 C#CCCC(=O)C=CCCCCC 1458a_100016263427_100000753159 [0,2,0,0,0,0|1,0,1]=4 11862 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000211969_100000753159 [0,2,0,0,0,0|1,0,1]=4 11863 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000692101_100000210614 [0,2,0,0,0,0|1,0,1]=4 11864 B12R0.206 C#CCCC(=O)CCCCCCF 1458a_100000692101_100015922095 [0,2,0,0,0,0|1,0,1]=4 11865 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100000692101_100000766143 [0,2,0,0,0,0|1,0,1]=4 11866 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100011996774_100000753159 [0,2,0,0,0,0|1,0,1]=4 11867 B12R0.206 C#CCCC(=O)CCCCCOC 1458a_100011935119_100000753159 [0,2,0,0,0,0|1,0,1]=4 11868 B12R0.206 C#CCCC(=O)CCOCCCC 1458a_100000692101_100000743108 [0,2,0,0,0,0|1,0,1]=4 11869 B12R0.206 C#CCCC(=O)CCOCCCC 34a_100011064465_100000210210 [0,2,0,0,0,0|1,0,1]=4 11870 B12R0.206 C#CCCC(=O)CCOCCCC 7a_100011064465_100000210211 [0,2,0,0,0,0|1,0,1]=4 11871 B12R0.206 C#CCCC(=O)NCCCCCC 11a_100000210581_100000692101 [0,2,0,0,0,0|1,0,1]=4 11872 B12R0.206 C#CCCC(=O)NCCCCCC 1626a_100000210581_100000692101 [0,2,0,0,0,0|1,0,1]=4 11873 B12R0.206 C#CCCC(=O)NCCCCCC 240690a_100000210581_100000692101 [0,2,0,0,0,0|1,0,1]=4 11874 B12R0.206 C#CCCC(=O)NCCCCCC 527a_100000210581_100000692101 [0,2,0,0,0,0|1,0,1]=4 11875 B12R0.206 C#CCCC(=O)NCCCCCO 240690a_100000762737_100000692101 [0,2,0,0,0,0|1,0,1]=4 11876 B12R0.206 C#CCCC(=O)NCCCOCC 11a_100000210961_100000692101 [0,2,0,0,0,0|1,0,1]=4 11877 B12R0.206 C#CCCC(=O)NCCCOCC 1626a_100000210961_100000692101 [0,2,0,0,0,0|1,0,1]=4 11878 B12R0.206 C#CCCC(=O)NCCCOCC 240690a_100000210961_100000692101 [0,2,0,0,0,0|1,0,1]=4 11879 B12R0.206 C#CCCC(=O)NCCCOCC 527a_100000210961_100000692101 [0,2,0,0,0,0|1,0,1]=4 11880 B12R0.206 C#CCCC(=O)NCCOCCC 1626a_100161115042_100000692101 [0,2,0,0,0,0|1,0,1]=4 11881 B12R0.206 C#CCCC(=O)NCCOCCC 240690a_100161115042_100000692101 [0,2,0,0,0,0|1,0,1]=4 11882 B12R0.206 C#CCCC(=O)NCCOCCC 527a_100161115042_100000692101 [0,2,0,0,0,0|1,0,1]=4 11883 B12R0.206 C#CCCC(=O)NCCSCCC 11a_100020603323_100000692101 [0,2,0,0,0,0|1,0,1]=4 11884 B12R0.206 C#CCCC(=O)NCCSCCC 240690a_100020603323_100000692101 [0,2,0,0,0,0|1,0,1]=4 11885 B12R0.206 C#CCCC(=O)NCCSCCC 527a_100020603323_100000692101 [0,2,0,0,0,0|1,0,1]=4 11886 B12R0.206 C#CCCC(=O)NNCCCCC 22a_100000694160_100000692101 [0,2,0,0,0,0|1,0,1]=4 11887 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000210183_100012094781 [0,2,0,0,0,0|1,0,1]=4 11888 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000694772_100000210211 [0,2,0,0,0,0|1,0,1]=4 11889 B12R0.206 C#CCCCCCC(=O)CCCF 1458a_100000694772_100011934791 [0,2,0,0,0,0|1,0,1]=4 11890 B12R0.206 C#CCCCCCC(=O)CCCO 1458a_100000694772_100011215043 [0,2,0,0,0,0|1,0,1]=4 11891 B12R0.206 C#CCCCCCC(=O)CCOC 1458a_100000694772_100000233755 [0,2,0,0,0,0|1,0,1]=4 11892 B12R0.206 C#CCCCCCC(=O)CCOC 1458a_100000749529_100012094781 [0,2,0,0,0,0|1,0,1]=4 11893 B12R0.206 C#CCCCCCC(=O)CCSC 1458a_100000174002_100012094781 [0,2,0,0,0,0|1,0,1]=4 11894 B12R0.206 C#CCCCCCC(=O)CCSC 1458a_100000694772_100000751147 [0,2,0,0,0,0|1,0,1]=4 11895 B12R0.206 C#CCCCCCC(=O)COCC 1458a_100000211967_100012094781 [0,2,0,0,0,0|1,0,1]=4 11896 B12R0.206 C#CCCCCCC(=O)CSCC 1458a_100000230394_100012094781 [0,2,0,0,0,0|1,0,1]=4 11897 B12R0.206 C#CCCCCCC(=O)NCCC 11a_100020643023_100000694772 [0,2,0,0,0,0|1,0,1]=4 11898 B12R0.206 C#CCCCCCC(=O)NCCC 1626a_100020643023_100000694772 [0,2,0,0,0,0|1,0,1]=4 11899 B12R0.206 C#CCCCCCC(=O)NCCC 240690a_100020643023_100000694772 [0,2,0,0,0,0|1,0,1]=4 11900 B12R0.206 C#CCCCCCC(=O)NCCC 527a_100020643023_100000694772 [0,2,0,0,0,0|1,0,1]=4 11901 B12R0.206 C#CCCCCNC(=O)CCCC 11a_100000706060_100000210183 [0,2,0,0,0,0|1,0,1]=4 11902 B12R0.206 C#CCCCCNC(=O)CCCC 1626a_100000706060_100000210183 [0,2,0,0,0,0|1,0,1]=4 11903 B12R0.206 C#CCCCCNC(=O)CCCC 240690a_100000706060_100000210183 [0,2,0,0,0,0|1,0,1]=4 11904 B12R0.206 C#CCCCCNC(=O)CCCC 527a_100000706060_100000210183 [0,2,0,0,0,0|1,0,1]=4 11905 B12R0.206 C#CCCCCNC(=O)CCOC 11a_100000706060_100000749529 [0,2,0,0,0,0|1,0,1]=4 11906 B12R0.206 C#CCCCCNC(=O)CCOC 1626a_100000706060_100000749529 [0,2,0,0,0,0|1,0,1]=4 11907 B12R0.206 C#CCCCCNC(=O)CCOC 240690a_100000706060_100000749529 [0,2,0,0,0,0|1,0,1]=4 11908 B12R0.206 C#CCCCCNC(=O)CCOC 527a_100000706060_100000749529 [0,2,0,0,0,0|1,0,1]=4 11909 B12R0.206 C#CCCCCNC(=O)CCSC 11a_100000706060_100000174002 [0,2,0,0,0,0|1,0,1]=4 11910 B12R0.206 C#CCCCCNC(=O)CCSC 1626a_100000706060_100000174002 [0,2,0,0,0,0|1,0,1]=4 11911 B12R0.206 C#CCCCCNC(=O)CCSC 240690a_100000706060_100000174002 [0,2,0,0,0,0|1,0,1]=4 11912 B12R0.206 C#CCCCCNC(=O)CCSC 527a_100000706060_100000174002 [0,2,0,0,0,0|1,0,1]=4 11913 B12R0.206 C#CCCCCNC(=O)COCC 11a_100000706060_100000211967 [0,2,0,0,0,0|1,0,1]=4 11914 B12R0.206 C#CCCCCNC(=O)COCC 1626a_100000706060_100000211967 [0,2,0,0,0,0|1,0,1]=4 11915 B12R0.206 C#CCCCCNC(=O)COCC 240690a_100000706060_100000211967 [0,2,0,0,0,0|1,0,1]=4 11916 B12R0.206 C#CCCCCNC(=O)COCC 527a_100000706060_100000211967 [0,2,0,0,0,0|1,0,1]=4 11917 B12R0.206 C#CCCCCNC(=O)CSCC 11a_100000706060_100000230394 [0,2,0,0,0,0|1,0,1]=4 11918 B12R0.206 C#CCCCCNC(=O)CSCC 1626a_100000706060_100000230394 [0,2,0,0,0,0|1,0,1]=4 11919 B12R0.206 C#CCCCCNC(=O)CSCC 240690a_100000706060_100000230394 [0,2,0,0,0,0|1,0,1]=4 11920 B12R0.206 C#CCCCCNC(=O)CSCC 527a_100000706060_100000230394 [0,2,0,0,0,0|1,0,1]=4 11921 B12R0.206 C#CCCCCNC(=O)NCCC 2708a_100000706060_100020643023 [0,2,0,0,0,0|1,0,1]=4 11922 B12R0.206 C#CCCCCNC(=O)NCCC 2708a_100020643023_100000706060 [0,2,0,0,0,0|1,0,1]=4 11923 B12R0.206 C#CCCCCNC(=O)NCCC 273464a_100000706060_100020643023 [0,2,0,0,0,0|1,0,1]=4 11924 B12R0.206 C#CCCCCNC(=O)NCCC 273464a_100020643023_100000706060 [0,2,0,0,0,0|1,0,1]=4 11925 B12R0.206 C#CCCCCNC(=O)NCCC 512a_100000706060_100020643023 [0,2,0,0,0,0|1,0,1]=4 11926 B12R0.206 C#CCCCCNC(=O)NCCC 512a_100020643023_100000706060 [0,2,0,0,0,0|1,0,1]=4 11927 B12R0.206 C#CCCCOCC(=O)NCCC 34a_100000215630_100000183358 [0,2,0,0,0,0|0,0,2]=4 11928 B12R0.206 C#CCCCOCC(=O)NCCC 7a_100000215630_100000183358 [0,2,0,0,0,0|0,0,2]=4 11929 B12R0.206 C#CCCCOCC(=O)OCCC 34a_100000215630_200011215008 [0,2,0,0,0,0|0,0,2]=4 11930 B12R0.206 C#CCCCOCC(=O)OCCC 7a_100000215630_200011215008 [0,2,0,0,0,0|0,0,2]=4 11931 B12R0.206 C#CCCNCOC(=O)OCCC 34a_100000755551_200000139673 [0,2,0,0,0,0|0,0,2]=4 11932 B12R0.206 C#CCCOCOC(=O)OCCC 34a_100011215631_200000139673 [0,2,0,0,0,0|0,0,2]=4 11933 B12R0.206 C#CCCSCOC(=O)OCCC 62a_100000688953_200000139673 [0,2,0,0,0,0|0,0,2]=4 11934 B12R0.206 C/C=C/CC(=O)C#CCCCCC 1458a_100011215388_100102629194 [0,2,0,0,0,0|1,0,1]=4 11935 B12R0.206 C/C=C/CC(=O)C=CCCCCC 1458a_100016263427_100102629194 [0,2,0,0,0,0|1,0,1]=4 11936 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,2,0,0,0,0|1,0,1]=4 11937 B12R0.206 C/C=C/CC(=O)CCCCCCO 1458a_100011996774_100102629194 [0,2,0,0,0,0|1,0,1]=4 11938 B12R0.206 C/C=C/CC(=O)CCCCCOC 1458a_100011935119_100102629194 [0,2,0,0,0,0|1,0,1]=4 11939 B12R0.206 C/C=C/CCOCC(=O)NCCC 34a_100016278192_100000183358 [0,2,0,0,0,0|0,0,2]=4 11940 B12R0.206 C/C=C/CCOCC(=O)OCCC 34a_100016278192_200011215008 [0,2,0,0,0,0|0,0,2]=4 11941 B12R0.206 C/C=C/COCOC(=O)OCCC 34a_100016270725_200000139673 [0,2,0,0,0,0|0,0,2]=4 11942 B12R0.206 C/C=C/CSCOC(=O)OCCC 62a_100102629194_200000139673 [0,2,0,0,0,0|0,0,2]=4 11943 B12R0.206 C=C(COCCCCC)OCOC 34a_100000210253_100000042856 [0,2,0,0,0,0|2,0,0]=4 11944 B12R0.206 C=CCCC(=O)C#CCCCCC 1458a_100011215388_100000754431 [0,2,0,0,0,0|1,0,1]=4 11945 B12R0.206 C=CCCC(=O)C=CCCCCC 1458a_100016263427_100000754431 [0,2,0,0,0,0|1,0,1]=4 11946 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,2,0,0,0,0|1,0,1]=4 11947 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,2,0,0,0,0|1,0,1]=4 11948 B12R0.206 C=CCCC(=O)CCCCCCF 1458a_100000749702_100015922095 [0,2,0,0,0,0|1,0,1]=4 11949 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [0,2,0,0,0,0|1,0,1]=4 11950 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [0,2,0,0,0,0|1,0,1]=4 11951 B12R0.206 C=CCCC(=O)CCCCCOC 1458a_100011935119_100000754431 [0,2,0,0,0,0|1,0,1]=4 11952 B12R0.206 C=CCCC(=O)CCOCCCC 1458a_100000749702_100000743108 [0,2,0,0,0,0|1,0,1]=4 11953 B12R0.206 C=CCCC(=O)NCCCCCC 11a_100000210581_100000749702 [0,2,0,0,0,0|1,0,1]=4 11954 B12R0.206 C=CCCC(=O)NCCCCCC 1626a_100000210581_100000749702 [0,2,0,0,0,0|1,0,1]=4 11955 B12R0.206 C=CCCC(=O)NCCCCCC 240690a_100000210581_100000749702 [0,2,0,0,0,0|1,0,1]=4 11956 B12R0.206 C=CCCC(=O)NCCCCCC 527a_100000210581_100000749702 [0,2,0,0,0,0|1,0,1]=4 11957 B12R0.206 C=CCCC(=O)NCCCCCO 240690a_100000762737_100000749702 [0,2,0,0,0,0|1,0,1]=4 11958 B12R0.206 C=CCCC(=O)NCCCOCC 11a_100000210961_100000749702 [0,2,0,0,0,0|1,0,1]=4 11959 B12R0.206 C=CCCC(=O)NCCCOCC 1626a_100000210961_100000749702 [0,2,0,0,0,0|1,0,1]=4 11960 B12R0.206 C=CCCC(=O)NCCCOCC 240690a_100000210961_100000749702 [0,2,0,0,0,0|1,0,1]=4 11961 B12R0.206 C=CCCC(=O)NCCCOCC 527a_100000210961_100000749702 [0,2,0,0,0,0|1,0,1]=4 11962 B12R0.206 C=CCCC(=O)NCCOCCC 1626a_100161115042_100000749702 [0,2,0,0,0,0|1,0,1]=4 11963 B12R0.206 C=CCCC(=O)NCCOCCC 240690a_100161115042_100000749702 [0,2,0,0,0,0|1,0,1]=4 11964 B12R0.206 C=CCCC(=O)NCCOCCC 527a_100161115042_100000749702 [0,2,0,0,0,0|1,0,1]=4 11965 B12R0.206 C=CCCC(=O)NCCSCCC 11a_100020603323_100000749702 [0,2,0,0,0,0|1,0,1]=4 11966 B12R0.206 C=CCCC(=O)NCCSCCC 240690a_100020603323_100000749702 [0,2,0,0,0,0|1,0,1]=4 11967 B12R0.206 C=CCCC(=O)NCCSCCC 527a_100020603323_100000749702 [0,2,0,0,0,0|1,0,1]=4 11968 B12R0.206 C=CCCC(=O)NNCCCCC 22a_100000694160_100000749702 [0,2,0,0,0,0|1,0,1]=4 11969 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [0,2,0,0,0,0|1,0,1]=4 11970 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [0,2,0,0,0,0|1,0,1]=4 11971 B12R0.206 C=CCCCCCC(=O)CCCF 1458a_100011934241_100011934791 [0,2,0,0,0,0|1,0,1]=4 11972 B12R0.206 C=CCCCCCC(=O)CCCO 1458a_100011934241_100011215043 [0,2,0,0,0,0|1,0,1]=4 11973 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100000749529_100000700193 [0,2,0,0,0,0|1,0,1]=4 11974 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100011934241_100000233755 [0,2,0,0,0,0|1,0,1]=4 11975 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100000174002_100000700193 [0,2,0,0,0,0|1,0,1]=4 11976 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100011934241_100000751147 [0,2,0,0,0,0|1,0,1]=4 11977 B12R0.206 C=CCCCCCC(=O)COCC 1458a_100000211967_100000700193 [0,2,0,0,0,0|1,0,1]=4 11978 B12R0.206 C=CCCCCCC(=O)CSCC 1458a_100000230394_100000700193 [0,2,0,0,0,0|1,0,1]=4 11979 B12R0.206 C=CCCCCCC(=O)NCCC 11a_100020643023_100011934241 [0,2,0,0,0,0|1,0,1]=4 11980 B12R0.206 C=CCCCCCC(=O)NCCC 1626a_100020643023_100011934241 [0,2,0,0,0,0|1,0,1]=4 11981 B12R0.206 C=CCCCCCC(=O)NCCC 240690a_100020643023_100011934241 [0,2,0,0,0,0|1,0,1]=4 11982 B12R0.206 C=CCCCCCC(=O)NCCC 527a_100020643023_100011934241 [0,2,0,0,0,0|1,0,1]=4 11983 B12R0.206 C=CCCCCNC(=O)CCCC 11a_100000703577_100000210183 [0,2,0,0,0,0|1,0,1]=4 11984 B12R0.206 C=CCCCCNC(=O)CCCC 1626a_100000703577_100000210183 [0,2,0,0,0,0|1,0,1]=4 11985 B12R0.206 C=CCCCCNC(=O)CCCC 240690a_100000703577_100000210183 [0,2,0,0,0,0|1,0,1]=4 11986 B12R0.206 C=CCCCCNC(=O)CCCC 527a_100000703577_100000210183 [0,2,0,0,0,0|1,0,1]=4 11987 B12R0.206 C=CCCCCNC(=O)CCOC 11a_100000703577_100000749529 [0,2,0,0,0,0|1,0,1]=4 11988 B12R0.206 C=CCCCCNC(=O)CCOC 1626a_100000703577_100000749529 [0,2,0,0,0,0|1,0,1]=4 11989 B12R0.206 C=CCCCCNC(=O)CCOC 240690a_100000703577_100000749529 [0,2,0,0,0,0|1,0,1]=4 11990 B12R0.206 C=CCCCCNC(=O)CCOC 527a_100000703577_100000749529 [0,2,0,0,0,0|1,0,1]=4 11991 B12R0.206 C=CCCCCNC(=O)CCSC 11a_100000703577_100000174002 [0,2,0,0,0,0|1,0,1]=4 11992 B12R0.206 C=CCCCCNC(=O)CCSC 1626a_100000703577_100000174002 [0,2,0,0,0,0|1,0,1]=4 11993 B12R0.206 C=CCCCCNC(=O)CCSC 240690a_100000703577_100000174002 [0,2,0,0,0,0|1,0,1]=4 11994 B12R0.206 C=CCCCCNC(=O)CCSC 527a_100000703577_100000174002 [0,2,0,0,0,0|1,0,1]=4 11995 B12R0.206 C=CCCCCNC(=O)COCC 11a_100000703577_100000211967 [0,2,0,0,0,0|1,0,1]=4 11996 B12R0.206 C=CCCCCNC(=O)COCC 1626a_100000703577_100000211967 [0,2,0,0,0,0|1,0,1]=4 11997 B12R0.206 C=CCCCCNC(=O)COCC 240690a_100000703577_100000211967 [0,2,0,0,0,0|1,0,1]=4 11998 B12R0.206 C=CCCCCNC(=O)COCC 527a_100000703577_100000211967 [0,2,0,0,0,0|1,0,1]=4 11999 B12R0.206 C=CCCCCNC(=O)CSCC 11a_100000703577_100000230394 [0,2,0,0,0,0|1,0,1]=4 12000 B12R0.206 C=CCCCCNC(=O)CSCC 1626a_100000703577_100000230394 [0,2,0,0,0,0|1,0,1]=4 12001 B12R0.206 C=CCCCCNC(=O)CSCC 240690a_100000703577_100000230394 [0,2,0,0,0,0|1,0,1]=4 12002 B12R0.206 C=CCCCCNC(=O)CSCC 527a_100000703577_100000230394 [0,2,0,0,0,0|1,0,1]=4 12003 B12R0.206 C=CCCCCNC(=O)NCCC 2708a_100000703577_100020643023 [0,2,0,0,0,0|1,0,1]=4 12004 B12R0.206 C=CCCCCNC(=O)NCCC 2708a_100020643023_100000703577 [0,2,0,0,0,0|1,0,1]=4 12005 B12R0.206 C=CCCCCNC(=O)NCCC 273464a_100000703577_100020643023 [0,2,0,0,0,0|1,0,1]=4 12006 B12R0.206 C=CCCCCNC(=O)NCCC 273464a_100020643023_100000703577 [0,2,0,0,0,0|1,0,1]=4 12007 B12R0.206 C=CCCCCNC(=O)NCCC 512a_100000703577_100020643023 [0,2,0,0,0,0|1,0,1]=4 12008 B12R0.206 C=CCCCCNC(=O)NCCC 512a_100020643023_100000703577 [0,2,0,0,0,0|1,0,1]=4 12009 B12R0.206 C=CCCCOCC(=O)NCCC 34a_100000758997_100000183358 [0,2,0,0,0,0|0,0,2]=4 12010 B12R0.206 C=CCCCOCC(=O)NCCC 7a_100000758997_100000183358 [0,2,0,0,0,0|0,0,2]=4 12011 B12R0.206 C=CCCCOCC(=O)OCCC 34a_100000758997_200011215008 [0,2,0,0,0,0|0,0,2]=4 12012 B12R0.206 C=CCCCOCC(=O)OCCC 7a_100000758997_200011215008 [0,2,0,0,0,0|0,0,2]=4 12013 B12R0.206 C=CCCOCOC(=O)OCCC 34a_100011205117_200000139673 [0,2,0,0,0,0|0,0,2]=4 12014 B12R0.206 C=CCCSCOC(=O)OCCC 62a_100000754431_200000139673 [0,2,0,0,0,0|0,0,2]=4 12015 B12R0.206 C=CCNC(=O)COCCCCC 7a_100000210253_100000183597 [0,2,0,0,0,0|0,0,2]=4 12016 B12R0.206 C=CCOC(=O)COCCCCC 34a_100000210253_100000033060 [0,2,0,0,0,0|0,0,2]=4 12017 B12R0.206 C=CCOC(=O)COCCCCC 7a_100000210253_100000033060 [0,2,0,0,0,0|0,0,2]=4 12018 B12R0.206 CC#CCC(=O)C#CCCCCC 1458a_100011215388_100000748600 [0,2,0,0,0,0|1,0,1]=4 12019 B12R0.206 CC#CCC(=O)C=CCCCCC 1458a_100016263427_100000748600 [0,2,0,0,0,0|1,0,1]=4 12020 B12R0.206 CC#CCC(=O)CCCCCCC 1458a_100000211969_100000748600 [0,2,0,0,0,0|1,0,1]=4 12021 B12R0.206 CC#CCC(=O)CCCCCCO 1458a_100011996774_100000748600 [0,2,0,0,0,0|1,0,1]=4 12022 B12R0.206 CC#CCC(=O)CCCCCOC 1458a_100011935119_100000748600 [0,2,0,0,0,0|1,0,1]=4 12023 B12R0.206 CC#CCCOCC(=O)NCCC 34a_100000750427_100000183358 [0,2,0,0,0,0|0,0,2]=4 12024 B12R0.206 CC#CCCOCC(=O)OCCC 34a_100000750427_200011215008 [0,2,0,0,0,0|0,0,2]=4 12025 B12R0.206 CC#CCNCOC(=O)OCCC 34a_100000685387_200000139673 [0,2,0,0,0,0|0,0,2]=4 12026 B12R0.206 CC#CCOCOC(=O)OCCC 34a_100000761923_200000139673 [0,2,0,0,0,0|0,0,2]=4 12027 B12R0.206 CC#CCSCOC(=O)OCCC 62a_100000748600_200000139673 [0,2,0,0,0,0|0,0,2]=4 12028 B12R0.206 CC(CCCCl)OCCCCCF 34a_200000718107_100000729378 [0,2,0,0,0,0|1,0,1]=4 12029 B12R0.206 CC(CCCCl)OCCCCCF 7a_200000718107_100000729378 [0,2,0,0,0,0|1,0,1]=4 12030 B12R0.206 CC(CCCCl)OCCCCCO 34a_200000718107_100000746330 [0,2,0,0,0,0|1,0,1]=4 12031 B12R0.206 CC(CCCCl)OCCCCCO 7a_200000718107_100000746330 [0,2,0,0,0,0|1,0,1]=4 12032 B12R0.206 CC/C=C\COCC(=O)NCCC 34a_100016268518_100000183358 [0,2,0,0,0,0|0,0,2]=4 12033 B12R0.206 CC/C=C\COCC(=O)OCCC 34a_100016268518_200011215008 [0,2,0,0,0,0|0,0,2]=4 12034 B12R0.206 CC=CCC(=O)C#CCCCCC 1458a_100011215388_100000070051 [0,2,0,0,0,0|1,0,1]=4 12035 B12R0.206 CC=CCC(=O)C=CCCCCC 1458a_100016263427_100000070051 [0,2,0,0,0,0|1,0,1]=4 12036 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,2,0,0,0,0|1,0,1]=4 12037 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,2,0,0,0,0|1,0,1]=4 12038 B12R0.206 CC=CCC(=O)CCCCCCF 1458a_100121576822_100015922095 [0,2,0,0,0,0|1,0,1]=4 12039 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100011996774_100000070051 [0,2,0,0,0,0|1,0,1]=4 12040 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100121576822_100000766143 [0,2,0,0,0,0|1,0,1]=4 12041 B12R0.206 CC=CCC(=O)CCCCCOC 1458a_100011935119_100000070051 [0,2,0,0,0,0|1,0,1]=4 12042 B12R0.206 CC=CCC(=O)CCOCCCC 1458a_100121576822_100000743108 [0,2,0,0,0,0|1,0,1]=4 12043 B12R0.206 CC=CCC(=O)NCCCCCC 11a_100000210581_100121576822 [0,2,0,0,0,0|1,0,1]=4 12044 B12R0.206 CC=CCC(=O)NCCCCCC 1626a_100000210581_100121576822 [0,2,0,0,0,0|1,0,1]=4 12045 B12R0.206 CC=CCC(=O)NCCCCCC 240690a_100000210581_100121576822 [0,2,0,0,0,0|1,0,1]=4 12046 B12R0.206 CC=CCC(=O)NCCCCCC 527a_100000210581_100121576822 [0,2,0,0,0,0|1,0,1]=4 12047 B12R0.206 CC=CCC(=O)NCCCCCO 240690a_100000762737_100121576822 [0,2,0,0,0,0|1,0,1]=4 12048 B12R0.206 CC=CCC(=O)NCCCOCC 11a_100000210961_100121576822 [0,2,0,0,0,0|1,0,1]=4 12049 B12R0.206 CC=CCC(=O)NCCCOCC 1626a_100000210961_100121576822 [0,2,0,0,0,0|1,0,1]=4 12050 B12R0.206 CC=CCC(=O)NCCCOCC 240690a_100000210961_100121576822 [0,2,0,0,0,0|1,0,1]=4 12051 B12R0.206 CC=CCC(=O)NCCCOCC 527a_100000210961_100121576822 [0,2,0,0,0,0|1,0,1]=4 12052 B12R0.206 CC=CCC(=O)NCCOCCC 1626a_100161115042_100121576822 [0,2,0,0,0,0|1,0,1]=4 12053 B12R0.206 CC=CCC(=O)NCCOCCC 240690a_100161115042_100121576822 [0,2,0,0,0,0|1,0,1]=4 12054 B12R0.206 CC=CCC(=O)NCCOCCC 527a_100161115042_100121576822 [0,2,0,0,0,0|1,0,1]=4 12055 B12R0.206 CC=CCC(=O)NCCSCCC 11a_100020603323_100121576822 [0,2,0,0,0,0|1,0,1]=4 12056 B12R0.206 CC=CCC(=O)NCCSCCC 240690a_100020603323_100121576822 [0,2,0,0,0,0|1,0,1]=4 12057 B12R0.206 CC=CCC(=O)NCCSCCC 527a_100020603323_100121576822 [0,2,0,0,0,0|1,0,1]=4 12058 B12R0.206 CC=CCC(=O)NNCCCCC 22a_100000694160_100121576822 [0,2,0,0,0,0|1,0,1]=4 12059 B12R0.206 CC=CCSCOC(=O)OCCC 62a_100000070051_200000139673 [0,2,0,0,0,0|0,0,2]=4 12060 B12R0.206 CCC#CC(=O)CCCCCCC 1458a_100011827653_100000210614 [0,2,0,0,0,0|1,0,1]=4 12061 B12R0.206 CCC#CC(=O)CCCCCCF 1458a_100011827653_100015922095 [0,2,0,0,0,0|1,0,1]=4 12062 B12R0.206 CCC#CC(=O)CCCCCCO 1458a_100011827653_100000766143 [0,2,0,0,0,0|1,0,1]=4 12063 B12R0.206 CCC#CC(=O)CCOCCCC 1458a_100011827653_100000743108 [0,2,0,0,0,0|1,0,1]=4 12064 B12R0.206 CCC#CC(=O)NNCCCCC 22a_100000694160_100011827653 [0,2,0,0,0,0|1,0,1]=4 12065 B12R0.206 CCC#CCOCC(=O)NCCC 34a_100000032950_100000183358 [0,2,0,0,0,0|0,0,2]=4 12066 B12R0.206 CCC#CCOCC(=O)OCCC 34a_100000032950_200011215008 [0,2,0,0,0,0|0,0,2]=4 12067 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,2,0,0,0,0|1,0,1]=4 12068 B12R0.206 CCC=CC(=O)CCCCCCF 1458a_100000212282_100015922095 [0,2,0,0,0,0|1,0,1]=4 12069 B12R0.206 CCC=CC(=O)CCCCCCO 1458a_100000212282_100000766143 [0,2,0,0,0,0|1,0,1]=4 12070 B12R0.206 CCC=CC(=O)CCOCCCC 1458a_100000212282_100000743108 [0,2,0,0,0,0|1,0,1]=4 12071 B12R0.206 CCC=CC(=O)NCCCCCC 11a_100000210581_100000212282 [0,2,0,0,0,0|1,0,1]=4 12072 B12R0.206 CCC=CC(=O)NCCCCCC 1626a_100000210581_100000212282 [0,2,0,0,0,0|1,0,1]=4 12073 B12R0.206 CCC=CC(=O)NCCCCCC 240690a_100000210581_100000212282 [0,2,0,0,0,0|1,0,1]=4 12074 B12R0.206 CCC=CC(=O)NCCCCCO 240690a_100000762737_100000212282 [0,2,0,0,0,0|1,0,1]=4 12075 B12R0.206 CCC=CC(=O)NCCCOCC 11a_100000210961_100000212282 [0,2,0,0,0,0|1,0,1]=4 12076 B12R0.206 CCC=CC(=O)NCCCOCC 1626a_100000210961_100000212282 [0,2,0,0,0,0|1,0,1]=4 12077 B12R0.206 CCC=CC(=O)NCCCOCC 240690a_100000210961_100000212282 [0,2,0,0,0,0|1,0,1]=4 12078 B12R0.206 CCC=CC(=O)NCCOCCC 1626a_100161115042_100000212282 [0,2,0,0,0,0|1,0,1]=4 12079 B12R0.206 CCC=CC(=O)NCCOCCC 240690a_100161115042_100000212282 [0,2,0,0,0,0|1,0,1]=4 12080 B12R0.206 CCC=CC(=O)NCCSCCC 11a_100020603323_100000212282 [0,2,0,0,0,0|1,0,1]=4 12081 B12R0.206 CCC=CC(=O)NCCSCCC 240690a_100020603323_100000212282 [0,2,0,0,0,0|1,0,1]=4 12082 B12R0.206 CCC=CC(=O)NNCCCCC 22a_100000694160_100000212282 [0,2,0,0,0,0|1,0,1]=4 12083 B12R0.206 CCCC/C=C/CC(=O)CCCC 1458a_200016282684_100000210211 [0,2,0,0,0,0|1,0,1]=4 12084 B12R0.206 CCCC/C=C/CC(=O)CCCF 1458a_200016282684_100011934791 [0,2,0,0,0,0|1,0,1]=4 12085 B12R0.206 CCCC/C=C/CC(=O)CCCO 1458a_200016282684_100011215043 [0,2,0,0,0,0|1,0,1]=4 12086 B12R0.206 CCCC/C=C/CC(=O)CCOC 1458a_200016282684_100000233755 [0,2,0,0,0,0|1,0,1]=4 12087 B12R0.206 CCCC/C=C/CC(=O)CCSC 1458a_200016282684_100000751147 [0,2,0,0,0,0|1,0,1]=4 12088 B12R0.206 CCCC/C=C/CC(=O)NCCC 11a_100020643023_200016282684 [0,2,0,0,0,0|1,0,1]=4 12089 B12R0.206 CCCC/C=C/CC(=O)NCCC 1626a_100020643023_200016282684 [0,2,0,0,0,0|1,0,1]=4 12090 B12R0.206 CCCC/C=C/CC(=O)NCCC 240690a_100020643023_200016282684 [0,2,0,0,0,0|1,0,1]=4 12091 B12R0.206 CCCC/C=C/CC(=O)NCCC 527a_100020643023_200016282684 [0,2,0,0,0,0|1,0,1]=4 12092 B12R0.206 CCCCC(=O)CCCCCC#N 1458a_100000210183_100009813376 [0,2,0,0,0,0|1,0,1]=4 12093 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,2,0,0,0,0|1,0,0]=3 12094 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,2,0,0,0,0|1,0,0]=3 12095 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,2,0,0,0,0|1,0,0]=3 12096 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,2,0,0,0,0|1,0,0]=3 12097 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000210183_100000695917 [0,2,0,0,0,0|2,0,0]=4 12098 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000745395_100000210211 [0,2,0,0,0,0|2,0,0]=4 12099 B12R0.206 CCCCC(=O)NCCCCC#N 11a_100000751965_100000210183 [0,2,0,0,0,0|1,0,1]=4 12100 B12R0.206 CCCCC(=O)NCCCCC#N 1626a_100000751965_100000210183 [0,2,0,0,0,0|1,0,1]=4 12101 B12R0.206 CCCCC(=O)NCCCCC#N 240690a_100000751965_100000210183 [0,2,0,0,0,0|1,0,1]=4 12102 B12R0.206 CCCCC(=O)NCCCCC#N 527a_100000751965_100000210183 [0,2,0,0,0,0|1,0,1]=4 12103 B12R0.206 CCCCC(=O)NCCCCCO 240690a_100000762737_100000210183 [0,2,0,0,0,0|1,0,0]=3 12104 B12R0.206 CCCCC(=O)NCCCOCC 11a_100000210961_100000210183 [0,2,0,0,0,0|1,0,0]=3 12105 B12R0.206 CCCCC(=O)NCCCOCC 1626a_100000210961_100000210183 [0,2,0,0,0,0|1,0,0]=3 12106 B12R0.206 CCCCC(=O)NCCCOCC 240690a_100000210961_100000210183 [0,2,0,0,0,0|1,0,0]=3 12107 B12R0.206 CCCCC(=O)NCCCOCC 527a_100000210961_100000210183 [0,2,0,0,0,0|1,0,0]=3 12108 B12R0.206 CCCCC(=O)NCCOCCC 1626a_100161115042_100000210183 [0,2,0,0,0,0|1,0,0]=3 12109 B12R0.206 CCCCC(=O)NCCOCCC 240690a_100161115042_100000210183 [0,2,0,0,0,0|1,0,0]=3 12110 B12R0.206 CCCCC(=O)NCCOCCC 527a_100161115042_100000210183 [0,2,0,0,0,0|1,0,0]=3 12111 B12R0.206 CCCCC(=O)NCCOCCO 240690a_100000211614_100000210183 [0,2,0,0,0,0|2,0,0]=4 12112 B12R0.206 CCCCC(=O)NCCSCCC 11a_100020603323_100000210183 [0,2,0,0,0,0|1,0,0]=3 12113 B12R0.206 CCCCC(=O)NCCSCCC 240690a_100020603323_100000210183 [0,2,0,0,0,0|1,0,0]=3 12114 B12R0.206 CCCCC(=O)NCCSCCC 527a_100020603323_100000210183 [0,2,0,0,0,0|1,0,0]=3 12115 B12R0.206 CCCCC(=O)NCCSCCO 240690a_100011219999_100000210183 [0,2,0,0,0,0|2,0,0]=4 12116 B12R0.206 CCCCC(=O)NCCSCCO 527a_100011219999_100000210183 [0,2,0,0,0,0|2,0,0]=4 12117 B12R0.206 CCCCC(=O)NNCCCOC 22a_100025702787_100000210183 [0,2,0,0,0,0|2,0,0]=4 12118 B12R0.206 CCCCC(=O)NNCCOCC 22a_100000732670_100000210183 [0,2,0,0,0,0|2,0,0]=4 12119 B12R0.206 CCCCC(C)OCCCCCBr 34a_100000746331_200011215066 [0,2,0,0,0,0|1,0,1]=4 12120 B12R0.206 CCCCC(C)OCCCCCBr 7a_100000746331_200011215066 [0,2,0,0,0,0|1,0,1]=4 12121 B12R0.206 CCCCC(C)OCCCCCCl 34a_100000746330_200011215066 [0,2,0,0,0,0|1,0,1]=4 12122 B12R0.206 CCCCC(C)OCCCCCCl 7a_100000746330_200011215066 [0,2,0,0,0,0|1,0,1]=4 12123 B12R0.206 CCCCC(C)OCCCCCF 34a_100000687866_100000729378 [0,2,0,0,0,0|1,0,1]=4 12124 B12R0.206 CCCCC(C)OCCCCCF 7a_100000687866_100000729378 [0,2,0,0,0,0|1,0,1]=4 12125 B12R0.206 CCCCC(C)OCCCCCI 34a_200012148887_200011215066 [0,2,0,0,0,0|1,0,1]=4 12126 B12R0.206 CCCCC(C)OCCCCCI 7a_200012148887_200011215066 [0,2,0,0,0,0|1,0,1]=4 12127 B12R0.206 CCCCC(C)OCCCCCN 34a_100000762737_200011215066 [0,2,0,0,0,0|1,0,1]=4 12128 B12R0.206 CCCCC(C)OCCCCCO 34a_100000687866_100000746330 [0,2,0,0,0,0|1,0,1]=4 12129 B12R0.206 CCCCC(C)OCCCCCO 7a_100000687866_100000746330 [0,2,0,0,0,0|1,0,1]=4 12130 B12R0.206 CCCCC(C)OCCCCOC 34a_100000687866_100000755781 [0,2,0,0,0,0|1,0,1]=4 12131 B12R0.206 CCCCC(C)OCCCCOC 34a_100000740925_200011215066 [0,2,0,0,0,0|1,0,1]=4 12132 B12R0.206 CCCCC(C)OCCCCOC 7a_100000687866_100000730899 [0,2,0,0,0,0|1,0,1]=4 12133 B12R0.206 CCCCC(C)OCCCCSC 34a_100011217163_200011215066 [0,2,0,0,0,0|1,0,1]=4 12134 B12R0.206 CCCCC(C)OCCCCSC 7a_100011217163_200011215066 [0,2,0,0,0,0|1,0,1]=4 12135 B12R0.206 CCCCC(C)OCCCOCC 34a_100000687866_100012232248 [0,2,0,0,0,0|1,0,1]=4 12136 B12R0.206 CCCCC(C)OCCCOCC 34a_100000757476_200011215066 [0,2,0,0,0,0|1,0,1]=4 12137 B12R0.206 CCCCC(C)OCCCOCC 7a_100000687866_100012232248 [0,2,0,0,0,0|1,0,1]=4 12138 B12R0.206 CCCCC(C)OCCCOCC 7a_100000757476_200011215066 [0,2,0,0,0,0|1,0,1]=4 12139 B12R0.206 CCCCC(C)OCCCSCC 34a_100011216438_200011215066 [0,2,0,0,0,0|1,0,1]=4 12140 B12R0.206 CCCCC(C)OCCCSCC 7a_100011216438_200011215066 [0,2,0,0,0,0|1,0,1]=4 12141 B12R0.206 CCCCC(C)OCCOCCC 34a_100000687866_100011215938 [0,2,0,0,0,0|1,0,1]=4 12142 B12R0.206 CCCCC(C)OCCOCCC 34a_100000752267_200011215066 [0,2,0,0,0,0|1,0,1]=4 12143 B12R0.206 CCCCC(C)OCCOCCC 7a_100000687866_100011215938 [0,2,0,0,0,0|1,0,1]=4 12144 B12R0.206 CCCCC(C)OCCOCCC 7a_100000752267_200011215066 [0,2,0,0,0,0|1,0,1]=4 12145 B12R0.206 CCCCC(C)OCCSCCC 34a_200000230433_200011215066 [0,2,0,0,0,0|1,0,1]=4 12146 B12R0.206 CCCCC(C)OCCSCCC 7a_200000230433_200011215066 [0,2,0,0,0,0|1,0,1]=4 12147 B12R0.206 CCCCC=NNC(=O)CCCC 4a_100000189769_100000210104 [0,2,0,0,0,0|1,0,1]=4 12148 B12R0.206 CCCCC=NNC(=O)CCOC 4a_100011260505_100000210104 [0,2,0,0,0,0|1,0,1]=4 12149 B12R0.206 CCCCC=NNC(=O)COCC 4a_100000216846_100000210104 [0,2,0,0,0,0|1,0,1]=4 12150 B12R0.206 CCCCCC#CC(=O)CCC#N 1458a_100011215388_100011215226 [0,2,0,0,0,0|1,0,1]=4 12151 B12R0.206 CCCCCC#CC(=O)CCCC 1458a_100011215388_100000210211 [0,2,0,0,0,0|1,0,0]=3 12152 B12R0.206 CCCCCC#CC(=O)CCCF 1458a_100011215388_100011934791 [0,2,0,0,0,0|1,0,0]=3 12153 B12R0.206 CCCCCC#CC(=O)CCCO 1458a_100011215388_100011215043 [0,2,0,0,0,0|1,0,0]=3 12154 B12R0.206 CCCCCC#CC(=O)CCOC 1458a_100011215388_100000233755 [0,2,0,0,0,0|1,0,0]=3 12155 B12R0.206 CCCCCC#CC(=O)CCSC 1458a_100011215388_100000751147 [0,2,0,0,0,0|1,0,0]=3 12156 B12R0.206 CCCCCC#CC(=O)NCCC 240690a_100020643023_100011215388 [0,2,0,0,0,0|1,0,0]=3 12157 B12R0.206 CCCCCC#CC(=O)NCCF 240690a_100000724931_100011215388 [0,2,0,0,0,0|2,0,0]=4 12158 B12R0.206 CCCCCC#CC(=O)NCCO 240690a_100000210304_100011215388 [0,2,0,0,0,0|2,0,0]=4 12159 B12R0.206 CCCCCC#CC(=O)NNCC 22a_100000756455_100011215388 [0,2,0,0,0,0|2,0,0]=4 12160 B12R0.206 CCCCCC=CC(=O)CCC#N 1458a_100016263427_100011215226 [0,2,0,0,0,0|1,0,1]=4 12161 B12R0.206 CCCCCC=CC(=O)CCCC 1458a_100016263427_100000210211 [0,2,0,0,0,0|1,0,0]=3 12162 B12R0.206 CCCCCC=CC(=O)CCCF 1458a_100016263427_100011934791 [0,2,0,0,0,0|1,0,0]=3 12163 B12R0.206 CCCCCC=CC(=O)CCCO 1458a_100016263427_100011215043 [0,2,0,0,0,0|1,0,0]=3 12164 B12R0.206 CCCCCC=CC(=O)CCOC 1458a_100016263427_100000233755 [0,2,0,0,0,0|1,0,0]=3 12165 B12R0.206 CCCCCC=CC(=O)CCSC 1458a_100016263427_100000751147 [0,2,0,0,0,0|1,0,0]=3 12166 B12R0.206 CCCCCC=CC(=O)NCCC 11a_100020643023_100016263427 [0,2,0,0,0,0|1,0,0]=3 12167 B12R0.206 CCCCCC=CC(=O)NCCC 1626a_100020643023_100016263427 [0,2,0,0,0,0|1,0,0]=3 12168 B12R0.206 CCCCCC=CC(=O)NCCC 240690a_100020643023_100016263427 [0,2,0,0,0,0|1,0,0]=3 12169 B12R0.206 CCCCCC=CC(=O)NCCF 11a_100000724931_100016263427 [0,2,0,0,0,0|2,0,0]=4 12170 B12R0.206 CCCCCC=CC(=O)NCCF 1626a_100000724931_100016263427 [0,2,0,0,0,0|2,0,0]=4 12171 B12R0.206 CCCCCC=CC(=O)NCCF 240690a_100000724931_100016263427 [0,2,0,0,0,0|2,0,0]=4 12172 B12R0.206 CCCCCC=CC(=O)NCCO 240690a_100000210304_100016263427 [0,2,0,0,0,0|2,0,0]=4 12173 B12R0.206 CCCCCC=CC(=O)NNCC 22a_100000756455_100016263427 [0,2,0,0,0,0|2,0,0]=4 12174 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100000211969_100011215226 [0,2,0,0,0,0|1,0,1]=4 12175 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100011934036_100000210614 [0,2,0,0,0,0|1,0,1]=4 12176 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,2,0,0,0,0|1,0,0]=3 12177 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,2,0,0,0,0|1,0,0]=3 12178 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,2,0,0,0,0|1,0,0]=3 12179 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,2,0,0,0,0|1,0,0]=3 12180 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,2,0,0,0,0|1,0,0]=3 12181 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,2,0,0,0,0|1,0,0]=3 12182 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,2,0,0,0,0|1,0,0]=3 12183 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,2,0,0,0,0|1,0,0]=3 12184 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,2,0,0,0,0|1,0,0]=3 12185 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,2,0,0,0,0|1,0,0]=3 12186 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 12187 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 12188 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 12189 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 12190 B12R0.206 CCCCCCCC(=O)NCCF 11a_100000724931_100000211969 [0,2,0,0,0,0|2,0,0]=4 12191 B12R0.206 CCCCCCCC(=O)NCCF 1626a_100000724931_100000211969 [0,2,0,0,0,0|2,0,0]=4 12192 B12R0.206 CCCCCCCC(=O)NCCF 240690a_100000724931_100000211969 [0,2,0,0,0,0|2,0,0]=4 12193 B12R0.206 CCCCCCCC(=O)NCCF 527a_100000724931_100000211969 [0,2,0,0,0,0|2,0,0]=4 12194 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [0,2,0,0,0,0|2,0,0]=4 12195 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [0,2,0,0,0,0|2,0,0]=4 12196 B12R0.206 CCCCCCCC(=O)NNCC 22a_100000756455_100000211969 [0,2,0,0,0,0|2,0,0]=4 12197 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [0,2,0,0,0,0|2,0,0]=4 12198 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [0,2,0,0,0,0|2,0,0]=4 12199 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [0,2,0,0,0,0|2,0,0]=4 12200 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [0,2,0,0,0,0|2,0,0]=4 12201 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [0,2,0,0,0,0|2,0,0]=4 12202 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [0,2,0,0,0,0|2,0,0]=4 12203 B12R0.206 CCCCCCNC(=O)CCC#N 11a_100000210581_100011934036 [0,2,0,0,0,0|1,0,1]=4 12204 B12R0.206 CCCCCCNC(=O)CCC#N 1626a_100000210581_100011934036 [0,2,0,0,0,0|1,0,1]=4 12205 B12R0.206 CCCCCCNC(=O)CCC#N 240690a_100000210581_100011934036 [0,2,0,0,0,0|1,0,1]=4 12206 B12R0.206 CCCCCCNC(=O)CCC#N 527a_100000210581_100011934036 [0,2,0,0,0,0|1,0,1]=4 12207 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 12208 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 12209 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 12210 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 12211 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 12212 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 12213 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 12214 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 12215 B12R0.206 CCCCCCNC(=O)CCSC 11a_100000210581_100000174002 [0,2,0,0,0,0|1,0,0]=3 12216 B12R0.206 CCCCCCNC(=O)CCSC 1626a_100000210581_100000174002 [0,2,0,0,0,0|1,0,0]=3 12217 B12R0.206 CCCCCCNC(=O)CCSC 240690a_100000210581_100000174002 [0,2,0,0,0,0|1,0,0]=3 12218 B12R0.206 CCCCCCNC(=O)CCSC 527a_100000210581_100000174002 [0,2,0,0,0,0|1,0,0]=3 12219 B12R0.206 CCCCCCNC(=O)CNCC 2230a_100015525214_100000230325 [0,2,0,0,0,0|1,0,0]=3 12220 B12R0.206 CCCCCCNC(=O)COCC 11a_100000210581_100000211967 [0,2,0,0,0,0|1,0,0]=3 12221 B12R0.206 CCCCCCNC(=O)COCC 1626a_100000210581_100000211967 [0,2,0,0,0,0|1,0,0]=3 12222 B12R0.206 CCCCCCNC(=O)COCC 240690a_100000210581_100000211967 [0,2,0,0,0,0|1,0,0]=3 12223 B12R0.206 CCCCCCNC(=O)COCC 34a_100121572206_100000230325 [0,2,0,0,0,0|1,0,0]=3 12224 B12R0.206 CCCCCCNC(=O)COCC 527a_100000210581_100000211967 [0,2,0,0,0,0|1,0,0]=3 12225 B12R0.206 CCCCCCNC(=O)CSCC 11a_100000210581_100000230394 [0,2,0,0,0,0|1,0,0]=3 12226 B12R0.206 CCCCCCNC(=O)CSCC 1626a_100000210581_100000230394 [0,2,0,0,0,0|1,0,0]=3 12227 B12R0.206 CCCCCCNC(=O)CSCC 240690a_100000210581_100000230394 [0,2,0,0,0,0|1,0,0]=3 12228 B12R0.206 CCCCCCNC(=O)CSCC 527a_100000210581_100000230394 [0,2,0,0,0,0|1,0,0]=3 12229 B12R0.206 CCCCCCNC(=O)CSCC 62a_100000230325_100000210202 [0,2,0,0,0,0|1,0,0]=3 12230 B12R0.206 CCCCCCNC(=O)CSCF 62a_100000230325_100015361967 [0,2,0,0,0,0|2,0,0]=4 12231 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100000210581_100020643023 [0,2,0,0,0,0|1,0,0]=3 12232 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100020643023_100000210581 [0,2,0,0,0,0|1,0,0]=3 12233 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100000210581_100020643023 [0,2,0,0,0,0|1,0,0]=3 12234 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100020643023_100000210581 [0,2,0,0,0,0|1,0,0]=3 12235 B12R0.206 CCCCCCNC(=O)NCCC 512a_100000210581_100020643023 [0,2,0,0,0,0|1,0,0]=3 12236 B12R0.206 CCCCCCNC(=O)NCCC 512a_100020643023_100000210581 [0,2,0,0,0,0|1,0,0]=3 12237 B12R0.206 CCCCCCNC(=O)NCCF 2708a_100000210581_100000724931 [0,2,0,0,0,0|2,0,0]=4 12238 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000210581_100000724931 [0,2,0,0,0,0|2,0,0]=4 12239 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000724931_100000210581 [0,2,0,0,0,0|2,0,0]=4 12240 B12R0.206 CCCCCCNC(=O)NCCF 512a_100000210581_100000724931 [0,2,0,0,0,0|2,0,0]=4 12241 B12R0.206 CCCCCCNC(=O)NCCO 2708a_100000210581_100000210304 [0,2,0,0,0,0|2,0,0]=4 12242 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210304_100000210581 [0,2,0,0,0,0|2,0,0]=4 12243 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210581_100000210304 [0,2,0,0,0,0|2,0,0]=4 12244 B12R0.206 CCCCCCNC(=O)NCCO 512a_100000210581_100000210304 [0,2,0,0,0,0|2,0,0]=4 12245 B12R0.206 CCCCCCNC(=O)NNCC 273464a_100000210581_100000756455 [0,2,0,0,0,0|2,0,0]=4 12246 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000210581_100000756455 [0,2,0,0,0,0|2,0,0]=4 12247 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000756455_100000210581 [0,2,0,0,0,0|2,0,0]=4 12248 B12R0.206 CCCCCCOC(C)CCCC 34a_100000210259_200011215066 [0,2,0,0,0,0|1,0,1]=4 12249 B12R0.206 CCCCCCOC(C)CCCC 34a_100000687866_100000210314 [0,2,0,0,0,0|1,0,1]=4 12250 B12R0.206 CCCCCCOC(C)CCCC 7a_100000210259_200011215066 [0,2,0,0,0,0|1,0,1]=4 12251 B12R0.206 CCCCCCOC(C)CCCC 7a_100000687866_100000210314 [0,2,0,0,0,0|1,0,1]=4 12252 B12R0.206 CCCCCCOC(C)CCCCl 34a_200000718107_100000210314 [0,2,0,0,0,0|1,0,1]=4 12253 B12R0.206 CCCCCCOC(C)CCCCl 7a_200000718107_100000210314 [0,2,0,0,0,0|1,0,1]=4 12254 B12R0.206 CCCCCCOC(C)COCC 34a_100000718985_100000210314 [0,2,0,0,0,0|1,0,1]=4 12255 B12R0.206 CCCCCCOC(C)COCC 7a_100000718985_100000210314 [0,2,0,0,0,0|1,0,1]=4 12256 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000174927_100000210326 [0,2,0,0,0,0|1,0,0]=3 12257 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000209983_100000183358 [0,2,0,0,0,0|1,0,0]=3 12258 B12R0.206 CCCCCNCC(=O)NCCF 2230a_100000725713_100000210326 [0,2,0,0,0,0|2,0,0]=4 12259 B12R0.206 CCCCCNCC(=O)OCCC 2230a_100000209983_200011215008 [0,2,0,0,0,0|1,0,0]=3 12260 B12R0.206 CCCCCNN=C(C)CCCC 4a_100000694160_100000210087 [0,2,0,0,0,0|2,0,0]=4 12261 B12R0.206 CCCCCNN=C(C)CCCO 4a_100000694160_100000759063 [0,2,0,0,0,0|2,0,0]=4 12262 B12R0.206 CCCCCNN=C(C)CCOC 4a_100000694160_100000742357 [0,2,0,0,0,0|2,0,0]=4 12263 B12R0.206 CCCCCNN=C(C)CCSC 4a_100000694160_100011217047 [0,2,0,0,0,0|2,0,0]=4 12264 B12R0.206 CCCCCNN=C(C)CSCC 4a_100000694160_200011216171 [0,2,0,0,0,0|2,0,0]=4 12265 B12R0.206 CCCCCNNC(=O)CCC#N 22a_100000694160_100011934036 [0,2,0,0,0,0|1,0,1]=4 12266 B12R0.206 CCCCCNNC(=O)CCCC 22a_100000694160_100000210183 [0,2,0,0,0,0|1,0,0]=3 12267 B12R0.206 CCCCCNNC(=O)CCOC 22a_100000694160_100000749529 [0,2,0,0,0,0|1,0,0]=3 12268 B12R0.206 CCCCCNNC(=O)CCSC 22a_100000694160_100000174002 [0,2,0,0,0,0|1,0,0]=3 12269 B12R0.206 CCCCCNNC(=O)COCC 22a_100000694160_100000211967 [0,2,0,0,0,0|1,0,0]=3 12270 B12R0.206 CCCCCNNC(=O)CSCC 22a_100000694160_100000230394 [0,2,0,0,0,0|1,0,0]=3 12271 B12R0.206 CCCCCNNC(=O)NCCC 273464a_100020643023_100000694160 [0,2,0,0,0,0|1,0,0]=3 12272 B12R0.206 CCCCCNNC(=O)NCCC 512a_100000694160_100020643023 [0,2,0,0,0,0|1,0,0]=3 12273 B12R0.206 CCCCCNNC(=O)NCCC 512a_100020643023_100000694160 [0,2,0,0,0,0|1,0,0]=3 12274 B12R0.206 CCCCCNNC(=O)NCCF 273464a_100000724931_100000694160 [0,2,0,0,0,0|2,0,0]=4 12275 B12R0.206 CCCCCNNC(=O)NCCF 512a_100000694160_100000724931 [0,2,0,0,0,0|2,0,0]=4 12276 B12R0.206 CCCCCNNC(=O)NCCO 273464a_100000210304_100000694160 [0,2,0,0,0,0|2,0,0]=4 12277 B12R0.206 CCCCCNNC(=O)NCCO 512a_100000694160_100000210304 [0,2,0,0,0,0|2,0,0]=4 12278 B12R0.206 CCCCCNNC(=O)NNCC 512a_100000694160_100000756455 [0,2,0,0,0,0|2,0,0]=4 12279 B12R0.206 CCCCCNNC(=O)NNCC 512a_100000756455_100000694160 [0,2,0,0,0,0|2,0,0]=4 12280 B12R0.206 CCCCCOCC(=O)NCC#N 7a_100000210253_100000736037 [0,2,0,0,0,0|1,0,1]=4 12281 B12R0.206 CCCCCOCC(=O)NCCC 34a_100000210253_100000183358 [0,2,0,0,0,0|0,0,0]=2 12282 B12R0.206 CCCCCOCC(=O)NCCC 7a_100000210253_100000183358 [0,2,0,0,0,0|0,0,0]=2 12283 B12R0.206 CCCCCOCC(=O)OCCC 34a_100000210253_200011215008 [0,2,0,0,0,0|0,0,0]=2 12284 B12R0.206 CCCCCOCC(=O)OCCC 7a_100000210253_200011215008 [0,2,0,0,0,0|0,0,0]=2 12285 B12R0.206 CCCCCOCC(C)CCCC 34a_100011995851_100000718602 [0,2,0,0,0,0|1,0,1]=4 12286 B12R0.206 CCCCCOCC(C)CCCC 7a_100011995851_100000210326 [0,2,0,0,0,0|1,0,1]=4 12287 B12R0.206 CCCCCOC[C@@H](N)CCCC 34a_100011934283_100000718602 [0,2,0,0,0,0|1,0,1]=4 12288 B12R0.206 CCCCCOC[C@@H](N)CCSC 34a_100011827619_100000718602 [0,2,0,0,0,0|1,0,1]=4 12289 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000183358_100000210326 [0,2,0,0,0,0|0,1,0]=3 12290 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000210326_100000183358 [0,2,0,0,0,0|0,1,0]=3 12291 B12R0.206 CCCCCSCC(=O)OCCC 62a_100000210326_200011215008 [0,2,0,0,0,0|0,1,0]=3 12292 B12R0.206 CCCCCSCC(=O)OCCC 62a_200011215008_100000210326 [0,2,0,0,0,0|0,1,0]=3 12293 B12R0.206 CCCCNCOC(=O)OCCC 7a_106832991798_200000139673 [0,2,0,0,0,0|0,0,0]=2 12294 B12R0.206 CCCCOCCC(=O)CCC#N 1458a_100011934036_100000743108 [0,2,0,0,0,0|1,0,1]=4 12295 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [0,2,0,0,0,0|1,0,0]=3 12296 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [0,2,0,0,0,0|1,0,0]=3 12297 B12R0.206 CCCCOCCC(=O)CCSC 1458a_100000174002_100000743108 [0,2,0,0,0,0|1,0,0]=3 12298 B12R0.206 CCCCOCCC(=O)COCC 1458a_100000211967_100000743108 [0,2,0,0,0,0|1,0,0]=3 12299 B12R0.206 CCCCOCCC(=O)CSCC 1458a_100000230394_100000743108 [0,2,0,0,0,0|1,0,0]=3 12300 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [0,2,0,0,0,0|0,0,0]=2 12301 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [0,2,0,0,0,0|0,0,0]=2 12302 B12R0.206 CCCCOCOC(C)CCCC 34a_100000687866_100011995733 [0,2,0,0,0,0|1,0,1]=4 12303 B12R0.206 CCCCOCOC(C)CCCCl 34a_200000718107_100011995733 [0,2,0,0,0,0|1,0,1]=4 12304 B12R0.206 CCCCOCOC(C)COCC 34a_100000718985_100011995733 [0,2,0,0,0,0|1,0,1]=4 12305 B12R0.206 CCCCSCOC(=O)OCCC 62a_100000210211_200000139673 [0,2,0,0,0,0|0,0,0]=2 12306 B12R0.206 CCCNC(=O)CCCCCCO 240690a_100020643023_100011996774 [0,2,0,0,0,0|1,0,0]=3 12307 B12R0.206 CCCNC(=O)CCCCCOC 11a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 12308 B12R0.206 CCCNC(=O)CCCCCOC 1626a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 12309 B12R0.206 CCCNC(=O)CCCCCOC 240690a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 12310 B12R0.206 CCCNC(=O)CCCCCOC 527a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 12311 B12R0.206 CCCNC(=O)CCCNCCO 2230a_100016997473_100011194427 [0,2,0,0,0,0|2,0,0]=4 12312 B12R0.206 CCCNC(=O)CCCSCCC 62a_100000210303_100011194427 [0,2,0,0,0,0|1,0,0]=3 12313 B12R0.206 CCCNC(=O)CCCSCCC 62a_100011194427_100000210303 [0,2,0,0,0,0|1,0,0]=3 12314 B12R0.206 CCCNC(=O)CCCSCCF 62a_100011194427_100011217306 [0,2,0,0,0,0|2,0,0]=4 12315 B12R0.206 CCCNC(=O)CCCSCCF 62a_100011217306_100011194427 [0,2,0,0,0,0|2,0,0]=4 12316 B12R0.206 CCCNC(=O)CCCSCCO 62a_100000211926_100011194427 [0,2,0,0,0,0|2,0,0]=4 12317 B12R0.206 CCCNC(=O)CCCSCCO 62a_100011194427_100000211926 [0,2,0,0,0,0|2,0,0]=4 12318 B12R0.206 CCCNC(=O)CCCSCOC 62a_100000766300_100011194427 [0,2,0,0,0,0|2,0,0]=4 12319 B12R0.206 CCCNC(=O)CCCSCOC 62a_100011194427_100000766300 [0,2,0,0,0,0|2,0,0]=4 12320 B12R0.206 CCCNC(=O)CCCSCSC 62a_100011194427_100011218213 [0,2,0,0,0,0|2,0,0]=4 12321 B12R0.206 CCCNC(=O)CCCSCSC 62a_100011218213_100011194427 [0,2,0,0,0,0|2,0,0]=4 12322 B12R0.206 CCCNC(=O)CCOCCOC 11a_100020643023_100000745395 [0,2,0,0,0,0|2,0,0]=4 12323 B12R0.206 CCCNC(=O)CCOCCOC 1626a_100020643023_100000745395 [0,2,0,0,0,0|2,0,0]=4 12324 B12R0.206 CCCNC(=O)CCOCCOC 240690a_100020643023_100000745395 [0,2,0,0,0,0|2,0,0]=4 12325 B12R0.206 CCCNC(=O)CCOCCOC 527a_100020643023_100000745395 [0,2,0,0,0,0|2,0,0]=4 12326 B12R0.206 CCCNC(=O)CNCCCCF 2230a_100000174927_100000729493 [0,2,0,0,0,0|2,0,0]=4 12327 B12R0.206 CCCNC(=O)CNCCCCO 2230a_100000174927_100000210776 [0,2,0,0,0,0|2,0,0]=4 12328 B12R0.206 CCCNC(=O)CNCCCCO 2230a_100000750430_100000183358 [0,2,0,0,0,0|2,0,0]=4 12329 B12R0.206 CCCNC(=O)CNCCCCO 34a_100000750430_100000183358 [0,2,0,0,0,0|2,0,0]=4 12330 B12R0.206 CCCNC(=O)CNCCCOC 2230a_100000174927_100000740836 [0,2,0,0,0,0|2,0,0]=4 12331 B12R0.206 CCCNC(=O)CNCCCOC 34a_100150723488_100000183358 [0,2,0,0,0,0|2,0,0]=4 12332 B12R0.206 CCCNC(=O)CNCCCSC 2230a_100000749238_100000183358 [0,2,0,0,0,0|2,0,0]=4 12333 B12R0.206 CCCNC(=O)CNCCOCC 2230a_100000174927_100011215890 [0,2,0,0,0,0|2,0,0]=4 12334 B12R0.206 CCCNC(=O)CNCCOCC 2230a_102516460346_100000183358 [0,2,0,0,0,0|2,0,0]=4 12335 B12R0.206 CCCNC(=O)CNCCOCC 34a_102516460346_100000183358 [0,2,0,0,0,0|2,0,0]=4 12336 B12R0.206 CCCNC(=O)CNCCSCC 2230a_100000106463_100000183358 [0,2,0,0,0,0|2,0,0]=4 12337 B12R0.206 CCCNC(=O)CNCCSCC 2230a_100000174927_100000757381 [0,2,0,0,0,0|2,0,0]=4 12338 B12R0.206 CCCNC(=O)COCCCCBr 34a_100011216708_100000183358 [0,2,0,0,0,0|1,0,0]=3 12339 B12R0.206 CCCNC(=O)COCCCCCl 34a_100000210776_100000183358 [0,2,0,0,0,0|1,0,0]=3 12340 B12R0.206 CCCNC(=O)COCCCCCl 7a_100000210776_100000183358 [0,2,0,0,0,0|1,0,0]=3 12341 B12R0.206 CCCNC(=O)COCCCCF 34a_100011995726_100000183358 [0,2,0,0,0,0|1,0,0]=3 12342 B12R0.206 CCCNC(=O)COCCCCF 7a_100011995726_100000183358 [0,2,0,0,0,0|1,0,0]=3 12343 B12R0.206 CCCNC(=O)COCCCCI 34a_200012148704_100000183358 [0,2,0,0,0,0|1,0,0]=3 12344 B12R0.206 CCCNC(=O)COCCCCN 34a_100000750430_100000183358 [0,2,0,0,0,0|1,0,0]=3 12345 B12R0.206 CCCNC(=O)COCCCNC 34a_100000213112_100000183358 [0,2,0,0,0,0|1,0,0]=3 12346 B12R0.206 CCCNC(=O)COCCCOC 34a_100000740835_100000183358 [0,2,0,0,0,0|1,0,0]=3 12347 B12R0.206 CCCNC(=O)COCCCSC 34a_100000690336_100000183358 [0,2,0,0,0,0|1,0,0]=3 12348 B12R0.206 CCCNC(=O)COCCCSC 7a_100000690336_100000183358 [0,2,0,0,0,0|1,0,0]=3 12349 B12R0.206 CCCNC(=O)COCCOCC 34a_100000210136_100000183358 [0,2,0,0,0,0|1,0,0]=3 12350 B12R0.206 CCCNC(=O)COCCOCC 7a_100000210136_100000183358 [0,2,0,0,0,0|1,0,0]=3 12351 B12R0.206 CCCNC(=O)COCCSCC 34a_100000212035_100000183358 [0,2,0,0,0,0|1,0,0]=3 12352 B12R0.206 CCCNC(=O)COCCSCC 7a_100000212035_100000183358 [0,2,0,0,0,0|1,0,0]=3 12353 B12R0.206 CCCNC(=O)CSCCCCF 62a_100000183358_100000729493 [0,2,0,0,0,0|1,1,0]=4 12354 B12R0.206 CCCNC(=O)CSCCCCF 62a_100000729493_100000183358 [0,2,0,0,0,0|1,1,0]=4 12355 B12R0.206 CCCNC(=O)CSCCCCO 62a_100000183358_100000210776 [0,2,0,0,0,0|1,1,0]=4 12356 B12R0.206 CCCNC(=O)CSCCCCO 62a_100000210776_100000183358 [0,2,0,0,0,0|1,1,0]=4 12357 B12R0.206 CCCNC(=O)CSCCCOC 62a_100000183358_100000709357 [0,2,0,0,0,0|1,1,0]=4 12358 B12R0.206 CCCNC(=O)CSCCCOC 62a_100000709357_100000183358 [0,2,0,0,0,0|1,1,0]=4 12359 B12R0.206 CCCNC(=O)CSCCOCC 62a_100000183358_100011215890 [0,2,0,0,0,0|1,1,0]=4 12360 B12R0.206 CCCNC(=O)CSCCOCC 62a_100000210147_100000183358 [0,2,0,0,0,0|1,1,0]=4 12361 B12R0.206 CCCNC(=O)CSCCSCC 62a_100000183358_100000757381 [0,2,0,0,0,0|1,1,0]=4 12362 B12R0.206 CCCNC(=O)CSCCSCC 62a_100000757381_100000183358 [0,2,0,0,0,0|1,1,0]=4 12363 B12R0.206 CCCNC(=O)NCCCCC#N 2708a_100000751965_100020643023 [0,2,0,0,0,0|1,0,1]=4 12364 B12R0.206 CCCNC(=O)NCCCCC#N 2708a_100020643023_100000751965 [0,2,0,0,0,0|1,0,1]=4 12365 B12R0.206 CCCNC(=O)NCCCCC#N 273464a_100000751965_100020643023 [0,2,0,0,0,0|1,0,1]=4 12366 B12R0.206 CCCNC(=O)NCCCCC#N 273464a_100020643023_100000751965 [0,2,0,0,0,0|1,0,1]=4 12367 B12R0.206 CCCNC(=O)NCCCCC#N 512a_100000751965_100020643023 [0,2,0,0,0,0|1,0,1]=4 12368 B12R0.206 CCCNC(=O)NCCCCC#N 512a_100020643023_100000751965 [0,2,0,0,0,0|1,0,1]=4 12369 B12R0.206 CCCNC(=O)NCCCCCO 2708a_100020643023_100000762737 [0,2,0,0,0,0|1,0,0]=3 12370 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100000762737_100020643023 [0,2,0,0,0,0|1,0,0]=3 12371 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100020643023_100000762737 [0,2,0,0,0,0|1,0,0]=3 12372 B12R0.206 CCCNC(=O)NCCCCCO 512a_100000762737_100020643023 [0,2,0,0,0,0|1,0,0]=3 12373 B12R0.206 CCCNC(=O)NCCCCCO 512a_100020643023_100000762737 [0,2,0,0,0,0|1,0,0]=3 12374 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100000210961_100020643023 [0,2,0,0,0,0|1,0,0]=3 12375 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100020643023_100000210961 [0,2,0,0,0,0|1,0,0]=3 12376 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100000210961_100020643023 [0,2,0,0,0,0|1,0,0]=3 12377 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100020643023_100000210961 [0,2,0,0,0,0|1,0,0]=3 12378 B12R0.206 CCCNC(=O)NCCCOCC 512a_100000210961_100020643023 [0,2,0,0,0,0|1,0,0]=3 12379 B12R0.206 CCCNC(=O)NCCCOCC 512a_100020643023_100000210961 [0,2,0,0,0,0|1,0,0]=3 12380 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100020643023_100161115042 [0,2,0,0,0,0|1,0,0]=3 12381 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100161115042_100020643023 [0,2,0,0,0,0|1,0,0]=3 12382 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100020643023_100161115042 [0,2,0,0,0,0|1,0,0]=3 12383 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100161115042_100020643023 [0,2,0,0,0,0|1,0,0]=3 12384 B12R0.206 CCCNC(=O)NCCOCCC 512a_100020643023_100161115042 [0,2,0,0,0,0|1,0,0]=3 12385 B12R0.206 CCCNC(=O)NCCOCCC 512a_100161115042_100020643023 [0,2,0,0,0,0|1,0,0]=3 12386 B12R0.206 CCCNC(=O)NCCOCCO 2708a_100020643023_100000211614 [0,2,0,0,0,0|2,0,0]=4 12387 B12R0.206 CCCNC(=O)NCCOCCO 273464a_100000211614_100020643023 [0,2,0,0,0,0|2,0,0]=4 12388 B12R0.206 CCCNC(=O)NCCOCCO 273464a_100020643023_100000211614 [0,2,0,0,0,0|2,0,0]=4 12389 B12R0.206 CCCNC(=O)NCCOCCO 512a_100000211614_100020643023 [0,2,0,0,0,0|2,0,0]=4 12390 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020603323_100020643023 [0,2,0,0,0,0|1,0,0]=3 12391 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020643023_100020603323 [0,2,0,0,0,0|1,0,0]=3 12392 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020603323_100020643023 [0,2,0,0,0,0|1,0,0]=3 12393 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020643023_100020603323 [0,2,0,0,0,0|1,0,0]=3 12394 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020603323_100020643023 [0,2,0,0,0,0|1,0,0]=3 12395 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020643023_100020603323 [0,2,0,0,0,0|1,0,0]=3 12396 B12R0.206 CCCNC(=O)NCCSCCO 2708a_100020643023_100011219999 [0,2,0,0,0,0|2,0,0]=4 12397 B12R0.206 CCCNC(=O)NCCSCCO 273464a_100011219999_100020643023 [0,2,0,0,0,0|2,0,0]=4 12398 B12R0.206 CCCNC(=O)NCCSCCO 273464a_100020643023_100011219999 [0,2,0,0,0,0|2,0,0]=4 12399 B12R0.206 CCCNC(=O)NCCSCCO 512a_100011219999_100020643023 [0,2,0,0,0,0|2,0,0]=4 12400 B12R0.206 CCCNC(=O)NCCSCCO 512a_100020643023_100011219999 [0,2,0,0,0,0|2,0,0]=4 12401 B12R0.206 CCCNC(=O)NNCCCOC 273464a_100020643023_100025702787 [0,2,0,0,0,0|2,0,0]=4 12402 B12R0.206 CCCNC(=O)NNCCCOC 512a_100020643023_100025702787 [0,2,0,0,0,0|2,0,0]=4 12403 B12R0.206 CCCNC(=O)NNCCOCC 273464a_100020643023_100000732670 [0,2,0,0,0,0|2,0,0]=4 12404 B12R0.206 CCCNC(=O)NNCCOCC 512a_100000732670_100020643023 [0,2,0,0,0,0|2,0,0]=4 12405 B12R0.206 CCCNC(=O)NNCCOCC 512a_100020643023_100000732670 [0,2,0,0,0,0|2,0,0]=4 12406 B12R0.206 CCCOC(=O)CNCCCCO 2230a_100000750430_200011215008 [0,2,0,0,0,0|2,0,0]=4 12407 B12R0.206 CCCOC(=O)CNCCCCO 34a_100000750430_200011215008 [0,2,0,0,0,0|2,0,0]=4 12408 B12R0.206 CCCOC(=O)CNCCCOC 34a_100150723488_200011215008 [0,2,0,0,0,0|2,0,0]=4 12409 B12R0.206 CCCOC(=O)CNCCCSC 2230a_100000749238_200011215008 [0,2,0,0,0,0|2,0,0]=4 12410 B12R0.206 CCCOC(=O)CNCCOCC 2230a_102516460346_200011215008 [0,2,0,0,0,0|2,0,0]=4 12411 B12R0.206 CCCOC(=O)CNCCOCC 34a_102516460346_200011215008 [0,2,0,0,0,0|2,0,0]=4 12412 B12R0.206 CCCOC(=O)CNCCSCC 2230a_100000106463_200011215008 [0,2,0,0,0,0|2,0,0]=4 12413 B12R0.206 CCCOC(=O)COCCCCBr 34a_100011216708_200011215008 [0,2,0,0,0,0|1,0,0]=3 12414 B12R0.206 CCCOC(=O)COCCCCCl 34a_100000210776_200011215008 [0,2,0,0,0,0|1,0,0]=3 12415 B12R0.206 CCCOC(=O)COCCCCCl 7a_100000210776_200011215008 [0,2,0,0,0,0|1,0,0]=3 12416 B12R0.206 CCCOC(=O)COCCCCF 34a_100011995726_200011215008 [0,2,0,0,0,0|1,0,0]=3 12417 B12R0.206 CCCOC(=O)COCCCCF 7a_100011995726_200011215008 [0,2,0,0,0,0|1,0,0]=3 12418 B12R0.206 CCCOC(=O)COCCCCI 34a_200012148704_200011215008 [0,2,0,0,0,0|1,0,0]=3 12419 B12R0.206 CCCOC(=O)COCCCCN 34a_100000750430_200011215008 [0,2,0,0,0,0|1,0,0]=3 12420 B12R0.206 CCCOC(=O)COCCCNC 34a_100000213112_200011215008 [0,2,0,0,0,0|1,0,0]=3 12421 B12R0.206 CCCOC(=O)COCCCOC 34a_100000740835_200011215008 [0,2,0,0,0,0|1,0,0]=3 12422 B12R0.206 CCCOC(=O)COCCCSC 34a_100000690336_200011215008 [0,2,0,0,0,0|1,0,0]=3 12423 B12R0.206 CCCOC(=O)COCCCSC 7a_100000690336_200011215008 [0,2,0,0,0,0|1,0,0]=3 12424 B12R0.206 CCCOC(=O)COCCOCC 34a_100000210136_200011215008 [0,2,0,0,0,0|1,0,0]=3 12425 B12R0.206 CCCOC(=O)COCCOCC 7a_100000210136_200011215008 [0,2,0,0,0,0|1,0,0]=3 12426 B12R0.206 CCCOC(=O)COCCSCC 34a_100000212035_200011215008 [0,2,0,0,0,0|1,0,0]=3 12427 B12R0.206 CCCOC(=O)COCCSCC 7a_100000212035_200011215008 [0,2,0,0,0,0|1,0,0]=3 12428 B12R0.206 CCCOC(=O)CSCCCCF 62a_100000729493_200011215008 [0,2,0,0,0,0|1,1,0]=4 12429 B12R0.206 CCCOC(=O)CSCCCCF 62a_200011215008_100000729493 [0,2,0,0,0,0|1,1,0]=4 12430 B12R0.206 CCCOC(=O)CSCCCCO 62a_100000210776_200011215008 [0,2,0,0,0,0|1,1,0]=4 12431 B12R0.206 CCCOC(=O)CSCCCCO 62a_200011215008_100000210776 [0,2,0,0,0,0|1,1,0]=4 12432 B12R0.206 CCCOC(=O)CSCCCOC 62a_100000709357_200011215008 [0,2,0,0,0,0|1,1,0]=4 12433 B12R0.206 CCCOC(=O)CSCCCOC 62a_200011215008_100000709357 [0,2,0,0,0,0|1,1,0]=4 12434 B12R0.206 CCCOC(=O)CSCCOCC 62a_100000210147_200011215008 [0,2,0,0,0,0|1,1,0]=4 12435 B12R0.206 CCCOC(=O)CSCCOCC 62a_200011215008_100011215890 [0,2,0,0,0,0|1,1,0]=4 12436 B12R0.206 CCCOC(=O)CSCCSCC 62a_100000757381_200011215008 [0,2,0,0,0,0|1,1,0]=4 12437 B12R0.206 CCCOC(=O)CSCCSCC 62a_200011215008_100000757381 [0,2,0,0,0,0|1,1,0]=4 12438 B12R0.206 CCCOC(=O)OCNCCCF 34a_100015189416_200000139673 [0,2,0,0,0,0|1,0,0]=3 12439 B12R0.206 CCCOC(=O)OCOCCCBr 34a_100011217188_200000139673 [0,2,0,0,0,0|1,0,0]=3 12440 B12R0.206 CCCOC(=O)OCOCCCCl 34a_100000230001_200000139673 [0,2,0,0,0,0|1,0,0]=3 12441 B12R0.206 CCCOC(=O)OCOCCCF 34a_100000759539_200000139673 [0,2,0,0,0,0|1,0,0]=3 12442 B12R0.206 CCCOC(=O)OCOCCCN 34a_100000182051_200000139673 [0,2,0,0,0,0|1,0,0]=3 12443 B12R0.206 CCCOC(=O)OCOCCOC 34a_100000210237_200000139673 [0,2,0,0,0,0|1,0,0]=3 12444 B12R0.206 CCCOC(=O)OCOCCON 34a_100000700252_200000139673 [0,2,0,0,0,0|2,0,0]=4 12445 B12R0.206 CCCOC(=O)OCOCCSC 34a_100000230434_200000139673 [0,2,0,0,0,0|1,0,0]=3 12446 B12R0.206 CCCOC(=O)OCOCCSC 7a_100000230434_200000139673 [0,2,0,0,0,0|1,0,0]=3 12447 B12R0.206 CCCOC(=O)OCSCCC#N 62a_100011215226_200000139673 [0,2,0,0,0,0|1,0,1]=4 12448 B12R0.206 CCCOC(=O)OCSCCCF 62a_100011934791_200000139673 [0,2,0,0,0,0|1,0,0]=3 12449 B12R0.206 CCCOC(=O)OCSCCCO 62a_100011215043_200000139673 [0,2,0,0,0,0|1,0,0]=3 12450 B12R0.206 CCCOC(=O)OCSCCOC 62a_100000233755_200000139673 [0,2,0,0,0,0|1,0,0]=3 12451 B12R0.206 CCCOC(=O)OCSCCSC 62a_100000212216_200000139673 [0,2,0,0,0,0|1,0,0]=3 12452 B12R0.206 CCCOC(=O)OCSCOCC 62a_100000739092_200000139673 [0,2,0,0,0,0|1,0,0]=3 12453 B12R0.206 CCCOCCNC(=O)CCC#N 1626a_100161115042_100011934036 [0,2,0,0,0,0|1,0,1]=4 12454 B12R0.206 CCCOCCNC(=O)CCC#N 240690a_100161115042_100011934036 [0,2,0,0,0,0|1,0,1]=4 12455 B12R0.206 CCCOCCNC(=O)CCC#N 527a_100161115042_100011934036 [0,2,0,0,0,0|1,0,1]=4 12456 B12R0.206 CCCOCCNC(=O)CCOC 1626a_100161115042_100000749529 [0,2,0,0,0,0|1,0,0]=3 12457 B12R0.206 CCCOCCNC(=O)CCOC 240690a_100161115042_100000749529 [0,2,0,0,0,0|1,0,0]=3 12458 B12R0.206 CCCOCCNC(=O)CCOC 527a_100161115042_100000749529 [0,2,0,0,0,0|1,0,0]=3 12459 B12R0.206 CCCOCCNC(=O)CCSC 1626a_100161115042_100000174002 [0,2,0,0,0,0|1,0,0]=3 12460 B12R0.206 CCCOCCNC(=O)CCSC 240690a_100161115042_100000174002 [0,2,0,0,0,0|1,0,0]=3 12461 B12R0.206 CCCOCCNC(=O)CCSC 527a_100161115042_100000174002 [0,2,0,0,0,0|1,0,0]=3 12462 B12R0.206 CCCOCCNC(=O)COCC 1626a_100161115042_100000211967 [0,2,0,0,0,0|1,0,0]=3 12463 B12R0.206 CCCOCCNC(=O)COCC 240690a_100161115042_100000211967 [0,2,0,0,0,0|1,0,0]=3 12464 B12R0.206 CCCOCCNC(=O)COCC 527a_100161115042_100000211967 [0,2,0,0,0,0|1,0,0]=3 12465 B12R0.206 CCCOCCNC(=O)CSCC 1626a_100161115042_100000230394 [0,2,0,0,0,0|1,0,0]=3 12466 B12R0.206 CCCOCCNC(=O)CSCC 240690a_100161115042_100000230394 [0,2,0,0,0,0|1,0,0]=3 12467 B12R0.206 CCCOCCNC(=O)CSCC 527a_100161115042_100000230394 [0,2,0,0,0,0|1,0,0]=3 12468 B12R0.206 CCCOCCNC(=O)NCCF 2708a_100161115042_100000724931 [0,2,0,0,0,0|2,0,0]=4 12469 B12R0.206 CCCOCCNC(=O)NCCF 273464a_100000724931_100161115042 [0,2,0,0,0,0|2,0,0]=4 12470 B12R0.206 CCCOCCNC(=O)NCCF 273464a_100161115042_100000724931 [0,2,0,0,0,0|2,0,0]=4 12471 B12R0.206 CCCOCCNC(=O)NCCF 512a_100161115042_100000724931 [0,2,0,0,0,0|2,0,0]=4 12472 B12R0.206 CCCOCCNC(=O)NCCO 2708a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 12473 B12R0.206 CCCOCCNC(=O)NCCO 273464a_100000210304_100161115042 [0,2,0,0,0,0|2,0,0]=4 12474 B12R0.206 CCCOCCNC(=O)NCCO 273464a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 12475 B12R0.206 CCCOCCNC(=O)NCCO 512a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 12476 B12R0.206 CCCOCCNC(=O)NNCC 273464a_100161115042_100000756455 [0,2,0,0,0,0|2,0,0]=4 12477 B12R0.206 CCCOCCNC(=O)NNCC 512a_100000756455_100161115042 [0,2,0,0,0,0|2,0,0]=4 12478 B12R0.206 CCCOCCNC(=O)NNCC 512a_100161115042_100000756455 [0,2,0,0,0,0|2,0,0]=4 12479 B12R0.206 CCCOCCOC(C)CCCCl 34a_200000718107_100011215938 [0,2,0,0,0,0|1,0,1]=4 12480 B12R0.206 CCCOCCOC(C)CCCCl 7a_200000718107_100011215938 [0,2,0,0,0,0|1,0,1]=4 12481 B12R0.206 CCCOCCOC(C)COCC 34a_100000718985_100011215938 [0,2,0,0,0,0|1,0,1]=4 12482 B12R0.206 CCCOCCOC(C)COCC 7a_100000718985_100011215938 [0,2,0,0,0,0|1,0,1]=4 12483 B12R0.206 CCCSCCNC(=O)CCC#N 11a_100020603323_100011934036 [0,2,0,0,0,0|1,0,1]=4 12484 B12R0.206 CCCSCCNC(=O)CCC#N 240690a_100020603323_100011934036 [0,2,0,0,0,0|1,0,1]=4 12485 B12R0.206 CCCSCCNC(=O)CCC#N 527a_100020603323_100011934036 [0,2,0,0,0,0|1,0,1]=4 12486 B12R0.206 CCCSCCNC(=O)CCOC 11a_100020603323_100000749529 [0,2,0,0,0,0|1,0,0]=3 12487 B12R0.206 CCCSCCNC(=O)CCOC 240690a_100020603323_100000749529 [0,2,0,0,0,0|1,0,0]=3 12488 B12R0.206 CCCSCCNC(=O)CCOC 527a_100020603323_100000749529 [0,2,0,0,0,0|1,0,0]=3 12489 B12R0.206 CCCSCCNC(=O)CCSC 11a_100020603323_100000174002 [0,2,0,0,0,0|1,0,0]=3 12490 B12R0.206 CCCSCCNC(=O)CCSC 240690a_100020603323_100000174002 [0,2,0,0,0,0|1,0,0]=3 12491 B12R0.206 CCCSCCNC(=O)CCSC 527a_100020603323_100000174002 [0,2,0,0,0,0|1,0,0]=3 12492 B12R0.206 CCCSCCNC(=O)COCC 11a_100020603323_100000211967 [0,2,0,0,0,0|1,0,0]=3 12493 B12R0.206 CCCSCCNC(=O)COCC 240690a_100020603323_100000211967 [0,2,0,0,0,0|1,0,0]=3 12494 B12R0.206 CCCSCCNC(=O)COCC 527a_100020603323_100000211967 [0,2,0,0,0,0|1,0,0]=3 12495 B12R0.206 CCCSCCNC(=O)CSCC 11a_100020603323_100000230394 [0,2,0,0,0,0|1,0,0]=3 12496 B12R0.206 CCCSCCNC(=O)CSCC 240690a_100020603323_100000230394 [0,2,0,0,0,0|1,0,0]=3 12497 B12R0.206 CCCSCCNC(=O)CSCC 527a_100020603323_100000230394 [0,2,0,0,0,0|1,0,0]=3 12498 B12R0.206 CCCSCCNC(=O)NCCF 2708a_100020603323_100000724931 [0,2,0,0,0,0|2,0,0]=4 12499 B12R0.206 CCCSCCNC(=O)NCCF 273464a_100000724931_100020603323 [0,2,0,0,0,0|2,0,0]=4 12500 B12R0.206 CCCSCCNC(=O)NCCF 273464a_100020603323_100000724931 [0,2,0,0,0,0|2,0,0]=4 12501 B12R0.206 CCCSCCNC(=O)NCCF 512a_100020603323_100000724931 [0,2,0,0,0,0|2,0,0]=4 12502 B12R0.206 CCCSCCNC(=O)NCCO 2708a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 12503 B12R0.206 CCCSCCNC(=O)NCCO 273464a_100000210304_100020603323 [0,2,0,0,0,0|2,0,0]=4 12504 B12R0.206 CCCSCCNC(=O)NCCO 273464a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 12505 B12R0.206 CCCSCCNC(=O)NCCO 512a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 12506 B12R0.206 CCCSCCNC(=O)NNCC 273464a_100020603323_100000756455 [0,2,0,0,0,0|2,0,0]=4 12507 B12R0.206 CCCSCCNC(=O)NNCC 512a_100000756455_100020603323 [0,2,0,0,0,0|2,0,0]=4 12508 B12R0.206 CCCSCCNC(=O)NNCC 512a_100020603323_100000756455 [0,2,0,0,0,0|2,0,0]=4 12509 B12R0.206 CCNNC(=O)CCCCCOC 22a_100000756455_100011935119 [0,2,0,0,0,0|2,0,0]=4 12510 B12R0.206 CCNNC(=O)NCCCCCO 273464a_100000762737_100000756455 [0,2,0,0,0,0|2,0,0]=4 12511 B12R0.206 CCNNC(=O)NCCCCCO 512a_100000756455_100000762737 [0,2,0,0,0,0|2,0,0]=4 12512 B12R0.206 CCNNC(=O)NCCCCCO 512a_100000762737_100000756455 [0,2,0,0,0,0|2,0,0]=4 12513 B12R0.206 CCNNC(=O)NCCCOCC 273464a_100000210961_100000756455 [0,2,0,0,0,0|2,0,0]=4 12514 B12R0.206 CCNNC(=O)NCCCOCC 512a_100000210961_100000756455 [0,2,0,0,0,0|2,0,0]=4 12515 B12R0.206 CCNNC(=O)NCCCOCC 512a_100000756455_100000210961 [0,2,0,0,0,0|2,0,0]=4 12516 B12R0.206 CCOCC(=O)CCCCCC#N 1458a_100000211967_100009813376 [0,2,0,0,0,0|1,0,1]=4 12517 B12R0.206 CCOCC(=O)CCCCCCF 1458a_100000211967_100015922095 [0,2,0,0,0,0|1,0,0]=3 12518 B12R0.206 CCOCC(=O)CCCCCCO 1458a_100000211967_100000766143 [0,2,0,0,0,0|1,0,0]=3 12519 B12R0.206 CCOCC(=O)CCOCCOC 1458a_100000211967_100000695917 [0,2,0,0,0,0|2,0,0]=4 12520 B12R0.206 CCOCC(=O)NCCCCC#N 11a_100000751965_100000211967 [0,2,0,0,0,0|1,0,1]=4 12521 B12R0.206 CCOCC(=O)NCCCCC#N 1626a_100000751965_100000211967 [0,2,0,0,0,0|1,0,1]=4 12522 B12R0.206 CCOCC(=O)NCCCCC#N 240690a_100000751965_100000211967 [0,2,0,0,0,0|1,0,1]=4 12523 B12R0.206 CCOCC(=O)NCCCCC#N 527a_100000751965_100000211967 [0,2,0,0,0,0|1,0,1]=4 12524 B12R0.206 CCOCC(=O)NCCCCCO 240690a_100000762737_100000211967 [0,2,0,0,0,0|1,0,0]=3 12525 B12R0.206 CCOCC(=O)NCCOCCO 240690a_100000211614_100000211967 [0,2,0,0,0,0|2,0,0]=4 12526 B12R0.206 CCOCC(=O)NCCSCCO 240690a_100011219999_100000211967 [0,2,0,0,0,0|2,0,0]=4 12527 B12R0.206 CCOCC(=O)NCCSCCO 527a_100011219999_100000211967 [0,2,0,0,0,0|2,0,0]=4 12528 B12R0.206 CCOCC(=O)NNCCCOC 22a_100025702787_100000211967 [0,2,0,0,0,0|2,0,0]=4 12529 B12R0.206 CCOCC(C)OCCCCCF 34a_100000718985_100000729378 [0,2,0,0,0,0|1,0,1]=4 12530 B12R0.206 CCOCC(C)OCCCCCF 7a_100000718985_100000729378 [0,2,0,0,0,0|1,0,1]=4 12531 B12R0.206 CCOCC(C)OCCCCCO 34a_100000718985_100000746330 [0,2,0,0,0,0|1,0,1]=4 12532 B12R0.206 CCOCC(C)OCCCCCO 7a_100000718985_100000746330 [0,2,0,0,0,0|1,0,1]=4 12533 B12R0.206 CCOCC(C)OCCCCOC 34a_100000718985_100000755781 [0,2,0,0,0,0|1,0,1]=4 12534 B12R0.206 CCOCC(C)OCCCCOC 7a_100000718985_100000730899 [0,2,0,0,0,0|1,0,1]=4 12535 B12R0.206 CCOCCCNC(=O)CCC#N 11a_100000210961_100011934036 [0,2,0,0,0,0|1,0,1]=4 12536 B12R0.206 CCOCCCNC(=O)CCC#N 1626a_100000210961_100011934036 [0,2,0,0,0,0|1,0,1]=4 12537 B12R0.206 CCOCCCNC(=O)CCC#N 240690a_100000210961_100011934036 [0,2,0,0,0,0|1,0,1]=4 12538 B12R0.206 CCOCCCNC(=O)CCC#N 527a_100000210961_100011934036 [0,2,0,0,0,0|1,0,1]=4 12539 B12R0.206 CCOCCCNC(=O)CCOC 11a_100000210961_100000749529 [0,2,0,0,0,0|1,0,0]=3 12540 B12R0.206 CCOCCCNC(=O)CCOC 1626a_100000210961_100000749529 [0,2,0,0,0,0|1,0,0]=3 12541 B12R0.206 CCOCCCNC(=O)CCOC 240690a_100000210961_100000749529 [0,2,0,0,0,0|1,0,0]=3 12542 B12R0.206 CCOCCCNC(=O)CCOC 527a_100000210961_100000749529 [0,2,0,0,0,0|1,0,0]=3 12543 B12R0.206 CCOCCCNC(=O)CCSC 11a_100000210961_100000174002 [0,2,0,0,0,0|1,0,0]=3 12544 B12R0.206 CCOCCCNC(=O)CCSC 1626a_100000210961_100000174002 [0,2,0,0,0,0|1,0,0]=3 12545 B12R0.206 CCOCCCNC(=O)CCSC 240690a_100000210961_100000174002 [0,2,0,0,0,0|1,0,0]=3 12546 B12R0.206 CCOCCCNC(=O)CCSC 527a_100000210961_100000174002 [0,2,0,0,0,0|1,0,0]=3 12547 B12R0.206 CCOCCCNC(=O)COCC 11a_100000210961_100000211967 [0,2,0,0,0,0|1,0,0]=3 12548 B12R0.206 CCOCCCNC(=O)COCC 1626a_100000210961_100000211967 [0,2,0,0,0,0|1,0,0]=3 12549 B12R0.206 CCOCCCNC(=O)COCC 240690a_100000210961_100000211967 [0,2,0,0,0,0|1,0,0]=3 12550 B12R0.206 CCOCCCNC(=O)COCC 527a_100000210961_100000211967 [0,2,0,0,0,0|1,0,0]=3 12551 B12R0.206 CCOCCCNC(=O)CSCC 11a_100000210961_100000230394 [0,2,0,0,0,0|1,0,0]=3 12552 B12R0.206 CCOCCCNC(=O)CSCC 1626a_100000210961_100000230394 [0,2,0,0,0,0|1,0,0]=3 12553 B12R0.206 CCOCCCNC(=O)CSCC 240690a_100000210961_100000230394 [0,2,0,0,0,0|1,0,0]=3 12554 B12R0.206 CCOCCCNC(=O)CSCC 527a_100000210961_100000230394 [0,2,0,0,0,0|1,0,0]=3 12555 B12R0.206 CCOCCCNC(=O)NCCF 2708a_100000210961_100000724931 [0,2,0,0,0,0|2,0,0]=4 12556 B12R0.206 CCOCCCNC(=O)NCCF 273464a_100000210961_100000724931 [0,2,0,0,0,0|2,0,0]=4 12557 B12R0.206 CCOCCCNC(=O)NCCF 273464a_100000724931_100000210961 [0,2,0,0,0,0|2,0,0]=4 12558 B12R0.206 CCOCCCNC(=O)NCCF 512a_100000210961_100000724931 [0,2,0,0,0,0|2,0,0]=4 12559 B12R0.206 CCOCCCNC(=O)NCCO 2708a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 12560 B12R0.206 CCOCCCNC(=O)NCCO 273464a_100000210304_100000210961 [0,2,0,0,0,0|2,0,0]=4 12561 B12R0.206 CCOCCCNC(=O)NCCO 273464a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 12562 B12R0.206 CCOCCCNC(=O)NCCO 512a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 12563 B12R0.206 CCOCCCOC(C)CCCCl 34a_200000718107_100012232248 [0,2,0,0,0,0|1,0,1]=4 12564 B12R0.206 CCOCCCOC(C)CCCCl 7a_200000718107_100012232248 [0,2,0,0,0,0|1,0,1]=4 12565 B12R0.206 CCOCCCOC(C)COCC 34a_100000718985_100012232248 [0,2,0,0,0,0|1,0,1]=4 12566 B12R0.206 CCOCCCOC(C)COCC 7a_100000718985_100012232248 [0,2,0,0,0,0|1,0,1]=4 12567 B12R0.206 CCOCCNNC(=O)CCOC 22a_100000732670_100000749529 [0,2,0,0,0,0|2,0,0]=4 12568 B12R0.206 CCOCCNNC(=O)CCSC 22a_100000732670_100000174002 [0,2,0,0,0,0|2,0,0]=4 12569 B12R0.206 CCOCCNNC(=O)COCC 22a_100000732670_100000211967 [0,2,0,0,0,0|2,0,0]=4 12570 B12R0.206 CCOCCNNC(=O)CSCC 22a_100000732670_100000230394 [0,2,0,0,0,0|2,0,0]=4 12571 B12R0.206 CCSCC(=O)CCCCCC#N 1458a_100000230394_100009813376 [0,2,0,0,0,0|1,0,1]=4 12572 B12R0.206 CCSCC(=O)CCCCCCF 1458a_100000230394_100015922095 [0,2,0,0,0,0|1,0,0]=3 12573 B12R0.206 CCSCC(=O)CCCCCCO 1458a_100000230394_100000766143 [0,2,0,0,0,0|1,0,0]=3 12574 B12R0.206 CCSCC(=O)CCOCCOC 1458a_100000230394_100000695917 [0,2,0,0,0,0|2,0,0]=4 12575 B12R0.206 CCSCC(=O)NCCCCC#N 11a_100000751965_100000230394 [0,2,0,0,0,0|1,0,1]=4 12576 B12R0.206 CCSCC(=O)NCCCCC#N 1626a_100000751965_100000230394 [0,2,0,0,0,0|1,0,1]=4 12577 B12R0.206 CCSCC(=O)NCCCCC#N 240690a_100000751965_100000230394 [0,2,0,0,0,0|1,0,1]=4 12578 B12R0.206 CCSCC(=O)NCCCCC#N 527a_100000751965_100000230394 [0,2,0,0,0,0|1,0,1]=4 12579 B12R0.206 CCSCC(=O)NCCCCCO 240690a_100000762737_100000230394 [0,2,0,0,0,0|1,0,0]=3 12580 B12R0.206 CCSCC(=O)NCCOCCO 240690a_100000211614_100000230394 [0,2,0,0,0,0|2,0,0]=4 12581 B12R0.206 CCSCC(=O)NCCSCCO 240690a_100011219999_100000230394 [0,2,0,0,0,0|2,0,0]=4 12582 B12R0.206 CCSCC(=O)NCCSCCO 527a_100011219999_100000230394 [0,2,0,0,0,0|2,0,0]=4 12583 B12R0.206 CCSCC(=O)NNCCCOC 22a_100025702787_100000230394 [0,2,0,0,0,0|2,0,0]=4 12584 B12R0.206 COCCC(=O)CCCCCC#N 1458a_100000749529_100009813376 [0,2,0,0,0,0|1,0,1]=4 12585 B12R0.206 COCCC(=O)CCCCCCF 1458a_100000749529_100015922095 [0,2,0,0,0,0|1,0,0]=3 12586 B12R0.206 COCCC(=O)CCCCCCO 1458a_100000749529_100000766143 [0,2,0,0,0,0|1,0,0]=3 12587 B12R0.206 COCCC(=O)CCCCCCO 1458a_100011996774_100000233755 [0,2,0,0,0,0|1,0,0]=3 12588 B12R0.206 COCCC(=O)NCCCCC#N 11a_100000751965_100000749529 [0,2,0,0,0,0|1,0,1]=4 12589 B12R0.206 COCCC(=O)NCCCCC#N 1626a_100000751965_100000749529 [0,2,0,0,0,0|1,0,1]=4 12590 B12R0.206 COCCC(=O)NCCCCC#N 240690a_100000751965_100000749529 [0,2,0,0,0,0|1,0,1]=4 12591 B12R0.206 COCCC(=O)NCCCCC#N 527a_100000751965_100000749529 [0,2,0,0,0,0|1,0,1]=4 12592 B12R0.206 COCCC(=O)NCCCCCO 240690a_100000762737_100000749529 [0,2,0,0,0,0|1,0,0]=3 12593 B12R0.206 COCCC(=O)NCCOCCO 240690a_100000211614_100000749529 [0,2,0,0,0,0|2,0,0]=4 12594 B12R0.206 COCCC(=O)NCCSCCO 240690a_100011219999_100000749529 [0,2,0,0,0,0|2,0,0]=4 12595 B12R0.206 COCCC(=O)NCCSCCO 527a_100011219999_100000749529 [0,2,0,0,0,0|2,0,0]=4 12596 B12R0.206 COCCCCCC(=O)CCC#N 1458a_100011935119_100011215226 [0,2,0,0,0,0|1,0,1]=4 12597 B12R0.206 COCCCCCC(=O)CCCF 1458a_100011935119_100011934791 [0,2,0,0,0,0|1,0,0]=3 12598 B12R0.206 COCCCCCC(=O)CCCO 1458a_100011935119_100011215043 [0,2,0,0,0,0|1,0,0]=3 12599 B12R0.206 COCCCCCC(=O)CCOC 1458a_100011935119_100000233755 [0,2,0,0,0,0|1,0,0]=3 12600 B12R0.206 COCCCCCC(=O)CCSC 1458a_100011935119_100000751147 [0,2,0,0,0,0|1,0,0]=3 12601 B12R0.206 COCCCCCC(=O)NCCF 11a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 12602 B12R0.206 COCCCCCC(=O)NCCF 1626a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 12603 B12R0.206 COCCCCCC(=O)NCCF 240690a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 12604 B12R0.206 COCCCCCC(=O)NCCF 527a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 12605 B12R0.206 COCCCCCC(=O)NCCO 240690a_100000210304_100011935119 [0,2,0,0,0,0|2,0,0]=4 12606 B12R0.206 COCCCCCC(=O)NCCO 527a_100000210304_100011935119 [0,2,0,0,0,0|2,0,0]=4 12607 B12R0.206 COCCCCOC(C)CCCCl 34a_200000718107_100000755781 [0,2,0,0,0,0|1,0,1]=4 12608 B12R0.206 COCCCCOC(C)CCCCl 7a_200000718107_100000730899 [0,2,0,0,0,0|1,0,1]=4 12609 B12R0.206 COCCCNNC(=O)CCOC 22a_100025702787_100000749529 [0,2,0,0,0,0|2,0,0]=4 12610 B12R0.206 COCCCNNC(=O)CCSC 22a_100025702787_100000174002 [0,2,0,0,0,0|2,0,0]=4 12611 B12R0.206 COCCOCCC(=O)CCCF 1458a_100000745395_100011934791 [0,2,0,0,0,0|2,0,0]=4 12612 B12R0.206 COCCOCCC(=O)CCCO 1458a_100000745395_100011215043 [0,2,0,0,0,0|2,0,0]=4 12613 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000745395_100000233755 [0,2,0,0,0,0|2,0,0]=4 12614 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000749529_100000695917 [0,2,0,0,0,0|2,0,0]=4 12615 B12R0.206 COCCOCCC(=O)CCSC 1458a_100000174002_100000695917 [0,2,0,0,0,0|2,0,0]=4 12616 B12R0.206 COCCOCCC(=O)CCSC 1458a_100000745395_100000751147 [0,2,0,0,0,0|2,0,0]=4 12617 B12R0.206 CSCCC(=O)CCCCCC#N 1458a_100000174002_100009813376 [0,2,0,0,0,0|1,0,1]=4 12618 B12R0.206 CSCCC(=O)CCCCCCF 1458a_100000174002_100015922095 [0,2,0,0,0,0|1,0,0]=3 12619 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100000174002_100000766143 [0,2,0,0,0,0|1,0,0]=3 12620 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100011996774_100000751147 [0,2,0,0,0,0|1,0,0]=3 12621 B12R0.206 CSCCC(=O)NCCCCC#N 11a_100000751965_100000174002 [0,2,0,0,0,0|1,0,1]=4 12622 B12R0.206 CSCCC(=O)NCCCCC#N 1626a_100000751965_100000174002 [0,2,0,0,0,0|1,0,1]=4 12623 B12R0.206 CSCCC(=O)NCCCCC#N 240690a_100000751965_100000174002 [0,2,0,0,0,0|1,0,1]=4 12624 B12R0.206 CSCCC(=O)NCCCCC#N 527a_100000751965_100000174002 [0,2,0,0,0,0|1,0,1]=4 12625 B12R0.206 CSCCC(=O)NCCCCCO 240690a_100000762737_100000174002 [0,2,0,0,0,0|1,0,0]=3 12626 B12R0.206 CSCCC(=O)NCCOCCO 240690a_100000211614_100000174002 [0,2,0,0,0,0|2,0,0]=4 12627 B12R0.206 CSCCC(=O)NCCSCCO 240690a_100011219999_100000174002 [0,2,0,0,0,0|2,0,0]=4 12628 B12R0.206 CSCCC(=O)NCCSCCO 527a_100011219999_100000174002 [0,2,0,0,0,0|2,0,0]=4 12629 B12R0.206 N#CCCC(=O)CCCCCCF 1458a_100011934036_100015922095 [0,2,0,0,0,0|1,0,1]=4 12630 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011934036_100000766143 [0,2,0,0,0,0|1,0,1]=4 12631 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011996774_100011215226 [0,2,0,0,0,0|1,0,1]=4 12632 B12R0.206 N#CCCC(=O)NCCCCCO 240690a_100000762737_100011934036 [0,2,0,0,0,0|1,0,1]=4 12633 B12R0.206 O=C(CCCCCCO)NCCF 240690a_100000724931_100011996774 [0,2,0,0,0,0|2,0,0]=4 12634 B12R0.206 O=C(CCCCCCO)NCCO 240690a_100000210304_100011996774 [0,2,0,0,0,0|2,0,0]=4 12635 B12R0.206 O=C(CCCF)CCCCCCO 1458a_100011996774_100011934791 [0,2,0,0,0,0|1,0,0]=3 12636 B12R0.206 O=C(CCCO)CCCCCCO 1458a_100011996774_100011215043 [0,2,0,0,0,0|1,0,0]=3 12637 B12R0.206 O=C(NCCF)NCCCCCO 273464a_100000724931_100000762737 [0,2,0,0,0,0|2,0,0]=4 12638 B12R0.206 O=C(NCCF)NCCCCCO 273464a_100000762737_100000724931 [0,2,0,0,0,0|2,0,0]=4 12639 B12R0.206 O=C(NCCF)NCCCCCO 512a_100000762737_100000724931 [0,2,0,0,0,0|2,0,0]=4 12640 B12R0.206 O=C(NCCO)NCCCCCO 273464a_100000210304_100000762737 [0,2,0,0,0,0|2,0,0]=4 12641 B12R0.206 O=C(NCCO)NCCCCCO 273464a_100000762737_100000210304 [0,2,0,0,0,0|2,0,0]=4 12642 B12R0.206 O=C(NCCO)NCCCCCO 512a_100000762737_100000210304 [0,2,0,0,0,0|2,0,0]=4 12643 B12R0.239 C=C(CCC)CC(=O)CCCCC 1458a_100000138376_100000210326 [0,2,0,0,0,0|2,0,0]=4 12644 B12R0.239 CCCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747444 [0,2,0,0,0,0|1,0,1]=4 12645 B12R0.239 CCCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747444 [0,2,0,0,0,0|1,0,1]=4 12646 B12R0.239 CCCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747444 [0,2,0,0,0,0|1,0,1]=4 12647 B12R0.239 CCCC(=O)CC(=O)CCOCC 1458a_100000749530_100000747444 [0,2,0,0,0,0|1,0,1]=4 12648 B12R0.239 CCCC(=O)CC(=O)CCSCC 1458a_100000230768_100000747444 [0,2,0,0,0,0|1,0,1]=4 12649 B12R0.239 CCCC(=O)CN(C)CCCCO 2230a_100000717598_100000747444 [0,2,0,0,0,0|2,0,0]=4 12650 B12R0.239 CCCC(=O)CN(C)CCCCO 269982a_100000717598_100000747444 [0,2,0,0,0,0|2,0,0]=4 12651 B12R0.239 CCCC(=O)CN(C)CCCOC 2230a_100000224831_100000747444 [0,2,0,0,0,0|2,0,0]=4 12652 B12R0.239 CCCC(=O)CN(C)CCCOC 269982a_100000224831_100000747444 [0,2,0,0,0,0|2,0,0]=4 12653 B12R0.239 CCCC(C)OC(C)CCCOC 34a_200011539412_100000766640 [0,2,0,0,0,0|1,0,1]=4 12654 B12R0.239 CCCC(C)OC(C)CCCOC 7a_200011539412_100000766640 [0,2,0,0,0,0|1,0,1]=4 12655 B12R0.239 CCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210326 [0,2,0,0,0,0|2,0,0]=4 12656 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,2,0,0,0,0|1,0,0]=3 12657 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,2,0,0,0,0|1,0,0]=3 12658 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,2,0,0,0,0|2,0,0]=4 12659 B12R0.239 CCCCCC(=O)CC(=O)COC 1458a_100000210968_200012276598 [0,2,0,0,0,0|2,0,0]=4 12660 B12R0.239 CCCCCC(=O)CC(=O)CSC 1458a_100000184570_200012276598 [0,2,0,0,0,0|2,0,0]=4 12661 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [0,2,0,0,0,0|2,0,0]=4 12662 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [0,2,0,0,0,0|2,0,0]=4 12663 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [0,2,0,0,0,0|2,0,0]=4 12664 B12R0.239 CCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210326 [0,2,0,0,0,0|2,0,0]=4 12665 B12R0.239 CCCCCC(C)NC(=O)CCC 11a_100000211957_100000211992 [0,2,0,0,0,0|1,0,0]=3 12666 B12R0.239 CCCCCC(C)NC(=O)CCC 1626a_100000211957_100000211992 [0,2,0,0,0,0|1,0,0]=3 12667 B12R0.239 CCCCCC(C)NC(=O)CCC 240690a_100000211957_100000211992 [0,2,0,0,0,0|1,0,0]=3 12668 B12R0.239 CCCCCC(C)NC(=O)CCC 527a_100000211957_100000211992 [0,2,0,0,0,0|1,0,0]=3 12669 B12R0.239 CCCCCC(C)NC(=O)CCO 240690a_100000211957_100011216618 [0,2,0,0,0,0|2,0,0]=4 12670 B12R0.239 CCCCCC(C)NC(=O)CNC 2230a_106832991635_100000230335 [0,2,0,0,0,0|2,0,0]=4 12671 B12R0.239 CCCCCC(C)NC(=O)CNC 34a_100102657272_100000230335 [0,2,0,0,0,0|2,0,0]=4 12672 B12R0.239 CCCCCC(C)NC(=O)CNC 7a_106832991635_100000230335 [0,2,0,0,0,0|2,0,0]=4 12673 B12R0.239 CCCCCC(C)NC(=O)COC 11a_100000211957_100000210968 [0,2,0,0,0,0|2,0,0]=4 12674 B12R0.239 CCCCCC(C)NC(=O)COC 1626a_100000211957_100000210968 [0,2,0,0,0,0|2,0,0]=4 12675 B12R0.239 CCCCCC(C)NC(=O)COC 240690a_100000211957_100000210968 [0,2,0,0,0,0|2,0,0]=4 12676 B12R0.239 CCCCCC(C)NC(=O)COC 34a_100138415774_100000230335 [0,2,0,0,0,0|2,0,0]=4 12677 B12R0.239 CCCCCC(C)NC(=O)COC 527a_100000211957_100000210968 [0,2,0,0,0,0|2,0,0]=4 12678 B12R0.239 CCCCCC(C)NC(=O)CSC 11a_100000211957_100000184570 [0,2,0,0,0,0|2,0,0]=4 12679 B12R0.239 CCCCCC(C)NC(=O)CSC 1626a_100000211957_100000184570 [0,2,0,0,0,0|2,0,0]=4 12680 B12R0.239 CCCCCC(C)NC(=O)CSC 240690a_100000211957_100000184570 [0,2,0,0,0,0|2,0,0]=4 12681 B12R0.239 CCCCCC(C)NC(=O)CSC 527a_100000211957_100000184570 [0,2,0,0,0,0|2,0,0]=4 12682 B12R0.239 CCCCCC(C)NC(=O)CSC 62a_100000230335_200000210301 [0,2,0,0,0,0|2,0,0]=4 12683 B12R0.239 CCCCCC(C)NC(=O)CSC 62a_200000210301_100000230335 [0,2,0,0,0,0|2,0,0]=4 12684 B12R0.239 CCCCCC(C)NC(=O)CS[13CH3] 62a_100000230335_200025704644 [0,2,0,0,0,0|2,0,0]=4 12685 B12R0.239 CCCCCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000230335 [0,2,0,0,0,0|2,0,0]=4 12686 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100000211957_100015525214 [0,2,0,0,0,0|2,0,0]=4 12687 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100015525214_100000211957 [0,2,0,0,0,0|2,0,0]=4 12688 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100000211957_100015525214 [0,2,0,0,0,0|2,0,0]=4 12689 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100015525214_100000211957 [0,2,0,0,0,0|2,0,0]=4 12690 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100000211957_100015525214 [0,2,0,0,0,0|2,0,0]=4 12691 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100015525214_100000211957 [0,2,0,0,0,0|2,0,0]=4 12692 B12R0.239 CCCCCC(C)OC(=O)CNC 2230a_106832991635_200000092394 [0,2,0,0,0,0|1,0,0]=3 12693 B12R0.239 CCCCCC(C)OC(=O)CNC 34a_100102657272_200000092394 [0,2,0,0,0,0|1,0,0]=3 12694 B12R0.239 CCCCCC(C)OC(=O)CNC 7a_106832991635_200000092394 [0,2,0,0,0,0|1,0,0]=3 12695 B12R0.239 CCCCCC(C)OC(=O)COC 34a_100138415774_200000092394 [0,2,0,0,0,0|1,0,0]=3 12696 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000092394_200000210301 [0,2,0,0,0,0|1,0,0]=3 12697 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000210301_200000092394 [0,2,0,0,0,0|1,0,0]=3 12698 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200000092394_200025704644 [0,2,0,0,0,0|1,0,0]=3 12699 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200025704644_200000092394 [0,2,0,0,0,0|1,0,0]=3 12700 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100000764384_200011218191 [0,2,0,0,0,0|1,0,1]=4 12701 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100011215632_100000766640 [0,2,0,0,0,0|1,0,1]=4 12702 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100000764384_200011218191 [0,2,0,0,0,0|1,0,1]=4 12703 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100011215632_100000766640 [0,2,0,0,0,0|1,0,1]=4 12704 B12R0.239 CCCCCN(C)CC(=O)CCC 2230a_100000223495_100000747444 [0,2,0,0,0,0|1,0,0]=3 12705 B12R0.239 CCCCCN(C)CC(=O)CCC 269982a_100000223495_100000747444 [0,2,0,0,0,0|1,0,0]=3 12706 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000223495_100000183381 [0,2,0,0,0,0|2,0,0]=4 12707 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210326 [0,2,0,0,0,0|2,0,0]=4 12708 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000223495_100000183381 [0,2,0,0,0,0|2,0,0]=4 12709 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210215 [0,2,0,0,0,0|2,0,0]=4 12710 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210326 [0,2,0,0,0,0|2,0,0]=4 12711 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000223495_100000188475 [0,2,0,0,0,0|2,0,0]=4 12712 B12R0.239 CCCCCN(C)CC(=O)OCC 269982a_100000223495_100000188475 [0,2,0,0,0,0|2,0,0]=4 12713 B12R0.239 CCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000182744 [0,2,0,0,0,0|1,0,1]=4 12714 B12R0.239 CCCCNC(C)CC(=O)OCC 2230a_100000102301_100009817359 [0,2,0,0,0,0|2,0,0]=4 12715 B12R0.239 CCCCNC(C)CC(=O)OCC 7a_106832991798_100009817359 [0,2,0,0,0,0|2,0,0]=4 12716 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [0,2,0,0,0,0|1,0,1]=4 12717 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [0,2,0,0,0,0|2,0,0]=4 12718 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [0,2,0,0,0,0|2,0,0]=4 12719 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100000210211_100009817359 [0,2,0,0,0,0|2,0,0]=4 12720 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100009817359_100000210210 [0,2,0,0,0,0|2,0,0]=4 12721 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000036008_100000210210 [0,2,0,0,0,0|1,0,0]=3 12722 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000210211_100000036008 [0,2,0,0,0,0|1,0,0]=3 12723 B12R0.239 CCCOCC(=O)CC(=O)CCC 1458a_100000745993_100000747444 [0,2,0,0,0,0|1,0,1]=4 12724 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [0,2,0,0,0,0|2,0,0]=4 12725 B12R0.239 CCCSCC(=O)CC(=O)CCC 1458a_100000217233_100000747444 [0,2,0,0,0,0|1,0,1]=4 12726 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000210303_100000688340 [0,2,0,0,0,0|2,0,0]=4 12727 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210303 [0,2,0,0,0,0|2,0,0]=4 12728 B12R0.239 CCOC(=O)OC(C)SCCCF 62a_100000036008_100011934791 [0,2,0,0,0,0|2,0,0]=4 12729 B12R0.239 CCOC(=O)OC(C)SCCCF 62a_100011934791_100000036008 [0,2,0,0,0,0|2,0,0]=4 12730 B12R0.239 CCOC(=O)OC(C)SCCCO 62a_100000036008_100011215043 [0,2,0,0,0,0|2,0,0]=4 12731 B12R0.239 CCOC(=O)OC(C)SCCCO 62a_100011215043_100000036008 [0,2,0,0,0,0|2,0,0]=4 12732 B12R0.239 CCOC(=O)OC(C)SCCOC 62a_100000036008_100000233755 [0,2,0,0,0,0|2,0,0]=4 12733 B12R0.239 CCOC(=O)OC(C)SCCOC 62a_100000233755_100000036008 [0,2,0,0,0,0|2,0,0]=4 12734 B12R0.239 CCOC(=O)OC(C)SCCSC 62a_100000036008_100000751147 [0,2,0,0,0,0|2,0,0]=4 12735 B12R0.239 CCOC(=O)OC(C)SCCSC 62a_100000212216_100000036008 [0,2,0,0,0,0|2,0,0]=4 12736 B12R0.239 CCOCSC(C)OC(=O)OCC 62a_100000036008_100000739092 [0,2,0,0,0,0|2,0,0]=4 12737 B12R0.239 CCOCSC(C)OC(=O)OCC 62a_100000739092_100000036008 [0,2,0,0,0,0|2,0,0]=4 12738 B12R0.276 C=CC(C)COCOC(=O)CCC 34a_100011215527_100000034017 [0,2,0,0,0,0|1,0,0]=3 12739 B12R0.276 C=CC(O)CSCOC(=O)CCC 62a_100000730141_100000034017 [0,2,0,0,0,0|0,0,2]=4 12740 B12R0.276 C=C[C@H](N)COCOC(=O)CCC 34a_100016989147_100000034017 [0,2,0,0,0,0|0,0,2]=4 12741 B12R0.276 CCC(C)CCOCC(=O)NCO 7a_100011215188_100000185155 [0,2,0,0,0,0|2,0,0]=4 12742 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,2,0,0,0,0|1,0,1]=4 12743 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,2,0,0,0,0|1,0,1]=4 12744 B12R0.276 CCCC(=O)CNCCC(C)CC 2230a_100020591266_100000747444 [0,2,0,0,0,0|1,0,0]=3 12745 B12R0.276 CCCC(=O)CNCCC(C)CO 2230a_106354213184_100000747444 [0,2,0,0,0,0|2,0,0]=4 12746 B12R0.276 CCCC(=O)COCCC(C)CC 7a_100011215188_100000747444 [0,2,0,0,0,0|0,0,0]=2 12747 B12R0.276 CCCC(=O)COCCC(C)OC 7a_100000764861_100000747444 [0,2,0,0,0,0|1,0,0]=3 12748 B12R0.276 CCCC(=O)NCCCC(=O)NC 11a_100000740002_100000211992 [0,2,0,0,0,0|1,0,1]=4 12749 B12R0.276 CCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000211992 [0,2,0,0,0,0|1,0,1]=4 12750 B12R0.276 CCCC(=O)NCCCC(=O)NC 527a_100000740002_100000211992 [0,2,0,0,0,0|1,0,1]=4 12751 B12R0.276 CCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000211992 [0,2,0,0,0,0|1,0,1]=4 12752 B12R0.276 CCCC(=O)NCCNC(=O)CC 11a_100132302217_100000211992 [0,2,0,0,0,0|1,0,1]=4 12753 B12R0.276 CCCC(=O)NCCNC(=O)CC 1626a_100132302217_100000211992 [0,2,0,0,0,0|1,0,1]=4 12754 B12R0.276 CCCC(=O)NCCNC(=O)CC 240690a_100132302217_100000211992 [0,2,0,0,0,0|1,0,1]=4 12755 B12R0.276 CCCC(=O)NCCNC(=O)CC 527a_100132302217_100000211992 [0,2,0,0,0,0|1,0,1]=4 12756 B12R0.276 CCCC(=O)OCNCC(=O)NC 2230a_100000693194_100000034017 [0,2,0,0,0,0|1,0,1]=4 12757 B12R0.276 CCCC(=O)OCNCC(C)CC 2230a_100020588543_100000034017 [0,2,0,0,0,0|0,0,0]=2 12758 B12R0.276 CCCC(=O)OCNCC(C)CO 34a_100000744482_100000034017 [0,2,0,0,0,0|1,0,0]=3 12759 B12R0.276 CCCC(=O)OCNCC(O)CC 2230a_100011218483_100000034017 [0,2,0,0,0,0|0,0,0]=2 12760 B12R0.276 CCCC(=O)OCNC[C@@H](C)OC 2230a_100020591295_100000034017 [0,2,0,0,0,0|1,0,0]=3 12761 B12R0.276 CCCC(=O)OCNC[C@@H](F)CO 34a_100015665980_100000034017 [0,2,0,0,0,0|1,0,0]=3 12762 B12R0.276 CCCC(=O)OCNC[C@H](O)CO 2230a_100020644852_100000034017 [0,2,0,0,0,0|1,0,0]=3 12763 B12R0.276 CCCC(=O)OCOCC(=O)CC 34a_100000725409_100000034017 [0,2,0,0,0,0|0,0,1]=3 12764 B12R0.276 CCCC(=O)OCOCC(=O)NC 34a_100000750040_100000034017 [0,2,0,0,0,0|1,0,1]=4 12765 B12R0.276 CCCC(=O)OCOCC(C)CN 34a_100000744482_100000034017 [0,2,0,0,0,0|1,0,0]=3 12766 B12R0.276 CCCC(=O)OCOCC(C)OC 34a_100000690652_100000034017 [0,2,0,0,0,0|1,0,0]=3 12767 B12R0.276 CCCC(=O)OCOCC(Cl)CCl 34a_100000033668_100000034017 [0,2,0,0,0,0|1,0,0]=3 12768 B12R0.276 CCCC(=O)OCOC[C@H](F)CN 34a_100015665980_100000034017 [0,2,0,0,0,0|1,0,0]=3 12769 B12R0.276 CCCC(=O)OCSCC(=O)CC 62a_100000747405_100000034017 [0,2,0,0,0,0|0,0,1]=3 12770 B12R0.276 CCCC(=O)OCSCC(=O)NC 62a_100000183359_100000034017 [0,2,0,0,0,0|1,0,1]=4 12771 B12R0.276 CCCC(=O)OCSCC(=O)OC 62a_100000747449_100000034017 [0,2,0,0,0,0|1,0,1]=4 12772 B12R0.276 CCCC(=O)OCSCC(C)CC 62a_100000748023_100000034017 [0,2,0,0,0,0|0,0,0]=2 12773 B12R0.276 CCCC(=O)OCSCC(O)CC 62a_100011218378_100000034017 [0,2,0,0,0,0|0,0,0]=2 12774 B12R0.276 CCCC(=O)OCSCC(O)CO 62a_100011219619_100000034017 [0,2,0,0,0,0|1,0,0]=3 12775 B12R0.276 CCCC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000034017 [0,2,0,0,0,0|0,0,0]=2 12776 B12R0.276 CCCC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000034017 [0,2,0,0,0,0|1,0,0]=3 12777 B12R0.276 CCCC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000034017 [0,2,0,0,0,0|1,0,0]=3 12778 B12R0.276 CCCC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000034017 [0,2,0,0,0,0|1,0,0]=3 12779 B12R0.276 CCCC(C)COCCC(C)CC 7a_100011215188_100011216630 [0,2,0,0,0,0|1,0,1]=4 12780 B12R0.276 CCCC(C)OCCCC(C)CC 7a_100011216074_100000766640 [0,2,0,0,0,0|1,0,1]=4 12781 B12R0.276 CCCC(C)OCCCN(C)CC 7a_100000764384_100015186262 [0,2,0,0,0,0|1,0,1]=4 12782 B12R0.276 CCCC(C)OCCC[C@@H](C)CN 34a_100160569302_100000766640 [0,2,0,0,0,0|1,0,1]=4 12783 B12R0.276 CCNC(=O)CCNCC(C)CC 2230a_100020588543_100000737597 [0,2,0,0,0,0|2,0,0]=4 12784 B12R0.276 CCNC(=O)CCNCC(C)CC 270004a_100025743525_100000243153 [0,2,0,0,0,0|2,0,0]=4 12785 B12R0.276 CCNC(=O)CCNCC(C)CC 34a_100025743525_100000748023 [0,2,0,0,0,0|2,0,0]=4 12786 B12R0.276 CCNC(=O)CCNCC(O)CC 2230a_100011218483_100000737597 [0,2,0,0,0,0|2,0,0]=4 12787 B12R0.276 CCNC(=O)CCNCC(O)CC 34a_100025743525_100011218378 [0,2,0,0,0,0|2,0,0]=4 12788 B12R0.276 CCNC(=O)CCNC[C@@H](C)CC 34a_100025743525_100009816398 [0,2,0,0,0,0|2,0,0]=4 12789 B12R0.276 CCNC(=O)CCOC[C@@H](C)CC 7a_100009816381_100000737597 [0,2,0,0,0,0|2,0,0]=4 12790 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000737597_100000748023 [0,2,0,0,0,0|2,0,0]=4 12791 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000748023_100000737597 [0,2,0,0,0,0|2,0,0]=4 12792 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100000737597_100011218378 [0,2,0,0,0,0|2,0,0]=4 12793 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100011218378_100000737597 [0,2,0,0,0,0|2,0,0]=4 12794 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100000737597_100009816398 [0,2,0,0,0,0|2,0,0]=4 12795 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000737597 [0,2,0,0,0,0|2,0,0]=4 12796 B12R0.276 CCNC(=O)CNCCC(C)CC 2230a_100020591266_100000183381 [0,2,0,0,0,0|2,0,0]=4 12797 B12R0.276 CCNC(=O)COCCC(C)CC 7a_100011215188_100000183381 [0,2,0,0,0,0|1,0,0]=3 12798 B12R0.276 CCNC(=O)COCCC(C)OC 7a_100000764861_100000183381 [0,2,0,0,0,0|2,0,0]=4 12799 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [0,2,0,0,0,0|2,0,0]=4 12800 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [0,2,0,0,0,0|2,0,0]=4 12801 B12R0.276 CCOC(=O)CCCCN(C)CC 2230a_100000225621_100000750268 [0,2,0,0,0,0|2,0,0]=4 12802 B12R0.276 CCOC(=O)CCCCN(C)CC 269982a_100000225621_100000750268 [0,2,0,0,0,0|2,0,0]=4 12803 B12R0.276 CCOC(=O)CCCNC(C)CC 2230a_100000209981_100009991533 [0,2,0,0,0,0|2,0,0]=4 12804 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100000210228_100011215271 [0,2,0,0,0,0|2,0,0]=4 12805 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100012001163_100000758301 [0,2,0,0,0,0|2,0,0]=4 12806 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100000758301_100009991533 [0,2,0,0,0,0|2,0,0]=4 12807 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100009991533_100000758301 [0,2,0,0,0,0|2,0,0]=4 12808 B12R0.276 CCOC(=O)CCNCC(C)CC 2230a_100020588543_100011206558 [0,2,0,0,0,0|2,0,0]=4 12809 B12R0.276 CCOC(=O)CCNCC(O)CC 2230a_100011218483_100011206558 [0,2,0,0,0,0|2,0,0]=4 12810 B12R0.276 CCOC(=O)CCOC[C@@H](C)CC 7a_100009816381_100011206558 [0,2,0,0,0,0|2,0,0]=4 12811 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000748023_100000765890 [0,2,0,0,0,0|2,0,0]=4 12812 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000765890_100000748023 [0,2,0,0,0,0|2,0,0]=4 12813 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100000765890_100011218378 [0,2,0,0,0,0|2,0,0]=4 12814 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100011218378_100000765890 [0,2,0,0,0,0|2,0,0]=4 12815 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100000765890_100009816398 [0,2,0,0,0,0|2,0,0]=4 12816 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000765890 [0,2,0,0,0,0|2,0,0]=4 12817 B12R0.276 CCOC(=O)CNCCC(C)CC 2230a_100020591266_100000188475 [0,2,0,0,0,0|2,0,0]=4 12818 B12R0.276 CCOC(=O)COCCC(=O)CC 1458a_100000210414_100000088970 [0,2,0,0,0,0|1,0,1]=4 12819 B12R0.276 CCOC(=O)COCCC(C)CC 7a_100011215188_100000188475 [0,2,0,0,0,0|1,0,0]=3 12820 B12R0.276 CCOC(=O)COCCC(C)OC 7a_100000764861_100000188475 [0,2,0,0,0,0|2,0,0]=4 12821 B12R0.276 CCOC(=O)COCCN(C)CC 2230a_100000225621_100000088970 [0,2,0,0,0,0|2,0,0]=4 12822 B12R0.276 CCOC(=O)COCCN(C)CC 269982a_100000225621_100000088970 [0,2,0,0,0,0|2,0,0]=4 12823 B12R0.276 CCOC(=O)NCCOC(C)CC 34a_100000158857_100011215416 [0,2,0,0,0,0|2,0,0]=4 12824 B12R0.276 CCOC(=O)NCCOC(C)CC 7a_100000210228_200011445536 [0,2,0,0,0,0|2,0,0]=4 12825 B12R0.276 CCOC(=O)NCCSC(C)CC 62a_100000758301_200011445536 [0,2,0,0,0,0|2,0,0]=4 12826 B12R0.276 CCOC(=O)OCSCC(=O)CC 62a_100000747405_100000075025 [0,2,0,0,0,0|1,0,1]=4 12827 B12R0.276 CCOC(=O)OCSCC(C)CC 62a_100000748023_100000075025 [0,2,0,0,0,0|1,0,0]=3 12828 B12R0.276 CCOC(=O)OCSCC(O)CC 62a_100011218378_100000075025 [0,2,0,0,0,0|1,0,0]=3 12829 B12R0.276 CCOC(=O)OCSCC(O)CO 62a_100011219619_100000075025 [0,2,0,0,0,0|2,0,0]=4 12830 B12R0.276 CCOC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000075025 [0,2,0,0,0,0|1,0,0]=3 12831 B12R0.276 CCOC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000075025 [0,2,0,0,0,0|2,0,0]=4 12832 B12R0.276 CCOC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000075025 [0,2,0,0,0,0|2,0,0]=4 12833 B12R0.276 CCOC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000075025 [0,2,0,0,0,0|2,0,0]=4 12834 B12R0.277 C=C(Br)CCOCOC(=O)CCC 34a_100009813270_100000034017 [0,2,0,0,0,0|0,0,2]=4 12835 B12R0.277 C=C(C)CCOCOC(=O)CCC 34a_100000764851_100000034017 [0,2,0,0,0,0|0,0,1]=3 12836 B12R0.277 C=C(C)CCSCOC(=O)CCC 62a_100000730704_100000034017 [0,2,0,0,0,0|0,0,1]=3 12837 B12R0.277 C=C(C)CCSCOC(=O)OCC 62a_100000730704_100000075025 [0,2,0,0,0,0|1,0,1]=4 12838 B12R0.277 CC(C)CCCCCC(=O)CCF 1458a_100000766313_100011217306 [0,2,0,0,0,0|2,0,0]=4 12839 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100000766313_100000211926 [0,2,0,0,0,0|2,0,0]=4 12840 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100011216618_100000210682 [0,2,0,0,0,0|2,0,0]=4 12841 B12R0.277 CC(C)CCCOCC(=O)NCO 34a_100000210774_100000185155 [0,2,0,0,0,0|2,0,0]=4 12842 B12R0.277 CC(C)CCCOCC(=O)NCO 7a_100000210774_100000185155 [0,2,0,0,0,0|2,0,0]=4 12843 B12R0.277 CC(C)OCCCNC(=O)CCO 240690a_100000737246_100011216618 [0,2,0,0,0,0|2,0,0]=4 12844 B12R0.277 CC(C)OCCCNC(=O)CS[13CH3] 62a_100000230355_200025704644 [0,2,0,0,0,0|2,0,0]=4 12845 B12R0.277 CC(C)OCCCNC(=O)CS[13CH3] 62a_200025704644_100000230355 [0,2,0,0,0,0|2,0,0]=4 12846 B12R0.277 CCCC(=O)CCCCCB(O)O 1458a_100000211992_200009817188 [0,2,0,0,0,0|2,0,0]=4 12847 B12R0.277 CCCC(=O)CCCCCC(=O)N 1458a_100000211992_100009817443 [0,2,0,0,0,0|1,0,1]=4 12848 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,2,0,0,0,0|1,0,0]=3 12849 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,2,0,0,0,0|1,0,0]=3 12850 B12R0.277 CCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210303 [0,2,0,0,0,0|2,0,0]=4 12851 B12R0.277 CCCC(=O)CCCCOC(=O)C 1458a_100000211992_100000033659 [0,2,0,0,0,0|1,0,1]=4 12852 B12R0.277 CCCC(=O)CCCCSC(=O)C 1458a_100000211992_200010402107 [0,2,0,0,0,0|1,0,1]=4 12853 B12R0.277 CCCC(=O)CNCCCC(C)C 2230a_200000737386_100000747444 [0,2,0,0,0,0|1,0,0]=3 12854 B12R0.277 CCCC(=O)CNCCCS(=O)C 2230a_200000753449_100000747444 [0,2,0,0,0,0|2,0,0]=4 12855 B12R0.277 CCCC(=O)CNCCOC(C)C 2230a_100000701111_100000747444 [0,2,0,0,0,0|2,0,0]=4 12856 B12R0.277 CCCC(=O)CNCCSC(C)C 2230a_100000731138_100000747444 [0,2,0,0,0,0|2,0,0]=4 12857 B12R0.277 CCCC(=O)COCCCC(=O)C 7a_100000759063_100000747444 [0,2,0,0,0,0|0,0,1]=3 12858 B12R0.277 CCCC(=O)COCCCC(C)C 7a_100000210774_100000747444 [0,2,0,0,0,0|0,0,0]=2 12859 B12R0.277 CCCC(=O)COCCOC(C)C 7a_100000211219_100000747444 [0,2,0,0,0,0|1,0,0]=3 12860 B12R0.277 CCCC(=O)COCCSC(C)C 7a_200011212901_100000747444 [0,2,0,0,0,0|1,0,0]=3 12861 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100000747444_100011215641 [0,2,0,0,0,0|0,1,1]=4 12862 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100011215641_100000747444 [0,2,0,0,0,0|0,1,1]=4 12863 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100000747444_100011214892 [0,2,0,0,0,0|0,1,0]=3 12864 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100011214892_100000747444 [0,2,0,0,0,0|0,1,0]=3 12865 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_100000747444_200000718107 [0,2,0,0,0,0|0,1,0]=3 12866 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_200000718107_100000747444 [0,2,0,0,0,0|0,1,0]=3 12867 B12R0.277 CCCC(=O)CSCCCN(C)C 62a_100000747444_100000757444 [0,2,0,0,0,0|1,1,0]=4 12868 B12R0.277 CCCC(=O)CSCCOC(C)C 62a_100000211751_100000747444 [0,2,0,0,0,0|1,1,0]=4 12869 B12R0.277 CCCC(=O)CSCCOC(C)C 62a_100000747444_100000211751 [0,2,0,0,0,0|1,1,0]=4 12870 B12R0.277 CCCC(=O)CSCCSC(C)C 62a_100000730970_100000747444 [0,2,0,0,0,0|1,1,0]=4 12871 B12R0.277 CCCC(=O)CSCCSC(C)C 62a_100000747444_100000730970 [0,2,0,0,0,0|1,1,0]=4 12872 B12R0.277 CCCC(=O)NCCCCC(=O)N 11a_100000696515_100000211992 [0,2,0,0,0,0|1,0,1]=4 12873 B12R0.277 CCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000211992 [0,2,0,0,0,0|1,0,1]=4 12874 B12R0.277 CCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000211992 [0,2,0,0,0,0|1,0,1]=4 12875 B12R0.277 CCCC(=O)NCCCCC(=O)N 527a_100000696515_100000211992 [0,2,0,0,0,0|1,0,1]=4 12876 B12R0.277 CCCC(=O)NCCCCN(C)C 240690a_100025707445_100000211992 [0,2,0,0,0,0|1,0,0]=3 12877 B12R0.277 CCCC(=O)NCCCNC(=O)C 11a_100000736810_100000211992 [0,2,0,0,0,0|1,0,1]=4 12878 B12R0.277 CCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000211992 [0,2,0,0,0,0|1,0,1]=4 12879 B12R0.277 CCCC(=O)NCCCNC(=O)C 527a_100000736810_100000211992 [0,2,0,0,0,0|1,0,1]=4 12880 B12R0.277 CCCC(=O)NCCCOC(C)C 11a_100000737246_100000211992 [0,2,0,0,0,0|1,0,0]=3 12881 B12R0.277 CCCC(=O)NCCCOC(C)C 1626a_100000737246_100000211992 [0,2,0,0,0,0|1,0,0]=3 12882 B12R0.277 CCCC(=O)NCCCOC(C)C 240690a_100000737246_100000211992 [0,2,0,0,0,0|1,0,0]=3 12883 B12R0.277 CCCC(=O)NCCCOC(C)C 527a_100000737246_100000211992 [0,2,0,0,0,0|1,0,0]=3 12884 B12R0.277 CCCC(=O)OCNCC=C(C)C 34a_100000718196_100000034017 [0,2,0,0,0,0|0,0,2]=4 12885 B12R0.277 CCCC(=O)OCNCCC(C)O 2230a_200000755665_100000034017 [0,2,0,0,0,0|0,0,0]=2 12886 B12R0.277 CCCC(=O)OCOCC=C(C)C 34a_100000753907_100000034017 [0,2,0,0,0,0|0,0,2]=4 12887 B12R0.277 CCCC(=O)OCOCCC(=O)C 34a_100000759926_100000034017 [0,2,0,0,0,0|0,0,1]=3 12888 B12R0.277 CCCC(=O)OCOCCC(=O)N 34a_100000757172_100000034017 [0,2,0,0,0,0|1,0,1]=4 12889 B12R0.277 CCCC(=O)OCOCCC(C)Br 34a_100009893172_100000034017 [0,2,0,0,0,0|0,0,0]=2 12890 B12R0.277 CCCC(=O)OCOCCC(C)C 34a_100000210254_100000034017 [0,2,0,0,0,0|0,0,0]=2 12891 B12R0.277 CCCC(=O)OCOCCC(F)F 34a_100103093639_100000034017 [0,2,0,0,0,0|1,0,0]=3 12892 B12R0.277 CCCC(=O)OCOCC[C@@H](C)N 34a_100000706166_100000034017 [0,2,0,0,0,0|0,0,0]=2 12893 B12R0.277 CCCC(=O)OCSCC=C(C)C 62a_100000761012_100000034017 [0,2,0,0,0,0|0,0,2]=4 12894 B12R0.277 CCCC(=O)OCSCCC(=O)C 62a_100000053229_100000034017 [0,2,0,0,0,0|0,0,1]=3 12895 B12R0.277 CCCC(=O)OCSCCC(=O)N 62a_100000744528_100000034017 [0,2,0,0,0,0|1,0,1]=4 12896 B12R0.277 CCCC(=O)OCSCCC(C)C 62a_100000210312_100000034017 [0,2,0,0,0,0|0,0,0]=2 12897 B12R0.277 CCCC(=O)OCSCCC(C)O 62a_100012276601_100000034017 [0,2,0,0,0,0|0,0,0]=2 12898 B12R0.277 CCCC(=O)OCSCOC(=O)C 62a_100000076356_100000034017 [0,2,0,0,0,0|1,0,1]=4 12899 B12R0.277 CCCC(=O)OCSCOC(C)C 62a_100000709892_100000034017 [0,2,0,0,0,0|1,0,0]=3 12900 B12R0.277 CCCC(C)COCCCC(C)C 34a_100000210774_100011216630 [0,2,0,0,0,0|1,0,1]=4 12901 B12R0.277 CCCC(C)COCCCC(C)C 34a_100000688023_100011214892 [0,2,0,0,0,0|1,0,1]=4 12902 B12R0.277 CCCC(C)COCCCC(C)C 7a_100000210774_100011216630 [0,2,0,0,0,0|1,0,1]=4 12903 B12R0.277 CCCC(C)COCCCC(C)C 7a_100000688023_100011214892 [0,2,0,0,0,0|1,0,1]=4 12904 B12R0.277 CCCC(C)COCCCC(C)O 34a_100000688023_200000718107 [0,2,0,0,0,0|1,0,1]=4 12905 B12R0.277 CCCC(C)COCCCC(C)O 7a_100000688023_200000718107 [0,2,0,0,0,0|1,0,1]=4 12906 B12R0.277 CCCC(C)OCCCCC(=O)C 34a_100000764384_100009817362 [0,2,0,0,0,0|1,0,1]=4 12907 B12R0.277 CCCC(C)OCCCCC(=O)C 7a_100000764384_100000735457 [0,2,0,0,0,0|1,0,1]=4 12908 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100000764384_100011216152 [0,2,0,0,0,0|1,0,1]=4 12909 B12R0.277 CCCC(C)OCCCCC(C)C 34a_100011214890_100000766640 [0,2,0,0,0,0|1,0,1]=4 12910 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100000764384_100011216152 [0,2,0,0,0,0|1,0,1]=4 12911 B12R0.277 CCCC(C)OCCCCC(C)C 7a_100011214890_100000766640 [0,2,0,0,0,0|1,0,1]=4 12912 B12R0.277 CCCC(C)OCCCNC(C)C 34a_100000182298_100000766640 [0,2,0,0,0,0|1,0,1]=4 12913 B12R0.277 CCCC(C)OCCNCC(C)C 34a_100015185251_100000766640 [0,2,0,0,0,0|1,0,1]=4 12914 B12R0.277 CCCC(C)OCCOCC(C)C 34a_100000703358_100000766640 [0,2,0,0,0,0|1,0,1]=4 12915 B12R0.277 CCCC(C)OCCOCC(C)C 7a_100000703358_100000766640 [0,2,0,0,0,0|1,0,1]=4 12916 B12R0.277 CCCC(C)OCCSCC(C)C 34a_200000230437_100000766640 [0,2,0,0,0,0|1,0,1]=4 12917 B12R0.277 CCCC(C)OCCSCC(C)C 7a_200000230437_100000766640 [0,2,0,0,0,0|1,0,1]=4 12918 B12R0.277 CCC[C@H](N)COCCCC(C)C 34a_100000732646_100011214892 [0,2,0,0,0,0|1,0,1]=4 12919 B12R0.277 CCC[C@H](N)COCCCC(C)O 34a_100000732646_200000718107 [0,2,0,0,0,0|1,0,1]=4 12920 B12R0.277 CCNC(=O)CCCCCC(C)C 11a_100015525214_100000766313 [0,2,0,0,0,0|2,0,0]=4 12921 B12R0.277 CCNC(=O)CCCCCC(C)C 240690a_100015525214_100000766313 [0,2,0,0,0,0|2,0,0]=4 12922 B12R0.277 CCNC(=O)CCCCCC(C)C 527a_100015525214_100000766313 [0,2,0,0,0,0|2,0,0]=4 12923 B12R0.277 CCNC(=O)CCNCCC(C)C 269862a_100025743525_100000185833 [0,2,0,0,0,0|2,0,0]=4 12924 B12R0.277 CCNC(=O)CCNCCC(C)C 34a_100025743525_100000210312 [0,2,0,0,0,0|2,0,0]=4 12925 B12R0.277 CCNC(=O)CCNCCC(C)O 2230a_200000755665_100000737597 [0,2,0,0,0,0|2,0,0]=4 12926 B12R0.277 CCNC(=O)CCNCCC(C)O 34a_100025743525_100012276601 [0,2,0,0,0,0|2,0,0]=4 12927 B12R0.277 CCNC(=O)CCOCCC(C)C 7a_100000210254_100000737597 [0,2,0,0,0,0|2,0,0]=4 12928 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000210312_100000737597 [0,2,0,0,0,0|2,0,0]=4 12929 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000737597_100000210312 [0,2,0,0,0,0|2,0,0]=4 12930 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100000737597_100012276601 [0,2,0,0,0,0|2,0,0]=4 12931 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100012276601_100000737597 [0,2,0,0,0,0|2,0,0]=4 12932 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_100016988866_100011214892 [0,2,0,0,0,0|2,0,0]=4 12933 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_200000737386_100000183381 [0,2,0,0,0,0|2,0,0]=4 12934 B12R0.277 CCNC(=O)CNCCCC(C)C 34a_200000737386_100000183381 [0,2,0,0,0,0|2,0,0]=4 12935 B12R0.277 CCNC(=O)CNCCCC(C)O 2230a_100016988866_200000718107 [0,2,0,0,0,0|2,0,0]=4 12936 B12R0.277 CCNC(=O)COCCCC(=O)C 34a_100000759063_100000183381 [0,2,0,0,0,0|1,0,1]=4 12937 B12R0.277 CCNC(=O)COCCCC(=O)C 7a_100000759063_100000183381 [0,2,0,0,0,0|1,0,1]=4 12938 B12R0.277 CCNC(=O)COCCCC(C)C 34a_100000210774_100000183381 [0,2,0,0,0,0|1,0,0]=3 12939 B12R0.277 CCNC(=O)COCCCC(C)C 7a_100000210774_100000183381 [0,2,0,0,0,0|1,0,0]=3 12940 B12R0.277 CCNC(=O)COCCNC(C)C 34a_100000224655_100000183381 [0,2,0,0,0,0|2,0,0]=4 12941 B12R0.277 CCNC(=O)COCCOC(C)C 34a_100000211219_100000183381 [0,2,0,0,0,0|2,0,0]=4 12942 B12R0.277 CCNC(=O)COCCOC(C)C 7a_100000211219_100000183381 [0,2,0,0,0,0|2,0,0]=4 12943 B12R0.277 CCNC(=O)COCCSC(C)C 34a_200011212901_100000183381 [0,2,0,0,0,0|2,0,0]=4 12944 B12R0.277 CCNC(=O)COCCSC(C)C 7a_200011212901_100000183381 [0,2,0,0,0,0|2,0,0]=4 12945 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100000183381_100011214892 [0,2,0,0,0,0|1,1,0]=4 12946 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100011214892_100000183381 [0,2,0,0,0,0|1,1,0]=4 12947 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_100000183381_200000718107 [0,2,0,0,0,0|1,1,0]=4 12948 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_200000718107_100000183381 [0,2,0,0,0,0|1,1,0]=4 12949 B12R0.277 CCNC(=O)NCCCCN(C)C 2708a_100015525214_100025707445 [0,2,0,0,0,0|2,0,0]=4 12950 B12R0.277 CCNC(=O)NCCCCN(C)C 2708a_100025707445_100015525214 [0,2,0,0,0,0|2,0,0]=4 12951 B12R0.277 CCNC(=O)NCCCCN(C)C 273464a_100015525214_100025707445 [0,2,0,0,0,0|2,0,0]=4 12952 B12R0.277 CCNC(=O)NCCCCN(C)C 273464a_100025707445_100015525214 [0,2,0,0,0,0|2,0,0]=4 12953 B12R0.277 CCNC(=O)NCCCCN(C)C 512a_100015525214_100025707445 [0,2,0,0,0,0|2,0,0]=4 12954 B12R0.277 CCNC(=O)NCCCCN(C)C 512a_100025707445_100015525214 [0,2,0,0,0,0|2,0,0]=4 12955 B12R0.277 CCNC(=O)NCCCOC(C)C 2708a_100000737246_100015525214 [0,2,0,0,0,0|2,0,0]=4 12956 B12R0.277 CCNC(=O)NCCCOC(C)C 2708a_100015525214_100000737246 [0,2,0,0,0,0|2,0,0]=4 12957 B12R0.277 CCNC(=O)NCCCOC(C)C 273464a_100000737246_100015525214 [0,2,0,0,0,0|2,0,0]=4 12958 B12R0.277 CCNC(=O)NCCCOC(C)C 273464a_100015525214_100000737246 [0,2,0,0,0,0|2,0,0]=4 12959 B12R0.277 CCNC(=O)NCCCOC(C)C 512a_100000737246_100015525214 [0,2,0,0,0,0|2,0,0]=4 12960 B12R0.277 CCNC(=O)NCCCOC(C)C 512a_100015525214_100000737246 [0,2,0,0,0,0|2,0,0]=4 12961 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,2,0,0,0,0|2,0,0]=4 12962 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,2,0,0,0,0|2,0,0]=4 12963 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,2,0,0,0,0|2,0,0]=4 12964 B12R0.277 CCOC(=O)CCCCCN(C)C 2230a_100102631434_100000755133 [0,2,0,0,0,0|2,0,0]=4 12965 B12R0.277 CCOC(=O)CCCCCN(C)C 269982a_100102631434_100000755133 [0,2,0,0,0,0|2,0,0]=4 12966 B12R0.277 CCOC(=O)CCCCNC(C)C 2230a_100138425928_100000750268 [0,2,0,0,0,0|2,0,0]=4 12967 B12R0.277 CCOC(=O)CCCCNC(C)C 34a_100138425928_100000750268 [0,2,0,0,0,0|2,0,0]=4 12968 B12R0.277 CCOC(=O)CCCCOC(C)C 34a_100000212225_100000750268 [0,2,0,0,0,0|2,0,0]=4 12969 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000210206_100000750268 [0,2,0,0,0,0|2,0,0]=4 12970 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000750268_100000210206 [0,2,0,0,0,0|2,0,0]=4 12971 B12R0.277 CCOC(=O)CCCNCC(C)C 2230a_100000210953_100009991533 [0,2,0,0,0,0|2,0,0]=4 12972 B12R0.277 CCOC(=O)CCCNCC(C)C 34a_100000210953_100009991533 [0,2,0,0,0,0|2,0,0]=4 12973 B12R0.277 CCOC(=O)CCCNCC(C)O 2230a_100000210904_100009991533 [0,2,0,0,0,0|2,0,0]=4 12974 B12R0.277 CCOC(=O)CCCNCC(C)O 34a_100000210904_100009991533 [0,2,0,0,0,0|2,0,0]=4 12975 B12R0.277 CCOC(=O)CCCOCC(C)Br 34a_100012180447_100009991533 [0,2,0,0,0,0|2,0,0]=4 12976 B12R0.277 CCOC(=O)CCCOCC(C)C 34a_100000210257_100009991533 [0,2,0,0,0,0|2,0,0]=4 12977 B12R0.277 CCOC(=O)CCCOCC(C)C 7a_100012001163_100000210760 [0,2,0,0,0,0|2,0,0]=4 12978 B12R0.277 CCOC(=O)CCCOCC(C)F 34a_100015925927_100009991533 [0,2,0,0,0,0|2,0,0]=4 12979 B12R0.277 CCOC(=O)CCCOCC(C)O 7a_100012001163_100011218427 [0,2,0,0,0,0|2,0,0]=4 12980 B12R0.277 CCOC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100009991533 [0,2,0,0,0,0|2,0,0]=4 12981 B12R0.277 CCOC(=O)CCCOC[C@@H](C)N 34a_100000737577_100009991533 [0,2,0,0,0,0|2,0,0]=4 12982 B12R0.277 CCOC(=O)CCCOC[C@@H](C)O 7a_100012001163_100009817552 [0,2,0,0,0,0|2,0,0]=4 12983 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100000210624_100009991533 [0,2,0,0,0,0|2,0,0]=4 12984 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100009991533_100000210760 [0,2,0,0,0,0|2,0,0]=4 12985 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100009991533_100011218427 [0,2,0,0,0,0|2,0,0]=4 12986 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100011218427_100009991533 [0,2,0,0,0,0|2,0,0]=4 12987 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009817552_100009991533 [0,2,0,0,0,0|2,0,0]=4 12988 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009991533_100009817552 [0,2,0,0,0,0|2,0,0]=4 12989 B12R0.277 CCOC(=O)CCNCCC(C)O 2230a_200000755665_100011206558 [0,2,0,0,0,0|2,0,0]=4 12990 B12R0.277 CCOC(=O)CCOCCC(C)Br 34a_100009893172_100000765890 [0,2,0,0,0,0|2,0,0]=4 12991 B12R0.277 CCOC(=O)CCOCCC(C)C 34a_100000210254_100000765890 [0,2,0,0,0,0|2,0,0]=4 12992 B12R0.277 CCOC(=O)CCOCCC(C)C 7a_100000210254_100011206558 [0,2,0,0,0,0|2,0,0]=4 12993 B12R0.277 CCOC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000765890 [0,2,0,0,0,0|2,0,0]=4 12994 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000210312_100000765890 [0,2,0,0,0,0|2,0,0]=4 12995 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000765890_100000210312 [0,2,0,0,0,0|2,0,0]=4 12996 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100000765890_100012276601 [0,2,0,0,0,0|2,0,0]=4 12997 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100012276601_100000765890 [0,2,0,0,0,0|2,0,0]=4 12998 B12R0.277 CCOC(=O)CNCCCC(C)C 2230a_200000737386_100000188475 [0,2,0,0,0,0|2,0,0]=4 12999 B12R0.277 CCOC(=O)CNCCCC(C)C 34a_200000737386_100000188475 [0,2,0,0,0,0|2,0,0]=4 13000 B12R0.277 CCOC(=O)COCCCC(=O)C 1458a_100000070787_100009893628 [0,2,0,0,0,0|1,0,1]=4 13001 B12R0.277 CCOC(=O)COCCCC(=O)C 34a_100000759063_100000188475 [0,2,0,0,0,0|1,0,1]=4 13002 B12R0.277 CCOC(=O)COCCCC(=O)C 7a_100000759063_100000188475 [0,2,0,0,0,0|1,0,1]=4 13003 B12R0.277 CCOC(=O)COCCCC(C)C 34a_100000210774_100000188475 [0,2,0,0,0,0|1,0,0]=3 13004 B12R0.277 CCOC(=O)COCCCC(C)C 7a_100000210774_100000188475 [0,2,0,0,0,0|1,0,0]=3 13005 B12R0.277 CCOC(=O)COCCCN(C)C 2230a_100102631434_100009893628 [0,2,0,0,0,0|2,0,0]=4 13006 B12R0.277 CCOC(=O)COCCCN(C)C 269982a_100102631434_100009893628 [0,2,0,0,0,0|2,0,0]=4 13007 B12R0.277 CCOC(=O)COCCNC(C)C 2230a_100138425928_100000088970 [0,2,0,0,0,0|2,0,0]=4 13008 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100000224655_100000188475 [0,2,0,0,0,0|2,0,0]=4 13009 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100138425928_100000088970 [0,2,0,0,0,0|2,0,0]=4 13010 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000211219_100000188475 [0,2,0,0,0,0|2,0,0]=4 13011 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000212225_100000088970 [0,2,0,0,0,0|2,0,0]=4 13012 B12R0.277 CCOC(=O)COCCOC(C)C 7a_100000211219_100000188475 [0,2,0,0,0,0|2,0,0]=4 13013 B12R0.277 CCOC(=O)COCCSC(C)C 34a_200011212901_100000188475 [0,2,0,0,0,0|2,0,0]=4 13014 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000088970_100000210206 [0,2,0,0,0,0|2,0,0]=4 13015 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000210206_100000088970 [0,2,0,0,0,0|2,0,0]=4 13016 B12R0.277 CCOC(=O)COCCSC(C)C 7a_200011212901_100000188475 [0,2,0,0,0,0|2,0,0]=4 13017 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100000188475_100011214892 [0,2,0,0,0,0|1,1,0]=4 13018 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100011214892_100000188475 [0,2,0,0,0,0|1,1,0]=4 13019 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_100000188475_200000718107 [0,2,0,0,0,0|1,1,0]=4 13020 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_200000718107_100000188475 [0,2,0,0,0,0|1,1,0]=4 13021 B12R0.277 CCOC(=O)NCCOCC(C)C 34a_100000158857_100000210624 [0,2,0,0,0,0|2,0,0]=4 13022 B12R0.277 CCOC(=O)NCCOCC(C)O 34a_100000158857_100011218427 [0,2,0,0,0,0|2,0,0]=4 13023 B12R0.277 CCOC(=O)NCCOC[C@@H](C)O 34a_100000158857_100009817552 [0,2,0,0,0,0|2,0,0]=4 13024 B12R0.277 CCOC(=O)NCCSCC(C)C 62a_100000210624_200011445536 [0,2,0,0,0,0|2,0,0]=4 13025 B12R0.277 CCOC(=O)NCCSCC(C)O 62a_100011218427_200011445536 [0,2,0,0,0,0|2,0,0]=4 13026 B12R0.277 CCOC(=O)NCCSC[C@@H](C)O 62a_100009817552_200011445536 [0,2,0,0,0,0|2,0,0]=4 13027 B12R0.277 CCOC(=O)OCSCCC(=O)C 62a_100000053229_100000075025 [0,2,0,0,0,0|1,0,1]=4 13028 B12R0.277 CCOC(=O)OCSCCC(C)C 62a_100000210312_100000075025 [0,2,0,0,0,0|1,0,0]=3 13029 B12R0.277 CCOC(=O)OCSCCC(C)O 62a_100012276601_100000075025 [0,2,0,0,0,0|1,0,0]=3 13030 B12R0.277 CCOC(=O)OCSCOC(C)C 62a_100000709892_100000075025 [0,2,0,0,0,0|2,0,0]=4 13031 B12R0.277 CN(C)CCCCNC(=O)CCO 240690a_100025707445_100011216618 [0,2,0,0,0,0|2,0,0]=4 13032 B12R0.277 CNCC(=O)NCCCOC(C)C 2230a_106832991635_100000230355 [0,2,0,0,0,0|2,0,0]=4 13033 B12R0.277 CNCC(=O)NCCCOC(C)C 34a_100102657272_100000230355 [0,2,0,0,0,0|2,0,0]=4 13034 B12R0.277 CNCC(=O)NCCCOC(C)C 7a_106832991635_100000230355 [0,2,0,0,0,0|2,0,0]=4 13035 B12R0.277 COCC(=O)CCCCCC(C)C 1458a_100000210968_100000210682 [0,2,0,0,0,0|2,0,0]=4 13036 B12R0.277 COCC(=O)NCCCCN(C)C 240690a_100025707445_100000210968 [0,2,0,0,0,0|2,0,0]=4 13037 B12R0.277 COCC(=O)NCCCOC(C)C 11a_100000737246_100000210968 [0,2,0,0,0,0|2,0,0]=4 13038 B12R0.277 COCC(=O)NCCCOC(C)C 1626a_100000737246_100000210968 [0,2,0,0,0,0|2,0,0]=4 13039 B12R0.277 COCC(=O)NCCCOC(C)C 240690a_100000737246_100000210968 [0,2,0,0,0,0|2,0,0]=4 13040 B12R0.277 COCC(=O)NCCCOC(C)C 34a_100138415774_100000230355 [0,2,0,0,0,0|2,0,0]=4 13041 B12R0.277 COCC(=O)NCCCOC(C)C 527a_100000737246_100000210968 [0,2,0,0,0,0|2,0,0]=4 13042 B12R0.277 CSCC(=O)CCCCCC(C)C 1458a_100000184570_100000210682 [0,2,0,0,0,0|2,0,0]=4 13043 B12R0.277 CSCC(=O)NCCCCN(C)C 240690a_100025707445_100000184570 [0,2,0,0,0,0|2,0,0]=4 13044 B12R0.277 CSCC(=O)NCCCOC(C)C 11a_100000737246_100000184570 [0,2,0,0,0,0|2,0,0]=4 13045 B12R0.277 CSCC(=O)NCCCOC(C)C 1626a_100000737246_100000184570 [0,2,0,0,0,0|2,0,0]=4 13046 B12R0.277 CSCC(=O)NCCCOC(C)C 240690a_100000737246_100000184570 [0,2,0,0,0,0|2,0,0]=4 13047 B12R0.277 CSCC(=O)NCCCOC(C)C 527a_100000737246_100000184570 [0,2,0,0,0,0|2,0,0]=4 13048 B12R0.277 CSCC(=O)NCCCOC(C)C 62a_100000230355_200000210301 [0,2,0,0,0,0|2,0,0]=4 13049 B12R0.277 CSCC(=O)NCCCOC(C)C 62a_200000210301_100000230355 [0,2,0,0,0,0|2,0,0]=4 13050 B12R0.285 C#CCC(C)OCOC(=O)CCC 34a_100000685586_100000034017 [0,2,0,0,0,0|0,0,2]=4 13051 B12R0.285 C/C=C/C(C)OCOC(=O)CCC 34a_200102604097_100000034017 [0,2,0,0,0,0|0,0,2]=4 13052 B12R0.285 C=CCC(C)COCC(=O)CCC 7a_100009832082_100000747444 [0,2,0,0,0,0|0,0,2]=4 13053 B12R0.285 C=CC[C@@H](C)OCOC(=O)CCC 34a_100000731007_100000034017 [0,2,0,0,0,0|0,0,2]=4 13054 B12R0.285 CC#CC(C)OCOC(=O)CCC 34a_100011216543_100000034017 [0,2,0,0,0,0|0,0,2]=4 13055 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [0,2,0,0,0,0|1,0,1]=4 13056 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [0,2,0,0,0,0|1,0,1]=4 13057 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [0,2,0,0,0,0|1,0,1]=4 13058 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [0,2,0,0,0,0|2,0,0]=4 13059 B12R0.285 CCCC(=O)CNCC(O)COC 2230a_100000756049_100000747444 [0,2,0,0,0,0|2,0,0]=4 13060 B12R0.285 CCCC(=O)COCC(C)CCC 7a_100000688023_100000747444 [0,2,0,0,0,0|0,0,0]=2 13061 B12R0.285 CCCC(=O)CSCC(=O)CCC 62a_100000747444_100000747444 [0,2,0,0,0,0|0,1,1]=4 13062 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100000747444_100011216630 [0,2,0,0,0,0|0,1,0]=3 13063 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100011216630_100000747444 [0,2,0,0,0,0|0,1,0]=3 13064 B12R0.285 CCCC(=O)CSCC(O)COC 62a_100000747444_100011215053 [0,2,0,0,0,0|1,1,0]=4 13065 B12R0.285 CCCC(=O)CSCC(O)COC 62a_100011215053_100000747444 [0,2,0,0,0,0|1,1,0]=4 13066 B12R0.285 CCCC(=O)NCCC(=O)NCC 11a_100025743525_100000211992 [0,2,0,0,0,0|1,0,1]=4 13067 B12R0.285 CCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000211992 [0,2,0,0,0,0|1,0,1]=4 13068 B12R0.285 CCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000211992 [0,2,0,0,0,0|1,0,1]=4 13069 B12R0.285 CCCC(=O)NCCC(=O)NCC 527a_100025743525_100000211992 [0,2,0,0,0,0|1,0,1]=4 13070 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [0,2,0,0,0,0|1,0,1]=4 13071 B12R0.285 CCCC(=O)NN=CC(C)CCC 4a_100000189770_100000243154 [0,2,0,0,0,0|1,0,1]=4 13072 B12R0.285 CCCC(=O)NNCC(O)CSC 22a_200000122717_100000211992 [0,2,0,0,0,0|2,0,0]=4 13073 B12R0.285 CCCC(=O)OCNC(C)CCC 2230a_100000741246_100000034017 [0,2,0,0,0,0|0,0,0]=2 13074 B12R0.285 CCCC(=O)OCN[C@@H](C)CC#N 2230a_100016994482_100000034017 [0,2,0,0,0,0|1,0,1]=4 13075 B12R0.285 CCCC(=O)OCN[C@H](C)CCO 2230a_100000706166_100000034017 [0,2,0,0,0,0|1,0,0]=3 13076 B12R0.285 CCCC(=O)OCN[C@H](C)CCO 34a_100000706166_100000034017 [0,2,0,0,0,0|1,0,0]=3 13077 B12R0.285 CCCC(=O)OCN[C@H](C)COC 2230a_100000764878_100000034017 [0,2,0,0,0,0|1,0,0]=3 13078 B12R0.285 CCCC(=O)OCOC(C)CCBr 34a_100012276601_100000034017 [0,2,0,0,0,0|1,0,0]=3 13079 B12R0.285 CCCC(=O)OCOC(C)CCC 34a_100000764384_100000034017 [0,2,0,0,0,0|0,0,0]=2 13080 B12R0.285 CCCC(=O)OCO[C@H](C)COC 34a_100011934205_100000034017 [0,2,0,0,0,0|1,0,0]=3 13081 B12R0.285 CCCC(=O)OCSC(C)CC#N 62a_100009813641_100000034017 [0,2,0,0,0,0|1,0,1]=4 13082 B12R0.285 CCCC(=O)OCSC(C)CCC 62a_100000766640_100000034017 [0,2,0,0,0,0|0,0,0]=2 13083 B12R0.285 CCCC(=O)OCSC(C)CCO 62a_100009893172_100000034017 [0,2,0,0,0,0|1,0,0]=3 13084 B12R0.285 CCCC(=O)OCSC(C)COC 62a_100000765312_100000034017 [0,2,0,0,0,0|1,0,0]=3 13085 B12R0.285 CCCC(C)CCOC(C)CCC 34a_100011217855_100000766640 [0,2,0,0,0,0|1,0,1]=4 13086 B12R0.285 CCCC(C)CCOC(C)CCC 7a_100011217855_100000766640 [0,2,0,0,0,0|1,0,1]=4 13087 B12R0.285 CCCC(C)CNCC(=O)NCC 2230a_100016988866_100011216630 [0,2,0,0,0,0|2,0,0]=4 13088 B12R0.285 CCCC(C)CNCC(=O)NCC 270004a_100016988866_100000243154 [0,2,0,0,0,0|2,0,0]=4 13089 B12R0.285 CCCC(C)COCC(=O)NCC 34a_100000688023_100000183381 [0,2,0,0,0,0|1,0,0]=3 13090 B12R0.285 CCCC(C)COCC(=O)NCC 7a_100000688023_100000183381 [0,2,0,0,0,0|1,0,0]=3 13091 B12R0.285 CCCC(C)COCC(=O)NCO 34a_100000688023_100000185155 [0,2,0,0,0,0|2,0,0]=4 13092 B12R0.285 CCCC(C)COCC(=O)NCO 7a_100000688023_100000185155 [0,2,0,0,0,0|2,0,0]=4 13093 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [0,2,0,0,0,0|1,0,0]=3 13094 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [0,2,0,0,0,0|1,0,0]=3 13095 B12R0.285 CCCC(C)COCC(C)CCC 34a_100000688023_100011216630 [0,2,0,0,0,0|1,0,1]=4 13096 B12R0.285 CCCC(C)COCC(C)CCC 7a_100000688023_100011216630 [0,2,0,0,0,0|1,0,1]=4 13097 B12R0.285 CCCC(C)COC[C@@H](N)CCC 34a_100000732646_100011216630 [0,2,0,0,0,0|1,0,1]=4 13098 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100000183381_100011216630 [0,2,0,0,0,0|1,1,0]=4 13099 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100011216630_100000183381 [0,2,0,0,0,0|1,1,0]=4 13100 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100000188475_100011216630 [0,2,0,0,0,0|1,1,0]=4 13101 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100011216630_100000188475 [0,2,0,0,0,0|1,1,0]=4 13102 B12R0.285 CCCC(C)NCCC(=O)NCC 2230a_100000741246_100000737597 [0,2,0,0,0,0|2,0,0]=4 13103 B12R0.285 CCCC(C)NCCC(=O)NCC 270004a_100025743525_100000211909 [0,2,0,0,0,0|2,0,0]=4 13104 B12R0.285 CCCC(C)NCCC(=O)NCC 34a_100025743525_100000766640 [0,2,0,0,0,0|2,0,0]=4 13105 B12R0.285 CCCC(C)NCCC(=O)OCC 2230a_100000741246_100011206558 [0,2,0,0,0,0|2,0,0]=4 13106 B12R0.285 CCCC(C)OCCC(=O)NCC 7a_100000764384_100000737597 [0,2,0,0,0,0|2,0,0]=4 13107 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [0,2,0,0,0,0|2,0,0]=4 13108 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [0,2,0,0,0,0|2,0,0]=4 13109 B12R0.285 CCCC(C)OCC[C@@H](N)CCC 34a_100015193777_100000766640 [0,2,0,0,0,0|1,0,1]=4 13110 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000737597_100000766640 [0,2,0,0,0,0|2,0,0]=4 13111 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000766640_100000737597 [0,2,0,0,0,0|2,0,0]=4 13112 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000765890_100000766640 [0,2,0,0,0,0|2,0,0]=4 13113 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000766640_100000765890 [0,2,0,0,0,0|2,0,0]=4 13114 B12R0.285 CCCC(C)SCOC(=O)OCC 62a_100000766640_100000075025 [0,2,0,0,0,0|1,0,0]=3 13115 B12R0.285 CCCN(C)CCCC(=O)OCC 2230a_100000747261_100009991533 [0,2,0,0,0,0|2,0,0]=4 13116 B12R0.285 CCCN(C)CCCC(=O)OCC 269982a_100000747261_100009991533 [0,2,0,0,0,0|2,0,0]=4 13117 B12R0.285 CCCN(C)CCNC(=O)OCC 269982a_100000747261_200011445536 [0,2,0,0,0,0|2,0,0]=4 13118 B12R0.285 CCC[C@H](N)COCC(=O)NCC 34a_100000732646_100000183381 [0,2,0,0,0,0|1,0,0]=3 13119 B12R0.285 CCC[C@H](N)COCC(=O)NCO 34a_100000732646_100000185155 [0,2,0,0,0,0|2,0,0]=4 13120 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [0,2,0,0,0,0|1,0,0]=3 13121 B12R0.285 CCNC(=O)COCC(C)CCN 34a_106354213184_100000183381 [0,2,0,0,0,0|2,0,0]=4 13122 B12R0.285 CCNC(=O)COCC(N)COC 34a_100000724102_100000183381 [0,2,0,0,0,0|2,0,0]=4 13123 B12R0.285 CCOC(=O)COCC(C)CCN 34a_106354213184_100000188475 [0,2,0,0,0,0|2,0,0]=4 13124 B12R0.285 CCOC(=O)COCC(N)COC 34a_100000724102_100000188475 [0,2,0,0,0,0|2,0,0]=4 13125 B12R0.285 CCOC(=O)OCSC(C)CCO 62a_100009893172_100000075025 [0,2,0,0,0,0|2,0,0]=4 13126 B12R0.285 CCOC(=O)OCSC(C)COC 62a_100000765312_100000075025 [0,2,0,0,0,0|2,0,0]=4 13127 B12R0.434 CCCC(C)(C)OCCCCCF 7a_100000748436_100000729378 [0,2,0,0,0,0|1,0,1]=4 13128 B12R0.434 CCCC(C)(C)OCCCCCO 7a_100000748436_100000746330 [0,2,0,0,0,0|1,0,1]=4 13129 B12R0.434 CCCC(C)(C)OCCCCOC 7a_100000748436_100000730899 [0,2,0,0,0,0|1,0,1]=4 13130 B12R0.434 CCCC(C)(C)OCCCOCC 7a_100000748436_100012232248 [0,2,0,0,0,0|1,0,1]=4 13131 B12R0.434 CCCCCCNS(=O)(=O)CCC 270084a_100000210581_100000211391 [0,2,0,0,0,0|2,0,0]=4 13132 B12R0.434 CCCCCCNS(=O)(=O)CCC 274078a_100000210581_100000211391 [0,2,0,0,0,0|2,0,0]=4 13133 B12R0.434 CCCCCCNS(=O)(=O)CCC 40a_100000210581_100000054278 [0,2,0,0,0,0|2,0,0]=4 13134 B12R0.434 CCCCCCOC(C)(C)CCC 7a_100000748436_100000210314 [0,2,0,0,0,0|1,0,1]=4 13135 B12R0.434 CCCCCNNS(=O)(=O)CCC 40a_100000694160_100000054278 [0,2,0,0,0,0|2,0,0]=4 13136 B12R0.434 CCCCCOCC(C)(C)CCC 7a_100011995695_100000210326 [0,2,0,0,0,0|1,0,1]=4 13137 B12R0.434 CCCOCCNS(=O)(=O)CCC 270084a_100161115042_100000211391 [0,2,0,0,0,0|2,0,0]=4 13138 B12R0.434 CCCOCCNS(=O)(=O)CCC 274078a_100161115042_100000211391 [0,2,0,0,0,0|2,0,0]=4 13139 B12R0.434 CCCOCCNS(=O)(=O)CCC 40a_100161115042_100000054278 [0,2,0,0,0,0|2,0,0]=4 13140 B12R0.434 CCCOCCOC(C)(C)CCC 7a_100000748436_100011215938 [0,2,0,0,0,0|1,0,1]=4 13141 B12R0.434 CCCS(=O)(=O)NCCCCCO 270084a_100000762737_100000211391 [0,2,0,0,0,0|2,0,0]=4 13142 B12R0.434 CCCS(=O)(=O)NCCCCCO 274078a_100000762737_100000211391 [0,2,0,0,0,0|2,0,0]=4 13143 B12R0.434 CCCS(=O)(=O)NCCCCCO 40a_100000762737_100000054278 [0,2,0,0,0,0|2,0,0]=4 13144 B12R0.434 CCCS(=O)(=O)NCCCOCC 270084a_100000210961_100000211391 [0,2,0,0,0,0|2,0,0]=4 13145 B12R0.434 CCCS(=O)(=O)NCCCOCC 274078a_100000210961_100000211391 [0,2,0,0,0,0|2,0,0]=4 13146 B12R0.434 CCCS(=O)(=O)NCCCOCC 40a_100000210961_100000054278 [0,2,0,0,0,0|2,0,0]=4 13147 B12R0.434 CCCSCCNS(=O)(=O)CCC 270084a_100020603323_100000211391 [0,2,0,0,0,0|2,0,0]=4 13148 B12R0.434 CCCSCCNS(=O)(=O)CCC 274078a_100020603323_100000211391 [0,2,0,0,0,0|2,0,0]=4 13149 B12R0.434 CCCSCCNS(=O)(=O)CCC 40a_100020603323_100000054278 [0,2,0,0,0,0|2,0,0]=4 13150 B12R0.68 CCC(C)CC(C)NC(=O)CCO 240690a_100000763565_100011216618 [0,2,0,0,0,0|2,0,0]=4 13151 B12R0.68 CCC(C)CC(C)NC(=O)COC 11a_100000763565_100000210968 [0,2,0,0,0,0|2,0,0]=4 13152 B12R0.68 CCC(C)CC(C)NC(=O)COC 1626a_100000763565_100000210968 [0,2,0,0,0,0|2,0,0]=4 13153 B12R0.68 CCC(C)CC(C)NC(=O)COC 240690a_100000763565_100000210968 [0,2,0,0,0,0|2,0,0]=4 13154 B12R0.68 CCC(C)CC(C)NC(=O)COC 527a_100000763565_100000210968 [0,2,0,0,0,0|2,0,0]=4 13155 B12R0.68 CCC(C)CC(C)NC(=O)CSC 11a_100000763565_100000184570 [0,2,0,0,0,0|2,0,0]=4 13156 B12R0.68 CCC(C)CC(C)NC(=O)CSC 1626a_100000763565_100000184570 [0,2,0,0,0,0|2,0,0]=4 13157 B12R0.68 CCC(C)CC(C)NC(=O)CSC 240690a_100000763565_100000184570 [0,2,0,0,0,0|2,0,0]=4 13158 B12R0.68 CCC(C)CC(C)NC(=O)CSC 527a_100000763565_100000184570 [0,2,0,0,0,0|2,0,0]=4 13159 B12R0.68 CCCC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000747444 [0,2,0,0,0,0|1,0,1]=4 13160 B12R0.68 CCCC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000747444 [0,2,0,0,0,0|1,0,1]=4 13161 B12R0.68 CCCC(=O)CN(C)CC(C)CC 2230a_100000753921_100000747444 [0,2,0,0,0,0|2,0,0]=4 13162 B12R0.68 CCCC(=O)CN(C)CC(C)CC 269982a_100000753921_100000747444 [0,2,0,0,0,0|2,0,0]=4 13163 B12R0.68 CCCC(=O)NC(C)CC(C)CC 11a_100000763565_100000211992 [0,2,0,0,0,0|1,0,0]=3 13164 B12R0.68 CCCC(=O)NC(C)CC(C)CC 1626a_100000763565_100000211992 [0,2,0,0,0,0|1,0,0]=3 13165 B12R0.68 CCCC(=O)NC(C)CC(C)CC 240690a_100000763565_100000211992 [0,2,0,0,0,0|1,0,0]=3 13166 B12R0.68 CCCC(=O)NC(C)CC(C)CC 527a_100000763565_100000211992 [0,2,0,0,0,0|1,0,0]=3 13167 B12R0.68 CCNC(=O)NC(C)CC(C)CC 2708a_100000763565_100015525214 [0,2,0,0,0,0|2,0,0]=4 13168 B12R0.68 CCNC(=O)NC(C)CC(C)CC 2708a_100015525214_100000763565 [0,2,0,0,0,0|2,0,0]=4 13169 B12R0.68 CCNC(=O)NC(C)CC(C)CC 273464a_100000763565_100015525214 [0,2,0,0,0,0|2,0,0]=4 13170 B12R0.68 CCNC(=O)NC(C)CC(C)CC 273464a_100015525214_100000763565 [0,2,0,0,0,0|2,0,0]=4 13171 B12R0.68 CCNC(=O)NC(C)CC(C)CC 512a_100000763565_100015525214 [0,2,0,0,0,0|2,0,0]=4 13172 B12R0.68 CCNC(=O)NC(C)CC(C)CC 512a_100015525214_100000763565 [0,2,0,0,0,0|2,0,0]=4 13173 B12R0.68 CCOC(=O)OC(C)SC(C)CC 62a_100000036008_100000758301 [0,2,0,0,0,0|2,0,0]=4 13174 B12R0.68 CCOC(=O)OC(C)SC(C)CC 62a_100000758301_100000036008 [0,2,0,0,0,0|2,0,0]=4 13175 B12R0.69 CCCC(=O)CC(=O)C(C)CCC 1458a_100000210906_100000747444 [0,2,0,0,0,0|1,0,1]=4 13176 B12R0.69 CCCC(=O)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000747444 [0,2,0,0,0,0|1,0,1]=4 13177 B12R0.69 CCCC(=O)N(C)CC(O)COC 240690a_100000739405_100000211992 [0,2,0,0,0,0|2,0,0]=4 13178 B12R0.69 CCCC(=O)N(C)CC(O)COC 527a_100000739405_100000211992 [0,2,0,0,0,0|2,0,0]=4 13179 B12R0.69 CCCC(=O)NC(C)C(=O)CCC 1458a_100000205598_100000210303 [0,2,0,0,0,0|1,0,1]=4 13180 B12R0.69 CCCC(C)CC(=O)C(=O)NCC 1458a_200011297158_100011216630 [0,2,0,0,0,0|2,0,0]=4 13181 B12R0.69 CCCC(C)OC(C)C(C)CCC 34a_100000708338_100000766640 [0,2,0,0,0,0|1,0,1]=4 13182 B12R0.69 CCCC(C)OC(C)C(C)CCC 7a_100000708338_100000766640 [0,2,0,0,0,0|1,0,1]=4 13183 B12R0.69 CCCN(C)C(C)OC(=O)OCC 269982a_100000747261_100000036008 [0,2,0,0,0,0|2,0,0]=4 13184 B12R0.103 C#CCCC(=O)NC(C)CCCC 11a_100000126638_100000692101 [0,2,0,0,0,0|1,0,1]=4 13185 B12R0.103 C#CCCC(=O)NC(C)CCCC 1626a_100000126638_100000692101 [0,2,0,0,0,0|1,0,1]=4 13186 B12R0.103 C#CCCC(=O)NC(C)CCCC 240690a_100000126638_100000692101 [0,2,0,0,0,0|1,0,1]=4 13187 B12R0.103 C#CCCC(=O)NC(C)CCCC 527a_100000126638_100000692101 [0,2,0,0,0,0|1,0,1]=4 13188 B12R0.103 C=CCCC(=O)NC(C)CCCC 11a_100000126638_100000749702 [0,2,0,0,0,0|1,0,1]=4 13189 B12R0.103 C=CCCC(=O)NC(C)CCCC 1626a_100000126638_100000749702 [0,2,0,0,0,0|1,0,1]=4 13190 B12R0.103 C=CCCC(=O)NC(C)CCCC 240690a_100000126638_100000749702 [0,2,0,0,0,0|1,0,1]=4 13191 B12R0.103 C=CCCC(=O)NC(C)CCCC 527a_100000126638_100000749702 [0,2,0,0,0,0|1,0,1]=4 13192 B12R0.103 CC=CCC(=O)NC(C)CCCC 11a_100000126638_100121576822 [0,2,0,0,0,0|1,0,1]=4 13193 B12R0.103 CC=CCC(=O)NC(C)CCCC 1626a_100000126638_100121576822 [0,2,0,0,0,0|1,0,1]=4 13194 B12R0.103 CC=CCC(=O)NC(C)CCCC 240690a_100000126638_100121576822 [0,2,0,0,0,0|1,0,1]=4 13195 B12R0.103 CC=CCC(=O)NC(C)CCCC 527a_100000126638_100121576822 [0,2,0,0,0,0|1,0,1]=4 13196 B12R0.103 CCC=CC(=O)NC(C)CCCC 11a_100000126638_100000212282 [0,2,0,0,0,0|1,0,1]=4 13197 B12R0.103 CCC=CC(=O)NC(C)CCCC 1626a_100000126638_100000212282 [0,2,0,0,0,0|1,0,1]=4 13198 B12R0.103 CCC=CC(=O)NC(C)CCCC 240690a_100000126638_100000212282 [0,2,0,0,0,0|1,0,1]=4 13199 B12R0.103 CCCCC(=O)CC(=O)NCCC 1458a_100000210183_100000183358 [0,2,0,0,0,0|1,0,1]=4 13200 B12R0.103 CCCCC(=O)CC(=O)OCCC 1458a_100000210183_200011215008 [0,2,0,0,0,0|1,0,1]=4 13201 B12R0.103 CCCCC(=O)NC(C)CCCC 11a_100000126638_100000210183 [0,2,0,0,0,0|1,0,0]=3 13202 B12R0.103 CCCCC(=O)NC(C)CCCC 1626a_100000126638_100000210183 [0,2,0,0,0,0|1,0,0]=3 13203 B12R0.103 CCCCC(=O)NC(C)CCCC 240690a_100000126638_100000210183 [0,2,0,0,0,0|1,0,0]=3 13204 B12R0.103 CCCCC(=O)NC(C)CCCC 527a_100000126638_100000210183 [0,2,0,0,0,0|1,0,0]=3 13205 B12R0.103 CCCCC(C)NC(=O)CCC#N 11a_100000126638_100011934036 [0,2,0,0,0,0|1,0,1]=4 13206 B12R0.103 CCCCC(C)NC(=O)CCC#N 1626a_100000126638_100011934036 [0,2,0,0,0,0|1,0,1]=4 13207 B12R0.103 CCCCC(C)NC(=O)CCC#N 240690a_100000126638_100011934036 [0,2,0,0,0,0|1,0,1]=4 13208 B12R0.103 CCCCC(C)NC(=O)CCC#N 527a_100000126638_100011934036 [0,2,0,0,0,0|1,0,1]=4 13209 B12R0.103 CCCCC(C)NC(=O)CCOC 11a_100000126638_100000749529 [0,2,0,0,0,0|1,0,0]=3 13210 B12R0.103 CCCCC(C)NC(=O)CCOC 1626a_100000126638_100000749529 [0,2,0,0,0,0|1,0,0]=3 13211 B12R0.103 CCCCC(C)NC(=O)CCOC 240690a_100000126638_100000749529 [0,2,0,0,0,0|1,0,0]=3 13212 B12R0.103 CCCCC(C)NC(=O)CCOC 527a_100000126638_100000749529 [0,2,0,0,0,0|1,0,0]=3 13213 B12R0.103 CCCCC(C)NC(=O)CCSC 11a_100000126638_100000174002 [0,2,0,0,0,0|1,0,0]=3 13214 B12R0.103 CCCCC(C)NC(=O)CCSC 1626a_100000126638_100000174002 [0,2,0,0,0,0|1,0,0]=3 13215 B12R0.103 CCCCC(C)NC(=O)CCSC 240690a_100000126638_100000174002 [0,2,0,0,0,0|1,0,0]=3 13216 B12R0.103 CCCCC(C)NC(=O)CCSC 527a_100000126638_100000174002 [0,2,0,0,0,0|1,0,0]=3 13217 B12R0.103 CCCCC(C)NC(=O)COCC 11a_100000126638_100000211967 [0,2,0,0,0,0|1,0,0]=3 13218 B12R0.103 CCCCC(C)NC(=O)COCC 1626a_100000126638_100000211967 [0,2,0,0,0,0|1,0,0]=3 13219 B12R0.103 CCCCC(C)NC(=O)COCC 240690a_100000126638_100000211967 [0,2,0,0,0,0|1,0,0]=3 13220 B12R0.103 CCCCC(C)NC(=O)COCC 527a_100000126638_100000211967 [0,2,0,0,0,0|1,0,0]=3 13221 B12R0.103 CCCCC(C)NC(=O)CSCC 11a_100000126638_100000230394 [0,2,0,0,0,0|1,0,0]=3 13222 B12R0.103 CCCCC(C)NC(=O)CSCC 1626a_100000126638_100000230394 [0,2,0,0,0,0|1,0,0]=3 13223 B12R0.103 CCCCC(C)NC(=O)CSCC 240690a_100000126638_100000230394 [0,2,0,0,0,0|1,0,0]=3 13224 B12R0.103 CCCCC(C)NC(=O)CSCC 527a_100000126638_100000230394 [0,2,0,0,0,0|1,0,0]=3 13225 B12R0.103 CCCCC(C)NC(=O)NCCC 2708a_100000126638_100020643023 [0,2,0,0,0,0|1,0,0]=3 13226 B12R0.103 CCCCC(C)NC(=O)NCCC 2708a_100020643023_100000126638 [0,2,0,0,0,0|1,0,0]=3 13227 B12R0.103 CCCCC(C)NC(=O)NCCC 273464a_100000126638_100020643023 [0,2,0,0,0,0|1,0,0]=3 13228 B12R0.103 CCCCC(C)NC(=O)NCCC 273464a_100020643023_100000126638 [0,2,0,0,0,0|1,0,0]=3 13229 B12R0.103 CCCCC(C)NC(=O)NCCC 512a_100000126638_100020643023 [0,2,0,0,0,0|1,0,0]=3 13230 B12R0.103 CCCCC(C)NC(=O)NCCC 512a_100020643023_100000126638 [0,2,0,0,0,0|1,0,0]=3 13231 B12R0.103 CCCCC(C)NC(=O)NCCF 2708a_100000126638_100000724931 [0,2,0,0,0,0|2,0,0]=4 13232 B12R0.103 CCCCC(C)NC(=O)NCCF 273464a_100000126638_100000724931 [0,2,0,0,0,0|2,0,0]=4 13233 B12R0.103 CCCCC(C)NC(=O)NCCF 273464a_100000724931_100000126638 [0,2,0,0,0,0|2,0,0]=4 13234 B12R0.103 CCCCC(C)NC(=O)NCCF 512a_100000126638_100000724931 [0,2,0,0,0,0|2,0,0]=4 13235 B12R0.103 CCCCC(C)NC(=O)NCCO 2708a_100000126638_100000210304 [0,2,0,0,0,0|2,0,0]=4 13236 B12R0.103 CCCCC(C)NC(=O)NCCO 273464a_100000126638_100000210304 [0,2,0,0,0,0|2,0,0]=4 13237 B12R0.103 CCCCC(C)NC(=O)NCCO 273464a_100000210304_100000126638 [0,2,0,0,0,0|2,0,0]=4 13238 B12R0.103 CCCCC(C)NC(=O)NCCO 512a_100000126638_100000210304 [0,2,0,0,0,0|2,0,0]=4 13239 B12R0.103 CCCCC(C)NC(=O)NNCC 273464a_100000126638_100000756455 [0,2,0,0,0,0|2,0,0]=4 13240 B12R0.103 CCCCC(C)NC(=O)NNCC 512a_100000126638_100000756455 [0,2,0,0,0,0|2,0,0]=4 13241 B12R0.103 CCCCC(C)NC(=O)NNCC 512a_100000756455_100000126638 [0,2,0,0,0,0|2,0,0]=4 13242 B12R0.103 CCCCC(C)OC(C)CCCC 34a_100000687866_200011215066 [0,2,0,0,0,0|1,0,1]=4 13243 B12R0.103 CCCCC(C)OC(C)CCCC 7a_100000687866_200011215066 [0,2,0,0,0,0|1,0,1]=4 13244 B12R0.103 CCCCC(C)OC(C)CCCCl 34a_200000718107_200011215066 [0,2,0,0,0,0|1,0,1]=4 13245 B12R0.103 CCCCC(C)OC(C)CCCCl 7a_200000718107_200011215066 [0,2,0,0,0,0|1,0,1]=4 13246 B12R0.103 CCCCC(C)OC(C)COCC 34a_100000718985_200011215066 [0,2,0,0,0,0|1,0,1]=4 13247 B12R0.103 CCCCC(C)OC(C)COCC 7a_100000718985_200011215066 [0,2,0,0,0,0|1,0,1]=4 13248 B12R0.103 CCCCN(C)CC(=O)NCCC 2230a_100000207549_100000183358 [0,2,0,0,0,0|2,0,0]=4 13249 B12R0.103 CCCCN(C)CC(=O)NCCC 2230a_100000684209_100000210211 [0,2,0,0,0,0|2,0,0]=4 13250 B12R0.103 CCCCN(C)CC(=O)NCCC 269982a_100000207549_100000183358 [0,2,0,0,0,0|2,0,0]=4 13251 B12R0.103 CCCCN(C)CC(=O)NCCC 269982a_100000684209_100000210211 [0,2,0,0,0,0|2,0,0]=4 13252 B12R0.103 CCCCN(C)CC(=O)OCCC 2230a_100000207549_200011215008 [0,2,0,0,0,0|2,0,0]=4 13253 B12R0.103 CCCCN(C)CC(=O)OCCC 269982a_100000207549_200011215008 [0,2,0,0,0,0|2,0,0]=4 13254 B12R0.132 C#CC(CCC)OC(C)CCCC 34a_200011217317_200011215066 [0,2,0,0,0,0|1,0,1]=4 13255 B12R0.132 C#CC(CCC)OC(C)CCCC 7a_200011217317_200011215066 [0,2,0,0,0,0|1,0,1]=4 13256 B12R0.132 C=CC(CCC)OC(C)CCCC 34a_100011216692_200011215066 [0,2,0,0,0,0|1,0,1]=4 13257 B12R0.132 C=CC(CCC)OC(C)CCCC 7a_100011216692_200011215066 [0,2,0,0,0,0|1,0,1]=4 13258 B12R0.132 CCCCC(C)OC(C#N)CCC 34a_100000686963_200011215066 [0,2,0,0,0,0|1,0,1]=4 13259 B12R0.132 CCCCC(C)OC(C#N)CCC 7a_100000686963_200011215066 [0,2,0,0,0,0|1,0,1]=4 13260 B12R0.132 CCCCC(C)OC(CC)CCC 34a_100000687864_200011215066 [0,2,0,0,0,0|1,0,1]=4 13261 B12R0.132 CCCCC(C)OC(CC)CCC 7a_100000687864_200011215066 [0,2,0,0,0,0|1,0,1]=4 13262 B12R0.132 CCCCC(C)OC(CC)CCC 7a_100000687866_100011219200 [0,2,0,0,0,0|1,0,1]=4 13263 B12R0.134 CCCCC(C)NC(=O)C(C)CC 11a_100000126638_100011192722 [0,2,0,0,0,0|1,0,0]=3 13264 B12R0.134 CCCCC(C)NC(=O)C(C)CC 1626a_100000126638_100011192722 [0,2,0,0,0,0|1,0,0]=3 13265 B12R0.134 CCCCC(C)NC(=O)C(C)CC 240690a_100000126638_100011192722 [0,2,0,0,0,0|1,0,0]=3 13266 B12R0.134 CCCCC(C)NC(=O)C(C)CC 527a_100000126638_100011192722 [0,2,0,0,0,0|1,0,0]=3 13267 B12R0.134 CCCCC(C)NC(=O)C(C)OC 11a_100000126638_100000743197 [0,2,0,0,0,0|2,0,0]=4 13268 B12R0.134 CCCCC(C)NC(=O)C(C)OC 1626a_100000126638_100000743197 [0,2,0,0,0,0|2,0,0]=4 13269 B12R0.134 CCCCC(C)NC(=O)C(C)OC 240690a_100000126638_100000743197 [0,2,0,0,0,0|2,0,0]=4 13270 B12R0.134 CCCCC(C)NC(=O)C(C)OC 527a_100000126638_100000743197 [0,2,0,0,0,0|2,0,0]=4 13271 B12R0.134 CCCCC(C)NC(=O)C(C)SC 11a_100000126638_100000149566 [0,2,0,0,0,0|2,0,0]=4 13272 B12R0.134 CCCCC(C)NC(=O)C(C)SC 1626a_100000126638_100000149566 [0,2,0,0,0,0|2,0,0]=4 13273 B12R0.134 CCCCC(C)NC(=O)C(C)SC 240690a_100000126638_100000149566 [0,2,0,0,0,0|2,0,0]=4 13274 B12R0.134 CCCCC(C)NC(=O)C(C)SC 527a_100000126638_100000149566 [0,2,0,0,0,0|2,0,0]=4 13275 B12R0.134 CCCCC(C)NC(=O)C(O)CC 240690a_100000126638_100011196387 [0,2,0,0,0,0|1,0,0]=3 13276 B12R0.134 CCCCC(C)NC(=O)C(O)CO 240690a_100000126638_100011215603 [0,2,0,0,0,0|2,0,0]=4 13277 B12R0.134 CCCCC(C)NC(=O)N(C)CC 2708a_100000126638_100000225621 [0,2,0,0,0,0|2,0,0]=4 13278 B12R0.134 CCCCC(C)NC(=O)N(C)CC 273464a_100000126638_100000225621 [0,2,0,0,0,0|2,0,0]=4 13279 B12R0.134 CCCCC(C)OC(C)C(C)CC 7a_100011215189_200011215066 [0,2,0,0,0,0|1,0,1]=4 13280 B12R0.283 CC(C)CCC(C)NC(=O)CCO 240690a_100138410893_100011216618 [0,2,0,0,0,0|2,0,0]=4 13281 B12R0.283 CC(C)CCC(C)NC(=O)CS[13CH3] 62a_100000229880_200025704644 [0,2,0,0,0,0|2,0,0]=4 13282 B12R0.283 CC(C)CCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000229880 [0,2,0,0,0,0|2,0,0]=4 13283 B12R0.283 CCCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747444 [0,2,0,0,0,0|1,0,1]=4 13284 B12R0.283 CCCC(=O)CN(C)CCC(C)C 2230a_100000742789_100000747444 [0,2,0,0,0,0|2,0,0]=4 13285 B12R0.283 CCCC(=O)CN(C)CCC(C)C 269982a_100000742789_100000747444 [0,2,0,0,0,0|2,0,0]=4 13286 B12R0.283 CCCC(=O)NC(C)CCC(C)C 11a_100138410893_100000211992 [0,2,0,0,0,0|1,0,0]=3 13287 B12R0.283 CCCC(=O)NC(C)CCC(C)C 1626a_100138410893_100000211992 [0,2,0,0,0,0|1,0,0]=3 13288 B12R0.283 CCCC(=O)NC(C)CCC(C)C 240690a_100138410893_100000211992 [0,2,0,0,0,0|1,0,0]=3 13289 B12R0.283 CCCC(=O)NC(C)CCC(C)C 527a_100138410893_100000211992 [0,2,0,0,0,0|1,0,0]=3 13290 B12R0.283 CCCC(C)OC(C)CCC(C)C 34a_100000764384_100011261404 [0,2,0,0,0,0|1,0,1]=4 13291 B12R0.283 CCCC(C)OC(C)CCC(C)C 34a_100011215350_100000766640 [0,2,0,0,0,0|1,0,1]=4 13292 B12R0.283 CCCC(C)OC(C)CCC(C)C 7a_100011215350_100000766640 [0,2,0,0,0,0|1,0,1]=4 13293 B12R0.283 CCNC(=O)NC(C)CCC(C)C 2708a_100015525214_100138410893 [0,2,0,0,0,0|2,0,0]=4 13294 B12R0.283 CCNC(=O)NC(C)CCC(C)C 2708a_100138410893_100015525214 [0,2,0,0,0,0|2,0,0]=4 13295 B12R0.283 CCNC(=O)NC(C)CCC(C)C 273464a_100138410893_100015525214 [0,2,0,0,0,0|2,0,0]=4 13296 B12R0.283 CCNC(=O)NC(C)CCC(C)C 512a_100015525214_100138410893 [0,2,0,0,0,0|2,0,0]=4 13297 B12R0.283 CCNC(=O)NC(C)CCC(C)C 512a_100138410893_100015525214 [0,2,0,0,0,0|2,0,0]=4 13298 B12R0.283 CCOC(=O)OC(C)SCC(C)C 62a_100000036008_100000210760 [0,2,0,0,0,0|2,0,0]=4 13299 B12R0.283 CCOC(=O)OC(C)SCC(C)C 62a_100000210624_100000036008 [0,2,0,0,0,0|2,0,0]=4 13300 B12R0.283 CCOC(=O)OC(C)SCC(C)O 62a_100000036008_100011218427 [0,2,0,0,0,0|2,0,0]=4 13301 B12R0.283 CCOC(=O)OC(C)SCC(C)O 62a_100011218427_100000036008 [0,2,0,0,0,0|2,0,0]=4 13302 B12R0.283 CCOC(=O)OC(C)SC[C@@H](C)O 62a_100000036008_100009817552 [0,2,0,0,0,0|2,0,0]=4 13303 B12R0.283 CCOC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100000036008 [0,2,0,0,0,0|2,0,0]=4 13304 B12R0.283 CNCC(=O)NC(C)CCC(C)C 2230a_106832991635_100000229880 [0,2,0,0,0,0|2,0,0]=4 13305 B12R0.283 CNCC(=O)NC(C)CCC(C)C 34a_100102657272_100000229880 [0,2,0,0,0,0|2,0,0]=4 13306 B12R0.283 CNCC(=O)NC(C)CCC(C)C 7a_106832991635_100000229880 [0,2,0,0,0,0|2,0,0]=4 13307 B12R0.283 COCC(=O)NC(C)CCC(C)C 11a_100138410893_100000210968 [0,2,0,0,0,0|2,0,0]=4 13308 B12R0.283 COCC(=O)NC(C)CCC(C)C 1626a_100138410893_100000210968 [0,2,0,0,0,0|2,0,0]=4 13309 B12R0.283 COCC(=O)NC(C)CCC(C)C 240690a_100138410893_100000210968 [0,2,0,0,0,0|2,0,0]=4 13310 B12R0.283 COCC(=O)NC(C)CCC(C)C 34a_100138415774_100000229880 [0,2,0,0,0,0|2,0,0]=4 13311 B12R0.283 COCC(=O)NC(C)CCC(C)C 527a_100138410893_100000210968 [0,2,0,0,0,0|2,0,0]=4 13312 B12R0.283 CSCC(=O)NC(C)CCC(C)C 11a_100138410893_100000184570 [0,2,0,0,0,0|2,0,0]=4 13313 B12R0.283 CSCC(=O)NC(C)CCC(C)C 1626a_100138410893_100000184570 [0,2,0,0,0,0|2,0,0]=4 13314 B12R0.283 CSCC(=O)NC(C)CCC(C)C 240690a_100138410893_100000184570 [0,2,0,0,0,0|2,0,0]=4 13315 B12R0.283 CSCC(=O)NC(C)CCC(C)C 527a_100138410893_100000184570 [0,2,0,0,0,0|2,0,0]=4 13316 B12R0.283 CSCC(=O)NC(C)CCC(C)C 62a_100000229880_200000210301 [0,2,0,0,0,0|2,0,0]=4 13317 B12R0.283 CSCC(=O)NC(C)CCC(C)C 62a_200000210301_100000229880 [0,2,0,0,0,0|2,0,0]=4 13318 B12R0.353 CCCCC(C)C(=O)C(=O)NCC 1458a_200011297158_200011215066 [0,2,0,0,0,0|2,0,0]=4 13319 B12R0.453 CCCCC(C)NS(=O)(=O)CCC 270084a_100000126638_100000211391 [0,2,0,0,0,0|2,0,0]=4 13320 B12R0.453 CCCCC(C)NS(=O)(=O)CCC 274078a_100000126638_100000211391 [0,2,0,0,0,0|2,0,0]=4 13321 B12R0.453 CCCCC(C)NS(=O)(=O)CCC 40a_100000126638_100000054278 [0,2,0,0,0,0|2,0,0]=4 13322 B12R0.453 CCCCC(C)OC(C)(C)CCC 7a_100000748436_200011215066 [0,2,0,0,0,0|1,0,1]=4 13323 B12R0.607 C#CC(CCCC)OC(C)CCC 34a_200011217967_100000766640 [0,2,0,0,0,0|1,0,1]=4 13324 B12R0.607 C#CC(CCCC)OC(C)CCC 7a_200011217967_100000766640 [0,2,0,0,0,0|1,0,1]=4 13325 B12R0.607 C=CC(CCCC)OC(C)CCC 34a_200011215037_100000766640 [0,2,0,0,0,0|1,0,1]=4 13326 B12R0.607 C=CC(CCCC)OC(C)CCC 7a_200011215037_100000766640 [0,2,0,0,0,0|1,0,1]=4 13327 B12R0.607 CCCC(=O)N[C@H](CO)CCSC 240690a_100011827619_100000211992 [0,2,0,0,0,0|2,0,0]=4 13328 B12R0.607 CCCC(=O)N[C@H](CO)CCSC 527a_100011827619_100000211992 [0,2,0,0,0,0|2,0,0]=4 13329 B12R0.607 CCCCC(CC)CC(=O)CCC 1458a_100000211992_100000211942 [0,2,0,0,0,0|1,0,0]=3 13330 B12R0.607 CCCCC(CC)CC(=O)CCO 1458a_100011216618_100000211942 [0,2,0,0,0,0|2,0,0]=4 13331 B12R0.607 CCCCC(CC)CC(=O)COC 1458a_100000210968_100000211942 [0,2,0,0,0,0|2,0,0]=4 13332 B12R0.607 CCCCC(CC)CC(=O)CSC 1458a_100000184570_100000211942 [0,2,0,0,0,0|2,0,0]=4 13333 B12R0.607 CCCCC(CC)OC(C)CCC 34a_100000764384_200011216223 [0,2,0,0,0,0|1,0,1]=4 13334 B12R0.607 CCCCC(CC)OC(C)CCC 34a_100011215227_100000766640 [0,2,0,0,0,0|1,0,1]=4 13335 B12R0.607 CCCCC(CC)OC(C)CCC 7a_100000764384_200011216223 [0,2,0,0,0,0|1,0,1]=4 13336 B12R0.607 CCCCC(CC)OC(C)CCC 7a_100011215227_100000766640 [0,2,0,0,0,0|1,0,1]=4 13337 B12R0.607 CCCCN(CC)CC(=O)CCC 2230a_100000207695_100000747444 [0,2,0,0,0,0|2,0,0]=4 13338 B12R0.607 CCCCN(CC)CC(=O)CCC 269982a_100000207695_100000747444 [0,2,0,0,0,0|2,0,0]=4 13339 B12R0.607 CCCC[C@@H](CO)NC(=O)CCC 240690a_100011934283_100000211992 [0,2,0,0,0,0|1,0,0]=3 13340 B12R0.607 CCCC[C@@H](CO)NC(=O)CCC 527a_100011934283_100000211992 [0,2,0,0,0,0|1,0,0]=3 13341 B12R0.607 CCCC[C@@H](CO)NC(=O)CCO 240690a_100011934283_100011216618 [0,2,0,0,0,0|2,0,0]=4 13342 B12R0.607 CCCC[C@@H](CO)NC(=O)COC 240690a_100011934283_100000210968 [0,2,0,0,0,0|2,0,0]=4 13343 B12R0.607 CCCC[C@@H](CO)NC(=O)COC 527a_100011934283_100000210968 [0,2,0,0,0,0|2,0,0]=4 13344 B12R0.607 CCCC[C@@H](CO)NC(=O)CSC 240690a_100011934283_100000184570 [0,2,0,0,0,0|2,0,0]=4 13345 B12R0.607 CCCC[C@@H](CO)NC(=O)CSC 527a_100011934283_100000184570 [0,2,0,0,0,0|2,0,0]=4 13346 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 2708a_100015525214_100011934283 [0,2,0,0,0,0|2,0,0]=4 13347 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 273464a_100011934283_100015525214 [0,2,0,0,0,0|2,0,0]=4 13348 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 273464a_100015525214_100011934283 [0,2,0,0,0,0|2,0,0]=4 13349 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 512a_100011934283_100015525214 [0,2,0,0,0,0|2,0,0]=4 13350 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 512a_100015525214_100011934283 [0,2,0,0,0,0|2,0,0]=4 13351 B12R0.661 CCCCC(C)(C)OC(C)CCC 7a_100011219641_100000766640 [0,2,0,0,0,0|1,0,1]=4 13352 B12R0.661 CCCCS(=O)(=O)NC(=O)CCC 2740a_100000178431_100000211992 [0,2,0,0,0,0|2,0,0]=4 13353 B12R0.661 CCCC[Si](C)(C)CC(=O)CCC 1458a_100000211992_200000073895 [0,2,0,0,0,0|1,1,0]=4 13354 B12R0.74 C#CC(CCC)OCC(=O)CCC 7a_200011217317_100000747444 [0,2,0,0,0,0|2,0,0]=4 13355 B12R0.74 C#CC(CCC)OCC(C)CCC 34a_200011217317_100011216630 [0,2,0,0,0,0|1,0,1]=4 13356 B12R0.74 C#CC(CCC)OCC(C)CCC 7a_200011217317_100011216630 [0,2,0,0,0,0|1,0,1]=4 13357 B12R0.74 C=CC(CCC)OCC(=O)CCC 7a_100011216692_100000747444 [0,2,0,0,0,0|2,0,0]=4 13358 B12R0.74 C=CC(CCC)OCC(C)CCC 34a_100011216692_100011216630 [0,2,0,0,0,0|1,0,1]=4 13359 B12R0.74 C=CC(CCC)OCC(C)CCC 7a_100011216692_100011216630 [0,2,0,0,0,0|1,0,1]=4 13360 B12R0.74 CCCC(=O)CNC(CC)CCC 2230a_100000747048_100000747444 [0,2,0,0,0,0|2,0,0]=4 13361 B12R0.74 CCCC(=O)CN[C@H](CO)CCC 2230a_100000732646_100000747444 [0,2,0,0,0,0|2,0,0]=4 13362 B12R0.74 CCCC(=O)COC(C#N)CCC 7a_100000686963_100000747444 [0,2,0,0,0,0|2,0,0]=4 13363 B12R0.74 CCCC(=O)COC(CC)CCC 7a_100000687864_100000747444 [0,2,0,0,0,0|2,0,0]=4 13364 B12R0.74 CCCC(=O)CSC(CC)CCC 62a_100000747444_100011219200 [0,2,0,0,0,0|2,0,0]=4 13365 B12R0.74 CCCC(=O)CSC(CC)CCC 62a_100011219200_100000747444 [0,2,0,0,0,0|2,0,0]=4 13366 B12R0.74 CCCC(=O)NCC(CC)OCC 11a_100015183923_100000211992 [0,2,0,0,0,0|2,0,0]=4 13367 B12R0.74 CCCC(=O)NCC(CC)OCC 1626a_100015183923_100000211992 [0,2,0,0,0,0|2,0,0]=4 13368 B12R0.74 CCCC(=O)NCC(CC)OCC 240690a_100015183923_100000211992 [0,2,0,0,0,0|2,0,0]=4 13369 B12R0.74 CCCC(=O)NCC(CC)OCC 527a_100015183923_100000211992 [0,2,0,0,0,0|2,0,0]=4 13370 B12R0.74 CCCC(=O)OCN(CC)CCC 2230a_100000226822_100000034017 [0,2,0,0,0,0|1,0,0]=3 13371 B12R0.74 CCCC(=O)OCN(CC)CCC 269982a_100000226822_100000034017 [0,2,0,0,0,0|1,0,0]=3 13372 B12R0.74 CCCC(=O)OCN(CC)CCO 2230a_100000210973_100000034017 [0,2,0,0,0,0|2,0,0]=4 13373 B12R0.74 CCCC(=O)OCN(CC)CCO 269982a_100000210973_100000034017 [0,2,0,0,0,0|2,0,0]=4 13374 B12R0.74 CCCC(C)COC(C#N)CCC 34a_100000686963_100011216630 [0,2,0,0,0,0|1,0,1]=4 13375 B12R0.74 CCCC(C)COC(C#N)CCC 7a_100000686963_100011216630 [0,2,0,0,0,0|1,0,1]=4 13376 B12R0.74 CCCC(C)COC(CC)CCC 34a_100000687864_100011216630 [0,2,0,0,0,0|1,0,1]=4 13377 B12R0.74 CCCC(C)COC(CC)CCC 7a_100000687864_100011216630 [0,2,0,0,0,0|1,0,1]=4 13378 B12R0.74 CCCC(C)COC(CC)CCC 7a_100000688023_100011219200 [0,2,0,0,0,0|1,0,1]=4 13379 B12R0.79 CCC(C)C(=O)NCC(O)COC 240690a_100000756049_100011192722 [0,2,0,0,0,0|2,0,0]=4 13380 B12R0.79 CCC(C)C(=O)NCC(O)COC 527a_100000756049_100011192722 [0,2,0,0,0,0|2,0,0]=4 13381 B12R0.79 CCC(O)C(=O)NCC(O)COC 240690a_100000756049_100011196387 [0,2,0,0,0,0|2,0,0]=4 13382 B12R0.79 CCCC(=O)CNC(=O)C(C)CC 1458a_100000743532_100000210303 [0,2,0,0,0,0|1,0,1]=4 13383 B12R0.79 CCCC(=O)COC(C)C(C)CC 7a_100011215189_100000747444 [0,2,0,0,0,0|2,0,0]=4 13384 B12R0.79 CCCC(=O)OCC(=O)C(C)CC 1458a_100011192722_100000034017 [0,2,0,0,0,0|0,0,1]=3 13385 B12R0.79 CCCC(=O)OCC(=O)C(C)OC 1458a_100000743197_100000034017 [0,2,0,0,0,0|1,0,1]=4 13386 B12R0.79 CCCC(=O)OCC(=O)C(C)SC 1458a_100000149566_100000034017 [0,2,0,0,0,0|1,0,1]=4 13387 B12R0.79 CCCC(=O)OCC(=O)C(O)CC 1458a_100011196387_100000034017 [0,2,0,0,0,0|0,0,1]=3 13388 B12R0.79 CCCC(=O)OCC(=O)C(O)CO 1458a_100011215603_100000034017 [0,2,0,0,0,0|1,0,1]=4 13389 B12R0.79 CCCC(=O)OCN(C)C(C)CC 2230a_100000741768_100000034017 [0,2,0,0,0,0|1,0,0]=3 13390 B12R0.79 CCCC(=O)OCN(C)C(C)CC 269982a_100000741768_100000034017 [0,2,0,0,0,0|1,0,0]=3 13391 B12R0.79 CCCC(=O)OCN(C)C(C)CO 2230a_100000693034_100000034017 [0,2,0,0,0,0|2,0,0]=4 13392 B12R0.79 CCCC(=O)OCN(C)C(C)CO 269982a_100000693034_100000034017 [0,2,0,0,0,0|2,0,0]=4 13393 B12R0.79 CCCC(C)COC(C)C(C)CC 7a_100011215189_100011216630 [0,2,0,0,0,0|1,0,1]=4 13394 B12R0.445 CCCC(=O)COC(C)(C)CCC 7a_100000748436_100000747444 [0,2,0,0,0,0|2,0,0]=4 13395 B12R0.445 CCCC(=O)NCC(C)(C)COC 11a_100000734190_100000211992 [0,2,0,0,0,0|2,0,0]=4 13396 B12R0.445 CCCC(=O)NCC(C)(C)COC 1626a_100000734190_100000211992 [0,2,0,0,0,0|2,0,0]=4 13397 B12R0.445 CCCC(=O)NCC(C)(C)COC 240690a_100000734190_100000211992 [0,2,0,0,0,0|2,0,0]=4 13398 B12R0.445 CCCC(=O)NCC(C)(C)COC 527a_100000734190_100000211992 [0,2,0,0,0,0|2,0,0]=4 13399 B12R0.445 CCCC(C)COC(C)(C)CCC 7a_100000748436_100011216630 [0,2,0,0,0,0|1,0,1]=4 13400 B12R0.445 CCCC(C)OCC(C)(C)CCC 7a_100011995695_100000766640 [0,2,0,0,0,0|1,0,1]=4 13401 B12R0.47 C#CCCCC(=O)C=CCCCC 1458a_100016266645_100000731252 [0,2,0,0,0,0|1,0,1]=4 13402 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100000690238_100000210757 [0,2,0,0,0,0|1,0,0]=3 13403 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100102632555_100000731252 [0,2,0,0,0,0|1,0,0]=3 13404 B12R0.47 C#CCCCC(=O)CCCCCF 1458a_100000690238_100000729378 [0,2,0,0,0,0|2,0,0]=4 13405 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100000690238_100000746330 [0,2,0,0,0,0|2,0,0]=4 13406 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100102619762_100000731252 [0,2,0,0,0,0|2,0,0]=4 13407 B12R0.47 C#CCCCC(=O)CCCCOC 1458a_100000690238_100000755781 [0,2,0,0,0,0|2,0,0]=4 13408 B12R0.47 C#CCCCC(=O)CCCOCC 1458a_100000690238_100012232248 [0,2,0,0,0,0|2,0,0]=4 13409 B12R0.47 C#CCCCC(=O)CCOCCC 1458a_100000690238_100011215938 [0,2,0,0,0,0|2,0,0]=4 13410 B12R0.47 C#CCCCC(=O)COCCCC 1458a_100000690238_100011995733 [0,2,0,0,0,0|2,0,0]=4 13411 B12R0.47 C#CCCCC(=O)COCCCC 1458a_100000757543_100000731252 [0,2,0,0,0,0|2,0,0]=4 13412 B12R0.47 C#CCCCC(=O)CSCCCC 1458a_100000191162_100000731252 [0,2,0,0,0,0|2,0,0]=4 13413 B12R0.47 C#CCCCC(=O)NCCCCC 11a_100000209983_100000690238 [0,2,0,0,0,0|1,0,0]=3 13414 B12R0.47 C#CCCCC(=O)NCCCCC 1626a_100000209983_100000690238 [0,2,0,0,0,0|1,0,0]=3 13415 B12R0.47 C#CCCCC(=O)NCCCCC 240690a_100000209983_100000690238 [0,2,0,0,0,0|1,0,0]=3 13416 B12R0.47 C#CCCCC(=O)NCCCCC 527a_100000209983_100000690238 [0,2,0,0,0,0|1,0,0]=3 13417 B12R0.47 C#CCCCC(=O)NCCCCO 240690a_100000750430_100000690238 [0,2,0,0,0,0|2,0,0]=4 13418 B12R0.47 C#CCCCC(=O)NCCCCO 527a_100000750430_100000690238 [0,2,0,0,0,0|2,0,0]=4 13419 B12R0.47 C#CCCCC(=O)NCCCOC 1626a_100150723488_100000690238 [0,2,0,0,0,0|2,0,0]=4 13420 B12R0.47 C#CCCCC(=O)NCCCOC 240690a_100150723488_100000690238 [0,2,0,0,0,0|2,0,0]=4 13421 B12R0.47 C#CCCCC(=O)NCCCOC 527a_100150723488_100000690238 [0,2,0,0,0,0|2,0,0]=4 13422 B12R0.47 C#CCCCC(=O)NCCCSC 11a_100000749238_100000690238 [0,2,0,0,0,0|2,0,0]=4 13423 B12R0.47 C#CCCCC(=O)NCCCSC 1626a_100000749238_100000690238 [0,2,0,0,0,0|2,0,0]=4 13424 B12R0.47 C#CCCCC(=O)NCCCSC 240690a_100000749238_100000690238 [0,2,0,0,0,0|2,0,0]=4 13425 B12R0.47 C#CCCCC(=O)NCCCSC 527a_100000749238_100000690238 [0,2,0,0,0,0|2,0,0]=4 13426 B12R0.47 C#CCCCC(=O)NCCOCC 11a_100011200944_100000690238 [0,2,0,0,0,0|2,0,0]=4 13427 B12R0.47 C#CCCCC(=O)NCCOCC 1626a_102516460346_100000690238 [0,2,0,0,0,0|2,0,0]=4 13428 B12R0.47 C#CCCCC(=O)NCCOCC 240690a_100011200944_100000690238 [0,2,0,0,0,0|2,0,0]=4 13429 B12R0.47 C#CCCCC(=O)NCCOCC 527a_100011200944_100000690238 [0,2,0,0,0,0|2,0,0]=4 13430 B12R0.47 C#CCCCC(=O)NCCSCC 11a_100000106463_100000690238 [0,2,0,0,0,0|2,0,0]=4 13431 B12R0.47 C#CCCCC(=O)NCCSCC 1626a_100000106463_100000690238 [0,2,0,0,0,0|2,0,0]=4 13432 B12R0.47 C#CCCCC(=O)NCCSCC 240690a_100000106463_100000690238 [0,2,0,0,0,0|2,0,0]=4 13433 B12R0.47 C#CCCCC(=O)NCCSCC 527a_100000106463_100000690238 [0,2,0,0,0,0|2,0,0]=4 13434 B12R0.47 C#CCCCC(=O)NNCCCC 22a_100025702795_100000690238 [0,2,0,0,0,0|2,0,0]=4 13435 B12R0.47 C#CCCNC(=O)CCCCCC 11a_100000755551_100102632555 [0,2,0,0,0,0|1,0,1]=4 13436 B12R0.47 C#CCCNC(=O)CCCCCC 1626a_100000755551_100102632555 [0,2,0,0,0,0|1,0,1]=4 13437 B12R0.47 C#CCCNC(=O)CCCCCC 240690a_100000755551_100102632555 [0,2,0,0,0,0|1,0,1]=4 13438 B12R0.47 C#CCCNC(=O)CCCCCC 527a_100000755551_100102632555 [0,2,0,0,0,0|1,0,1]=4 13439 B12R0.47 C#CCCNC(=O)NCCCCC 2708a_100000209983_100000755551 [0,2,0,0,0,0|1,0,1]=4 13440 B12R0.47 C#CCCNC(=O)NCCCCC 2708a_100000755551_100000209983 [0,2,0,0,0,0|1,0,1]=4 13441 B12R0.47 C#CCCNC(=O)NCCCCC 273464a_100000209983_100000755551 [0,2,0,0,0,0|1,0,1]=4 13442 B12R0.47 C#CCCNC(=O)NCCCCC 273464a_100000755551_100000209983 [0,2,0,0,0,0|1,0,1]=4 13443 B12R0.47 C#CCCNC(=O)NCCCCC 512a_100000209983_100000755551 [0,2,0,0,0,0|1,0,1]=4 13444 B12R0.47 C#CCCNC(=O)NCCCCC 512a_100000755551_100000209983 [0,2,0,0,0,0|1,0,1]=4 13445 B12R0.47 C#CCNCC(=O)NCCCCC 34a_100000212058_100000230301 [0,2,0,0,0,0|1,0,1]=4 13446 B12R0.47 C#CCNCC(=O)OCCOCC 34a_100000212058_200000101388 [0,2,0,0,0,0|1,0,1]=4 13447 B12R0.47 C#CCOCC(=O)CCCCCC 1458a_100011251226_100000210757 [0,2,0,0,0,0|1,0,1]=4 13448 B12R0.47 C#CCOCC(=O)NCCCCC 11a_100000209983_100011251226 [0,2,0,0,0,0|1,0,1]=4 13449 B12R0.47 C#CCOCC(=O)NCCCCC 1626a_100000209983_100011251226 [0,2,0,0,0,0|1,0,1]=4 13450 B12R0.47 C#CCOCC(=O)NCCCCC 34a_100000210247_100000230301 [0,2,0,0,0,0|1,0,1]=4 13451 B12R0.47 C#CCOCC(=O)NCCCCC 527a_100000209983_100011251226 [0,2,0,0,0,0|1,0,1]=4 13452 B12R0.47 C#CCOCC(=O)OCCOCC 34a_100000210247_200000101388 [0,2,0,0,0,0|1,0,1]=4 13453 B12R0.47 C#CCSCC(=O)NCCCCC 62a_100000038162_100000230301 [0,2,0,0,0,0|1,0,1]=4 13454 B12R0.47 C#CCSCC(=O)OCCOCC 62a_100000038162_200000101388 [0,2,0,0,0,0|1,0,1]=4 13455 B12R0.47 C=CCCCC(=O)C=CCCCC 1458a_100016266645_100000757094 [0,2,0,0,0,0|1,0,1]=4 13456 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [0,2,0,0,0,0|1,0,0]=3 13457 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [0,2,0,0,0,0|1,0,0]=3 13458 B12R0.47 C=CCCCC(=O)CCCCCF 1458a_100000766728_100000729378 [0,2,0,0,0,0|2,0,0]=4 13459 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100000766728_100000746330 [0,2,0,0,0,0|2,0,0]=4 13460 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100102619762_100000757094 [0,2,0,0,0,0|2,0,0]=4 13461 B12R0.47 C=CCCCC(=O)CCCCOC 1458a_100000766728_100000755781 [0,2,0,0,0,0|2,0,0]=4 13462 B12R0.47 C=CCCCC(=O)CCCOCC 1458a_100000766728_100012232248 [0,2,0,0,0,0|2,0,0]=4 13463 B12R0.47 C=CCCCC(=O)CCOCCC 1458a_100000766728_100011215938 [0,2,0,0,0,0|2,0,0]=4 13464 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000757543_100000757094 [0,2,0,0,0,0|2,0,0]=4 13465 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000766728_100011995733 [0,2,0,0,0,0|2,0,0]=4 13466 B12R0.47 C=CCCCC(=O)CSCCCC 1458a_100000191162_100000757094 [0,2,0,0,0,0|2,0,0]=4 13467 B12R0.47 C=CCCCC(=O)NCCCCC 11a_100000209983_100000766728 [0,2,0,0,0,0|1,0,0]=3 13468 B12R0.47 C=CCCCC(=O)NCCCCC 1626a_100000209983_100000766728 [0,2,0,0,0,0|1,0,0]=3 13469 B12R0.47 C=CCCCC(=O)NCCCCC 240690a_100000209983_100000766728 [0,2,0,0,0,0|1,0,0]=3 13470 B12R0.47 C=CCCCC(=O)NCCCCC 527a_100000209983_100000766728 [0,2,0,0,0,0|1,0,0]=3 13471 B12R0.47 C=CCCCC(=O)NCCCCO 240690a_100000750430_100000766728 [0,2,0,0,0,0|2,0,0]=4 13472 B12R0.47 C=CCCCC(=O)NCCCCO 527a_100000750430_100000766728 [0,2,0,0,0,0|2,0,0]=4 13473 B12R0.47 C=CCCCC(=O)NCCCOC 1626a_100150723488_100000766728 [0,2,0,0,0,0|2,0,0]=4 13474 B12R0.47 C=CCCCC(=O)NCCCOC 240690a_100150723488_100000766728 [0,2,0,0,0,0|2,0,0]=4 13475 B12R0.47 C=CCCCC(=O)NCCCOC 527a_100150723488_100000766728 [0,2,0,0,0,0|2,0,0]=4 13476 B12R0.47 C=CCCCC(=O)NCCCSC 11a_100000749238_100000766728 [0,2,0,0,0,0|2,0,0]=4 13477 B12R0.47 C=CCCCC(=O)NCCCSC 1626a_100000749238_100000766728 [0,2,0,0,0,0|2,0,0]=4 13478 B12R0.47 C=CCCCC(=O)NCCCSC 240690a_100000749238_100000766728 [0,2,0,0,0,0|2,0,0]=4 13479 B12R0.47 C=CCCCC(=O)NCCCSC 527a_100000749238_100000766728 [0,2,0,0,0,0|2,0,0]=4 13480 B12R0.47 C=CCCCC(=O)NCCOCC 11a_100011200944_100000766728 [0,2,0,0,0,0|2,0,0]=4 13481 B12R0.47 C=CCCCC(=O)NCCOCC 1626a_102516460346_100000766728 [0,2,0,0,0,0|2,0,0]=4 13482 B12R0.47 C=CCCCC(=O)NCCOCC 240690a_100011200944_100000766728 [0,2,0,0,0,0|2,0,0]=4 13483 B12R0.47 C=CCCCC(=O)NCCOCC 527a_100011200944_100000766728 [0,2,0,0,0,0|2,0,0]=4 13484 B12R0.47 C=CCCCC(=O)NCCSCC 11a_100000106463_100000766728 [0,2,0,0,0,0|2,0,0]=4 13485 B12R0.47 C=CCCCC(=O)NCCSCC 1626a_100000106463_100000766728 [0,2,0,0,0,0|2,0,0]=4 13486 B12R0.47 C=CCCCC(=O)NCCSCC 240690a_100000106463_100000766728 [0,2,0,0,0,0|2,0,0]=4 13487 B12R0.47 C=CCCCC(=O)NCCSCC 527a_100000106463_100000766728 [0,2,0,0,0,0|2,0,0]=4 13488 B12R0.47 C=CCCCC(=O)NNCCCC 22a_100025702795_100000766728 [0,2,0,0,0,0|2,0,0]=4 13489 B12R0.47 C=CCCNC(=O)CCCCCC 11a_100015191253_100102632555 [0,2,0,0,0,0|1,0,1]=4 13490 B12R0.47 C=CCCNC(=O)CCCCCC 1626a_100015191253_100102632555 [0,2,0,0,0,0|1,0,1]=4 13491 B12R0.47 C=CCCNC(=O)CCCCCC 240690a_100015191253_100102632555 [0,2,0,0,0,0|1,0,1]=4 13492 B12R0.47 C=CCCNC(=O)CCCCCC 527a_100015191253_100102632555 [0,2,0,0,0,0|1,0,1]=4 13493 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100000209983_100015191253 [0,2,0,0,0,0|1,0,1]=4 13494 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100015191253_100000209983 [0,2,0,0,0,0|1,0,1]=4 13495 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100000209983_100015191253 [0,2,0,0,0,0|1,0,1]=4 13496 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100015191253_100000209983 [0,2,0,0,0,0|1,0,1]=4 13497 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100000209983_100015191253 [0,2,0,0,0,0|1,0,1]=4 13498 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100015191253_100000209983 [0,2,0,0,0,0|1,0,1]=4 13499 B12R0.47 C=CCNCC(=O)NCCCCC 2230a_100020586998_100000230301 [0,2,0,0,0,0|1,0,1]=4 13500 B12R0.47 C=CCNCC(=O)OCCOCC 2230a_100020586998_200000101388 [0,2,0,0,0,0|1,0,1]=4 13501 B12R0.47 C=CCOCC(=O)NCCCCC 34a_200000210373_100000230301 [0,2,0,0,0,0|1,0,1]=4 13502 B12R0.47 C=CCOCC(=O)OCCOCC 34a_200000210373_200000101388 [0,2,0,0,0,0|1,0,1]=4 13503 B12R0.47 C=CCSCC(=O)CCCCCC 1458a_100000230395_100000210757 [0,2,0,0,0,0|1,0,1]=4 13504 B12R0.47 C=CCSCC(=O)NCCCCC 11a_100000209983_100000230395 [0,2,0,0,0,0|1,0,1]=4 13505 B12R0.47 C=CCSCC(=O)NCCCCC 1626a_100000209983_100000230395 [0,2,0,0,0,0|1,0,1]=4 13506 B12R0.47 C=CCSCC(=O)NCCCCC 240690a_100000209983_100000230395 [0,2,0,0,0,0|1,0,1]=4 13507 B12R0.47 C=CCSCC(=O)NCCCCC 527a_100000209983_100000230395 [0,2,0,0,0,0|1,0,1]=4 13508 B12R0.47 C=CCSCC(=O)NCCCCC 62a_100000210623_100000230301 [0,2,0,0,0,0|1,0,1]=4 13509 B12R0.47 C=CCSCC(=O)NCCCCC 62a_100000230301_100000210623 [0,2,0,0,0,0|1,0,1]=4 13510 B12R0.47 C=CCSCC(=O)OCCOCC 62a_100000210623_200000101388 [0,2,0,0,0,0|1,0,1]=4 13511 B12R0.47 C=CCSCC(=O)OCCOCC 62a_200000101388_100000210623 [0,2,0,0,0,0|1,0,1]=4 13512 B12R0.47 C=COCCC(=O)CCCCCC 1458a_100102632555_100000039644 [0,2,0,0,0,0|1,0,1]=4 13513 B12R0.47 CC#CCNC(=O)CCCCCC 11a_100000685387_100102632555 [0,2,0,0,0,0|1,0,1]=4 13514 B12R0.47 CC#CCNC(=O)CCCCCC 1626a_100000685387_100102632555 [0,2,0,0,0,0|1,0,1]=4 13515 B12R0.47 CC#CCNC(=O)CCCCCC 527a_100000685387_100102632555 [0,2,0,0,0,0|1,0,1]=4 13516 B12R0.47 CC#CCNC(=O)NCCCCC 2708a_100000209983_100000685387 [0,2,0,0,0,0|1,0,1]=4 13517 B12R0.47 CC#CCNC(=O)NCCCCC 273464a_100000209983_100000685387 [0,2,0,0,0,0|1,0,1]=4 13518 B12R0.47 CC#CCNC(=O)NCCCCC 273464a_100000685387_100000209983 [0,2,0,0,0,0|1,0,1]=4 13519 B12R0.47 CC#CCNC(=O)NCCCCC 512a_100000209983_100000685387 [0,2,0,0,0,0|1,0,1]=4 13520 B12R0.47 CC#CCNC(=O)NCCCCC 512a_100000685387_100000209983 [0,2,0,0,0,0|1,0,1]=4 13521 B12R0.47 CC/C=C/CC(=O)CCCCCC 1458a_100016274230_100000210757 [0,2,0,0,0,0|1,0,0]=3 13522 B12R0.47 CC/C=C/CC(=O)CCCCCF 1458a_100016274230_100000729378 [0,2,0,0,0,0|2,0,0]=4 13523 B12R0.47 CC/C=C/CC(=O)CCCCCO 1458a_100016274230_100000746330 [0,2,0,0,0,0|2,0,0]=4 13524 B12R0.47 CC/C=C/CC(=O)CCCCOC 1458a_100016274230_100000755781 [0,2,0,0,0,0|2,0,0]=4 13525 B12R0.47 CC/C=C/CC(=O)CCCOCC 1458a_100016274230_100012232248 [0,2,0,0,0,0|2,0,0]=4 13526 B12R0.47 CC/C=C/CC(=O)CCOCCC 1458a_100016274230_100011215938 [0,2,0,0,0,0|2,0,0]=4 13527 B12R0.47 CC/C=C/CC(=O)COCCCC 1458a_100016274230_100011995733 [0,2,0,0,0,0|2,0,0]=4 13528 B12R0.47 CC/C=C/CC(=O)NCCCCC 11a_100000209983_100016274230 [0,2,0,0,0,0|1,0,0]=3 13529 B12R0.47 CC/C=C/CC(=O)NCCCCC 1626a_100000209983_100016274230 [0,2,0,0,0,0|1,0,0]=3 13530 B12R0.47 CC/C=C/CC(=O)NCCCCC 240690a_100000209983_100016274230 [0,2,0,0,0,0|1,0,0]=3 13531 B12R0.47 CC/C=C/CC(=O)NCCCCC 527a_100000209983_100016274230 [0,2,0,0,0,0|1,0,0]=3 13532 B12R0.47 CC/C=C/CC(=O)NCCCCO 240690a_100000750430_100016274230 [0,2,0,0,0,0|2,0,0]=4 13533 B12R0.47 CC/C=C/CC(=O)NCCCCO 527a_100000750430_100016274230 [0,2,0,0,0,0|2,0,0]=4 13534 B12R0.47 CC/C=C/CC(=O)NCCCOC 1626a_100150723488_100016274230 [0,2,0,0,0,0|2,0,0]=4 13535 B12R0.47 CC/C=C/CC(=O)NCCCOC 240690a_100150723488_100016274230 [0,2,0,0,0,0|2,0,0]=4 13536 B12R0.47 CC/C=C/CC(=O)NCCCOC 527a_100150723488_100016274230 [0,2,0,0,0,0|2,0,0]=4 13537 B12R0.47 CC/C=C/CC(=O)NCCCSC 11a_100000749238_100016274230 [0,2,0,0,0,0|2,0,0]=4 13538 B12R0.47 CC/C=C/CC(=O)NCCCSC 1626a_100000749238_100016274230 [0,2,0,0,0,0|2,0,0]=4 13539 B12R0.47 CC/C=C/CC(=O)NCCCSC 240690a_100000749238_100016274230 [0,2,0,0,0,0|2,0,0]=4 13540 B12R0.47 CC/C=C/CC(=O)NCCCSC 527a_100000749238_100016274230 [0,2,0,0,0,0|2,0,0]=4 13541 B12R0.47 CC/C=C/CC(=O)NCCOCC 11a_100011200944_100016274230 [0,2,0,0,0,0|2,0,0]=4 13542 B12R0.47 CC/C=C/CC(=O)NCCOCC 1626a_102516460346_100016274230 [0,2,0,0,0,0|2,0,0]=4 13543 B12R0.47 CC/C=C/CC(=O)NCCOCC 240690a_100011200944_100016274230 [0,2,0,0,0,0|2,0,0]=4 13544 B12R0.47 CC/C=C/CC(=O)NCCOCC 527a_100011200944_100016274230 [0,2,0,0,0,0|2,0,0]=4 13545 B12R0.47 CC/C=C/CC(=O)NCCSCC 11a_100000106463_100016274230 [0,2,0,0,0,0|2,0,0]=4 13546 B12R0.47 CC/C=C/CC(=O)NCCSCC 1626a_100000106463_100016274230 [0,2,0,0,0,0|2,0,0]=4 13547 B12R0.47 CC/C=C/CC(=O)NCCSCC 240690a_100000106463_100016274230 [0,2,0,0,0,0|2,0,0]=4 13548 B12R0.47 CC/C=C/CC(=O)NCCSCC 527a_100000106463_100016274230 [0,2,0,0,0,0|2,0,0]=4 13549 B12R0.47 CC/C=C/CC(=O)NNCCCC 22a_100025702795_100016274230 [0,2,0,0,0,0|2,0,0]=4 13550 B12R0.47 CC/C=C\CC(=O)C=CCCCC 1458a_100016266645_100103147603 [0,2,0,0,0,0|1,0,1]=4 13551 B12R0.47 CC/C=C\CC(=O)CCCCCC 1458a_100102632555_100103147603 [0,2,0,0,0,0|1,0,0]=3 13552 B12R0.47 CC/C=C\CC(=O)CCCCCO 1458a_100102619762_100103147603 [0,2,0,0,0,0|2,0,0]=4 13553 B12R0.47 CC/C=C\CC(=O)COCCCC 1458a_100000757543_100103147603 [0,2,0,0,0,0|2,0,0]=4 13554 B12R0.47 CC/C=C\CC(=O)CSCCCC 1458a_100000191162_100103147603 [0,2,0,0,0,0|2,0,0]=4 13555 B12R0.47 CCC#CCC(=O)C=CCCCC 1458a_100016266645_100009813939 [0,2,0,0,0,0|1,0,1]=4 13556 B12R0.47 CCC#CCC(=O)CCCCCC 1458a_100102632555_100009813939 [0,2,0,0,0,0|1,0,0]=3 13557 B12R0.47 CCC#CCC(=O)CCCCCO 1458a_100102619762_100009813939 [0,2,0,0,0,0|2,0,0]=4 13558 B12R0.47 CCC#CCC(=O)COCCCC 1458a_100000757543_100009813939 [0,2,0,0,0,0|2,0,0]=4 13559 B12R0.47 CCC#CCC(=O)CSCCCC 1458a_100000191162_100009813939 [0,2,0,0,0,0|2,0,0]=4 13560 B12R0.47 CCC#CCC(C)OCCCCC 34a_200000035118_100000718602 [0,2,0,0,0,0|1,0,1]=4 13561 B12R0.47 CCC#CCC(C)OCCCCC 7a_200000035118_100000210326 [0,2,0,0,0,0|1,0,1]=4 13562 B12R0.47 CCC=NNC(=O)CCCCCC 4a_100011221127_100000210100 [0,2,0,0,0,0|1,0,1]=4 13563 B12R0.47 CCCC#CC(=O)CCCCCC 1458a_200011218047_100000210757 [0,2,0,0,0,0|1,0,0]=3 13564 B12R0.47 CCCC#CC(=O)CCCCCF 1458a_200011218047_100000729378 [0,2,0,0,0,0|2,0,0]=4 13565 B12R0.47 CCCC#CC(=O)CCCCCO 1458a_200011218047_100000746330 [0,2,0,0,0,0|2,0,0]=4 13566 B12R0.47 CCCC#CC(=O)CCCCOC 1458a_200011218047_100000755781 [0,2,0,0,0,0|2,0,0]=4 13567 B12R0.47 CCCC#CC(=O)CCCOCC 1458a_200011218047_100012232248 [0,2,0,0,0,0|2,0,0]=4 13568 B12R0.47 CCCC#CC(=O)CCOCCC 1458a_200011218047_100011215938 [0,2,0,0,0,0|2,0,0]=4 13569 B12R0.47 CCCC#CC(=O)COCCCC 1458a_200011218047_100011995733 [0,2,0,0,0,0|2,0,0]=4 13570 B12R0.47 CCCC#CC(=O)NCCCCC 240690a_100000209983_200011218047 [0,2,0,0,0,0|1,0,0]=3 13571 B12R0.47 CCCC#CC(=O)NCCCCO 240690a_100000750430_200011218047 [0,2,0,0,0,0|2,0,0]=4 13572 B12R0.47 CCCC#CC(=O)NCCCOC 240690a_100150723488_200011218047 [0,2,0,0,0,0|2,0,0]=4 13573 B12R0.47 CCCC#CC(=O)NCCCSC 240690a_100000749238_200011218047 [0,2,0,0,0,0|2,0,0]=4 13574 B12R0.47 CCCC#CC(=O)NCCOCC 240690a_100011200944_200011218047 [0,2,0,0,0,0|2,0,0]=4 13575 B12R0.47 CCCC#CC(=O)NCCSCC 240690a_100000106463_200011218047 [0,2,0,0,0,0|2,0,0]=4 13576 B12R0.47 CCCC#CC(=O)NNCCCC 22a_100025702795_200011218047 [0,2,0,0,0,0|2,0,0]=4 13577 B12R0.47 CCCC=CC(=O)CCCCCC 1458a_100000212230_100000210757 [0,2,0,0,0,0|1,0,0]=3 13578 B12R0.47 CCCC=CC(=O)CCCCCF 1458a_100000212230_100000729378 [0,2,0,0,0,0|2,0,0]=4 13579 B12R0.47 CCCC=CC(=O)CCCCCO 1458a_100000212230_100000746330 [0,2,0,0,0,0|2,0,0]=4 13580 B12R0.47 CCCC=CC(=O)CCCCOC 1458a_100000212230_100000755781 [0,2,0,0,0,0|2,0,0]=4 13581 B12R0.47 CCCC=CC(=O)CCCOCC 1458a_100000212230_100012232248 [0,2,0,0,0,0|2,0,0]=4 13582 B12R0.47 CCCC=CC(=O)CCOCCC 1458a_100000212230_100011215938 [0,2,0,0,0,0|2,0,0]=4 13583 B12R0.47 CCCC=CC(=O)COCCCC 1458a_100000212230_100011995733 [0,2,0,0,0,0|2,0,0]=4 13584 B12R0.47 CCCC=CC(=O)NCCCCC 11a_100000209983_100000212230 [0,2,0,0,0,0|1,0,0]=3 13585 B12R0.47 CCCC=CC(=O)NCCCCC 1626a_100000209983_100000212230 [0,2,0,0,0,0|1,0,0]=3 13586 B12R0.47 CCCC=CC(=O)NCCCCC 240690a_100000209983_100000212230 [0,2,0,0,0,0|1,0,0]=3 13587 B12R0.47 CCCC=CC(=O)NCCCCO 240690a_100000750430_100000212230 [0,2,0,0,0,0|2,0,0]=4 13588 B12R0.47 CCCC=CC(=O)NCCCOC 1626a_100150723488_100000212230 [0,2,0,0,0,0|2,0,0]=4 13589 B12R0.47 CCCC=CC(=O)NCCCOC 240690a_100150723488_100000212230 [0,2,0,0,0,0|2,0,0]=4 13590 B12R0.47 CCCC=CC(=O)NCCCSC 11a_100000749238_100000212230 [0,2,0,0,0,0|2,0,0]=4 13591 B12R0.47 CCCC=CC(=O)NCCCSC 1626a_100000749238_100000212230 [0,2,0,0,0,0|2,0,0]=4 13592 B12R0.47 CCCC=CC(=O)NCCCSC 240690a_100000749238_100000212230 [0,2,0,0,0,0|2,0,0]=4 13593 B12R0.47 CCCC=CC(=O)NCCOCC 11a_100011200944_100000212230 [0,2,0,0,0,0|2,0,0]=4 13594 B12R0.47 CCCC=CC(=O)NCCOCC 1626a_102516460346_100000212230 [0,2,0,0,0,0|2,0,0]=4 13595 B12R0.47 CCCC=CC(=O)NCCOCC 240690a_100011200944_100000212230 [0,2,0,0,0,0|2,0,0]=4 13596 B12R0.47 CCCC=CC(=O)NCCSCC 11a_100000106463_100000212230 [0,2,0,0,0,0|2,0,0]=4 13597 B12R0.47 CCCC=CC(=O)NCCSCC 1626a_100000106463_100000212230 [0,2,0,0,0,0|2,0,0]=4 13598 B12R0.47 CCCC=CC(=O)NCCSCC 240690a_100000106463_100000212230 [0,2,0,0,0,0|2,0,0]=4 13599 B12R0.47 CCCC=CC(=O)NNCCCC 22a_100025702795_100000212230 [0,2,0,0,0,0|2,0,0]=4 13600 B12R0.47 CCCCC=CC(=O)CCCC#N 1458a_100016266645_100000211468 [0,2,0,0,0,0|1,0,1]=4 13601 B12R0.47 CCCCC=CC(=O)CCCCC 1458a_100016266645_100000210326 [0,2,0,0,0,0|1,0,1]=4 13602 B12R0.47 CCCCC=CC(=O)CCCCF 1458a_100016266645_100000729493 [0,2,0,0,0,0|1,0,1]=4 13603 B12R0.47 CCCCC=CC(=O)CCCCO 1458a_100016266645_100000210776 [0,2,0,0,0,0|1,0,1]=4 13604 B12R0.47 CCCCC=CC(=O)CCCOC 1458a_100016266645_100000740836 [0,2,0,0,0,0|1,0,1]=4 13605 B12R0.47 CCCCC=CC(=O)CCOCC 1458a_100016266645_100011215890 [0,2,0,0,0,0|1,0,1]=4 13606 B12R0.47 CCCCC=CC(=O)CCSCC 1458a_100016266645_100000757381 [0,2,0,0,0,0|1,0,1]=4 13607 B12R0.47 CCCCC=CC(=O)NCCCC 11a_100000102301_100016266645 [0,2,0,0,0,0|1,0,1]=4 13608 B12R0.47 CCCCC=CC(=O)NCCCC 1626a_100000102301_100016266645 [0,2,0,0,0,0|1,0,1]=4 13609 B12R0.47 CCCCC=CC(=O)NCCCC 240690a_100000102301_100016266645 [0,2,0,0,0,0|1,0,1]=4 13610 B12R0.47 CCCCC=CC(=O)NCCCF 11a_100015189416_100016266645 [0,2,0,0,0,0|1,0,1]=4 13611 B12R0.47 CCCCC=CC(=O)NCCCF 1626a_100015189416_100016266645 [0,2,0,0,0,0|1,0,1]=4 13612 B12R0.47 CCCCC=CC(=O)NCCCF 240690a_100015189416_100016266645 [0,2,0,0,0,0|1,0,1]=4 13613 B12R0.47 CCCCC=CC(=O)NCCCO 240690a_100000182051_100016266645 [0,2,0,0,0,0|1,0,1]=4 13614 B12R0.47 CCCCC=CC(=O)NCCOC 1626a_100000209980_100016266645 [0,2,0,0,0,0|1,0,1]=4 13615 B12R0.47 CCCCC=CC(=O)NCCOC 240690a_100000209980_100016266645 [0,2,0,0,0,0|1,0,1]=4 13616 B12R0.47 CCCCC=CC(=O)NCCSC 11a_100020590264_100016266645 [0,2,0,0,0,0|1,0,1]=4 13617 B12R0.47 CCCCC=CC(=O)NCCSC 1626a_100020590264_100016266645 [0,2,0,0,0,0|1,0,1]=4 13618 B12R0.47 CCCCC=CC(=O)NCCSC 240690a_100020590264_100016266645 [0,2,0,0,0,0|1,0,1]=4 13619 B12R0.47 CCCCC=CC(=O)NNCCC 22a_100000740057_100016266645 [0,2,0,0,0,0|1,0,1]=4 13620 B12R0.47 CCCCCC(=O)CCCCCF 1458a_100000212188_100000729378 [0,2,0,0,0,0|2,0,0]=4 13621 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [0,2,0,0,0,0|2,0,0]=4 13622 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [0,2,0,0,0,0|2,0,0]=4 13623 B12R0.47 CCCCCC(=O)CCCCOC 1458a_100000212188_100000755781 [0,2,0,0,0,0|2,0,0]=4 13624 B12R0.47 CCCCCC(=O)CCCOCC 1458a_100000212188_100012232248 [0,2,0,0,0,0|2,0,0]=4 13625 B12R0.47 CCCCCC(=O)CCOCCC 1458a_100000212188_100011215938 [0,2,0,0,0,0|2,0,0]=4 13626 B12R0.47 CCCCCC(=O)CNCCCC 2230a_100000102301_200012276598 [0,2,0,0,0,0|2,0,0]=4 13627 B12R0.47 CCCCCC(=O)CNCCCC 7a_106832991798_200012276598 [0,2,0,0,0,0|2,0,0]=4 13628 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000212188_100011995733 [0,2,0,0,0,0|2,0,0]=4 13629 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000757543_100000210326 [0,2,0,0,0,0|2,0,0]=4 13630 B12R0.47 CCCCCC(=O)COCCCC 34a_100000210227_200012276598 [0,2,0,0,0,0|2,0,0]=4 13631 B12R0.47 CCCCCC(=O)COCCCC 7a_100000210227_200012276598 [0,2,0,0,0,0|2,0,0]=4 13632 B12R0.47 CCCCCC(=O)CSCCCC 1458a_100000191162_100000210326 [0,2,0,0,0,0|2,0,0]=4 13633 B12R0.47 CCCCCC(=O)CSCCCC 62a_100000210211_200012276598 [0,2,0,0,0,0|2,0,0]=4 13634 B12R0.47 CCCCCC(=O)CSCCCC 62a_200012276598_100000210210 [0,2,0,0,0,0|2,0,0]=4 13635 B12R0.47 CCCCCC(=O)NCCCCO 240690a_100000750430_100000212188 [0,2,0,0,0,0|2,0,0]=4 13636 B12R0.47 CCCCCC(=O)NCCCCO 527a_100000750430_100000212188 [0,2,0,0,0,0|2,0,0]=4 13637 B12R0.47 CCCCCC(=O)NCCCOC 1626a_100150723488_100000212188 [0,2,0,0,0,0|2,0,0]=4 13638 B12R0.47 CCCCCC(=O)NCCCOC 240690a_100150723488_100000212188 [0,2,0,0,0,0|2,0,0]=4 13639 B12R0.47 CCCCCC(=O)NCCCOC 527a_100150723488_100000212188 [0,2,0,0,0,0|2,0,0]=4 13640 B12R0.47 CCCCCC(=O)NCCCSC 11a_100000749238_100000212188 [0,2,0,0,0,0|2,0,0]=4 13641 B12R0.47 CCCCCC(=O)NCCCSC 1626a_100000749238_100000212188 [0,2,0,0,0,0|2,0,0]=4 13642 B12R0.47 CCCCCC(=O)NCCCSC 240690a_100000749238_100000212188 [0,2,0,0,0,0|2,0,0]=4 13643 B12R0.47 CCCCCC(=O)NCCCSC 527a_100000749238_100000212188 [0,2,0,0,0,0|2,0,0]=4 13644 B12R0.47 CCCCCC(=O)NCCOCC 11a_100011200944_100000212188 [0,2,0,0,0,0|2,0,0]=4 13645 B12R0.47 CCCCCC(=O)NCCOCC 1626a_102516460346_100000212188 [0,2,0,0,0,0|2,0,0]=4 13646 B12R0.47 CCCCCC(=O)NCCOCC 240690a_100011200944_100000212188 [0,2,0,0,0,0|2,0,0]=4 13647 B12R0.47 CCCCCC(=O)NCCOCC 527a_100011200944_100000212188 [0,2,0,0,0,0|2,0,0]=4 13648 B12R0.47 CCCCCC(=O)NCCSCC 11a_100000106463_100000212188 [0,2,0,0,0,0|2,0,0]=4 13649 B12R0.47 CCCCCC(=O)NCCSCC 1626a_100000106463_100000212188 [0,2,0,0,0,0|2,0,0]=4 13650 B12R0.47 CCCCCC(=O)NCCSCC 240690a_100000106463_100000212188 [0,2,0,0,0,0|2,0,0]=4 13651 B12R0.47 CCCCCC(=O)NCCSCC 527a_100000106463_100000212188 [0,2,0,0,0,0|2,0,0]=4 13652 B12R0.47 CCCCCC(=O)NNCCCC 22a_100025702795_100000212188 [0,2,0,0,0,0|2,0,0]=4 13653 B12R0.47 CCCCCCC(=NNCCC)C 4a_100000740057_100000210826 [0,2,0,0,0,0|2,0,0]=4 13654 B12R0.47 CCCCCCC(=O)C=CCOC 1458a_100016285016_100000210757 [0,2,0,0,0,0|1,0,1]=4 13655 B12R0.47 CCCCCCC(=O)C=COCC 1458a_100016266692_100000210757 [0,2,0,0,0,0|1,0,1]=4 13656 B12R0.47 CCCCCCC(=O)CC#CCO 1458a_100102632555_200000047223 [0,2,0,0,0,0|1,0,1]=4 13657 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100000075515_100000210757 [0,2,0,0,0,0|1,0,0]=3 13658 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100102632555_100000211468 [0,2,0,0,0,0|1,0,0]=3 13659 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [0,2,0,0,0,0|1,0,0]=3 13660 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [0,2,0,0,0,0|1,0,0]=3 13661 B12R0.47 CCCCCCC(=O)CCCCF 1458a_100102632555_100000729493 [0,2,0,0,0,0|1,0,0]=3 13662 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [0,2,0,0,0,0|1,0,0]=3 13663 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [0,2,0,0,0,0|1,0,0]=3 13664 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100000741012_100000210757 [0,2,0,0,0,0|1,0,0]=3 13665 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100102632555_100000740836 [0,2,0,0,0,0|1,0,0]=3 13666 B12R0.47 CCCCCCC(=O)CCCSC 1458a_100000173376_100000210757 [0,2,0,0,0,0|1,0,0]=3 13667 B12R0.47 CCCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210757 [0,2,0,0,0,0|2,0,0]=4 13668 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100000749530_100000210757 [0,2,0,0,0,0|1,0,0]=3 13669 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100102632555_100011215890 [0,2,0,0,0,0|1,0,0]=3 13670 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100000230768_100000210757 [0,2,0,0,0,0|1,0,0]=3 13671 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100102632555_100000757381 [0,2,0,0,0,0|1,0,0]=3 13672 B12R0.47 CCCCCCC(=O)COCCC 1458a_100000745993_100000210757 [0,2,0,0,0,0|1,0,0]=3 13673 B12R0.47 CCCCCCC(=O)COCCO 1458a_100000708028_100000210757 [0,2,0,0,0,0|1,0,0]=3 13674 B12R0.47 CCCCCCC(=O)CSCC#N 1458a_100000150266_100000210757 [0,2,0,0,0,0|1,0,1]=4 13675 B12R0.47 CCCCCCC(=O)CSCCC 1458a_100000217233_100000210757 [0,2,0,0,0,0|1,0,0]=3 13676 B12R0.47 CCCCCCC(=O)NCCC#N 11a_100000720768_100102632555 [0,2,0,0,0,0|1,0,1]=4 13677 B12R0.47 CCCCCCC(=O)NCCC#N 1626a_100000720768_100102632555 [0,2,0,0,0,0|1,0,1]=4 13678 B12R0.47 CCCCCCC(=O)NCCC#N 240690a_100000720768_100102632555 [0,2,0,0,0,0|1,0,1]=4 13679 B12R0.47 CCCCCCC(=O)NCCC#N 527a_100000720768_100102632555 [0,2,0,0,0,0|1,0,1]=4 13680 B12R0.47 CCCCCCC(=O)NCCCC 11a_100000102301_100102632555 [0,2,0,0,0,0|1,0,0]=3 13681 B12R0.47 CCCCCCC(=O)NCCCC 1626a_100000102301_100102632555 [0,2,0,0,0,0|1,0,0]=3 13682 B12R0.47 CCCCCCC(=O)NCCCC 240690a_100000102301_100102632555 [0,2,0,0,0,0|1,0,0]=3 13683 B12R0.47 CCCCCCC(=O)NCCCC 527a_100000102301_100102632555 [0,2,0,0,0,0|1,0,0]=3 13684 B12R0.47 CCCCCCC(=O)NCCCF 11a_100015189416_100102632555 [0,2,0,0,0,0|1,0,0]=3 13685 B12R0.47 CCCCCCC(=O)NCCCF 1626a_100015189416_100102632555 [0,2,0,0,0,0|1,0,0]=3 13686 B12R0.47 CCCCCCC(=O)NCCCF 240690a_100015189416_100102632555 [0,2,0,0,0,0|1,0,0]=3 13687 B12R0.47 CCCCCCC(=O)NCCCF 527a_100015189416_100102632555 [0,2,0,0,0,0|1,0,0]=3 13688 B12R0.47 CCCCCCC(=O)NCCCO 240690a_100000182051_100102632555 [0,2,0,0,0,0|1,0,0]=3 13689 B12R0.47 CCCCCCC(=O)NCCCO 527a_100000182051_100102632555 [0,2,0,0,0,0|1,0,0]=3 13690 B12R0.47 CCCCCCC(=O)NCCOC 1626a_100000209980_100102632555 [0,2,0,0,0,0|1,0,0]=3 13691 B12R0.47 CCCCCCC(=O)NCCOC 240690a_100000209980_100102632555 [0,2,0,0,0,0|1,0,0]=3 13692 B12R0.47 CCCCCCC(=O)NCCOC 527a_100000209980_100102632555 [0,2,0,0,0,0|1,0,0]=3 13693 B12R0.47 CCCCCCC(=O)NCCSC 11a_100020590264_100102632555 [0,2,0,0,0,0|1,0,0]=3 13694 B12R0.47 CCCCCCC(=O)NCCSC 1626a_100020590264_100102632555 [0,2,0,0,0,0|1,0,0]=3 13695 B12R0.47 CCCCCCC(=O)NCCSC 240690a_100020590264_100102632555 [0,2,0,0,0,0|1,0,0]=3 13696 B12R0.47 CCCCCCC(=O)NCCSC 527a_100020590264_100102632555 [0,2,0,0,0,0|1,0,0]=3 13697 B12R0.47 CCCCCCC(=O)NNCCC 22a_100000740057_100102632555 [0,2,0,0,0,0|1,0,0]=3 13698 B12R0.47 CCCCCCC(=O)NNCCO 22a_100000210001_100102632555 [0,2,0,0,0,0|2,0,0]=4 13699 B12R0.47 CCCCCNC(=O)C=CCOC 11a_100000209983_100016285016 [0,2,0,0,0,0|1,0,1]=4 13700 B12R0.47 CCCCCNC(=O)C=CCOC 1626a_100000209983_100016285016 [0,2,0,0,0,0|1,0,1]=4 13701 B12R0.47 CCCCCNC(=O)C=CCOC 240690a_100000209983_100016285016 [0,2,0,0,0,0|1,0,1]=4 13702 B12R0.47 CCCCCNC(=O)C=COCC 11a_100000209983_100016266692 [0,2,0,0,0,0|1,0,1]=4 13703 B12R0.47 CCCCCNC(=O)C=COCC 1626a_100000209983_100016266692 [0,2,0,0,0,0|1,0,1]=4 13704 B12R0.47 CCCCCNC(=O)C=COCC 240690a_100000209983_100016266692 [0,2,0,0,0,0|1,0,1]=4 13705 B12R0.47 CCCCCNC(=O)CCCC#N 11a_100000209983_100000075515 [0,2,0,0,0,0|1,0,0]=3 13706 B12R0.47 CCCCCNC(=O)CCCC#N 1626a_100000209983_100000075515 [0,2,0,0,0,0|1,0,0]=3 13707 B12R0.47 CCCCCNC(=O)CCCC#N 240690a_100000209983_100000075515 [0,2,0,0,0,0|1,0,0]=3 13708 B12R0.47 CCCCCNC(=O)CCCC#N 527a_100000209983_100000075515 [0,2,0,0,0,0|1,0,0]=3 13709 B12R0.47 CCCCCNC(=O)CCCCC 11a_100000209983_100000212188 [0,2,0,0,0,0|1,0,0]=3 13710 B12R0.47 CCCCCNC(=O)CCCCC 1626a_100000209983_100000212188 [0,2,0,0,0,0|1,0,0]=3 13711 B12R0.47 CCCCCNC(=O)CCCCC 240690a_100000209983_100000212188 [0,2,0,0,0,0|1,0,0]=3 13712 B12R0.47 CCCCCNC(=O)CCCCC 527a_100000209983_100000212188 [0,2,0,0,0,0|1,0,0]=3 13713 B12R0.47 CCCCCNC(=O)CCCCO 1626a_100000209983_100000695505 [0,2,0,0,0,0|1,0,0]=3 13714 B12R0.47 CCCCCNC(=O)CCCOC 11a_100000209983_100000741012 [0,2,0,0,0,0|1,0,0]=3 13715 B12R0.47 CCCCCNC(=O)CCCOC 1626a_100000209983_100000741012 [0,2,0,0,0,0|1,0,0]=3 13716 B12R0.47 CCCCCNC(=O)CCCOC 240690a_100000209983_100000741012 [0,2,0,0,0,0|1,0,0]=3 13717 B12R0.47 CCCCCNC(=O)CCCOC 527a_100000209983_100000741012 [0,2,0,0,0,0|1,0,0]=3 13718 B12R0.47 CCCCCNC(=O)CCCSC 11a_100000209983_100000173376 [0,2,0,0,0,0|1,0,0]=3 13719 B12R0.47 CCCCCNC(=O)CCCSC 1626a_100000209983_100000173376 [0,2,0,0,0,0|1,0,0]=3 13720 B12R0.47 CCCCCNC(=O)CCCSC 240690a_100000209983_100000173376 [0,2,0,0,0,0|1,0,0]=3 13721 B12R0.47 CCCCCNC(=O)CCCSC 527a_100000209983_100000173376 [0,2,0,0,0,0|1,0,0]=3 13722 B12R0.47 CCCCCNC(=O)CCN=[N+]=[N-] 11a_100000209983_100000688302 [0,2,0,0,0,0|2,0,0]=4 13723 B12R0.47 CCCCCNC(=O)CCN=[N+]=[N-] 240690a_100000209983_100000688302 [0,2,0,0,0,0|2,0,0]=4 13724 B12R0.47 CCCCCNC(=O)CCOCC 11a_100000209983_100000749530 [0,2,0,0,0,0|1,0,0]=3 13725 B12R0.47 CCCCCNC(=O)CCOCC 1626a_100000209983_100000749530 [0,2,0,0,0,0|1,0,0]=3 13726 B12R0.47 CCCCCNC(=O)CCOCC 240690a_100000209983_100000749530 [0,2,0,0,0,0|1,0,0]=3 13727 B12R0.47 CCCCCNC(=O)CCOCC 527a_100000209983_100000749530 [0,2,0,0,0,0|1,0,0]=3 13728 B12R0.47 CCCCCNC(=O)CCSCC 11a_100000209983_100000230768 [0,2,0,0,0,0|1,0,0]=3 13729 B12R0.47 CCCCCNC(=O)CCSCC 1626a_100000209983_100000230768 [0,2,0,0,0,0|1,0,0]=3 13730 B12R0.47 CCCCCNC(=O)CCSCC 240690a_100000209983_100000230768 [0,2,0,0,0,0|1,0,0]=3 13731 B12R0.47 CCCCCNC(=O)CCSCC 527a_100000209983_100000230768 [0,2,0,0,0,0|1,0,0]=3 13732 B12R0.47 CCCCCNC(=O)CNCCF 34a_100000724931_100000230301 [0,2,0,0,0,0|1,0,0]=3 13733 B12R0.47 CCCCCNC(=O)CNCCO 2230a_100016997473_100000230301 [0,2,0,0,0,0|1,0,0]=3 13734 B12R0.47 CCCCCNC(=O)CNCCO 34a_100016990907_100000230301 [0,2,0,0,0,0|1,0,0]=3 13735 B12R0.47 CCCCCNC(=O)COCCBr 34a_100000211926_100000230301 [0,2,0,0,0,0|1,0,0]=3 13736 B12R0.47 CCCCCNC(=O)COCCC 11a_100000209983_100000745993 [0,2,0,0,0,0|1,0,0]=3 13737 B12R0.47 CCCCCNC(=O)COCCC 1626a_100000209983_100000745993 [0,2,0,0,0,0|1,0,0]=3 13738 B12R0.47 CCCCCNC(=O)COCCC 240690a_100000209983_100000745993 [0,2,0,0,0,0|1,0,0]=3 13739 B12R0.47 CCCCCNC(=O)COCCC 34a_100000210258_100000230301 [0,2,0,0,0,0|1,0,0]=3 13740 B12R0.47 CCCCCNC(=O)COCCC 527a_100000209983_100000745993 [0,2,0,0,0,0|1,0,0]=3 13741 B12R0.47 CCCCCNC(=O)COCCN 34a_100000210304_100000230301 [0,2,0,0,0,0|1,0,0]=3 13742 B12R0.47 CCCCCNC(=O)COCCO 1626a_100000209983_100000708028 [0,2,0,0,0,0|1,0,0]=3 13743 B12R0.47 CCCCCNC(=O)COCCO 240690a_100000209983_100000708028 [0,2,0,0,0,0|1,0,0]=3 13744 B12R0.47 CCCCCNC(=O)CSCC#N 11a_100000209983_100000150266 [0,2,0,0,0,0|1,0,1]=4 13745 B12R0.47 CCCCCNC(=O)CSCC#N 1626a_100000209983_100000150266 [0,2,0,0,0,0|1,0,1]=4 13746 B12R0.47 CCCCCNC(=O)CSCC#N 240690a_100000209983_100000150266 [0,2,0,0,0,0|1,0,1]=4 13747 B12R0.47 CCCCCNC(=O)CSCC#N 62a_100000230301_100011215382 [0,2,0,0,0,0|1,0,1]=4 13748 B12R0.47 CCCCCNC(=O)CSCC#N 62a_100011215382_100000230301 [0,2,0,0,0,0|1,0,1]=4 13749 B12R0.47 CCCCCNC(=O)CSCC=O 62a_100000230301_200015260668 [0,2,0,0,0,0|1,0,1]=4 13750 B12R0.47 CCCCCNC(=O)CSCC=O 62a_200015260668_100000230301 [0,2,0,0,0,0|1,0,1]=4 13751 B12R0.47 CCCCCNC(=O)CSCCC 11a_100000209983_100000217233 [0,2,0,0,0,0|1,0,0]=3 13752 B12R0.47 CCCCCNC(=O)CSCCC 1626a_100000209983_100000217233 [0,2,0,0,0,0|1,0,0]=3 13753 B12R0.47 CCCCCNC(=O)CSCCC 240690a_100000209983_100000217233 [0,2,0,0,0,0|1,0,0]=3 13754 B12R0.47 CCCCCNC(=O)CSCCC 527a_100000209983_100000217233 [0,2,0,0,0,0|1,0,0]=3 13755 B12R0.47 CCCCCNC(=O)CSCCC 62a_100000210303_100000230301 [0,2,0,0,0,0|1,0,0]=3 13756 B12R0.47 CCCCCNC(=O)CSCCC 62a_100000230301_100000210303 [0,2,0,0,0,0|1,0,0]=3 13757 B12R0.47 CCCCCNC(=O)CSCCF 62a_100000230301_100011217306 [0,2,0,0,0,0|1,0,0]=3 13758 B12R0.47 CCCCCNC(=O)CSCCF 62a_100011217306_100000230301 [0,2,0,0,0,0|1,0,0]=3 13759 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000211926_100000230301 [0,2,0,0,0,0|1,0,0]=3 13760 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000230301_100000211926 [0,2,0,0,0,0|1,0,0]=3 13761 B12R0.47 CCCCCNC(=O)CSCOC 62a_100000230301_100000766300 [0,2,0,0,0,0|1,0,0]=3 13762 B12R0.47 CCCCCNC(=O)CSCOC 62a_100000766300_100000230301 [0,2,0,0,0,0|1,0,0]=3 13763 B12R0.47 CCCCCNC(=O)CSCSC 62a_100000230301_100011218213 [0,2,0,0,0,0|1,0,0]=3 13764 B12R0.47 CCCCCNC(=O)CSCSC 62a_100011218213_100000230301 [0,2,0,0,0,0|1,0,0]=3 13765 B12R0.47 CCCCCNC(=O)NCCC#N 2708a_100000209983_100000720768 [0,2,0,0,0,0|1,0,1]=4 13766 B12R0.47 CCCCCNC(=O)NCCC#N 2708a_100000720768_100000209983 [0,2,0,0,0,0|1,0,1]=4 13767 B12R0.47 CCCCCNC(=O)NCCC#N 273464a_100000209983_100000720768 [0,2,0,0,0,0|1,0,1]=4 13768 B12R0.47 CCCCCNC(=O)NCCC#N 273464a_100000720768_100000209983 [0,2,0,0,0,0|1,0,1]=4 13769 B12R0.47 CCCCCNC(=O)NCCC#N 512a_100000209983_100000720768 [0,2,0,0,0,0|1,0,1]=4 13770 B12R0.47 CCCCCNC(=O)NCCC#N 512a_100000720768_100000209983 [0,2,0,0,0,0|1,0,1]=4 13771 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000102301_100000209983 [0,2,0,0,0,0|1,0,0]=3 13772 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000209983_100000102301 [0,2,0,0,0,0|1,0,0]=3 13773 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000102301_100000209983 [0,2,0,0,0,0|1,0,0]=3 13774 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000209983_100000102301 [0,2,0,0,0,0|1,0,0]=3 13775 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000102301_100000209983 [0,2,0,0,0,0|1,0,0]=3 13776 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000209983_100000102301 [0,2,0,0,0,0|1,0,0]=3 13777 B12R0.47 CCCCCNC(=O)NCCCF 2708a_100000209983_100015189416 [0,2,0,0,0,0|1,0,0]=3 13778 B12R0.47 CCCCCNC(=O)NCCCF 2708a_100015189416_100000209983 [0,2,0,0,0,0|1,0,0]=3 13779 B12R0.47 CCCCCNC(=O)NCCCF 273464a_100000209983_100015189416 [0,2,0,0,0,0|1,0,0]=3 13780 B12R0.47 CCCCCNC(=O)NCCCF 273464a_100015189416_100000209983 [0,2,0,0,0,0|1,0,0]=3 13781 B12R0.47 CCCCCNC(=O)NCCCF 512a_100000209983_100015189416 [0,2,0,0,0,0|1,0,0]=3 13782 B12R0.47 CCCCCNC(=O)NCCCF 512a_100015189416_100000209983 [0,2,0,0,0,0|1,0,0]=3 13783 B12R0.47 CCCCCNC(=O)NCCCO 2708a_100000209983_100000182051 [0,2,0,0,0,0|1,0,0]=3 13784 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000182051_100000209983 [0,2,0,0,0,0|1,0,0]=3 13785 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000209983_100000182051 [0,2,0,0,0,0|1,0,0]=3 13786 B12R0.47 CCCCCNC(=O)NCCCO 512a_100000209983_100000182051 [0,2,0,0,0,0|1,0,0]=3 13787 B12R0.47 CCCCCNC(=O)NCCOC 2708a_100000209983_100000209980 [0,2,0,0,0,0|1,0,0]=3 13788 B12R0.47 CCCCCNC(=O)NCCOC 273464a_100000209980_100000209983 [0,2,0,0,0,0|1,0,0]=3 13789 B12R0.47 CCCCCNC(=O)NCCOC 273464a_100000209983_100000209980 [0,2,0,0,0,0|1,0,0]=3 13790 B12R0.47 CCCCCNC(=O)NCCSC 2708a_100000209983_100020590264 [0,2,0,0,0,0|1,0,0]=3 13791 B12R0.47 CCCCCNC(=O)NCCSC 2708a_100020590264_100000209983 [0,2,0,0,0,0|1,0,0]=3 13792 B12R0.47 CCCCCNC(=O)NCCSC 273464a_100000209983_100020590264 [0,2,0,0,0,0|1,0,0]=3 13793 B12R0.47 CCCCCNC(=O)NCCSC 273464a_100020590264_100000209983 [0,2,0,0,0,0|1,0,0]=3 13794 B12R0.47 CCCCCNC(=O)NCCSC 512a_100000209983_100020590264 [0,2,0,0,0,0|1,0,0]=3 13795 B12R0.47 CCCCCNC(=O)NCCSC 512a_100020590264_100000209983 [0,2,0,0,0,0|1,0,0]=3 13796 B12R0.47 CCCCCNC(=O)NNCCC 273464a_100000209983_100000740057 [0,2,0,0,0,0|1,0,0]=3 13797 B12R0.47 CCCCCNC(=O)NNCCC 512a_100000209983_100000740057 [0,2,0,0,0,0|1,0,0]=3 13798 B12R0.47 CCCCCNC(=O)NNCCC 512a_100000740057_100000209983 [0,2,0,0,0,0|1,0,0]=3 13799 B12R0.47 CCCCCNC(=O)NNCCO 273464a_100000209983_100000210001 [0,2,0,0,0,0|2,0,0]=4 13800 B12R0.47 CCCCCNC(=O)NNCCO 512a_100000209983_100000210001 [0,2,0,0,0,0|2,0,0]=4 13801 B12R0.47 CCCCCOC(C)CCCCC 34a_100000210253_200011218191 [0,2,0,0,0,0|1,0,1]=4 13802 B12R0.47 CCCCCOC(C)CCCCC 34a_100011215632_100000718602 [0,2,0,0,0,0|1,0,1]=4 13803 B12R0.47 CCCCCOC(C)CCCCC 7a_100000210253_200011218191 [0,2,0,0,0,0|1,0,1]=4 13804 B12R0.47 CCCCCOC(C)CCCCC 7a_100011215632_100000210326 [0,2,0,0,0,0|1,0,1]=4 13805 B12R0.47 CCCCCOC(C)CCCOC 34a_200011539412_100000718602 [0,2,0,0,0,0|1,0,1]=4 13806 B12R0.47 CCCCCOC(C)CCCOC 7a_200011539412_100000210326 [0,2,0,0,0,0|1,0,1]=4 13807 B12R0.47 CCCCNC(=O)CCCCCO 240690a_100000102301_100102619762 [0,2,0,0,0,0|2,0,0]=4 13808 B12R0.47 CCCCNC(=O)COCCCC 11a_100000102301_100000757543 [0,2,0,0,0,0|2,0,0]=4 13809 B12R0.47 CCCCNC(=O)COCCCC 1626a_100000102301_100000757543 [0,2,0,0,0,0|2,0,0]=4 13810 B12R0.47 CCCCNC(=O)COCCCC 240690a_100000102301_100000757543 [0,2,0,0,0,0|2,0,0]=4 13811 B12R0.47 CCCCNC(=O)COCCCC 34a_100000210227_100000182744 [0,2,0,0,0,0|2,0,0]=4 13812 B12R0.47 CCCCNC(=O)COCCCC 527a_100000102301_100000757543 [0,2,0,0,0,0|2,0,0]=4 13813 B12R0.47 CCCCNC(=O)COCCCC 7a_100000210227_100000182744 [0,2,0,0,0,0|2,0,0]=4 13814 B12R0.47 CCCCNC(=O)CSCCCC 11a_100000102301_100000191162 [0,2,0,0,0,0|2,0,0]=4 13815 B12R0.47 CCCCNC(=O)CSCCCC 1626a_100000102301_100000191162 [0,2,0,0,0,0|2,0,0]=4 13816 B12R0.47 CCCCNC(=O)CSCCCC 240690a_100000102301_100000191162 [0,2,0,0,0,0|2,0,0]=4 13817 B12R0.47 CCCCNC(=O)CSCCCC 527a_100000102301_100000191162 [0,2,0,0,0,0|2,0,0]=4 13818 B12R0.47 CCCCNC(=O)CSCCCC 62a_100000182744_100000210210 [0,2,0,0,0,0|2,0,0]=4 13819 B12R0.47 CCCCNC(=O)CSCCCC 62a_100000210211_100000182744 [0,2,0,0,0,0|2,0,0]=4 13820 B12R0.47 CCCCNC(=O)NCCCCO 2708a_100000102301_100000750430 [0,2,0,0,0,0|2,0,0]=4 13821 B12R0.47 CCCCNC(=O)NCCCCO 2708a_100000750430_100000102301 [0,2,0,0,0,0|2,0,0]=4 13822 B12R0.47 CCCCNC(=O)NCCCCO 273464a_100000102301_100000750430 [0,2,0,0,0,0|2,0,0]=4 13823 B12R0.47 CCCCNC(=O)NCCCCO 273464a_100000750430_100000102301 [0,2,0,0,0,0|2,0,0]=4 13824 B12R0.47 CCCCNC(=O)NCCCCO 512a_100000102301_100000750430 [0,2,0,0,0,0|2,0,0]=4 13825 B12R0.47 CCCCNC(=O)NCCCCO 512a_100000750430_100000102301 [0,2,0,0,0,0|2,0,0]=4 13826 B12R0.47 CCCCNC(=O)NCCCOC 2708a_100000102301_100150723488 [0,2,0,0,0,0|2,0,0]=4 13827 B12R0.47 CCCCNC(=O)NCCCOC 2708a_100150723488_100000102301 [0,2,0,0,0,0|2,0,0]=4 13828 B12R0.47 CCCCNC(=O)NCCCOC 273464a_100000102301_100150723488 [0,2,0,0,0,0|2,0,0]=4 13829 B12R0.47 CCCCNC(=O)NCCCOC 273464a_100150723488_100000102301 [0,2,0,0,0,0|2,0,0]=4 13830 B12R0.47 CCCCNC(=O)NCCCOC 512a_100000102301_100150723488 [0,2,0,0,0,0|2,0,0]=4 13831 B12R0.47 CCCCNC(=O)NCCCSC 2708a_100000102301_100000749238 [0,2,0,0,0,0|2,0,0]=4 13832 B12R0.47 CCCCNC(=O)NCCCSC 2708a_100000749238_100000102301 [0,2,0,0,0,0|2,0,0]=4 13833 B12R0.47 CCCCNC(=O)NCCCSC 273464a_100000102301_100000749238 [0,2,0,0,0,0|2,0,0]=4 13834 B12R0.47 CCCCNC(=O)NCCCSC 273464a_100000749238_100000102301 [0,2,0,0,0,0|2,0,0]=4 13835 B12R0.47 CCCCNC(=O)NCCCSC 512a_100000102301_100000749238 [0,2,0,0,0,0|2,0,0]=4 13836 B12R0.47 CCCCNC(=O)NCCCSC 512a_100000749238_100000102301 [0,2,0,0,0,0|2,0,0]=4 13837 B12R0.47 CCCCNC(=O)NCCOCC 2708a_100000102301_100011200944 [0,2,0,0,0,0|2,0,0]=4 13838 B12R0.47 CCCCNC(=O)NCCOCC 2708a_100011200944_100000102301 [0,2,0,0,0,0|2,0,0]=4 13839 B12R0.47 CCCCNC(=O)NCCOCC 273464a_100000102301_102516460346 [0,2,0,0,0,0|2,0,0]=4 13840 B12R0.47 CCCCNC(=O)NCCOCC 273464a_102516460346_100000102301 [0,2,0,0,0,0|2,0,0]=4 13841 B12R0.47 CCCCNC(=O)NCCOCC 512a_100000102301_100011200944 [0,2,0,0,0,0|2,0,0]=4 13842 B12R0.47 CCCCNC(=O)NCCOCC 512a_100011200944_100000102301 [0,2,0,0,0,0|2,0,0]=4 13843 B12R0.47 CCCCNC(=O)NCCSCC 2708a_100000102301_100000106463 [0,2,0,0,0,0|2,0,0]=4 13844 B12R0.47 CCCCNC(=O)NCCSCC 2708a_100000106463_100000102301 [0,2,0,0,0,0|2,0,0]=4 13845 B12R0.47 CCCCNC(=O)NCCSCC 273464a_100000102301_100000106463 [0,2,0,0,0,0|2,0,0]=4 13846 B12R0.47 CCCCNC(=O)NCCSCC 273464a_100000106463_100000102301 [0,2,0,0,0,0|2,0,0]=4 13847 B12R0.47 CCCCNC(=O)NCCSCC 512a_100000102301_100000106463 [0,2,0,0,0,0|2,0,0]=4 13848 B12R0.47 CCCCNC(=O)NCCSCC 512a_100000106463_100000102301 [0,2,0,0,0,0|2,0,0]=4 13849 B12R0.47 CCCCNCC(=O)NCCCC 2230a_100000102301_100000182744 [0,2,0,0,0,0|2,0,0]=4 13850 B12R0.47 CCCCNCC(=O)NCCCC 7a_106832991798_100000182744 [0,2,0,0,0,0|2,0,0]=4 13851 B12R0.47 CCCCNCC(=O)NCCOC 2230a_100000102301_100000183275 [0,2,0,0,0,0|2,0,0]=4 13852 B12R0.47 CCCCNCC(=O)NCCOC 2230a_100000754632_100000210211 [0,2,0,0,0,0|2,0,0]=4 13853 B12R0.47 CCCCNCC(=O)NCCOC 7a_106832991798_100000183275 [0,2,0,0,0,0|2,0,0]=4 13854 B12R0.47 CCCCNCC(=O)OCCCC 2230a_100000102301_100000211628 [0,2,0,0,0,0|2,0,0]=4 13855 B12R0.47 CCCCNCC(=O)OCCCC 7a_106832991798_100000211628 [0,2,0,0,0,0|2,0,0]=4 13856 B12R0.47 CCCCNCC(=O)OCCOC 2230a_100000102301_200000040189 [0,2,0,0,0,0|2,0,0]=4 13857 B12R0.47 CCCCNCC(=O)OCCOC 7a_106832991798_200000040189 [0,2,0,0,0,0|2,0,0]=4 13858 B12R0.47 CCCCNNC(=O)CCCC#N 22a_100025702795_100000075515 [0,2,0,0,0,0|2,0,0]=4 13859 B12R0.47 CCCCNNC(=O)CCCOC 22a_100025702795_100000741012 [0,2,0,0,0,0|2,0,0]=4 13860 B12R0.47 CCCCNNC(=O)CCCSC 22a_100025702795_100000173376 [0,2,0,0,0,0|2,0,0]=4 13861 B12R0.47 CCCCNNC(=O)CCOCC 22a_100025702795_100000749530 [0,2,0,0,0,0|2,0,0]=4 13862 B12R0.47 CCCCNNC(=O)CCSCC 22a_100025702795_100000230768 [0,2,0,0,0,0|2,0,0]=4 13863 B12R0.47 CCCCNNC(=O)COCCC 22a_100025702795_100000745993 [0,2,0,0,0,0|2,0,0]=4 13864 B12R0.47 CCCCNNC(=O)CSCCC 22a_100025702795_100000217233 [0,2,0,0,0,0|2,0,0]=4 13865 B12R0.47 CCCCNNC(=O)NCCCC 273464a_100000102301_100025702795 [0,2,0,0,0,0|2,0,0]=4 13866 B12R0.47 CCCCNNC(=O)NCCCC 512a_100000102301_100025702795 [0,2,0,0,0,0|2,0,0]=4 13867 B12R0.47 CCCCNNC(=O)NCCCC 512a_100025702795_100000102301 [0,2,0,0,0,0|2,0,0]=4 13868 B12R0.47 CCCCNNC(=O)NCCCF 273464a_100015189416_100025702795 [0,2,0,0,0,0|2,0,0]=4 13869 B12R0.47 CCCCNNC(=O)NCCCF 512a_100015189416_100025702795 [0,2,0,0,0,0|2,0,0]=4 13870 B12R0.47 CCCCNNC(=O)NCCCF 512a_100025702795_100015189416 [0,2,0,0,0,0|2,0,0]=4 13871 B12R0.47 CCCCNNC(=O)NCCCO 273464a_100000182051_100025702795 [0,2,0,0,0,0|2,0,0]=4 13872 B12R0.47 CCCCNNC(=O)NCCCO 512a_100025702795_100000182051 [0,2,0,0,0,0|2,0,0]=4 13873 B12R0.47 CCCCNNC(=O)NCCOC 273464a_100000209980_100025702795 [0,2,0,0,0,0|2,0,0]=4 13874 B12R0.47 CCCCNNC(=O)NCCSC 273464a_100020590264_100025702795 [0,2,0,0,0,0|2,0,0]=4 13875 B12R0.47 CCCCNNC(=O)NCCSC 512a_100020590264_100025702795 [0,2,0,0,0,0|2,0,0]=4 13876 B12R0.47 CCCCNNC(=O)NCCSC 512a_100025702795_100020590264 [0,2,0,0,0,0|2,0,0]=4 13877 B12R0.47 CCCCNNC(=O)NNCCC 512a_100000740057_100025702795 [0,2,0,0,0,0|2,0,0]=4 13878 B12R0.47 CCCCNNC(=O)NNCCC 512a_100025702795_100000740057 [0,2,0,0,0,0|2,0,0]=4 13879 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000210211_100000211628 [0,2,0,0,0,0|2,0,0]=4 13880 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000211628_100000210210 [0,2,0,0,0,0|2,0,0]=4 13881 B12R0.47 CCCCOCC(=O)CCCC#N 1458a_100000075515_100011995733 [0,2,0,0,0,0|2,0,0]=4 13882 B12R0.47 CCCCOCC(=O)CCCC#N 1458a_100000757543_100000211468 [0,2,0,0,0,0|2,0,0]=4 13883 B12R0.47 CCCCOCC(=O)CCCCF 1458a_100000757543_100000729493 [0,2,0,0,0,0|2,0,0]=4 13884 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000695505_100011995733 [0,2,0,0,0,0|2,0,0]=4 13885 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000757543_100000210776 [0,2,0,0,0,0|2,0,0]=4 13886 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000741012_100011995733 [0,2,0,0,0,0|2,0,0]=4 13887 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000757543_100000740836 [0,2,0,0,0,0|2,0,0]=4 13888 B12R0.47 CCCCOCC(=O)CCCSC 1458a_100000173376_100011995733 [0,2,0,0,0,0|2,0,0]=4 13889 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000749530_100011995733 [0,2,0,0,0,0|2,0,0]=4 13890 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000757543_100011215890 [0,2,0,0,0,0|2,0,0]=4 13891 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000230768_100011995733 [0,2,0,0,0,0|2,0,0]=4 13892 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000757543_100000757381 [0,2,0,0,0,0|2,0,0]=4 13893 B12R0.47 CCCCOCC(=O)COCCC 1458a_100000745993_100011995733 [0,2,0,0,0,0|2,0,0]=4 13894 B12R0.47 CCCCOCC(=O)COCCO 1458a_100000708028_100011995733 [0,2,0,0,0,0|2,0,0]=4 13895 B12R0.47 CCCCOCC(=O)CSCCC 1458a_100000217233_100011995733 [0,2,0,0,0,0|2,0,0]=4 13896 B12R0.47 CCCCOCC(=O)NCCCF 11a_100015189416_100000757543 [0,2,0,0,0,0|2,0,0]=4 13897 B12R0.47 CCCCOCC(=O)NCCCF 1626a_100015189416_100000757543 [0,2,0,0,0,0|2,0,0]=4 13898 B12R0.47 CCCCOCC(=O)NCCCF 240690a_100015189416_100000757543 [0,2,0,0,0,0|2,0,0]=4 13899 B12R0.47 CCCCOCC(=O)NCCCF 527a_100015189416_100000757543 [0,2,0,0,0,0|2,0,0]=4 13900 B12R0.47 CCCCOCC(=O)NCCCO 240690a_100000182051_100000757543 [0,2,0,0,0,0|2,0,0]=4 13901 B12R0.47 CCCCOCC(=O)NCCCO 527a_100000182051_100000757543 [0,2,0,0,0,0|2,0,0]=4 13902 B12R0.47 CCCCOCC(=O)NCCOC 1626a_100000209980_100000757543 [0,2,0,0,0,0|2,0,0]=4 13903 B12R0.47 CCCCOCC(=O)NCCOC 240690a_100000209980_100000757543 [0,2,0,0,0,0|2,0,0]=4 13904 B12R0.47 CCCCOCC(=O)NCCOC 34a_100000210227_100000183275 [0,2,0,0,0,0|2,0,0]=4 13905 B12R0.47 CCCCOCC(=O)NCCOC 527a_100000209980_100000757543 [0,2,0,0,0,0|2,0,0]=4 13906 B12R0.47 CCCCOCC(=O)NCCOC 7a_100000210227_100000183275 [0,2,0,0,0,0|2,0,0]=4 13907 B12R0.47 CCCCOCC(=O)NCCSC 11a_100020590264_100000757543 [0,2,0,0,0,0|2,0,0]=4 13908 B12R0.47 CCCCOCC(=O)NCCSC 1626a_100020590264_100000757543 [0,2,0,0,0,0|2,0,0]=4 13909 B12R0.47 CCCCOCC(=O)NCCSC 240690a_100020590264_100000757543 [0,2,0,0,0,0|2,0,0]=4 13910 B12R0.47 CCCCOCC(=O)NCCSC 527a_100020590264_100000757543 [0,2,0,0,0,0|2,0,0]=4 13911 B12R0.47 CCCCOCC(=O)NNCCC 22a_100000740057_100000757543 [0,2,0,0,0,0|2,0,0]=4 13912 B12R0.47 CCCCOCC(=O)OCCCC 34a_100000210227_100000211628 [0,2,0,0,0,0|2,0,0]=4 13913 B12R0.47 CCCCOCC(=O)OCCCC 7a_100000210227_100000211628 [0,2,0,0,0,0|2,0,0]=4 13914 B12R0.47 CCCCOCC(=O)OCCOC 34a_100000210227_200000040189 [0,2,0,0,0,0|2,0,0]=4 13915 B12R0.47 CCCCOCC(=O)OCCOC 7a_100000210227_200000040189 [0,2,0,0,0,0|2,0,0]=4 13916 B12R0.47 CCCCSCC(=O)CCCC#N 1458a_100000191162_100000211468 [0,2,0,0,0,0|2,0,0]=4 13917 B12R0.47 CCCCSCC(=O)CCCCF 1458a_100000191162_100000729493 [0,2,0,0,0,0|2,0,0]=4 13918 B12R0.47 CCCCSCC(=O)CCCCO 1458a_100000191162_100000210776 [0,2,0,0,0,0|2,0,0]=4 13919 B12R0.47 CCCCSCC(=O)CCCOC 1458a_100000191162_100000740836 [0,2,0,0,0,0|2,0,0]=4 13920 B12R0.47 CCCCSCC(=O)CCOCC 1458a_100000191162_100011215890 [0,2,0,0,0,0|2,0,0]=4 13921 B12R0.47 CCCCSCC(=O)CCSCC 1458a_100000191162_100000757381 [0,2,0,0,0,0|2,0,0]=4 13922 B12R0.47 CCCCSCC(=O)NCCCF 11a_100015189416_100000191162 [0,2,0,0,0,0|2,0,0]=4 13923 B12R0.47 CCCCSCC(=O)NCCCF 1626a_100015189416_100000191162 [0,2,0,0,0,0|2,0,0]=4 13924 B12R0.47 CCCCSCC(=O)NCCCF 240690a_100015189416_100000191162 [0,2,0,0,0,0|2,0,0]=4 13925 B12R0.47 CCCCSCC(=O)NCCCF 527a_100015189416_100000191162 [0,2,0,0,0,0|2,0,0]=4 13926 B12R0.47 CCCCSCC(=O)NCCCO 240690a_100000182051_100000191162 [0,2,0,0,0,0|2,0,0]=4 13927 B12R0.47 CCCCSCC(=O)NCCCO 527a_100000182051_100000191162 [0,2,0,0,0,0|2,0,0]=4 13928 B12R0.47 CCCCSCC(=O)NCCOC 1626a_100000209980_100000191162 [0,2,0,0,0,0|2,0,0]=4 13929 B12R0.47 CCCCSCC(=O)NCCOC 240690a_100000209980_100000191162 [0,2,0,0,0,0|2,0,0]=4 13930 B12R0.47 CCCCSCC(=O)NCCOC 527a_100000209980_100000191162 [0,2,0,0,0,0|2,0,0]=4 13931 B12R0.47 CCCCSCC(=O)NCCOC 62a_100000183275_100000210210 [0,2,0,0,0,0|2,0,0]=4 13932 B12R0.47 CCCCSCC(=O)NCCOC 62a_100000210211_100000183275 [0,2,0,0,0,0|2,0,0]=4 13933 B12R0.47 CCCCSCC(=O)NCCSC 11a_100020590264_100000191162 [0,2,0,0,0,0|2,0,0]=4 13934 B12R0.47 CCCCSCC(=O)NCCSC 1626a_100020590264_100000191162 [0,2,0,0,0,0|2,0,0]=4 13935 B12R0.47 CCCCSCC(=O)NCCSC 240690a_100020590264_100000191162 [0,2,0,0,0,0|2,0,0]=4 13936 B12R0.47 CCCCSCC(=O)NCCSC 527a_100020590264_100000191162 [0,2,0,0,0,0|2,0,0]=4 13937 B12R0.47 CCCCSCC(=O)NNCCC 22a_100000740057_100000191162 [0,2,0,0,0,0|2,0,0]=4 13938 B12R0.47 CCCCSCC(=O)OCCOC 62a_100000210211_200000040189 [0,2,0,0,0,0|2,0,0]=4 13939 B12R0.47 CCCCSCC(=O)OCCOC 62a_200000040189_100000210210 [0,2,0,0,0,0|2,0,0]=4 13940 B12R0.47 CCCNNC(=O)CCCCCO 22a_100000740057_100102619762 [0,2,0,0,0,0|2,0,0]=4 13941 B12R0.47 CCCNNC(=O)NCCCCO 273464a_100000750430_100000740057 [0,2,0,0,0,0|2,0,0]=4 13942 B12R0.47 CCCNNC(=O)NCCCCO 512a_100000740057_100000750430 [0,2,0,0,0,0|2,0,0]=4 13943 B12R0.47 CCCNNC(=O)NCCCCO 512a_100000750430_100000740057 [0,2,0,0,0,0|2,0,0]=4 13944 B12R0.47 CCCNNC(=O)NCCCOC 273464a_100150723488_100000740057 [0,2,0,0,0,0|2,0,0]=4 13945 B12R0.47 CCCNNC(=O)NCCCOC 512a_100000740057_100150723488 [0,2,0,0,0,0|2,0,0]=4 13946 B12R0.47 CCCNNC(=O)NCCCSC 273464a_100000749238_100000740057 [0,2,0,0,0,0|2,0,0]=4 13947 B12R0.47 CCCNNC(=O)NCCCSC 512a_100000740057_100000749238 [0,2,0,0,0,0|2,0,0]=4 13948 B12R0.47 CCCNNC(=O)NCCCSC 512a_100000749238_100000740057 [0,2,0,0,0,0|2,0,0]=4 13949 B12R0.47 CCCNNC(=O)NCCOCC 273464a_102516460346_100000740057 [0,2,0,0,0,0|2,0,0]=4 13950 B12R0.47 CCCNNC(=O)NCCOCC 512a_100000740057_100011200944 [0,2,0,0,0,0|2,0,0]=4 13951 B12R0.47 CCCNNC(=O)NCCOCC 512a_100011200944_100000740057 [0,2,0,0,0,0|2,0,0]=4 13952 B12R0.47 CCCNNC(=O)NCCSCC 273464a_100000106463_100000740057 [0,2,0,0,0,0|2,0,0]=4 13953 B12R0.47 CCCNNC(=O)NCCSCC 512a_100000106463_100000740057 [0,2,0,0,0,0|2,0,0]=4 13954 B12R0.47 CCCNNC(=O)NCCSCC 512a_100000740057_100000106463 [0,2,0,0,0,0|2,0,0]=4 13955 B12R0.47 CCCOCC(=O)CCCCCF 1458a_100000745993_100000729378 [0,2,0,0,0,0|2,0,0]=4 13956 B12R0.47 CCCOCC(=O)CCCCCO 1458a_100000745993_100000746330 [0,2,0,0,0,0|2,0,0]=4 13957 B12R0.47 CCCOCC(=O)CCCCOC 1458a_100000745993_100000755781 [0,2,0,0,0,0|2,0,0]=4 13958 B12R0.47 CCCOCC(=O)CCCOCC 1458a_100000745993_100012232248 [0,2,0,0,0,0|2,0,0]=4 13959 B12R0.47 CCCOCC(=O)NCCCCO 240690a_100000750430_100000745993 [0,2,0,0,0,0|2,0,0]=4 13960 B12R0.47 CCCOCC(=O)NCCCCO 527a_100000750430_100000745993 [0,2,0,0,0,0|2,0,0]=4 13961 B12R0.47 CCCOCC(=O)NCCCOC 1626a_100150723488_100000745993 [0,2,0,0,0,0|2,0,0]=4 13962 B12R0.47 CCCOCC(=O)NCCCOC 240690a_100150723488_100000745993 [0,2,0,0,0,0|2,0,0]=4 13963 B12R0.47 CCCOCC(=O)NCCCOC 34a_100000210258_100000183178 [0,2,0,0,0,0|2,0,0]=4 13964 B12R0.47 CCCOCC(=O)NCCCOC 527a_100150723488_100000745993 [0,2,0,0,0,0|2,0,0]=4 13965 B12R0.47 CCCOCC(=O)NCCCSC 11a_100000749238_100000745993 [0,2,0,0,0,0|2,0,0]=4 13966 B12R0.47 CCCOCC(=O)NCCCSC 1626a_100000749238_100000745993 [0,2,0,0,0,0|2,0,0]=4 13967 B12R0.47 CCCOCC(=O)NCCCSC 240690a_100000749238_100000745993 [0,2,0,0,0,0|2,0,0]=4 13968 B12R0.47 CCCOCC(=O)NCCCSC 527a_100000749238_100000745993 [0,2,0,0,0,0|2,0,0]=4 13969 B12R0.47 CCCOCC(=O)NCCOCC 11a_100011200944_100000745993 [0,2,0,0,0,0|2,0,0]=4 13970 B12R0.47 CCCOCC(=O)NCCOCC 1626a_102516460346_100000745993 [0,2,0,0,0,0|2,0,0]=4 13971 B12R0.47 CCCOCC(=O)NCCOCC 240690a_100011200944_100000745993 [0,2,0,0,0,0|2,0,0]=4 13972 B12R0.47 CCCOCC(=O)NCCOCC 527a_100011200944_100000745993 [0,2,0,0,0,0|2,0,0]=4 13973 B12R0.47 CCCOCC(=O)NCCSCC 11a_100000106463_100000745993 [0,2,0,0,0,0|2,0,0]=4 13974 B12R0.47 CCCOCC(=O)NCCSCC 1626a_100000106463_100000745993 [0,2,0,0,0,0|2,0,0]=4 13975 B12R0.47 CCCOCC(=O)NCCSCC 240690a_100000106463_100000745993 [0,2,0,0,0,0|2,0,0]=4 13976 B12R0.47 CCCOCC(=O)NCCSCC 527a_100000106463_100000745993 [0,2,0,0,0,0|2,0,0]=4 13977 B12R0.47 CCCOCC(=O)OCCOCC 34a_100000210258_200000101388 [0,2,0,0,0,0|1,0,0]=3 13978 B12R0.47 CCCOCCC(=O)CCCC#N 1458a_100000075515_100011215938 [0,2,0,0,0,0|2,0,0]=4 13979 B12R0.47 CCCOCCC(=O)CCCCO 1458a_100000695505_100011215938 [0,2,0,0,0,0|2,0,0]=4 13980 B12R0.47 CCCOCCC(=O)CCCOC 1458a_100000741012_100011215938 [0,2,0,0,0,0|2,0,0]=4 13981 B12R0.47 CCCOCCC(=O)CCCSC 1458a_100000173376_100011215938 [0,2,0,0,0,0|2,0,0]=4 13982 B12R0.47 CCCOCCC(=O)CCOCC 1458a_100000749530_100011215938 [0,2,0,0,0,0|2,0,0]=4 13983 B12R0.47 CCCOCCC(=O)CCSCC 1458a_100000230768_100011215938 [0,2,0,0,0,0|2,0,0]=4 13984 B12R0.47 CCCOCCC(=O)COCCC 1458a_100000745993_100011215938 [0,2,0,0,0,0|2,0,0]=4 13985 B12R0.47 CCCOCCC(=O)COCCO 1458a_100000708028_100011215938 [0,2,0,0,0,0|2,0,0]=4 13986 B12R0.47 CCCOCCC(=O)CSCCC 1458a_100000217233_100011215938 [0,2,0,0,0,0|2,0,0]=4 13987 B12R0.47 CCCSCC(=O)CCCCCF 1458a_100000217233_100000729378 [0,2,0,0,0,0|2,0,0]=4 13988 B12R0.47 CCCSCC(=O)CCCCCO 1458a_100000217233_100000746330 [0,2,0,0,0,0|2,0,0]=4 13989 B12R0.47 CCCSCC(=O)CCCCOC 1458a_100000217233_100000755781 [0,2,0,0,0,0|2,0,0]=4 13990 B12R0.47 CCCSCC(=O)CCCOCC 1458a_100000217233_100012232248 [0,2,0,0,0,0|2,0,0]=4 13991 B12R0.47 CCCSCC(=O)NCCCCO 240690a_100000750430_100000217233 [0,2,0,0,0,0|2,0,0]=4 13992 B12R0.47 CCCSCC(=O)NCCCCO 527a_100000750430_100000217233 [0,2,0,0,0,0|2,0,0]=4 13993 B12R0.47 CCCSCC(=O)NCCCOC 1626a_100150723488_100000217233 [0,2,0,0,0,0|2,0,0]=4 13994 B12R0.47 CCCSCC(=O)NCCCOC 240690a_100150723488_100000217233 [0,2,0,0,0,0|2,0,0]=4 13995 B12R0.47 CCCSCC(=O)NCCCOC 527a_100150723488_100000217233 [0,2,0,0,0,0|2,0,0]=4 13996 B12R0.47 CCCSCC(=O)NCCCOC 62a_100000183178_100000210303 [0,2,0,0,0,0|2,0,0]=4 13997 B12R0.47 CCCSCC(=O)NCCCSC 11a_100000749238_100000217233 [0,2,0,0,0,0|2,0,0]=4 13998 B12R0.47 CCCSCC(=O)NCCCSC 1626a_100000749238_100000217233 [0,2,0,0,0,0|2,0,0]=4 13999 B12R0.47 CCCSCC(=O)NCCCSC 240690a_100000749238_100000217233 [0,2,0,0,0,0|2,0,0]=4 14000 B12R0.47 CCCSCC(=O)NCCCSC 527a_100000749238_100000217233 [0,2,0,0,0,0|2,0,0]=4 14001 B12R0.47 CCCSCC(=O)NCCOCC 11a_100011200944_100000217233 [0,2,0,0,0,0|2,0,0]=4 14002 B12R0.47 CCCSCC(=O)NCCOCC 1626a_102516460346_100000217233 [0,2,0,0,0,0|2,0,0]=4 14003 B12R0.47 CCCSCC(=O)NCCOCC 240690a_100011200944_100000217233 [0,2,0,0,0,0|2,0,0]=4 14004 B12R0.47 CCCSCC(=O)NCCOCC 527a_100011200944_100000217233 [0,2,0,0,0,0|2,0,0]=4 14005 B12R0.47 CCCSCC(=O)NCCSCC 11a_100000106463_100000217233 [0,2,0,0,0,0|2,0,0]=4 14006 B12R0.47 CCCSCC(=O)NCCSCC 1626a_100000106463_100000217233 [0,2,0,0,0,0|2,0,0]=4 14007 B12R0.47 CCCSCC(=O)NCCSCC 240690a_100000106463_100000217233 [0,2,0,0,0,0|2,0,0]=4 14008 B12R0.47 CCCSCC(=O)NCCSCC 527a_100000106463_100000217233 [0,2,0,0,0,0|2,0,0]=4 14009 B12R0.47 CCCSCC(=O)OCCOCC 62a_100000210303_200000101388 [0,2,0,0,0,0|1,0,0]=3 14010 B12R0.47 CCCSCC(=O)OCCOCC 62a_200000101388_100000210303 [0,2,0,0,0,0|1,0,0]=3 14011 B12R0.47 CCOCCC(=O)CCCCCF 1458a_100000749530_100000729378 [0,2,0,0,0,0|2,0,0]=4 14012 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100000749530_100000746330 [0,2,0,0,0,0|2,0,0]=4 14013 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100102619762_100011215890 [0,2,0,0,0,0|2,0,0]=4 14014 B12R0.47 CCOCCC(=O)CCCCOC 1458a_100000749530_100000755781 [0,2,0,0,0,0|2,0,0]=4 14015 B12R0.47 CCOCCC(=O)NCCCCO 240690a_100000750430_100000749530 [0,2,0,0,0,0|2,0,0]=4 14016 B12R0.47 CCOCCC(=O)NCCCCO 527a_100000750430_100000749530 [0,2,0,0,0,0|2,0,0]=4 14017 B12R0.47 CCOCCC(=O)NCCCOC 1626a_100150723488_100000749530 [0,2,0,0,0,0|2,0,0]=4 14018 B12R0.47 CCOCCC(=O)NCCCOC 240690a_100150723488_100000749530 [0,2,0,0,0,0|2,0,0]=4 14019 B12R0.47 CCOCCC(=O)NCCCOC 527a_100150723488_100000749530 [0,2,0,0,0,0|2,0,0]=4 14020 B12R0.47 CCOCCC(=O)NCCCSC 11a_100000749238_100000749530 [0,2,0,0,0,0|2,0,0]=4 14021 B12R0.47 CCOCCC(=O)NCCCSC 1626a_100000749238_100000749530 [0,2,0,0,0,0|2,0,0]=4 14022 B12R0.47 CCOCCC(=O)NCCCSC 240690a_100000749238_100000749530 [0,2,0,0,0,0|2,0,0]=4 14023 B12R0.47 CCOCCC(=O)NCCCSC 527a_100000749238_100000749530 [0,2,0,0,0,0|2,0,0]=4 14024 B12R0.47 CCOCCC(=O)NCCSCC 11a_100000106463_100000749530 [0,2,0,0,0,0|2,0,0]=4 14025 B12R0.47 CCOCCC(=O)NCCSCC 1626a_100000106463_100000749530 [0,2,0,0,0,0|2,0,0]=4 14026 B12R0.47 CCOCCC(=O)NCCSCC 240690a_100000106463_100000749530 [0,2,0,0,0,0|2,0,0]=4 14027 B12R0.47 CCOCCC(=O)NCCSCC 527a_100000106463_100000749530 [0,2,0,0,0,0|2,0,0]=4 14028 B12R0.47 CCOCCCC(=O)CCCC#N 1458a_100000075515_100012232248 [0,2,0,0,0,0|2,0,0]=4 14029 B12R0.47 CCOCCCC(=O)CCCCO 1458a_100000695505_100012232248 [0,2,0,0,0,0|2,0,0]=4 14030 B12R0.47 CCOCCCC(=O)CCCOC 1458a_100000741012_100012232248 [0,2,0,0,0,0|2,0,0]=4 14031 B12R0.47 CCOCCCC(=O)CCCSC 1458a_100000173376_100012232248 [0,2,0,0,0,0|2,0,0]=4 14032 B12R0.47 CCOCCCC(=O)CCOCC 1458a_100000749530_100012232248 [0,2,0,0,0,0|2,0,0]=4 14033 B12R0.47 CCOCCCC(=O)CCSCC 1458a_100000230768_100012232248 [0,2,0,0,0,0|2,0,0]=4 14034 B12R0.47 CCOCCCC(=O)COCCO 1458a_100000708028_100012232248 [0,2,0,0,0,0|2,0,0]=4 14035 B12R0.47 CCOCCNC(=O)CCCC#N 11a_100011200944_100000075515 [0,2,0,0,0,0|2,0,0]=4 14036 B12R0.47 CCOCCNC(=O)CCCC#N 1626a_102516460346_100000075515 [0,2,0,0,0,0|2,0,0]=4 14037 B12R0.47 CCOCCNC(=O)CCCC#N 240690a_100011200944_100000075515 [0,2,0,0,0,0|2,0,0]=4 14038 B12R0.47 CCOCCNC(=O)CCCC#N 527a_100011200944_100000075515 [0,2,0,0,0,0|2,0,0]=4 14039 B12R0.47 CCOCCNC(=O)CCCCO 1626a_102516460346_100000695505 [0,2,0,0,0,0|2,0,0]=4 14040 B12R0.47 CCOCCNC(=O)CCCOC 11a_100011200944_100000741012 [0,2,0,0,0,0|2,0,0]=4 14041 B12R0.47 CCOCCNC(=O)CCCOC 1626a_102516460346_100000741012 [0,2,0,0,0,0|2,0,0]=4 14042 B12R0.47 CCOCCNC(=O)CCCOC 240690a_100011200944_100000741012 [0,2,0,0,0,0|2,0,0]=4 14043 B12R0.47 CCOCCNC(=O)CCCOC 527a_100011200944_100000741012 [0,2,0,0,0,0|2,0,0]=4 14044 B12R0.47 CCOCCNC(=O)CCCSC 11a_100011200944_100000173376 [0,2,0,0,0,0|2,0,0]=4 14045 B12R0.47 CCOCCNC(=O)CCCSC 1626a_102516460346_100000173376 [0,2,0,0,0,0|2,0,0]=4 14046 B12R0.47 CCOCCNC(=O)CCCSC 240690a_100011200944_100000173376 [0,2,0,0,0,0|2,0,0]=4 14047 B12R0.47 CCOCCNC(=O)CCCSC 527a_100011200944_100000173376 [0,2,0,0,0,0|2,0,0]=4 14048 B12R0.47 CCOCCNC(=O)CCOCC 11a_100011200944_100000749530 [0,2,0,0,0,0|2,0,0]=4 14049 B12R0.47 CCOCCNC(=O)CCOCC 1626a_102516460346_100000749530 [0,2,0,0,0,0|2,0,0]=4 14050 B12R0.47 CCOCCNC(=O)CCOCC 240690a_100011200944_100000749530 [0,2,0,0,0,0|2,0,0]=4 14051 B12R0.47 CCOCCNC(=O)CCOCC 527a_100011200944_100000749530 [0,2,0,0,0,0|2,0,0]=4 14052 B12R0.47 CCOCCNC(=O)CCSCC 11a_100011200944_100000230768 [0,2,0,0,0,0|2,0,0]=4 14053 B12R0.47 CCOCCNC(=O)CCSCC 1626a_102516460346_100000230768 [0,2,0,0,0,0|2,0,0]=4 14054 B12R0.47 CCOCCNC(=O)CCSCC 240690a_100011200944_100000230768 [0,2,0,0,0,0|2,0,0]=4 14055 B12R0.47 CCOCCNC(=O)CCSCC 527a_100011200944_100000230768 [0,2,0,0,0,0|2,0,0]=4 14056 B12R0.47 CCOCCNC(=O)COCCO 1626a_102516460346_100000708028 [0,2,0,0,0,0|2,0,0]=4 14057 B12R0.47 CCOCCNC(=O)COCCO 240690a_100011200944_100000708028 [0,2,0,0,0,0|2,0,0]=4 14058 B12R0.47 CCOCCNC(=O)NCCCF 2708a_100011200944_100015189416 [0,2,0,0,0,0|2,0,0]=4 14059 B12R0.47 CCOCCNC(=O)NCCCF 2708a_100015189416_100011200944 [0,2,0,0,0,0|2,0,0]=4 14060 B12R0.47 CCOCCNC(=O)NCCCF 273464a_100015189416_102516460346 [0,2,0,0,0,0|2,0,0]=4 14061 B12R0.47 CCOCCNC(=O)NCCCF 273464a_102516460346_100015189416 [0,2,0,0,0,0|2,0,0]=4 14062 B12R0.47 CCOCCNC(=O)NCCCF 512a_100011200944_100015189416 [0,2,0,0,0,0|2,0,0]=4 14063 B12R0.47 CCOCCNC(=O)NCCCF 512a_100015189416_100011200944 [0,2,0,0,0,0|2,0,0]=4 14064 B12R0.47 CCOCCNC(=O)NCCCO 2708a_100011200944_100000182051 [0,2,0,0,0,0|2,0,0]=4 14065 B12R0.47 CCOCCNC(=O)NCCCO 273464a_100000182051_102516460346 [0,2,0,0,0,0|2,0,0]=4 14066 B12R0.47 CCOCCNC(=O)NCCCO 273464a_102516460346_100000182051 [0,2,0,0,0,0|2,0,0]=4 14067 B12R0.47 CCOCCNC(=O)NCCCO 512a_100011200944_100000182051 [0,2,0,0,0,0|2,0,0]=4 14068 B12R0.47 CCOCCNC(=O)NCCOC 2708a_100011200944_100000209980 [0,2,0,0,0,0|2,0,0]=4 14069 B12R0.47 CCOCCNC(=O)NCCOC 273464a_100000209980_102516460346 [0,2,0,0,0,0|2,0,0]=4 14070 B12R0.47 CCOCCNC(=O)NCCOC 273464a_102516460346_100000209980 [0,2,0,0,0,0|2,0,0]=4 14071 B12R0.47 CCOCCNC(=O)NCCSC 2708a_100011200944_100020590264 [0,2,0,0,0,0|2,0,0]=4 14072 B12R0.47 CCOCCNC(=O)NCCSC 2708a_100020590264_100011200944 [0,2,0,0,0,0|2,0,0]=4 14073 B12R0.47 CCOCCNC(=O)NCCSC 273464a_100020590264_102516460346 [0,2,0,0,0,0|2,0,0]=4 14074 B12R0.47 CCOCCNC(=O)NCCSC 273464a_102516460346_100020590264 [0,2,0,0,0,0|2,0,0]=4 14075 B12R0.47 CCOCCNC(=O)NCCSC 512a_100011200944_100020590264 [0,2,0,0,0,0|2,0,0]=4 14076 B12R0.47 CCOCCNC(=O)NCCSC 512a_100020590264_100011200944 [0,2,0,0,0,0|2,0,0]=4 14077 B12R0.47 CCOCCOC(=O)CNCCF 34a_100000724931_200000101388 [0,2,0,0,0,0|1,0,0]=3 14078 B12R0.47 CCOCCOC(=O)CNCCO 2230a_100016997473_200000101388 [0,2,0,0,0,0|1,0,0]=3 14079 B12R0.47 CCOCCOC(=O)CNCCO 34a_100016990907_200000101388 [0,2,0,0,0,0|1,0,0]=3 14080 B12R0.47 CCOCCOC(=O)COCCBr 34a_100000211926_200000101388 [0,2,0,0,0,0|1,0,0]=3 14081 B12R0.47 CCOCCOC(=O)COCCN 34a_100000210304_200000101388 [0,2,0,0,0,0|1,0,0]=3 14082 B12R0.47 CCOCCOC(=O)CSCC#N 62a_100011215382_200000101388 [0,2,0,0,0,0|1,0,1]=4 14083 B12R0.47 CCOCCOC(=O)CSCC#N 62a_200000101388_100011215382 [0,2,0,0,0,0|1,0,1]=4 14084 B12R0.47 CCOCCOC(=O)CSCC=O 62a_200000101388_200015260668 [0,2,0,0,0,0|1,0,1]=4 14085 B12R0.47 CCOCCOC(=O)CSCC=O 62a_200015260668_200000101388 [0,2,0,0,0,0|1,0,1]=4 14086 B12R0.47 CCOCCOC(=O)CSCCF 62a_100011217306_200000101388 [0,2,0,0,0,0|1,0,0]=3 14087 B12R0.47 CCOCCOC(=O)CSCCF 62a_200000101388_100011217306 [0,2,0,0,0,0|1,0,0]=3 14088 B12R0.47 CCOCCOC(=O)CSCCO 62a_100000211926_200000101388 [0,2,0,0,0,0|1,0,0]=3 14089 B12R0.47 CCOCCOC(=O)CSCCO 62a_200000101388_100000211926 [0,2,0,0,0,0|1,0,0]=3 14090 B12R0.47 CCOCCOC(=O)CSCOC 62a_100000766300_200000101388 [0,2,0,0,0,0|1,0,0]=3 14091 B12R0.47 CCOCCOC(=O)CSCOC 62a_200000101388_100000766300 [0,2,0,0,0,0|1,0,0]=3 14092 B12R0.47 CCOCCOC(=O)CSCSC 62a_100011218213_200000101388 [0,2,0,0,0,0|1,0,0]=3 14093 B12R0.47 CCOCCOC(=O)CSCSC 62a_200000101388_100011218213 [0,2,0,0,0,0|1,0,0]=3 14094 B12R0.47 CCSCCC(=O)CCCCCF 1458a_100000230768_100000729378 [0,2,0,0,0,0|2,0,0]=4 14095 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100000230768_100000746330 [0,2,0,0,0,0|2,0,0]=4 14096 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100102619762_100000757381 [0,2,0,0,0,0|2,0,0]=4 14097 B12R0.47 CCSCCC(=O)CCCCOC 1458a_100000230768_100000755781 [0,2,0,0,0,0|2,0,0]=4 14098 B12R0.47 CCSCCC(=O)NCCCCO 240690a_100000750430_100000230768 [0,2,0,0,0,0|2,0,0]=4 14099 B12R0.47 CCSCCC(=O)NCCCCO 527a_100000750430_100000230768 [0,2,0,0,0,0|2,0,0]=4 14100 B12R0.47 CCSCCC(=O)NCCCOC 1626a_100150723488_100000230768 [0,2,0,0,0,0|2,0,0]=4 14101 B12R0.47 CCSCCC(=O)NCCCOC 240690a_100150723488_100000230768 [0,2,0,0,0,0|2,0,0]=4 14102 B12R0.47 CCSCCC(=O)NCCCOC 527a_100150723488_100000230768 [0,2,0,0,0,0|2,0,0]=4 14103 B12R0.47 CCSCCC(=O)NCCCSC 11a_100000749238_100000230768 [0,2,0,0,0,0|2,0,0]=4 14104 B12R0.47 CCSCCC(=O)NCCCSC 1626a_100000749238_100000230768 [0,2,0,0,0,0|2,0,0]=4 14105 B12R0.47 CCSCCC(=O)NCCCSC 240690a_100000749238_100000230768 [0,2,0,0,0,0|2,0,0]=4 14106 B12R0.47 CCSCCC(=O)NCCCSC 527a_100000749238_100000230768 [0,2,0,0,0,0|2,0,0]=4 14107 B12R0.47 CCSCCNC(=O)CCCC#N 11a_100000106463_100000075515 [0,2,0,0,0,0|2,0,0]=4 14108 B12R0.47 CCSCCNC(=O)CCCC#N 1626a_100000106463_100000075515 [0,2,0,0,0,0|2,0,0]=4 14109 B12R0.47 CCSCCNC(=O)CCCC#N 240690a_100000106463_100000075515 [0,2,0,0,0,0|2,0,0]=4 14110 B12R0.47 CCSCCNC(=O)CCCC#N 527a_100000106463_100000075515 [0,2,0,0,0,0|2,0,0]=4 14111 B12R0.47 CCSCCNC(=O)CCCCO 1626a_100000106463_100000695505 [0,2,0,0,0,0|2,0,0]=4 14112 B12R0.47 CCSCCNC(=O)CCCOC 11a_100000106463_100000741012 [0,2,0,0,0,0|2,0,0]=4 14113 B12R0.47 CCSCCNC(=O)CCCOC 1626a_100000106463_100000741012 [0,2,0,0,0,0|2,0,0]=4 14114 B12R0.47 CCSCCNC(=O)CCCOC 240690a_100000106463_100000741012 [0,2,0,0,0,0|2,0,0]=4 14115 B12R0.47 CCSCCNC(=O)CCCOC 527a_100000106463_100000741012 [0,2,0,0,0,0|2,0,0]=4 14116 B12R0.47 CCSCCNC(=O)CCCSC 11a_100000106463_100000173376 [0,2,0,0,0,0|2,0,0]=4 14117 B12R0.47 CCSCCNC(=O)CCCSC 1626a_100000106463_100000173376 [0,2,0,0,0,0|2,0,0]=4 14118 B12R0.47 CCSCCNC(=O)CCCSC 240690a_100000106463_100000173376 [0,2,0,0,0,0|2,0,0]=4 14119 B12R0.47 CCSCCNC(=O)CCCSC 527a_100000106463_100000173376 [0,2,0,0,0,0|2,0,0]=4 14120 B12R0.47 CCSCCNC(=O)CCSCC 11a_100000106463_100000230768 [0,2,0,0,0,0|2,0,0]=4 14121 B12R0.47 CCSCCNC(=O)CCSCC 1626a_100000106463_100000230768 [0,2,0,0,0,0|2,0,0]=4 14122 B12R0.47 CCSCCNC(=O)CCSCC 240690a_100000106463_100000230768 [0,2,0,0,0,0|2,0,0]=4 14123 B12R0.47 CCSCCNC(=O)CCSCC 527a_100000106463_100000230768 [0,2,0,0,0,0|2,0,0]=4 14124 B12R0.47 CCSCCNC(=O)COCCO 1626a_100000106463_100000708028 [0,2,0,0,0,0|2,0,0]=4 14125 B12R0.47 CCSCCNC(=O)COCCO 240690a_100000106463_100000708028 [0,2,0,0,0,0|2,0,0]=4 14126 B12R0.47 CCSCCNC(=O)NCCCF 2708a_100000106463_100015189416 [0,2,0,0,0,0|2,0,0]=4 14127 B12R0.47 CCSCCNC(=O)NCCCF 2708a_100015189416_100000106463 [0,2,0,0,0,0|2,0,0]=4 14128 B12R0.47 CCSCCNC(=O)NCCCF 273464a_100000106463_100015189416 [0,2,0,0,0,0|2,0,0]=4 14129 B12R0.47 CCSCCNC(=O)NCCCF 273464a_100015189416_100000106463 [0,2,0,0,0,0|2,0,0]=4 14130 B12R0.47 CCSCCNC(=O)NCCCF 512a_100000106463_100015189416 [0,2,0,0,0,0|2,0,0]=4 14131 B12R0.47 CCSCCNC(=O)NCCCF 512a_100015189416_100000106463 [0,2,0,0,0,0|2,0,0]=4 14132 B12R0.47 CCSCCNC(=O)NCCCO 2708a_100000106463_100000182051 [0,2,0,0,0,0|2,0,0]=4 14133 B12R0.47 CCSCCNC(=O)NCCCO 273464a_100000106463_100000182051 [0,2,0,0,0,0|2,0,0]=4 14134 B12R0.47 CCSCCNC(=O)NCCCO 273464a_100000182051_100000106463 [0,2,0,0,0,0|2,0,0]=4 14135 B12R0.47 CCSCCNC(=O)NCCCO 512a_100000106463_100000182051 [0,2,0,0,0,0|2,0,0]=4 14136 B12R0.47 CCSCCNC(=O)NCCOC 2708a_100000106463_100000209980 [0,2,0,0,0,0|2,0,0]=4 14137 B12R0.47 CCSCCNC(=O)NCCOC 273464a_100000106463_100000209980 [0,2,0,0,0,0|2,0,0]=4 14138 B12R0.47 CCSCCNC(=O)NCCOC 273464a_100000209980_100000106463 [0,2,0,0,0,0|2,0,0]=4 14139 B12R0.47 CCSCCNC(=O)NCCSC 2708a_100000106463_100020590264 [0,2,0,0,0,0|2,0,0]=4 14140 B12R0.47 CCSCCNC(=O)NCCSC 2708a_100020590264_100000106463 [0,2,0,0,0,0|2,0,0]=4 14141 B12R0.47 CCSCCNC(=O)NCCSC 273464a_100000106463_100020590264 [0,2,0,0,0,0|2,0,0]=4 14142 B12R0.47 CCSCCNC(=O)NCCSC 273464a_100020590264_100000106463 [0,2,0,0,0,0|2,0,0]=4 14143 B12R0.47 CCSCCNC(=O)NCCSC 512a_100000106463_100020590264 [0,2,0,0,0,0|2,0,0]=4 14144 B12R0.47 CCSCCNC(=O)NCCSC 512a_100020590264_100000106463 [0,2,0,0,0,0|2,0,0]=4 14145 B12R0.47 COCCCC(=O)CCCCCF 1458a_100000741012_100000729378 [0,2,0,0,0,0|2,0,0]=4 14146 B12R0.47 COCCCC(=O)CCCCCO 1458a_100000741012_100000746330 [0,2,0,0,0,0|2,0,0]=4 14147 B12R0.47 COCCCC(=O)CCCCCO 1458a_100102619762_100000740836 [0,2,0,0,0,0|2,0,0]=4 14148 B12R0.47 COCCCC(=O)NCCCCO 240690a_100000750430_100000741012 [0,2,0,0,0,0|2,0,0]=4 14149 B12R0.47 COCCCC(=O)NCCCCO 527a_100000750430_100000741012 [0,2,0,0,0,0|2,0,0]=4 14150 B12R0.47 COCCCC(=O)NCCCSC 11a_100000749238_100000741012 [0,2,0,0,0,0|2,0,0]=4 14151 B12R0.47 COCCCC(=O)NCCCSC 1626a_100000749238_100000741012 [0,2,0,0,0,0|2,0,0]=4 14152 B12R0.47 COCCCC(=O)NCCCSC 240690a_100000749238_100000741012 [0,2,0,0,0,0|2,0,0]=4 14153 B12R0.47 COCCCC(=O)NCCCSC 527a_100000749238_100000741012 [0,2,0,0,0,0|2,0,0]=4 14154 B12R0.47 COCCCCC(=O)CCCC#N 1458a_100000075515_100000755781 [0,2,0,0,0,0|2,0,0]=4 14155 B12R0.47 COCCCCC(=O)CCCCO 1458a_100000695505_100000755781 [0,2,0,0,0,0|2,0,0]=4 14156 B12R0.47 COCCCCC(=O)CCCOC 1458a_100000741012_100000755781 [0,2,0,0,0,0|2,0,0]=4 14157 B12R0.47 COCCCCC(=O)CCCSC 1458a_100000173376_100000755781 [0,2,0,0,0,0|2,0,0]=4 14158 B12R0.47 COCCCCC(=O)COCCO 1458a_100000708028_100000755781 [0,2,0,0,0,0|2,0,0]=4 14159 B12R0.47 COCCCNC(=O)CCCC#N 1626a_100150723488_100000075515 [0,2,0,0,0,0|2,0,0]=4 14160 B12R0.47 COCCCNC(=O)CCCC#N 240690a_100150723488_100000075515 [0,2,0,0,0,0|2,0,0]=4 14161 B12R0.47 COCCCNC(=O)CCCC#N 527a_100150723488_100000075515 [0,2,0,0,0,0|2,0,0]=4 14162 B12R0.47 COCCCNC(=O)CCCCO 1626a_100150723488_100000695505 [0,2,0,0,0,0|2,0,0]=4 14163 B12R0.47 COCCCNC(=O)CCCOC 1626a_100150723488_100000741012 [0,2,0,0,0,0|2,0,0]=4 14164 B12R0.47 COCCCNC(=O)CCCOC 240690a_100150723488_100000741012 [0,2,0,0,0,0|2,0,0]=4 14165 B12R0.47 COCCCNC(=O)CCCOC 527a_100150723488_100000741012 [0,2,0,0,0,0|2,0,0]=4 14166 B12R0.47 COCCCNC(=O)CCCSC 1626a_100150723488_100000173376 [0,2,0,0,0,0|2,0,0]=4 14167 B12R0.47 COCCCNC(=O)CCCSC 240690a_100150723488_100000173376 [0,2,0,0,0,0|2,0,0]=4 14168 B12R0.47 COCCCNC(=O)CCCSC 527a_100150723488_100000173376 [0,2,0,0,0,0|2,0,0]=4 14169 B12R0.47 COCCCNC(=O)CNCCF 34a_100000724931_100000183178 [0,2,0,0,0,0|2,0,0]=4 14170 B12R0.47 COCCCNC(=O)CNCCO 2230a_100016997473_100000183178 [0,2,0,0,0,0|2,0,0]=4 14171 B12R0.47 COCCCNC(=O)CNCCO 34a_100016990907_100000183178 [0,2,0,0,0,0|2,0,0]=4 14172 B12R0.47 COCCCNC(=O)COCCBr 34a_100000211926_100000183178 [0,2,0,0,0,0|2,0,0]=4 14173 B12R0.47 COCCCNC(=O)COCCN 34a_100000210304_100000183178 [0,2,0,0,0,0|2,0,0]=4 14174 B12R0.47 COCCCNC(=O)COCCO 1626a_100150723488_100000708028 [0,2,0,0,0,0|2,0,0]=4 14175 B12R0.47 COCCCNC(=O)COCCO 240690a_100150723488_100000708028 [0,2,0,0,0,0|2,0,0]=4 14176 B12R0.47 COCCCNC(=O)CSCCF 62a_100000183178_100011217306 [0,2,0,0,0,0|2,0,0]=4 14177 B12R0.47 COCCCNC(=O)CSCCO 62a_100000183178_100000211926 [0,2,0,0,0,0|2,0,0]=4 14178 B12R0.47 COCCCNC(=O)CSCOC 62a_100000183178_100000766300 [0,2,0,0,0,0|2,0,0]=4 14179 B12R0.47 COCCCNC(=O)CSCSC 62a_100000183178_100011218213 [0,2,0,0,0,0|2,0,0]=4 14180 B12R0.47 COCCCNC(=O)NCCCF 2708a_100015189416_100150723488 [0,2,0,0,0,0|2,0,0]=4 14181 B12R0.47 COCCCNC(=O)NCCCF 2708a_100150723488_100015189416 [0,2,0,0,0,0|2,0,0]=4 14182 B12R0.47 COCCCNC(=O)NCCCF 273464a_100015189416_100150723488 [0,2,0,0,0,0|2,0,0]=4 14183 B12R0.47 COCCCNC(=O)NCCCF 273464a_100150723488_100015189416 [0,2,0,0,0,0|2,0,0]=4 14184 B12R0.47 COCCCNC(=O)NCCCF 512a_100015189416_100150723488 [0,2,0,0,0,0|2,0,0]=4 14185 B12R0.47 COCCCNC(=O)NCCCO 2708a_100150723488_100000182051 [0,2,0,0,0,0|2,0,0]=4 14186 B12R0.47 COCCCNC(=O)NCCCO 273464a_100000182051_100150723488 [0,2,0,0,0,0|2,0,0]=4 14187 B12R0.47 COCCCNC(=O)NCCCO 273464a_100150723488_100000182051 [0,2,0,0,0,0|2,0,0]=4 14188 B12R0.47 COCCCNC(=O)NCCOC 2708a_100150723488_100000209980 [0,2,0,0,0,0|2,0,0]=4 14189 B12R0.47 COCCCNC(=O)NCCOC 273464a_100000209980_100150723488 [0,2,0,0,0,0|2,0,0]=4 14190 B12R0.47 COCCCNC(=O)NCCOC 273464a_100150723488_100000209980 [0,2,0,0,0,0|2,0,0]=4 14191 B12R0.47 COCCCNC(=O)NCCSC 2708a_100020590264_100150723488 [0,2,0,0,0,0|2,0,0]=4 14192 B12R0.47 COCCCNC(=O)NCCSC 2708a_100150723488_100020590264 [0,2,0,0,0,0|2,0,0]=4 14193 B12R0.47 COCCCNC(=O)NCCSC 273464a_100020590264_100150723488 [0,2,0,0,0,0|2,0,0]=4 14194 B12R0.47 COCCCNC(=O)NCCSC 273464a_100150723488_100020590264 [0,2,0,0,0,0|2,0,0]=4 14195 B12R0.47 COCCCNC(=O)NCCSC 512a_100020590264_100150723488 [0,2,0,0,0,0|2,0,0]=4 14196 B12R0.47 COCCNC(=O)CCCCCO 240690a_100000209980_100102619762 [0,2,0,0,0,0|2,0,0]=4 14197 B12R0.47 COCCNC(=O)NCCCCO 2708a_100000750430_100000209980 [0,2,0,0,0,0|2,0,0]=4 14198 B12R0.47 COCCNC(=O)NCCCCO 273464a_100000209980_100000750430 [0,2,0,0,0,0|2,0,0]=4 14199 B12R0.47 COCCNC(=O)NCCCCO 273464a_100000750430_100000209980 [0,2,0,0,0,0|2,0,0]=4 14200 B12R0.47 COCCNC(=O)NCCCSC 2708a_100000749238_100000209980 [0,2,0,0,0,0|2,0,0]=4 14201 B12R0.47 COCCNC(=O)NCCCSC 273464a_100000209980_100000749238 [0,2,0,0,0,0|2,0,0]=4 14202 B12R0.47 COCCNC(=O)NCCCSC 273464a_100000749238_100000209980 [0,2,0,0,0,0|2,0,0]=4 14203 B12R0.47 CSCCCC(=O)CCCCCF 1458a_100000173376_100000729378 [0,2,0,0,0,0|2,0,0]=4 14204 B12R0.47 CSCCCC(=O)CCCCCO 1458a_100000173376_100000746330 [0,2,0,0,0,0|2,0,0]=4 14205 B12R0.47 CSCCCC(=O)NCCCCO 240690a_100000750430_100000173376 [0,2,0,0,0,0|2,0,0]=4 14206 B12R0.47 CSCCCC(=O)NCCCCO 527a_100000750430_100000173376 [0,2,0,0,0,0|2,0,0]=4 14207 B12R0.47 CSCCCNC(=O)CCCC#N 11a_100000749238_100000075515 [0,2,0,0,0,0|2,0,0]=4 14208 B12R0.47 CSCCCNC(=O)CCCC#N 1626a_100000749238_100000075515 [0,2,0,0,0,0|2,0,0]=4 14209 B12R0.47 CSCCCNC(=O)CCCC#N 240690a_100000749238_100000075515 [0,2,0,0,0,0|2,0,0]=4 14210 B12R0.47 CSCCCNC(=O)CCCC#N 527a_100000749238_100000075515 [0,2,0,0,0,0|2,0,0]=4 14211 B12R0.47 CSCCCNC(=O)CCCCO 1626a_100000749238_100000695505 [0,2,0,0,0,0|2,0,0]=4 14212 B12R0.47 CSCCCNC(=O)CCCSC 11a_100000749238_100000173376 [0,2,0,0,0,0|2,0,0]=4 14213 B12R0.47 CSCCCNC(=O)CCCSC 1626a_100000749238_100000173376 [0,2,0,0,0,0|2,0,0]=4 14214 B12R0.47 CSCCCNC(=O)CCCSC 240690a_100000749238_100000173376 [0,2,0,0,0,0|2,0,0]=4 14215 B12R0.47 CSCCCNC(=O)CCCSC 527a_100000749238_100000173376 [0,2,0,0,0,0|2,0,0]=4 14216 B12R0.47 CSCCCNC(=O)COCCO 1626a_100000749238_100000708028 [0,2,0,0,0,0|2,0,0]=4 14217 B12R0.47 CSCCCNC(=O)COCCO 240690a_100000749238_100000708028 [0,2,0,0,0,0|2,0,0]=4 14218 B12R0.47 CSCCCNC(=O)NCCCF 2708a_100000749238_100015189416 [0,2,0,0,0,0|2,0,0]=4 14219 B12R0.47 CSCCCNC(=O)NCCCF 2708a_100015189416_100000749238 [0,2,0,0,0,0|2,0,0]=4 14220 B12R0.47 CSCCCNC(=O)NCCCF 273464a_100000749238_100015189416 [0,2,0,0,0,0|2,0,0]=4 14221 B12R0.47 CSCCCNC(=O)NCCCF 273464a_100015189416_100000749238 [0,2,0,0,0,0|2,0,0]=4 14222 B12R0.47 CSCCCNC(=O)NCCCF 512a_100000749238_100015189416 [0,2,0,0,0,0|2,0,0]=4 14223 B12R0.47 CSCCCNC(=O)NCCCF 512a_100015189416_100000749238 [0,2,0,0,0,0|2,0,0]=4 14224 B12R0.47 CSCCCNC(=O)NCCCO 2708a_100000749238_100000182051 [0,2,0,0,0,0|2,0,0]=4 14225 B12R0.47 CSCCCNC(=O)NCCCO 273464a_100000182051_100000749238 [0,2,0,0,0,0|2,0,0]=4 14226 B12R0.47 CSCCCNC(=O)NCCCO 273464a_100000749238_100000182051 [0,2,0,0,0,0|2,0,0]=4 14227 B12R0.47 CSCCCNC(=O)NCCCO 512a_100000749238_100000182051 [0,2,0,0,0,0|2,0,0]=4 14228 B12R0.47 CSCCCNC(=O)NCCSC 2708a_100000749238_100020590264 [0,2,0,0,0,0|2,0,0]=4 14229 B12R0.47 CSCCCNC(=O)NCCSC 2708a_100020590264_100000749238 [0,2,0,0,0,0|2,0,0]=4 14230 B12R0.47 CSCCCNC(=O)NCCSC 273464a_100000749238_100020590264 [0,2,0,0,0,0|2,0,0]=4 14231 B12R0.47 CSCCCNC(=O)NCCSC 273464a_100020590264_100000749238 [0,2,0,0,0,0|2,0,0]=4 14232 B12R0.47 CSCCCNC(=O)NCCSC 512a_100000749238_100020590264 [0,2,0,0,0,0|2,0,0]=4 14233 B12R0.47 CSCCCNC(=O)NCCSC 512a_100020590264_100000749238 [0,2,0,0,0,0|2,0,0]=4 14234 B12R0.47 CSCCNC(=O)CCCCCO 240690a_100020590264_100102619762 [0,2,0,0,0,0|2,0,0]=4 14235 B12R0.47 CSCCNC(=O)NCCCCO 2708a_100000750430_100020590264 [0,2,0,0,0,0|2,0,0]=4 14236 B12R0.47 CSCCNC(=O)NCCCCO 2708a_100020590264_100000750430 [0,2,0,0,0,0|2,0,0]=4 14237 B12R0.47 CSCCNC(=O)NCCCCO 273464a_100000750430_100020590264 [0,2,0,0,0,0|2,0,0]=4 14238 B12R0.47 CSCCNC(=O)NCCCCO 273464a_100020590264_100000750430 [0,2,0,0,0,0|2,0,0]=4 14239 B12R0.47 CSCCNC(=O)NCCCCO 512a_100000750430_100020590264 [0,2,0,0,0,0|2,0,0]=4 14240 B12R0.47 CSCCNC(=O)NCCCCO 512a_100020590264_100000750430 [0,2,0,0,0,0|2,0,0]=4 14241 B12R0.47 N#CCCCC(=O)CCCCCF 1458a_100000075515_100000729378 [0,2,0,0,0,0|2,0,0]=4 14242 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100000075515_100000746330 [0,2,0,0,0,0|2,0,0]=4 14243 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100102619762_100000211468 [0,2,0,0,0,0|2,0,0]=4 14244 B12R0.47 N#CCCCC(=O)NCCCCO 240690a_100000750430_100000075515 [0,2,0,0,0,0|2,0,0]=4 14245 B12R0.47 N#CCCCC(=O)NCCCCO 527a_100000750430_100000075515 [0,2,0,0,0,0|2,0,0]=4 14246 B12R0.47 O=C(CCCCCF)COCCO 1458a_100000708028_100000729378 [0,2,0,0,0,0|2,0,0]=4 14247 B12R0.47 O=C(CCCCCO)COCCO 1458a_100000708028_100000746330 [0,2,0,0,0,0|2,0,0]=4 14248 B12R0.47 O=C(CCCCCO)NCCCF 240690a_100015189416_100102619762 [0,2,0,0,0,0|2,0,0]=4 14249 B12R0.47 O=C(CCCCCO)NCCCO 240690a_100000182051_100102619762 [0,2,0,0,0,0|2,0,0]=4 14250 B12R0.47 O=C(CCCCF)CCCCCO 1458a_100102619762_100000729493 [0,2,0,0,0,0|2,0,0]=4 14251 B12R0.47 O=C(CCCCO)CCCCCF 1458a_100000695505_100000729378 [0,2,0,0,0,0|2,0,0]=4 14252 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100000695505_100000746330 [0,2,0,0,0,0|2,0,0]=4 14253 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100102619762_100000210776 [0,2,0,0,0,0|2,0,0]=4 14254 B12R0.47 O=C(COCCO)NCCCCO 240690a_100000750430_100000708028 [0,2,0,0,0,0|2,0,0]=4 14255 B12R0.47 O=C(NCCCF)NCCCCO 2708a_100000750430_100015189416 [0,2,0,0,0,0|2,0,0]=4 14256 B12R0.47 O=C(NCCCF)NCCCCO 2708a_100015189416_100000750430 [0,2,0,0,0,0|2,0,0]=4 14257 B12R0.47 O=C(NCCCF)NCCCCO 273464a_100000750430_100015189416 [0,2,0,0,0,0|2,0,0]=4 14258 B12R0.47 O=C(NCCCF)NCCCCO 273464a_100015189416_100000750430 [0,2,0,0,0,0|2,0,0]=4 14259 B12R0.47 O=C(NCCCF)NCCCCO 512a_100000750430_100015189416 [0,2,0,0,0,0|2,0,0]=4 14260 B12R0.47 O=C(NCCCF)NCCCCO 512a_100015189416_100000750430 [0,2,0,0,0,0|2,0,0]=4 14261 B12R0.47 O=C(NCCCO)NCCCCO 2708a_100000750430_100000182051 [0,2,0,0,0,0|2,0,0]=4 14262 B12R0.47 O=C(NCCCO)NCCCCO 273464a_100000182051_100000750430 [0,2,0,0,0,0|2,0,0]=4 14263 B12R0.47 O=C(NCCCO)NCCCCO 273464a_100000750430_100000182051 [0,2,0,0,0,0|2,0,0]=4 14264 B12R0.47 O=C(NCCCO)NCCCCO 512a_100000750430_100000182051 [0,2,0,0,0,0|2,0,0]=4 14265 B12R0.95 C#CCCC(=O)CCCCC(C)C 1458a_100000692101_100011216152 [0,2,0,0,0,0|1,0,1]=4 14266 B12R0.95 C#CCCC(=O)CCCCC(C)C 1458a_100011933920_100000753159 [0,2,0,0,0,0|1,0,1]=4 14267 B12R0.95 C#CCCC(=O)NCCCC(C)C 11a_200000737386_100000692101 [0,2,0,0,0,0|1,0,1]=4 14268 B12R0.95 C#CCCC(=O)NCCCC(C)C 1626a_200000737386_100000692101 [0,2,0,0,0,0|1,0,1]=4 14269 B12R0.95 C#CCCC(=O)NCCCC(C)C 240690a_200000737386_100000692101 [0,2,0,0,0,0|1,0,1]=4 14270 B12R0.95 C#CCCC(=O)NCCCC(C)C 527a_200000737386_100000692101 [0,2,0,0,0,0|1,0,1]=4 14271 B12R0.95 C/C=C/CC(=O)CCCCC(C)C 1458a_100011933920_100102629194 [0,2,0,0,0,0|1,0,1]=4 14272 B12R0.95 C=C(C)COCOC(=O)OCCC 34a_100000210245_200000139673 [0,2,0,0,0,0|1,0,1]=4 14273 B12R0.95 C=C(C)CSCOC(=O)OCCC 62a_100000748629_200000139673 [0,2,0,0,0,0|1,0,1]=4 14274 B12R0.95 C=CCCC(=O)CCCCC(C)C 1458a_100000749702_100011216152 [0,2,0,0,0,0|1,0,1]=4 14275 B12R0.95 C=CCCC(=O)CCCCC(C)C 1458a_100011933920_100000754431 [0,2,0,0,0,0|1,0,1]=4 14276 B12R0.95 C=CCCC(=O)NCCCC(C)C 11a_200000737386_100000749702 [0,2,0,0,0,0|1,0,1]=4 14277 B12R0.95 C=CCCC(=O)NCCCC(C)C 1626a_200000737386_100000749702 [0,2,0,0,0,0|1,0,1]=4 14278 B12R0.95 C=CCCC(=O)NCCCC(C)C 240690a_200000737386_100000749702 [0,2,0,0,0,0|1,0,1]=4 14279 B12R0.95 C=CCCC(=O)NCCCC(C)C 527a_200000737386_100000749702 [0,2,0,0,0,0|1,0,1]=4 14280 B12R0.95 CC#CCC(=O)CCCCC(C)C 1458a_100011933920_100000748600 [0,2,0,0,0,0|1,0,1]=4 14281 B12R0.95 CC(C)CCCCC(=O)CCC#N 1458a_100011933920_100011215226 [0,2,0,0,0,0|1,0,1]=4 14282 B12R0.95 CC(C)CCCCC(=O)CCC#N 1458a_100011934036_100011216152 [0,2,0,0,0,0|1,0,1]=4 14283 B12R0.95 CC(C)CCCCC(=O)CCCF 1458a_100011933920_100011934791 [0,2,0,0,0,0|1,0,0]=3 14284 B12R0.95 CC(C)CCCCC(=O)CCCO 1458a_100011933920_100011215043 [0,2,0,0,0,0|1,0,0]=3 14285 B12R0.95 CC(C)CCCCC(=O)NCCF 11a_100000724931_100011933920 [0,2,0,0,0,0|2,0,0]=4 14286 B12R0.95 CC(C)CCCCC(=O)NCCF 1626a_100000724931_100011933920 [0,2,0,0,0,0|2,0,0]=4 14287 B12R0.95 CC(C)CCCCC(=O)NCCF 240690a_100000724931_100011933920 [0,2,0,0,0,0|2,0,0]=4 14288 B12R0.95 CC(C)CCCCC(=O)NCCF 527a_100000724931_100011933920 [0,2,0,0,0,0|2,0,0]=4 14289 B12R0.95 CC(C)CCCCC(=O)NCCO 240690a_100000210304_100011933920 [0,2,0,0,0,0|2,0,0]=4 14290 B12R0.95 CC(C)CCCCC(=O)NCCO 527a_100000210304_100011933920 [0,2,0,0,0,0|2,0,0]=4 14291 B12R0.95 CC(C)CCCNC(=O)CCC#N 11a_200000737386_100011934036 [0,2,0,0,0,0|1,0,1]=4 14292 B12R0.95 CC(C)CCCNC(=O)CCC#N 1626a_200000737386_100011934036 [0,2,0,0,0,0|1,0,1]=4 14293 B12R0.95 CC(C)CCCNC(=O)CCC#N 240690a_200000737386_100011934036 [0,2,0,0,0,0|1,0,1]=4 14294 B12R0.95 CC(C)CCCNC(=O)CCC#N 527a_200000737386_100011934036 [0,2,0,0,0,0|1,0,1]=4 14295 B12R0.95 CC(C)CCCNC(=O)NCCF 2708a_200000737386_100000724931 [0,2,0,0,0,0|2,0,0]=4 14296 B12R0.95 CC(C)CCCNC(=O)NCCF 273464a_100000724931_200000737386 [0,2,0,0,0,0|2,0,0]=4 14297 B12R0.95 CC(C)CCCNC(=O)NCCF 273464a_200000737386_100000724931 [0,2,0,0,0,0|2,0,0]=4 14298 B12R0.95 CC(C)CCCNC(=O)NCCF 512a_200000737386_100000724931 [0,2,0,0,0,0|2,0,0]=4 14299 B12R0.95 CC(C)CCCNC(=O)NCCO 2708a_200000737386_100000210304 [0,2,0,0,0,0|2,0,0]=4 14300 B12R0.95 CC(C)CCCNC(=O)NCCO 273464a_100000210304_200000737386 [0,2,0,0,0,0|2,0,0]=4 14301 B12R0.95 CC(C)CCCNC(=O)NCCO 273464a_200000737386_100000210304 [0,2,0,0,0,0|2,0,0]=4 14302 B12R0.95 CC(C)CCCNC(=O)NCCO 512a_200000737386_100000210304 [0,2,0,0,0,0|2,0,0]=4 14303 B12R0.95 CC(C)CCCOC(C)CCCCl 34a_200000718107_100011214892 [0,2,0,0,0,0|1,0,1]=4 14304 B12R0.95 CC(C)CCCOC(C)CCCCl 7a_200000718107_100011214892 [0,2,0,0,0,0|1,0,1]=4 14305 B12R0.95 CC(O)CCCOC(C)CCCCl 34a_200000718107_200000718107 [0,2,0,0,0,0|1,0,1]=4 14306 B12R0.95 CC(O)CCCOC(C)CCCCl 7a_200000718107_200000718107 [0,2,0,0,0,0|1,0,1]=4 14307 B12R0.95 CC=CCC(=O)CCCCC(C)C 1458a_100011933920_100000070051 [0,2,0,0,0,0|1,0,1]=4 14308 B12R0.95 CC=CCC(=O)CCCCC(C)C 1458a_100121576822_100011216152 [0,2,0,0,0,0|1,0,1]=4 14309 B12R0.95 CC=CCC(=O)NCCCC(C)C 11a_200000737386_100121576822 [0,2,0,0,0,0|1,0,1]=4 14310 B12R0.95 CC=CCC(=O)NCCCC(C)C 1626a_200000737386_100121576822 [0,2,0,0,0,0|1,0,1]=4 14311 B12R0.95 CC=CCC(=O)NCCCC(C)C 240690a_200000737386_100121576822 [0,2,0,0,0,0|1,0,1]=4 14312 B12R0.95 CC=CCC(=O)NCCCC(C)C 527a_200000737386_100121576822 [0,2,0,0,0,0|1,0,1]=4 14313 B12R0.95 CCC#CC(=O)CCCCC(C)C 1458a_100011827653_100011216152 [0,2,0,0,0,0|1,0,1]=4 14314 B12R0.95 CCC=CC(=O)CCCCC(C)C 1458a_100000212282_100011216152 [0,2,0,0,0,0|1,0,1]=4 14315 B12R0.95 CCC=CC(=O)NCCCC(C)C 11a_200000737386_100000212282 [0,2,0,0,0,0|1,0,1]=4 14316 B12R0.95 CCC=CC(=O)NCCCC(C)C 1626a_200000737386_100000212282 [0,2,0,0,0,0|1,0,1]=4 14317 B12R0.95 CCC=CC(=O)NCCCC(C)C 240690a_200000737386_100000212282 [0,2,0,0,0,0|1,0,1]=4 14318 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [0,2,0,0,0,0|1,0,1]=4 14319 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100000210183_100011216152 [0,2,0,0,0,0|1,0,0]=3 14320 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210211 [0,2,0,0,0,0|1,0,0]=3 14321 B12R0.95 CCCCC(=O)NCCCC(C)C 11a_200000737386_100000210183 [0,2,0,0,0,0|1,0,0]=3 14322 B12R0.95 CCCCC(=O)NCCCC(C)C 1626a_200000737386_100000210183 [0,2,0,0,0,0|1,0,0]=3 14323 B12R0.95 CCCCC(=O)NCCCC(C)C 240690a_200000737386_100000210183 [0,2,0,0,0,0|1,0,0]=3 14324 B12R0.95 CCCCC(=O)NCCCC(C)C 527a_200000737386_100000210183 [0,2,0,0,0,0|1,0,0]=3 14325 B12R0.95 CCCCC(=O)NCCCN(C)C 240690a_102531767803_100000210183 [0,2,0,0,0,0|2,0,0]=4 14326 B12R0.95 CCCCC(=O)NCCCN(C)C 527a_102531767803_100000210183 [0,2,0,0,0,0|2,0,0]=4 14327 B12R0.95 CCCCC(=O)NCCCS(=O)C 11a_200000753449_100000210183 [0,2,0,0,0,0|2,0,0]=4 14328 B12R0.95 CCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000210183 [0,2,0,0,0,0|2,0,0]=4 14329 B12R0.95 CCCCC(=O)NCCCS(=O)C 527a_200000753449_100000210183 [0,2,0,0,0,0|2,0,0]=4 14330 B12R0.95 CCCCC(=O)NCCOC(C)C 11a_100000701111_100000210183 [0,2,0,0,0,0|2,0,0]=4 14331 B12R0.95 CCCCC(=O)NCCOC(C)C 1626a_100000701111_100000210183 [0,2,0,0,0,0|2,0,0]=4 14332 B12R0.95 CCCCC(=O)NCCOC(C)C 240690a_100000701111_100000210183 [0,2,0,0,0,0|2,0,0]=4 14333 B12R0.95 CCCCC(=O)NCCOC(C)C 527a_100000701111_100000210183 [0,2,0,0,0,0|2,0,0]=4 14334 B12R0.95 CCCCC(=O)NCCSC(C)C 11a_100000731138_100000210183 [0,2,0,0,0,0|2,0,0]=4 14335 B12R0.95 CCCCC(=O)NCCSC(C)C 1626a_100000731138_100000210183 [0,2,0,0,0,0|2,0,0]=4 14336 B12R0.95 CCCCC(=O)NCCSC(C)C 240690a_100000731138_100000210183 [0,2,0,0,0,0|2,0,0]=4 14337 B12R0.95 CCCCC(=O)NCCSC(C)C 527a_100000731138_100000210183 [0,2,0,0,0,0|2,0,0]=4 14338 B12R0.95 CCCCC(C)OCCCC(C)C 34a_100000210774_200011215066 [0,2,0,0,0,0|1,0,1]=4 14339 B12R0.95 CCCCC(C)OCCCC(C)C 34a_100000687866_100011214892 [0,2,0,0,0,0|1,0,1]=4 14340 B12R0.95 CCCCC(C)OCCCC(C)C 7a_100000210774_200011215066 [0,2,0,0,0,0|1,0,1]=4 14341 B12R0.95 CCCCC(C)OCCCC(C)C 7a_100000687866_100011214892 [0,2,0,0,0,0|1,0,1]=4 14342 B12R0.95 CCCCC(C)OCCCC(C)O 34a_100000687866_200000718107 [0,2,0,0,0,0|1,0,1]=4 14343 B12R0.95 CCCCC(C)OCCCC(C)O 7a_100000687866_200000718107 [0,2,0,0,0,0|1,0,1]=4 14344 B12R0.95 CCCNC(=O)CCCCC(C)C 11a_100020643023_100011933920 [0,2,0,0,0,0|1,0,0]=3 14345 B12R0.95 CCCNC(=O)CCCCC(C)C 1626a_100020643023_100011933920 [0,2,0,0,0,0|1,0,0]=3 14346 B12R0.95 CCCNC(=O)CCCCC(C)C 240690a_100020643023_100011933920 [0,2,0,0,0,0|1,0,0]=3 14347 B12R0.95 CCCNC(=O)CCCCC(C)C 527a_100020643023_100011933920 [0,2,0,0,0,0|1,0,0]=3 14348 B12R0.95 CCCNC(=O)CCCCN(C)C 11a_100020643023_100000751710 [0,2,0,0,0,0|2,0,0]=4 14349 B12R0.95 CCCNC(=O)CCCCN(C)C 240690a_100020643023_100000751710 [0,2,0,0,0,0|2,0,0]=4 14350 B12R0.95 CCCNC(=O)CCCCN(C)C 527a_100020643023_100000751710 [0,2,0,0,0,0|2,0,0]=4 14351 B12R0.95 CCCNC(=O)CCCNC(C)C 2230a_100138425928_100011194427 [0,2,0,0,0,0|2,0,0]=4 14352 B12R0.95 CCCNC(=O)CCCSC(C)C 62a_100000210206_100011194427 [0,2,0,0,0,0|2,0,0]=4 14353 B12R0.95 CCCNC(=O)CCCSC(C)C 62a_100011194427_100000210206 [0,2,0,0,0,0|2,0,0]=4 14354 B12R0.95 CCCNC(=O)CNCCC(C)C 2230a_100000174927_100000210312 [0,2,0,0,0,0|2,0,0]=4 14355 B12R0.95 CCCNC(=O)CNCCC(C)C 269862a_100000174927_100000185833 [0,2,0,0,0,0|2,0,0]=4 14356 B12R0.95 CCCNC(=O)CNCCC(C)O 2230a_100000174927_100012276601 [0,2,0,0,0,0|2,0,0]=4 14357 B12R0.95 CCCNC(=O)CNCCC(C)O 2230a_200000755665_100000183358 [0,2,0,0,0,0|2,0,0]=4 14358 B12R0.95 CCCNC(=O)COCCC(C)Br 34a_100009893172_100000183358 [0,2,0,0,0,0|2,0,0]=4 14359 B12R0.95 CCCNC(=O)COCCC(C)C 34a_100000210254_100000183358 [0,2,0,0,0,0|2,0,0]=4 14360 B12R0.95 CCCNC(=O)COCCC(C)C 7a_100000210254_100000183358 [0,2,0,0,0,0|2,0,0]=4 14361 B12R0.95 CCCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183358 [0,2,0,0,0,0|2,0,0]=4 14362 B12R0.95 CCCNC(=O)CSCCC(C)C 62a_100000183358_100000210312 [0,2,0,0,0,0|2,0,0]=4 14363 B12R0.95 CCCNC(=O)CSCCC(C)C 62a_100000210312_100000183358 [0,2,0,0,0,0|2,0,0]=4 14364 B12R0.95 CCCNC(=O)CSCCC(C)O 62a_100000183358_100012276601 [0,2,0,0,0,0|2,0,0]=4 14365 B12R0.95 CCCNC(=O)CSCCC(C)O 62a_100012276601_100000183358 [0,2,0,0,0,0|2,0,0]=4 14366 B12R0.95 CCCNC(=O)NCCCC(C)C 2708a_100020643023_200000737386 [0,2,0,0,0,0|1,0,0]=3 14367 B12R0.95 CCCNC(=O)NCCCC(C)C 2708a_200000737386_100020643023 [0,2,0,0,0,0|1,0,0]=3 14368 B12R0.95 CCCNC(=O)NCCCC(C)C 273464a_100020643023_200000737386 [0,2,0,0,0,0|1,0,0]=3 14369 B12R0.95 CCCNC(=O)NCCCC(C)C 273464a_200000737386_100020643023 [0,2,0,0,0,0|1,0,0]=3 14370 B12R0.95 CCCNC(=O)NCCCC(C)C 512a_100020643023_200000737386 [0,2,0,0,0,0|1,0,0]=3 14371 B12R0.95 CCCNC(=O)NCCCC(C)C 512a_200000737386_100020643023 [0,2,0,0,0,0|1,0,0]=3 14372 B12R0.95 CCCNC(=O)NCCCN(C)C 2708a_100020643023_102531767803 [0,2,0,0,0,0|2,0,0]=4 14373 B12R0.95 CCCNC(=O)NCCCN(C)C 273464a_100020643023_102531767803 [0,2,0,0,0,0|2,0,0]=4 14374 B12R0.95 CCCNC(=O)NCCCN(C)C 273464a_102531767803_100020643023 [0,2,0,0,0,0|2,0,0]=4 14375 B12R0.95 CCCNC(=O)NCCCN(C)C 512a_100020643023_102531767803 [0,2,0,0,0,0|2,0,0]=4 14376 B12R0.95 CCCNC(=O)NCCCN(C)C 512a_102531767803_100020643023 [0,2,0,0,0,0|2,0,0]=4 14377 B12R0.95 CCCNC(=O)NCCCS(=O)C 2708a_100020643023_200000753449 [0,2,0,0,0,0|2,0,0]=4 14378 B12R0.95 CCCNC(=O)NCCCS(=O)C 2708a_200000753449_100020643023 [0,2,0,0,0,0|2,0,0]=4 14379 B12R0.95 CCCNC(=O)NCCCS(=O)C 273464a_100020643023_200000753449 [0,2,0,0,0,0|2,0,0]=4 14380 B12R0.95 CCCNC(=O)NCCCS(=O)C 273464a_200000753449_100020643023 [0,2,0,0,0,0|2,0,0]=4 14381 B12R0.95 CCCNC(=O)NCCCS(=O)C 512a_100020643023_200000753449 [0,2,0,0,0,0|2,0,0]=4 14382 B12R0.95 CCCNC(=O)NCCCS(=O)C 512a_200000753449_100020643023 [0,2,0,0,0,0|2,0,0]=4 14383 B12R0.95 CCCNC(=O)NCCOC(C)C 2708a_100000701111_100020643023 [0,2,0,0,0,0|2,0,0]=4 14384 B12R0.95 CCCNC(=O)NCCOC(C)C 2708a_100020643023_100000701111 [0,2,0,0,0,0|2,0,0]=4 14385 B12R0.95 CCCNC(=O)NCCOC(C)C 273464a_100000701111_100020643023 [0,2,0,0,0,0|2,0,0]=4 14386 B12R0.95 CCCNC(=O)NCCOC(C)C 273464a_100020643023_100000701111 [0,2,0,0,0,0|2,0,0]=4 14387 B12R0.95 CCCNC(=O)NCCOC(C)C 512a_100000701111_100020643023 [0,2,0,0,0,0|2,0,0]=4 14388 B12R0.95 CCCNC(=O)NCCOC(C)C 512a_100020643023_100000701111 [0,2,0,0,0,0|2,0,0]=4 14389 B12R0.95 CCCNC(=O)NCCSC(C)C 2708a_100000731138_100020643023 [0,2,0,0,0,0|2,0,0]=4 14390 B12R0.95 CCCNC(=O)NCCSC(C)C 2708a_100020643023_100000731138 [0,2,0,0,0,0|2,0,0]=4 14391 B12R0.95 CCCNC(=O)NCCSC(C)C 273464a_100000731138_100020643023 [0,2,0,0,0,0|2,0,0]=4 14392 B12R0.95 CCCNC(=O)NCCSC(C)C 273464a_100020643023_100000731138 [0,2,0,0,0,0|2,0,0]=4 14393 B12R0.95 CCCNC(=O)NCCSC(C)C 512a_100000731138_100020643023 [0,2,0,0,0,0|2,0,0]=4 14394 B12R0.95 CCCNC(=O)NCCSC(C)C 512a_100020643023_100000731138 [0,2,0,0,0,0|2,0,0]=4 14395 B12R0.95 CCCOC(=O)CNCCC(C)O 2230a_200000755665_200011215008 [0,2,0,0,0,0|2,0,0]=4 14396 B12R0.95 CCCOC(=O)COCCC(C)Br 34a_100009893172_200011215008 [0,2,0,0,0,0|2,0,0]=4 14397 B12R0.95 CCCOC(=O)COCCC(C)C 34a_100000210254_200011215008 [0,2,0,0,0,0|2,0,0]=4 14398 B12R0.95 CCCOC(=O)COCCC(C)C 7a_100000210254_200011215008 [0,2,0,0,0,0|2,0,0]=4 14399 B12R0.95 CCCOC(=O)COCC[C@@H](C)N 34a_100000706166_200011215008 [0,2,0,0,0,0|2,0,0]=4 14400 B12R0.95 CCCOC(=O)CSCCC(C)C 62a_100000210312_200011215008 [0,2,0,0,0,0|2,0,0]=4 14401 B12R0.95 CCCOC(=O)CSCCC(C)C 62a_200011215008_100000210312 [0,2,0,0,0,0|2,0,0]=4 14402 B12R0.95 CCCOC(=O)CSCCC(C)O 62a_100012276601_200011215008 [0,2,0,0,0,0|2,0,0]=4 14403 B12R0.95 CCCOC(=O)CSCCC(C)O 62a_200011215008_100012276601 [0,2,0,0,0,0|2,0,0]=4 14404 B12R0.95 CCCOC(=O)OCNCC(C)C 34a_100000210953_200000139673 [0,2,0,0,0,0|1,0,0]=3 14405 B12R0.95 CCCOC(=O)OCNCC(C)O 34a_100000210904_200000139673 [0,2,0,0,0,0|1,0,0]=3 14406 B12R0.95 CCCOC(=O)OCNCC(F)F 34a_100000765723_200000139673 [0,2,0,0,0,0|2,0,0]=4 14407 B12R0.95 CCCOC(=O)OCOCC(=O)C 34a_100000211253_200000139673 [0,2,0,0,0,0|1,0,1]=4 14408 B12R0.95 CCCOC(=O)OCOCC(C)Br 34a_100012180447_200000139673 [0,2,0,0,0,0|1,0,0]=3 14409 B12R0.95 CCCOC(=O)OCOCC(C)C 34a_100000210257_200000139673 [0,2,0,0,0,0|1,0,0]=3 14410 B12R0.95 CCCOC(=O)OCOCC(C)F 34a_100015925927_200000139673 [0,2,0,0,0,0|1,0,0]=3 14411 B12R0.95 CCCOC(=O)OCOCC(F)F 34a_100000743014_200000139673 [0,2,0,0,0,0|2,0,0]=4 14412 B12R0.95 CCCOC(=O)OCOC[C@@H](C)Cl 34a_100016084084_200000139673 [0,2,0,0,0,0|1,0,0]=3 14413 B12R0.95 CCCOC(=O)OCOC[C@@H](C)N 34a_100000737577_200000139673 [0,2,0,0,0,0|1,0,0]=3 14414 B12R0.95 CCCOC(=O)OCSCC(C)C 62a_100000210624_200000139673 [0,2,0,0,0,0|1,0,0]=3 14415 B12R0.95 CCCOC(=O)OCSCC(C)O 62a_100011218427_200000139673 [0,2,0,0,0,0|1,0,0]=3 14416 B12R0.95 CCCOC(=O)OCSCC(F)F 62a_100011934356_200000139673 [0,2,0,0,0,0|2,0,0]=4 14417 B12R0.95 CCCOC(=O)OCSC[C@@H](C)O 62a_100009817552_200000139673 [0,2,0,0,0,0|1,0,0]=3 14418 B12R0.95 CCNNC(=O)CCCCC(C)C 22a_100000756455_100011933920 [0,2,0,0,0,0|2,0,0]=4 14419 B12R0.95 CCNNC(=O)NCCCC(C)C 273464a_200000737386_100000756455 [0,2,0,0,0,0|2,0,0]=4 14420 B12R0.95 CCNNC(=O)NCCCC(C)C 512a_100000756455_200000737386 [0,2,0,0,0,0|2,0,0]=4 14421 B12R0.95 CCNNC(=O)NCCCC(C)C 512a_200000737386_100000756455 [0,2,0,0,0,0|2,0,0]=4 14422 B12R0.95 CCOCC(=O)CCCCC(=O)C 1458a_100000211967_100000735457 [0,2,0,0,0,0|1,0,1]=4 14423 B12R0.95 CCOCC(=O)CCCCC(C)C 1458a_100000211967_100011216152 [0,2,0,0,0,0|1,0,0]=3 14424 B12R0.95 CCOCC(=O)NCCCC(C)C 11a_200000737386_100000211967 [0,2,0,0,0,0|1,0,0]=3 14425 B12R0.95 CCOCC(=O)NCCCC(C)C 1626a_200000737386_100000211967 [0,2,0,0,0,0|1,0,0]=3 14426 B12R0.95 CCOCC(=O)NCCCC(C)C 240690a_200000737386_100000211967 [0,2,0,0,0,0|1,0,0]=3 14427 B12R0.95 CCOCC(=O)NCCCC(C)C 527a_200000737386_100000211967 [0,2,0,0,0,0|1,0,0]=3 14428 B12R0.95 CCOCC(=O)NCCCN(C)C 240690a_102531767803_100000211967 [0,2,0,0,0,0|2,0,0]=4 14429 B12R0.95 CCOCC(=O)NCCCN(C)C 527a_102531767803_100000211967 [0,2,0,0,0,0|2,0,0]=4 14430 B12R0.95 CCOCC(=O)NCCCS(=O)C 11a_200000753449_100000211967 [0,2,0,0,0,0|2,0,0]=4 14431 B12R0.95 CCOCC(=O)NCCCS(=O)C 240690a_200000753449_100000211967 [0,2,0,0,0,0|2,0,0]=4 14432 B12R0.95 CCOCC(=O)NCCCS(=O)C 527a_200000753449_100000211967 [0,2,0,0,0,0|2,0,0]=4 14433 B12R0.95 CCOCC(=O)NCCOC(C)C 11a_100000701111_100000211967 [0,2,0,0,0,0|2,0,0]=4 14434 B12R0.95 CCOCC(=O)NCCOC(C)C 1626a_100000701111_100000211967 [0,2,0,0,0,0|2,0,0]=4 14435 B12R0.95 CCOCC(=O)NCCOC(C)C 240690a_100000701111_100000211967 [0,2,0,0,0,0|2,0,0]=4 14436 B12R0.95 CCOCC(=O)NCCOC(C)C 527a_100000701111_100000211967 [0,2,0,0,0,0|2,0,0]=4 14437 B12R0.95 CCOCC(=O)NCCSC(C)C 11a_100000731138_100000211967 [0,2,0,0,0,0|2,0,0]=4 14438 B12R0.95 CCOCC(=O)NCCSC(C)C 1626a_100000731138_100000211967 [0,2,0,0,0,0|2,0,0]=4 14439 B12R0.95 CCOCC(=O)NCCSC(C)C 240690a_100000731138_100000211967 [0,2,0,0,0,0|2,0,0]=4 14440 B12R0.95 CCOCC(=O)NCCSC(C)C 527a_100000731138_100000211967 [0,2,0,0,0,0|2,0,0]=4 14441 B12R0.95 CCOCC(C)OCCCC(C)C 34a_100000718985_100011214892 [0,2,0,0,0,0|1,0,1]=4 14442 B12R0.95 CCOCC(C)OCCCC(C)C 7a_100000718985_100011214892 [0,2,0,0,0,0|1,0,1]=4 14443 B12R0.95 CCOCC(C)OCCCC(C)O 34a_100000718985_200000718107 [0,2,0,0,0,0|1,0,1]=4 14444 B12R0.95 CCOCC(C)OCCCC(C)O 7a_100000718985_200000718107 [0,2,0,0,0,0|1,0,1]=4 14445 B12R0.95 CCSCC(=O)CCCCC(=O)C 1458a_100000230394_100000735457 [0,2,0,0,0,0|1,0,1]=4 14446 B12R0.95 CCSCC(=O)CCCCC(C)C 1458a_100000230394_100011216152 [0,2,0,0,0,0|1,0,0]=3 14447 B12R0.95 CCSCC(=O)NCCCC(C)C 11a_200000737386_100000230394 [0,2,0,0,0,0|1,0,0]=3 14448 B12R0.95 CCSCC(=O)NCCCC(C)C 1626a_200000737386_100000230394 [0,2,0,0,0,0|1,0,0]=3 14449 B12R0.95 CCSCC(=O)NCCCC(C)C 240690a_200000737386_100000230394 [0,2,0,0,0,0|1,0,0]=3 14450 B12R0.95 CCSCC(=O)NCCCC(C)C 527a_200000737386_100000230394 [0,2,0,0,0,0|1,0,0]=3 14451 B12R0.95 CCSCC(=O)NCCCN(C)C 240690a_102531767803_100000230394 [0,2,0,0,0,0|2,0,0]=4 14452 B12R0.95 CCSCC(=O)NCCCN(C)C 527a_102531767803_100000230394 [0,2,0,0,0,0|2,0,0]=4 14453 B12R0.95 CCSCC(=O)NCCCS(=O)C 11a_200000753449_100000230394 [0,2,0,0,0,0|2,0,0]=4 14454 B12R0.95 CCSCC(=O)NCCCS(=O)C 240690a_200000753449_100000230394 [0,2,0,0,0,0|2,0,0]=4 14455 B12R0.95 CCSCC(=O)NCCCS(=O)C 527a_200000753449_100000230394 [0,2,0,0,0,0|2,0,0]=4 14456 B12R0.95 CCSCC(=O)NCCOC(C)C 11a_100000701111_100000230394 [0,2,0,0,0,0|2,0,0]=4 14457 B12R0.95 CCSCC(=O)NCCOC(C)C 1626a_100000701111_100000230394 [0,2,0,0,0,0|2,0,0]=4 14458 B12R0.95 CCSCC(=O)NCCOC(C)C 240690a_100000701111_100000230394 [0,2,0,0,0,0|2,0,0]=4 14459 B12R0.95 CCSCC(=O)NCCOC(C)C 527a_100000701111_100000230394 [0,2,0,0,0,0|2,0,0]=4 14460 B12R0.95 CCSCC(=O)NCCSC(C)C 11a_100000731138_100000230394 [0,2,0,0,0,0|2,0,0]=4 14461 B12R0.95 CCSCC(=O)NCCSC(C)C 1626a_100000731138_100000230394 [0,2,0,0,0,0|2,0,0]=4 14462 B12R0.95 CCSCC(=O)NCCSC(C)C 240690a_100000731138_100000230394 [0,2,0,0,0,0|2,0,0]=4 14463 B12R0.95 CCSCC(=O)NCCSC(C)C 527a_100000731138_100000230394 [0,2,0,0,0,0|2,0,0]=4 14464 B12R0.95 COCCC(=O)CCCCC(=O)C 1458a_100000749529_100000735457 [0,2,0,0,0,0|1,0,1]=4 14465 B12R0.95 COCCC(=O)CCCCC(C)C 1458a_100000749529_100011216152 [0,2,0,0,0,0|1,0,0]=3 14466 B12R0.95 COCCC(=O)CCCCC(C)C 1458a_100011933920_100000233755 [0,2,0,0,0,0|1,0,0]=3 14467 B12R0.95 COCCC(=O)NCCCC(C)C 11a_200000737386_100000749529 [0,2,0,0,0,0|1,0,0]=3 14468 B12R0.95 COCCC(=O)NCCCC(C)C 1626a_200000737386_100000749529 [0,2,0,0,0,0|1,0,0]=3 14469 B12R0.95 COCCC(=O)NCCCC(C)C 240690a_200000737386_100000749529 [0,2,0,0,0,0|1,0,0]=3 14470 B12R0.95 COCCC(=O)NCCCC(C)C 527a_200000737386_100000749529 [0,2,0,0,0,0|1,0,0]=3 14471 B12R0.95 COCCC(=O)NCCCN(C)C 240690a_102531767803_100000749529 [0,2,0,0,0,0|2,0,0]=4 14472 B12R0.95 COCCC(=O)NCCCN(C)C 527a_102531767803_100000749529 [0,2,0,0,0,0|2,0,0]=4 14473 B12R0.95 COCCC(=O)NCCCS(=O)C 11a_200000753449_100000749529 [0,2,0,0,0,0|2,0,0]=4 14474 B12R0.95 COCCC(=O)NCCCS(=O)C 240690a_200000753449_100000749529 [0,2,0,0,0,0|2,0,0]=4 14475 B12R0.95 COCCC(=O)NCCCS(=O)C 527a_200000753449_100000749529 [0,2,0,0,0,0|2,0,0]=4 14476 B12R0.95 COCCC(=O)NCCOC(C)C 11a_100000701111_100000749529 [0,2,0,0,0,0|2,0,0]=4 14477 B12R0.95 COCCC(=O)NCCOC(C)C 1626a_100000701111_100000749529 [0,2,0,0,0,0|2,0,0]=4 14478 B12R0.95 COCCC(=O)NCCOC(C)C 240690a_100000701111_100000749529 [0,2,0,0,0,0|2,0,0]=4 14479 B12R0.95 COCCC(=O)NCCOC(C)C 527a_100000701111_100000749529 [0,2,0,0,0,0|2,0,0]=4 14480 B12R0.95 COCCC(=O)NCCSC(C)C 11a_100000731138_100000749529 [0,2,0,0,0,0|2,0,0]=4 14481 B12R0.95 COCCC(=O)NCCSC(C)C 1626a_100000731138_100000749529 [0,2,0,0,0,0|2,0,0]=4 14482 B12R0.95 COCCC(=O)NCCSC(C)C 240690a_100000731138_100000749529 [0,2,0,0,0,0|2,0,0]=4 14483 B12R0.95 COCCC(=O)NCCSC(C)C 527a_100000731138_100000749529 [0,2,0,0,0,0|2,0,0]=4 14484 B12R0.95 CSCCC(=O)CCCCC(=O)C 1458a_100000174002_100000735457 [0,2,0,0,0,0|1,0,1]=4 14485 B12R0.95 CSCCC(=O)CCCCC(C)C 1458a_100000174002_100011216152 [0,2,0,0,0,0|1,0,0]=3 14486 B12R0.95 CSCCC(=O)CCCCC(C)C 1458a_100011933920_100000751147 [0,2,0,0,0,0|1,0,0]=3 14487 B12R0.95 CSCCC(=O)NCCCC(C)C 11a_200000737386_100000174002 [0,2,0,0,0,0|1,0,0]=3 14488 B12R0.95 CSCCC(=O)NCCCC(C)C 1626a_200000737386_100000174002 [0,2,0,0,0,0|1,0,0]=3 14489 B12R0.95 CSCCC(=O)NCCCC(C)C 240690a_200000737386_100000174002 [0,2,0,0,0,0|1,0,0]=3 14490 B12R0.95 CSCCC(=O)NCCCC(C)C 527a_200000737386_100000174002 [0,2,0,0,0,0|1,0,0]=3 14491 B12R0.95 CSCCC(=O)NCCCN(C)C 240690a_102531767803_100000174002 [0,2,0,0,0,0|2,0,0]=4 14492 B12R0.95 CSCCC(=O)NCCCN(C)C 527a_102531767803_100000174002 [0,2,0,0,0,0|2,0,0]=4 14493 B12R0.95 CSCCC(=O)NCCCS(=O)C 11a_200000753449_100000174002 [0,2,0,0,0,0|2,0,0]=4 14494 B12R0.95 CSCCC(=O)NCCCS(=O)C 240690a_200000753449_100000174002 [0,2,0,0,0,0|2,0,0]=4 14495 B12R0.95 CSCCC(=O)NCCCS(=O)C 527a_200000753449_100000174002 [0,2,0,0,0,0|2,0,0]=4 14496 B12R0.95 CSCCC(=O)NCCOC(C)C 11a_100000701111_100000174002 [0,2,0,0,0,0|2,0,0]=4 14497 B12R0.95 CSCCC(=O)NCCOC(C)C 1626a_100000701111_100000174002 [0,2,0,0,0,0|2,0,0]=4 14498 B12R0.95 CSCCC(=O)NCCOC(C)C 240690a_100000701111_100000174002 [0,2,0,0,0,0|2,0,0]=4 14499 B12R0.95 CSCCC(=O)NCCOC(C)C 527a_100000701111_100000174002 [0,2,0,0,0,0|2,0,0]=4 14500 B12R0.95 CSCCC(=O)NCCSC(C)C 11a_100000731138_100000174002 [0,2,0,0,0,0|2,0,0]=4 14501 B12R0.95 CSCCC(=O)NCCSC(C)C 1626a_100000731138_100000174002 [0,2,0,0,0,0|2,0,0]=4 14502 B12R0.95 CSCCC(=O)NCCSC(C)C 240690a_100000731138_100000174002 [0,2,0,0,0,0|2,0,0]=4 14503 B12R0.95 CSCCC(=O)NCCSC(C)C 527a_100000731138_100000174002 [0,2,0,0,0,0|2,0,0]=4 14504 B12R0.102 C#CCCC(=O)NCCC(C)CC 11a_100020591266_100000692101 [0,2,0,0,0,0|1,0,1]=4 14505 B12R0.102 C#CCCC(=O)NCCC(C)CC 1626a_100020591266_100000692101 [0,2,0,0,0,0|1,0,1]=4 14506 B12R0.102 C#CCCC(=O)NCCC(C)CC 240690a_100020591266_100000692101 [0,2,0,0,0,0|1,0,1]=4 14507 B12R0.102 C#CCCC(=O)NCCC(C)CC 527a_100020591266_100000692101 [0,2,0,0,0,0|1,0,1]=4 14508 B12R0.102 C=CCCC(=O)NCCC(C)CC 11a_100020591266_100000749702 [0,2,0,0,0,0|1,0,1]=4 14509 B12R0.102 C=CCCC(=O)NCCC(C)CC 1626a_100020591266_100000749702 [0,2,0,0,0,0|1,0,1]=4 14510 B12R0.102 C=CCCC(=O)NCCC(C)CC 240690a_100020591266_100000749702 [0,2,0,0,0,0|1,0,1]=4 14511 B12R0.102 C=CCCC(=O)NCCC(C)CC 527a_100020591266_100000749702 [0,2,0,0,0,0|1,0,1]=4 14512 B12R0.102 CC=CCC(=O)NCCC(C)CC 11a_100020591266_100121576822 [0,2,0,0,0,0|1,0,1]=4 14513 B12R0.102 CC=CCC(=O)NCCC(C)CC 1626a_100020591266_100121576822 [0,2,0,0,0,0|1,0,1]=4 14514 B12R0.102 CC=CCC(=O)NCCC(C)CC 240690a_100020591266_100121576822 [0,2,0,0,0,0|1,0,1]=4 14515 B12R0.102 CC=CCC(=O)NCCC(C)CC 527a_100020591266_100121576822 [0,2,0,0,0,0|1,0,1]=4 14516 B12R0.102 CCC(C)CCNC(=O)CCC#N 11a_100020591266_100011934036 [0,2,0,0,0,0|1,0,1]=4 14517 B12R0.102 CCC(C)CCNC(=O)CCC#N 1626a_100020591266_100011934036 [0,2,0,0,0,0|1,0,1]=4 14518 B12R0.102 CCC(C)CCNC(=O)CCC#N 240690a_100020591266_100011934036 [0,2,0,0,0,0|1,0,1]=4 14519 B12R0.102 CCC(C)CCNC(=O)CCC#N 527a_100020591266_100011934036 [0,2,0,0,0,0|1,0,1]=4 14520 B12R0.102 CCC(C)CCNC(=O)CCOC 11a_100020591266_100000749529 [0,2,0,0,0,0|1,0,0]=3 14521 B12R0.102 CCC(C)CCNC(=O)CCOC 1626a_100020591266_100000749529 [0,2,0,0,0,0|1,0,0]=3 14522 B12R0.102 CCC(C)CCNC(=O)CCOC 240690a_100020591266_100000749529 [0,2,0,0,0,0|1,0,0]=3 14523 B12R0.102 CCC(C)CCNC(=O)CCOC 527a_100020591266_100000749529 [0,2,0,0,0,0|1,0,0]=3 14524 B12R0.102 CCC(C)CCNC(=O)CCSC 11a_100020591266_100000174002 [0,2,0,0,0,0|1,0,0]=3 14525 B12R0.102 CCC(C)CCNC(=O)CCSC 1626a_100020591266_100000174002 [0,2,0,0,0,0|1,0,0]=3 14526 B12R0.102 CCC(C)CCNC(=O)CCSC 240690a_100020591266_100000174002 [0,2,0,0,0,0|1,0,0]=3 14527 B12R0.102 CCC(C)CCNC(=O)CCSC 527a_100020591266_100000174002 [0,2,0,0,0,0|1,0,0]=3 14528 B12R0.102 CCC(C)CCNC(=O)NCCF 2708a_100020591266_100000724931 [0,2,0,0,0,0|2,0,0]=4 14529 B12R0.102 CCC(C)CCNC(=O)NCCF 273464a_100000724931_100020591266 [0,2,0,0,0,0|2,0,0]=4 14530 B12R0.102 CCC(C)CCNC(=O)NCCF 273464a_100020591266_100000724931 [0,2,0,0,0,0|2,0,0]=4 14531 B12R0.102 CCC(C)CCNC(=O)NCCF 512a_100020591266_100000724931 [0,2,0,0,0,0|2,0,0]=4 14532 B12R0.102 CCC(C)CCNC(=O)NCCO 2708a_100020591266_100000210304 [0,2,0,0,0,0|2,0,0]=4 14533 B12R0.102 CCC(C)CCNC(=O)NCCO 273464a_100000210304_100020591266 [0,2,0,0,0,0|2,0,0]=4 14534 B12R0.102 CCC(C)CCNC(=O)NCCO 273464a_100020591266_100000210304 [0,2,0,0,0,0|2,0,0]=4 14535 B12R0.102 CCC(C)CCNC(=O)NCCO 512a_100020591266_100000210304 [0,2,0,0,0,0|2,0,0]=4 14536 B12R0.102 CCC(O)CNNC(=O)CCOC 22a_100015206393_100000749529 [0,2,0,0,0,0|2,0,0]=4 14537 B12R0.102 CCC(O)CNNC(=O)CCSC 22a_100015206393_100000174002 [0,2,0,0,0,0|2,0,0]=4 14538 B12R0.102 CCC=CC(=O)NCCC(C)CC 11a_100020591266_100000212282 [0,2,0,0,0,0|1,0,1]=4 14539 B12R0.102 CCC=CC(=O)NCCC(C)CC 1626a_100020591266_100000212282 [0,2,0,0,0,0|1,0,1]=4 14540 B12R0.102 CCC=CC(=O)NCCC(C)CC 240690a_100020591266_100000212282 [0,2,0,0,0,0|1,0,1]=4 14541 B12R0.102 CCCCC(=O)CCCN(C)CC 1458a_100000210183_100015186262 [0,2,0,0,0,0|2,0,0]=4 14542 B12R0.102 CCCCC(=O)NCCC(C)CC 11a_100020591266_100000210183 [0,2,0,0,0,0|1,0,0]=3 14543 B12R0.102 CCCCC(=O)NCCC(C)CC 1626a_100020591266_100000210183 [0,2,0,0,0,0|1,0,0]=3 14544 B12R0.102 CCCCC(=O)NCCC(C)CC 240690a_100020591266_100000210183 [0,2,0,0,0,0|1,0,0]=3 14545 B12R0.102 CCCCC(=O)NCCC(C)CC 527a_100020591266_100000210183 [0,2,0,0,0,0|1,0,0]=3 14546 B12R0.102 CCCCC(=O)NCCC(C)CO 240690a_106354213184_100000210183 [0,2,0,0,0,0|2,0,0]=4 14547 B12R0.102 CCCCC(=O)NCCC(C)CO 527a_106354213184_100000210183 [0,2,0,0,0,0|2,0,0]=4 14548 B12R0.102 CCCCC(=O)NNCC(O)CC 22a_100015206393_100000210183 [0,2,0,0,0,0|2,0,0]=4 14549 B12R0.102 CCCCC(C)OCCC(C)CC 7a_100011215188_200011215066 [0,2,0,0,0,0|1,0,1]=4 14550 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000199544_100000210202 [0,2,0,0,0,0|1,0,1]=4 14551 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000210414_100011194427 [0,2,0,0,0,0|1,0,1]=4 14552 B12R0.102 CCCNC(=O)CCCN(C)CC 2230a_100000225621_100011194427 [0,2,0,0,0,0|2,0,0]=4 14553 B12R0.102 CCCNC(=O)CCCN(C)CC 269982a_100000225621_100011194427 [0,2,0,0,0,0|2,0,0]=4 14554 B12R0.102 CCCNC(=O)CNCC(C)CC 2230a_100000174927_100000748023 [0,2,0,0,0,0|2,0,0]=4 14555 B12R0.102 CCCNC(=O)CNCC(C)CC 2230a_100020588543_100000183358 [0,2,0,0,0,0|2,0,0]=4 14556 B12R0.102 CCCNC(=O)CNCC(C)CC 270004a_100000174927_100000243153 [0,2,0,0,0,0|2,0,0]=4 14557 B12R0.102 CCCNC(=O)CNCC(O)CC 2230a_100000174927_100011218378 [0,2,0,0,0,0|2,0,0]=4 14558 B12R0.102 CCCNC(=O)CNCC(O)CC 2230a_100011218483_100000183358 [0,2,0,0,0,0|2,0,0]=4 14559 B12R0.102 CCCNC(=O)CNC[C@@H](C)CC 2230a_100000174927_100009816398 [0,2,0,0,0,0|2,0,0]=4 14560 B12R0.102 CCCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183358 [0,2,0,0,0,0|2,0,0]=4 14561 B12R0.102 CCCNC(=O)CSCC(C)CC 62a_100000183358_100000748023 [0,2,0,0,0,0|2,0,0]=4 14562 B12R0.102 CCCNC(=O)CSCC(C)CC 62a_100000748023_100000183358 [0,2,0,0,0,0|2,0,0]=4 14563 B12R0.102 CCCNC(=O)CSCC(O)CC 62a_100000183358_100011218378 [0,2,0,0,0,0|2,0,0]=4 14564 B12R0.102 CCCNC(=O)CSCC(O)CC 62a_100011218378_100000183358 [0,2,0,0,0,0|2,0,0]=4 14565 B12R0.102 CCCNC(=O)CSC[C@@H](C)CC 62a_100000183358_100009816398 [0,2,0,0,0,0|2,0,0]=4 14566 B12R0.102 CCCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183358 [0,2,0,0,0,0|2,0,0]=4 14567 B12R0.102 CCCNC(=O)NCCC(C)CC 2708a_100020591266_100020643023 [0,2,0,0,0,0|1,0,0]=3 14568 B12R0.102 CCCNC(=O)NCCC(C)CC 2708a_100020643023_100020591266 [0,2,0,0,0,0|1,0,0]=3 14569 B12R0.102 CCCNC(=O)NCCC(C)CC 273464a_100020591266_100020643023 [0,2,0,0,0,0|1,0,0]=3 14570 B12R0.102 CCCNC(=O)NCCC(C)CC 273464a_100020643023_100020591266 [0,2,0,0,0,0|1,0,0]=3 14571 B12R0.102 CCCNC(=O)NCCC(C)CC 512a_100020591266_100020643023 [0,2,0,0,0,0|1,0,0]=3 14572 B12R0.102 CCCNC(=O)NCCC(C)CC 512a_100020643023_100020591266 [0,2,0,0,0,0|1,0,0]=3 14573 B12R0.102 CCCNC(=O)NCCC(C)CO 2708a_100020643023_106354213184 [0,2,0,0,0,0|2,0,0]=4 14574 B12R0.102 CCCNC(=O)NCCC(C)CO 273464a_100020643023_106354213184 [0,2,0,0,0,0|2,0,0]=4 14575 B12R0.102 CCCNC(=O)NCCC(C)CO 273464a_106354213184_100020643023 [0,2,0,0,0,0|2,0,0]=4 14576 B12R0.102 CCCNC(=O)NCCC(C)CO 512a_100020643023_106354213184 [0,2,0,0,0,0|2,0,0]=4 14577 B12R0.102 CCCNC(=O)NCCC(C)CO 512a_106354213184_100020643023 [0,2,0,0,0,0|2,0,0]=4 14578 B12R0.102 CCCNC(=O)NNCC(O)CC 273464a_100020643023_100015206393 [0,2,0,0,0,0|2,0,0]=4 14579 B12R0.102 CCCNC(=O)NNCC(O)CC 512a_100015206393_100020643023 [0,2,0,0,0,0|2,0,0]=4 14580 B12R0.102 CCCNC(=O)NNCC(O)CC 512a_100020643023_100015206393 [0,2,0,0,0,0|2,0,0]=4 14581 B12R0.102 CCCOC(=O)CNCC(C)CC 2230a_100020588543_200011215008 [0,2,0,0,0,0|2,0,0]=4 14582 B12R0.102 CCCOC(=O)CNCC(O)CC 2230a_100011218483_200011215008 [0,2,0,0,0,0|2,0,0]=4 14583 B12R0.102 CCCOC(=O)COC[C@@H](C)CC 7a_100009816381_200011215008 [0,2,0,0,0,0|2,0,0]=4 14584 B12R0.102 CCCOC(=O)CSCC(C)CC 62a_100000748023_200011215008 [0,2,0,0,0,0|2,0,0]=4 14585 B12R0.102 CCCOC(=O)CSCC(C)CC 62a_200011215008_100000748023 [0,2,0,0,0,0|2,0,0]=4 14586 B12R0.102 CCCOC(=O)CSCC(O)CC 62a_100011218378_200011215008 [0,2,0,0,0,0|2,0,0]=4 14587 B12R0.102 CCCOC(=O)CSCC(O)CC 62a_200011215008_100011218378 [0,2,0,0,0,0|2,0,0]=4 14588 B12R0.102 CCCOC(=O)CSC[C@@H](C)CC 62a_100009816398_200011215008 [0,2,0,0,0,0|2,0,0]=4 14589 B12R0.102 CCCOC(=O)CSC[C@@H](C)CC 62a_200011215008_100009816398 [0,2,0,0,0,0|2,0,0]=4 14590 B12R0.102 CCCOC(=O)OCOC(C)CC 7a_100000210228_200000139673 [0,2,0,0,0,0|1,0,0]=3 14591 B12R0.102 CCCOC(=O)OCOC(C)CF 34a_100016041109_200000139673 [0,2,0,0,0,0|2,0,0]=4 14592 B12R0.102 CCCOC(=O)OCOC(C)CF 7a_100016041109_200000139673 [0,2,0,0,0,0|2,0,0]=4 14593 B12R0.102 CCCOC(=O)OCOC(C)CN 34a_100000210904_200000139673 [0,2,0,0,0,0|2,0,0]=4 14594 B12R0.102 CCCOC(=O)OCSC(C)CC 62a_100000758301_200000139673 [0,2,0,0,0,0|1,0,0]=3 14595 B12R0.102 CCCOC(=O)OCSC(C)CO 62a_100012180447_200000139673 [0,2,0,0,0,0|2,0,0]=4 14596 B12R0.102 CCCOC(=O)OCSC(C)OC 62a_100009879195_200000139673 [0,2,0,0,0,0|2,0,0]=4 14597 B12R0.102 CCCOC(=O)OCS[C@H](C)CO 62a_100016084084_200000139673 [0,2,0,0,0,0|2,0,0]=4 14598 B12R0.102 CCN(C)CCCC(=O)CCOC 1458a_100000749529_100015186262 [0,2,0,0,0,0|2,0,0]=4 14599 B12R0.102 CCN(C)CCCC(=O)CCSC 1458a_100000174002_100015186262 [0,2,0,0,0,0|2,0,0]=4 14600 B12R0.102 CCNNC(=O)NCCC(C)CC 273464a_100020591266_100000756455 [0,2,0,0,0,0|2,0,0]=4 14601 B12R0.102 CCNNC(=O)NCCC(C)CC 512a_100000756455_100020591266 [0,2,0,0,0,0|2,0,0]=4 14602 B12R0.102 CCNNC(=O)NCCC(C)CC 512a_100020591266_100000756455 [0,2,0,0,0,0|2,0,0]=4 14603 B12R0.102 CCOCC(=O)CCCN(C)CC 1458a_100000211967_100015186262 [0,2,0,0,0,0|2,0,0]=4 14604 B12R0.102 CCOCC(=O)NCCC(C)CC 11a_100020591266_100000211967 [0,2,0,0,0,0|1,0,0]=3 14605 B12R0.102 CCOCC(=O)NCCC(C)CC 1626a_100020591266_100000211967 [0,2,0,0,0,0|1,0,0]=3 14606 B12R0.102 CCOCC(=O)NCCC(C)CC 240690a_100020591266_100000211967 [0,2,0,0,0,0|1,0,0]=3 14607 B12R0.102 CCOCC(=O)NCCC(C)CC 527a_100020591266_100000211967 [0,2,0,0,0,0|1,0,0]=3 14608 B12R0.102 CCOCC(=O)NCCC(C)CO 240690a_106354213184_100000211967 [0,2,0,0,0,0|2,0,0]=4 14609 B12R0.102 CCOCC(=O)NCCC(C)CO 527a_106354213184_100000211967 [0,2,0,0,0,0|2,0,0]=4 14610 B12R0.102 CCOCC(=O)NNCC(O)CC 22a_100015206393_100000211967 [0,2,0,0,0,0|2,0,0]=4 14611 B12R0.102 CCSCC(=O)CCCN(C)CC 1458a_100000230394_100015186262 [0,2,0,0,0,0|2,0,0]=4 14612 B12R0.102 CCSCC(=O)NCCC(C)CC 11a_100020591266_100000230394 [0,2,0,0,0,0|1,0,0]=3 14613 B12R0.102 CCSCC(=O)NCCC(C)CC 1626a_100020591266_100000230394 [0,2,0,0,0,0|1,0,0]=3 14614 B12R0.102 CCSCC(=O)NCCC(C)CC 240690a_100020591266_100000230394 [0,2,0,0,0,0|1,0,0]=3 14615 B12R0.102 CCSCC(=O)NCCC(C)CC 527a_100020591266_100000230394 [0,2,0,0,0,0|1,0,0]=3 14616 B12R0.102 CCSCC(=O)NCCC(C)CO 240690a_106354213184_100000230394 [0,2,0,0,0,0|2,0,0]=4 14617 B12R0.102 CCSCC(=O)NCCC(C)CO 527a_106354213184_100000230394 [0,2,0,0,0,0|2,0,0]=4 14618 B12R0.102 CCSCC(=O)NNCC(O)CC 22a_100015206393_100000230394 [0,2,0,0,0,0|2,0,0]=4 14619 B12R0.102 COCCC(=O)NCCC(C)CO 240690a_106354213184_100000749529 [0,2,0,0,0,0|2,0,0]=4 14620 B12R0.102 COCCC(=O)NCCC(C)CO 527a_106354213184_100000749529 [0,2,0,0,0,0|2,0,0]=4 14621 B12R0.102 CSCCC(=O)NCCC(C)CO 240690a_106354213184_100000174002 [0,2,0,0,0,0|2,0,0]=4 14622 B12R0.102 CSCCC(=O)NCCC(C)CO 527a_106354213184_100000174002 [0,2,0,0,0,0|2,0,0]=4 14623 B12R0.111 C#CC(CCCC)OCCCCC 34a_200011217967_100000718602 [0,2,0,0,0,0|1,0,1]=4 14624 B12R0.111 C#CC(CCCC)OCCCCC 7a_200011217967_100000210326 [0,2,0,0,0,0|1,0,1]=4 14625 B12R0.111 C=CC(CCCC)OCCCCC 34a_200011215037_100000718602 [0,2,0,0,0,0|1,0,1]=4 14626 B12R0.111 C=CC(CCCC)OCCCCC 7a_200011215037_100000210326 [0,2,0,0,0,0|1,0,1]=4 14627 B12R0.111 CCCCCOC(CC)CCCC 34a_100000210253_200011216223 [0,2,0,0,0,0|1,0,1]=4 14628 B12R0.111 CCCCCOC(CC)CCCC 34a_100011215227_100000718602 [0,2,0,0,0,0|1,0,1]=4 14629 B12R0.111 CCCCCOC(CC)CCCC 7a_100000210253_200011216223 [0,2,0,0,0,0|1,0,1]=4 14630 B12R0.111 CCCCCOC(CC)CCCC 7a_100011215227_100000210326 [0,2,0,0,0,0|1,0,1]=4 14631 B12R0.111 CCCCCOC(CN)COCC 34a_102515437182_100000718602 [0,2,0,0,0,0|1,0,1]=4 14632 B12R0.255 C=C(C)CCC(=O)C=CCCCC 1458a_100016266645_100000730704 [0,2,0,0,0,0|1,0,1]=4 14633 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,2,0,0,0,0|1,0,0]=3 14634 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,2,0,0,0,0|1,0,0]=3 14635 B12R0.255 C=C(C)CCC(=O)CCCCCF 1458a_200000688413_100000729378 [0,2,0,0,0,0|2,0,0]=4 14636 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_100102619762_100000730704 [0,2,0,0,0,0|2,0,0]=4 14637 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_200000688413_100000746330 [0,2,0,0,0,0|2,0,0]=4 14638 B12R0.255 C=C(C)CCC(=O)CCCCOC 1458a_200000688413_100000755781 [0,2,0,0,0,0|2,0,0]=4 14639 B12R0.255 C=C(C)CCC(=O)CCCOCC 1458a_200000688413_100012232248 [0,2,0,0,0,0|2,0,0]=4 14640 B12R0.255 C=C(C)CCC(=O)CCOCCC 1458a_200000688413_100011215938 [0,2,0,0,0,0|2,0,0]=4 14641 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_100000757543_100000730704 [0,2,0,0,0,0|2,0,0]=4 14642 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_200000688413_100011995733 [0,2,0,0,0,0|2,0,0]=4 14643 B12R0.255 C=C(C)CCC(=O)CSCCCC 1458a_100000191162_100000730704 [0,2,0,0,0,0|2,0,0]=4 14644 B12R0.255 C=C(C)CCC(=O)NCCCCC 11a_100000209983_200000688413 [0,2,0,0,0,0|1,0,0]=3 14645 B12R0.255 C=C(C)CCC(=O)NCCCCC 1626a_100000209983_200000688413 [0,2,0,0,0,0|1,0,0]=3 14646 B12R0.255 C=C(C)CCC(=O)NCCCCC 240690a_100000209983_200000688413 [0,2,0,0,0,0|1,0,0]=3 14647 B12R0.255 C=C(C)CCC(=O)NCCCCC 527a_100000209983_200000688413 [0,2,0,0,0,0|1,0,0]=3 14648 B12R0.255 C=C(C)CCC(=O)NCCCCO 240690a_100000750430_200000688413 [0,2,0,0,0,0|2,0,0]=4 14649 B12R0.255 C=C(C)CCC(=O)NCCCCO 527a_100000750430_200000688413 [0,2,0,0,0,0|2,0,0]=4 14650 B12R0.255 C=C(C)CCC(=O)NCCCOC 1626a_100150723488_200000688413 [0,2,0,0,0,0|2,0,0]=4 14651 B12R0.255 C=C(C)CCC(=O)NCCCOC 240690a_100150723488_200000688413 [0,2,0,0,0,0|2,0,0]=4 14652 B12R0.255 C=C(C)CCC(=O)NCCCOC 527a_100150723488_200000688413 [0,2,0,0,0,0|2,0,0]=4 14653 B12R0.255 C=C(C)CCC(=O)NCCCSC 11a_100000749238_200000688413 [0,2,0,0,0,0|2,0,0]=4 14654 B12R0.255 C=C(C)CCC(=O)NCCCSC 1626a_100000749238_200000688413 [0,2,0,0,0,0|2,0,0]=4 14655 B12R0.255 C=C(C)CCC(=O)NCCCSC 240690a_100000749238_200000688413 [0,2,0,0,0,0|2,0,0]=4 14656 B12R0.255 C=C(C)CCC(=O)NCCCSC 527a_100000749238_200000688413 [0,2,0,0,0,0|2,0,0]=4 14657 B12R0.255 C=C(C)CCC(=O)NCCOCC 11a_100011200944_200000688413 [0,2,0,0,0,0|2,0,0]=4 14658 B12R0.255 C=C(C)CCC(=O)NCCOCC 1626a_102516460346_200000688413 [0,2,0,0,0,0|2,0,0]=4 14659 B12R0.255 C=C(C)CCC(=O)NCCOCC 240690a_100011200944_200000688413 [0,2,0,0,0,0|2,0,0]=4 14660 B12R0.255 C=C(C)CCC(=O)NCCOCC 527a_100011200944_200000688413 [0,2,0,0,0,0|2,0,0]=4 14661 B12R0.255 C=C(C)CCC(=O)NCCSCC 11a_100000106463_200000688413 [0,2,0,0,0,0|2,0,0]=4 14662 B12R0.255 C=C(C)CCC(=O)NCCSCC 1626a_100000106463_200000688413 [0,2,0,0,0,0|2,0,0]=4 14663 B12R0.255 C=C(C)CCC(=O)NCCSCC 240690a_100000106463_200000688413 [0,2,0,0,0,0|2,0,0]=4 14664 B12R0.255 C=C(C)CCC(=O)NCCSCC 527a_100000106463_200000688413 [0,2,0,0,0,0|2,0,0]=4 14665 B12R0.255 C=C(C)CCC(=O)NNCCCC 22a_100025702795_200000688413 [0,2,0,0,0,0|2,0,0]=4 14666 B12R0.255 C=C(C)CNC(=O)CCCCCC 11a_100000765925_100102632555 [0,2,0,0,0,0|1,0,1]=4 14667 B12R0.255 C=C(C)CNC(=O)CCCCCC 1626a_100000765925_100102632555 [0,2,0,0,0,0|1,0,1]=4 14668 B12R0.255 C=C(C)CNC(=O)CCCCCC 240690a_100000765925_100102632555 [0,2,0,0,0,0|1,0,1]=4 14669 B12R0.255 C=C(C)CNC(=O)CCCCCC 527a_100000765925_100102632555 [0,2,0,0,0,0|1,0,1]=4 14670 B12R0.255 C=C(C)CNC(=O)NCCCCC 2708a_100000209983_100000765925 [0,2,0,0,0,0|1,0,1]=4 14671 B12R0.255 C=C(C)CNC(=O)NCCCCC 2708a_100000765925_100000209983 [0,2,0,0,0,0|1,0,1]=4 14672 B12R0.255 C=C(C)CNC(=O)NCCCCC 273464a_100000209983_100000765925 [0,2,0,0,0,0|1,0,1]=4 14673 B12R0.255 C=C(C)CNC(=O)NCCCCC 273464a_100000765925_100000209983 [0,2,0,0,0,0|1,0,1]=4 14674 B12R0.255 C=C(C)CNC(=O)NCCCCC 512a_100000209983_100000765925 [0,2,0,0,0,0|1,0,1]=4 14675 B12R0.255 C=C(C)CNC(=O)NCCCCC 512a_100000765925_100000209983 [0,2,0,0,0,0|1,0,1]=4 14676 B12R0.255 CC(=O)CCC(=O)OCCCCO 1458a_200009914559_200000210301 [0,2,0,0,0,0|1,0,0]=3 14677 B12R0.255 CC(C)CCC(=O)CCCCCF 1458a_100000181311_100000729378 [0,2,0,0,0,0|2,0,0]=4 14678 B12R0.255 CC(C)CCC(=O)CCCCCO 1458a_100000181311_100000746330 [0,2,0,0,0,0|2,0,0]=4 14679 B12R0.255 CC(C)CCC(=O)CCCCCO 1458a_100102619762_100000210312 [0,2,0,0,0,0|2,0,0]=4 14680 B12R0.255 CC(C)CCC(=O)NCCCCO 240690a_100000750430_100000181311 [0,2,0,0,0,0|2,0,0]=4 14681 B12R0.255 CC(C)CCC(=O)NCCCCO 527a_100000750430_100000181311 [0,2,0,0,0,0|2,0,0]=4 14682 B12R0.255 CC(C)CNC(=O)CCCCCO 240690a_100000210953_100102619762 [0,2,0,0,0,0|2,0,0]=4 14683 B12R0.255 CC(C)CNC(=O)NCCCCO 2708a_100000210953_100000750430 [0,2,0,0,0,0|2,0,0]=4 14684 B12R0.255 CC(C)CNC(=O)NCCCCO 2708a_100000750430_100000210953 [0,2,0,0,0,0|2,0,0]=4 14685 B12R0.255 CC(C)CNC(=O)NCCCCO 273464a_100000210953_100000750430 [0,2,0,0,0,0|2,0,0]=4 14686 B12R0.255 CC(C)CNC(=O)NCCCCO 273464a_100000750430_100000210953 [0,2,0,0,0,0|2,0,0]=4 14687 B12R0.255 CC(C)CNC(=O)NCCCCO 512a_100000210953_100000750430 [0,2,0,0,0,0|2,0,0]=4 14688 B12R0.255 CC(C)CNC(=O)NCCCCO 512a_100000750430_100000210953 [0,2,0,0,0,0|2,0,0]=4 14689 B12R0.255 CC(C)OCC(=O)CCCCCF 1458a_100000745533_100000729378 [0,2,0,0,0,0|2,0,0]=4 14690 B12R0.255 CC(C)OCC(=O)CCCCCO 1458a_100000745533_100000746330 [0,2,0,0,0,0|2,0,0]=4 14691 B12R0.255 CC(C)OCC(=O)NCCCCO 240690a_100000750430_100000745533 [0,2,0,0,0,0|2,0,0]=4 14692 B12R0.255 CC(C)OCC(=O)NCCCCO 527a_100000750430_100000745533 [0,2,0,0,0,0|2,0,0]=4 14693 B12R0.255 CC(C)SCC(=O)CCCCCF 1458a_100000241585_100000729378 [0,2,0,0,0,0|2,0,0]=4 14694 B12R0.255 CC(C)SCC(=O)CCCCCO 1458a_100000241585_100000746330 [0,2,0,0,0,0|2,0,0]=4 14695 B12R0.255 CC(C)SCC(=O)NCCCCO 240690a_100000750430_100000241585 [0,2,0,0,0,0|2,0,0]=4 14696 B12R0.255 CC(C)SCC(=O)NCCCCO 527a_100000750430_100000241585 [0,2,0,0,0,0|2,0,0]=4 14697 B12R0.255 CC(O)CCC(=O)CCCCCO 1458a_100102619762_100012276601 [0,2,0,0,0,0|2,0,0]=4 14698 B12R0.255 CC(O)CNC(=O)CCCCCO 240690a_100000210904_100102619762 [0,2,0,0,0,0|2,0,0]=4 14699 B12R0.255 CC(O)CNC(=O)NCCCCO 2708a_100000750430_100000210904 [0,2,0,0,0,0|2,0,0]=4 14700 B12R0.255 CC(O)CNC(=O)NCCCCO 273464a_100000210904_100000750430 [0,2,0,0,0,0|2,0,0]=4 14701 B12R0.255 CC(O)CNC(=O)NCCCCO 273464a_100000750430_100000210904 [0,2,0,0,0,0|2,0,0]=4 14702 B12R0.255 CC(O)CNC(=O)NCCCCO 512a_100000210904_100000750430 [0,2,0,0,0,0|2,0,0]=4 14703 B12R0.255 CC(O)CNC(=O)NCCCCO 512a_100000750430_100000210904 [0,2,0,0,0,0|2,0,0]=4 14704 B12R0.255 CCCCC=CC(=O)CCC(C)C 1458a_100016266645_100000210312 [0,2,0,0,0,0|1,0,1]=4 14705 B12R0.255 CCCCC=CC(=O)CCC(C)O 1458a_100016266645_100012276601 [0,2,0,0,0,0|1,0,1]=4 14706 B12R0.255 CCCCC=CC(=O)NCC(C)C 11a_100000210953_100016266645 [0,2,0,0,0,0|1,0,1]=4 14707 B12R0.255 CCCCC=CC(=O)NCC(C)C 1626a_100000210953_100016266645 [0,2,0,0,0,0|1,0,1]=4 14708 B12R0.255 CCCCC=CC(=O)NCC(C)C 240690a_100000210953_100016266645 [0,2,0,0,0,0|1,0,1]=4 14709 B12R0.255 CCCCC=CC(=O)NCC(C)O 11a_100000210904_100016266645 [0,2,0,0,0,0|1,0,1]=4 14710 B12R0.255 CCCCC=CC(=O)NCC(C)O 240690a_100000210904_100016266645 [0,2,0,0,0,0|1,0,1]=4 14711 B12R0.255 CCCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210757 [0,2,0,0,0,0|1,0,1]=4 14712 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210757 [0,2,0,0,0,0|1,0,1]=4 14713 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100102632555_100000761012 [0,2,0,0,0,0|1,0,1]=4 14714 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,2,0,0,0,0|1,0,1]=4 14715 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210757 [0,2,0,0,0,0|1,0,0]=3 14716 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100102632555_100000210312 [0,2,0,0,0,0|1,0,0]=3 14717 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [0,2,0,0,0,0|1,0,0]=3 14718 B12R0.255 CCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210757 [0,2,0,0,0,0|2,0,0]=4 14719 B12R0.255 CCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210757 [0,2,0,0,0,0|1,0,0]=3 14720 B12R0.255 CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210757 [0,2,0,0,0,0|1,0,1]=4 14721 B12R0.255 CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210757 [0,2,0,0,0,0|1,0,1]=4 14722 B12R0.255 CCCCCCC(=O)COC(C)C 1458a_100000745533_100000210757 [0,2,0,0,0,0|1,0,0]=3 14723 B12R0.255 CCCCCCC(=O)COC(F)F 1458a_200000719455_100000210757 [0,2,0,0,0,0|2,0,0]=4 14724 B12R0.255 CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210757 [0,2,0,0,0,0|1,0,1]=4 14725 B12R0.255 CCCCCCC(=O)CSC(C)C 1458a_100000241585_100000210757 [0,2,0,0,0,0|1,0,0]=3 14726 B12R0.255 CCCCCCC(=O)CSC(F)F 1458a_114828291038_100000210757 [0,2,0,0,0,0|2,0,0]=4 14727 B12R0.255 CCCCCCC(=O)NCC(C)C 11a_100000210953_100102632555 [0,2,0,0,0,0|1,0,0]=3 14728 B12R0.255 CCCCCCC(=O)NCC(C)C 1626a_100000210953_100102632555 [0,2,0,0,0,0|1,0,0]=3 14729 B12R0.255 CCCCCCC(=O)NCC(C)C 240690a_100000210953_100102632555 [0,2,0,0,0,0|1,0,0]=3 14730 B12R0.255 CCCCCCC(=O)NCC(C)C 527a_100000210953_100102632555 [0,2,0,0,0,0|1,0,0]=3 14731 B12R0.255 CCCCCCC(=O)NCC(C)O 11a_100000210904_100102632555 [0,2,0,0,0,0|1,0,0]=3 14732 B12R0.255 CCCCCCC(=O)NCC(C)O 240690a_100000210904_100102632555 [0,2,0,0,0,0|1,0,0]=3 14733 B12R0.255 CCCCCCC(=O)NCC(C)O 527a_100000210904_100102632555 [0,2,0,0,0,0|1,0,0]=3 14734 B12R0.255 CCCCCCC(=O)NCC(F)F 11a_100000765723_100102632555 [0,2,0,0,0,0|2,0,0]=4 14735 B12R0.255 CCCCCCC(=O)NCC(F)F 1626a_100000765723_100102632555 [0,2,0,0,0,0|2,0,0]=4 14736 B12R0.255 CCCCCCC(=O)NCC(F)F 240690a_100000765723_100102632555 [0,2,0,0,0,0|2,0,0]=4 14737 B12R0.255 CCCCCCC(=O)NCC(F)F 527a_100000765723_100102632555 [0,2,0,0,0,0|2,0,0]=4 14738 B12R0.255 CCCCCCC(=O)NNC(C)C 22a_100000741168_100102632555 [0,2,0,0,0,0|2,0,0]=4 14739 B12R0.255 CCCCCNC(=O)C=CC(C)C 11a_100000209983_100016268746 [0,2,0,0,0,0|1,0,1]=4 14740 B12R0.255 CCCCCNC(=O)C=CC(C)C 1626a_100000209983_100016268746 [0,2,0,0,0,0|1,0,1]=4 14741 B12R0.255 CCCCCNC(=O)C=CC(C)C 240690a_100000209983_100016268746 [0,2,0,0,0,0|1,0,1]=4 14742 B12R0.255 CCCCCNC(=O)CC=C(C)C 11a_100000209983_100011220947 [0,2,0,0,0,0|1,0,1]=4 14743 B12R0.255 CCCCCNC(=O)CC=C(C)C 1626a_100000209983_100011220947 [0,2,0,0,0,0|1,0,1]=4 14744 B12R0.255 CCCCCNC(=O)CC=C(C)C 240690a_100000209983_100011220947 [0,2,0,0,0,0|1,0,1]=4 14745 B12R0.255 CCCCCNC(=O)CC=C(C)C 527a_100000209983_100011220947 [0,2,0,0,0,0|1,0,1]=4 14746 B12R0.255 CCCCCNC(=O)CCC(=O)N 240690a_100000209983_100011215257 [0,2,0,0,0,0|1,0,1]=4 14747 B12R0.255 CCCCCNC(=O)CCC(=O)N 527a_100000209983_100011215257 [0,2,0,0,0,0|1,0,1]=4 14748 B12R0.255 CCCCCNC(=O)CCC(C)C 11a_100000209983_100000181311 [0,2,0,0,0,0|1,0,0]=3 14749 B12R0.255 CCCCCNC(=O)CCC(C)C 1626a_100000209983_100000181311 [0,2,0,0,0,0|1,0,0]=3 14750 B12R0.255 CCCCCNC(=O)CCC(C)C 240690a_100000209983_100000181311 [0,2,0,0,0,0|1,0,0]=3 14751 B12R0.255 CCCCCNC(=O)CCC(C)C 527a_100000209983_100000181311 [0,2,0,0,0,0|1,0,0]=3 14752 B12R0.255 CCCCCNC(=O)CCC(C)O 1626a_100000209983_100000718519 [0,2,0,0,0,0|1,0,0]=3 14753 B12R0.255 CCCCCNC(=O)CCN(C)C 11a_100000209983_100000689311 [0,2,0,0,0,0|1,0,0]=3 14754 B12R0.255 CCCCCNC(=O)CCN(C)C 240690a_100000209983_100000689311 [0,2,0,0,0,0|1,0,0]=3 14755 B12R0.255 CCCCCNC(=O)CCN(C)C 527a_100000209983_100000689311 [0,2,0,0,0,0|1,0,0]=3 14756 B12R0.255 CCCCCNC(=O)CC[N+](=O)[O-] 11a_100000209983_200000064761 [0,2,0,0,0,0|2,0,0]=4 14757 B12R0.255 CCCCCNC(=O)CC[N+](=O)[O-] 1626a_100000209983_200000064761 [0,2,0,0,0,0|2,0,0]=4 14758 B12R0.255 CCCCCNC(=O)CC[N+](=O)[O-] 240690a_100000209983_200000064761 [0,2,0,0,0,0|2,0,0]=4 14759 B12R0.255 CCCCCNC(=O)CC[S+](C)C 11a_100000209983_100009452791 [0,2,0,0,0,0|1,0,0]=3 14760 B12R0.255 CCCCCNC(=O)CC[S+](C)C 1626a_100000209983_100009452791 [0,2,0,0,0,0|1,0,0]=3 14761 B12R0.255 CCCCCNC(=O)CC[S+](C)C 240690a_100000209983_100009452791 [0,2,0,0,0,0|1,0,0]=3 14762 B12R0.255 CCCCCNC(=O)CNC(=O)C 11a_100000209983_100000194580 [0,2,0,0,0,0|1,0,1]=4 14763 B12R0.255 CCCCCNC(=O)CNC(=O)C 1626a_100000209983_100000194580 [0,2,0,0,0,0|1,0,1]=4 14764 B12R0.255 CCCCCNC(=O)CNC(=O)C 240690a_100000209983_100000194580 [0,2,0,0,0,0|1,0,1]=4 14765 B12R0.255 CCCCCNC(=O)CNC(=O)C 527a_100000209983_100000194580 [0,2,0,0,0,0|1,0,1]=4 14766 B12R0.255 CCCCCNC(=O)CNC(C)C 2230a_100138425928_100000230301 [0,2,0,0,0,0|1,0,0]=3 14767 B12R0.255 CCCCCNC(=O)CNC(C)C 34a_100138425928_100000230301 [0,2,0,0,0,0|1,0,0]=3 14768 B12R0.255 CCCCCNC(=O)COC(=O)C 1626a_100000209983_100000183556 [0,2,0,0,0,0|1,0,1]=4 14769 B12R0.255 CCCCCNC(=O)COC(=O)C 240690a_100000209983_100000183556 [0,2,0,0,0,0|1,0,1]=4 14770 B12R0.255 CCCCCNC(=O)COC(=O)C 527a_100000209983_100000183556 [0,2,0,0,0,0|1,0,1]=4 14771 B12R0.255 CCCCCNC(=O)COC(C)C 11a_100000209983_100000745533 [0,2,0,0,0,0|1,0,0]=3 14772 B12R0.255 CCCCCNC(=O)COC(C)C 1626a_100000209983_100000745533 [0,2,0,0,0,0|1,0,0]=3 14773 B12R0.255 CCCCCNC(=O)COC(C)C 240690a_100000209983_100000745533 [0,2,0,0,0,0|1,0,0]=3 14774 B12R0.255 CCCCCNC(=O)COC(C)C 34a_100000212225_100000230301 [0,2,0,0,0,0|1,0,0]=3 14775 B12R0.255 CCCCCNC(=O)COC(C)C 527a_100000209983_100000745533 [0,2,0,0,0,0|1,0,0]=3 14776 B12R0.255 CCCCCNC(=O)COC(F)F 11a_100000209983_200000719455 [0,2,0,0,0,0|2,0,0]=4 14777 B12R0.255 CCCCCNC(=O)COC(F)F 1626a_100000209983_200000719455 [0,2,0,0,0,0|2,0,0]=4 14778 B12R0.255 CCCCCNC(=O)COC(F)F 240690a_100000209983_200000719455 [0,2,0,0,0,0|2,0,0]=4 14779 B12R0.255 CCCCCNC(=O)COC(F)F 527a_100000209983_200000719455 [0,2,0,0,0,0|2,0,0]=4 14780 B12R0.255 CCCCCNC(=O)CSC(=O)C 11a_100000209983_100000049016 [0,2,0,0,0,0|1,0,1]=4 14781 B12R0.255 CCCCCNC(=O)CSC(=O)C 1626a_100000209983_100000049016 [0,2,0,0,0,0|1,0,1]=4 14782 B12R0.255 CCCCCNC(=O)CSC(=O)C 240690a_100000209983_100000049016 [0,2,0,0,0,0|1,0,1]=4 14783 B12R0.255 CCCCCNC(=O)CSC(C)C 11a_100000209983_100000241585 [0,2,0,0,0,0|1,0,0]=3 14784 B12R0.255 CCCCCNC(=O)CSC(C)C 1626a_100000209983_100000241585 [0,2,0,0,0,0|1,0,0]=3 14785 B12R0.255 CCCCCNC(=O)CSC(C)C 240690a_100000209983_100000241585 [0,2,0,0,0,0|1,0,0]=3 14786 B12R0.255 CCCCCNC(=O)CSC(C)C 527a_100000209983_100000241585 [0,2,0,0,0,0|1,0,0]=3 14787 B12R0.255 CCCCCNC(=O)CSC(C)C 62a_100000210206_100000230301 [0,2,0,0,0,0|1,0,0]=3 14788 B12R0.255 CCCCCNC(=O)CSC(C)C 62a_100000230301_100000210206 [0,2,0,0,0,0|1,0,0]=3 14789 B12R0.255 CCCCCNC(=O)CSC(F)F 11a_100000209983_114828291038 [0,2,0,0,0,0|2,0,0]=4 14790 B12R0.255 CCCCCNC(=O)CSC(F)F 1626a_100000209983_114828291038 [0,2,0,0,0,0|2,0,0]=4 14791 B12R0.255 CCCCCNC(=O)CSC(F)F 240690a_100000209983_114828291038 [0,2,0,0,0,0|2,0,0]=4 14792 B12R0.255 CCCCCNC(=O)CSC(F)F 527a_100000209983_114828291038 [0,2,0,0,0,0|2,0,0]=4 14793 B12R0.255 CCCCCNC(=O)NCC(C)C 2708a_100000209983_100000210953 [0,2,0,0,0,0|1,0,0]=3 14794 B12R0.255 CCCCCNC(=O)NCC(C)C 2708a_100000210953_100000209983 [0,2,0,0,0,0|1,0,0]=3 14795 B12R0.255 CCCCCNC(=O)NCC(C)C 273464a_100000209983_100000210953 [0,2,0,0,0,0|1,0,0]=3 14796 B12R0.255 CCCCCNC(=O)NCC(C)C 273464a_100000210953_100000209983 [0,2,0,0,0,0|1,0,0]=3 14797 B12R0.255 CCCCCNC(=O)NCC(C)C 512a_100000209983_100000210953 [0,2,0,0,0,0|1,0,0]=3 14798 B12R0.255 CCCCCNC(=O)NCC(C)C 512a_100000210953_100000209983 [0,2,0,0,0,0|1,0,0]=3 14799 B12R0.255 CCCCCNC(=O)NCC(C)O 2708a_100000209983_100000210904 [0,2,0,0,0,0|1,0,0]=3 14800 B12R0.255 CCCCCNC(=O)NCC(C)O 273464a_100000209983_100000210904 [0,2,0,0,0,0|1,0,0]=3 14801 B12R0.255 CCCCCNC(=O)NCC(C)O 273464a_100000210904_100000209983 [0,2,0,0,0,0|1,0,0]=3 14802 B12R0.255 CCCCCNC(=O)NCC(C)O 512a_100000209983_100000210904 [0,2,0,0,0,0|1,0,0]=3 14803 B12R0.255 CCCCCNC(=O)NCC(C)O 512a_100000210904_100000209983 [0,2,0,0,0,0|1,0,0]=3 14804 B12R0.255 CCCCCNC(=O)NCC(F)F 2708a_100000209983_100000765723 [0,2,0,0,0,0|2,0,0]=4 14805 B12R0.255 CCCCCNC(=O)NCC(F)F 273464a_100000209983_100000765723 [0,2,0,0,0,0|2,0,0]=4 14806 B12R0.255 CCCCCNC(=O)NCC(F)F 273464a_100000765723_100000209983 [0,2,0,0,0,0|2,0,0]=4 14807 B12R0.255 CCCCCNC(=O)NCC(F)F 512a_100000209983_100000765723 [0,2,0,0,0,0|2,0,0]=4 14808 B12R0.255 CCCCCNC(=O)NCC(F)F 512a_100000765723_100000209983 [0,2,0,0,0,0|2,0,0]=4 14809 B12R0.255 CCCCCNC(=O)NNC(C)C 273464a_100000209983_100000741168 [0,2,0,0,0,0|2,0,0]=4 14810 B12R0.255 CCCCCNC(=O)NNC(C)C 512a_100000209983_100000741168 [0,2,0,0,0,0|2,0,0]=4 14811 B12R0.255 CCCCCNC(=O)NNC(C)C 512a_100000741168_100000209983 [0,2,0,0,0,0|2,0,0]=4 14812 B12R0.255 CCCCCOC(C)CCC(C)C 34a_100000210253_100011261404 [0,2,0,0,0,0|1,0,1]=4 14813 B12R0.255 CCCCCOC(C)CCC(C)C 34a_100011215350_100000718602 [0,2,0,0,0,0|1,0,1]=4 14814 B12R0.255 CCCCCOC(C)CCC(C)C 7a_100011215350_100000210326 [0,2,0,0,0,0|1,0,1]=4 14815 B12R0.255 CCCCNCC(=O)NCC(C)C 2230a_100000102301_100000183291 [0,2,0,0,0,0|2,0,0]=4 14816 B12R0.255 CCCCNCC(=O)NCC(C)C 7a_106832991798_100000183291 [0,2,0,0,0,0|2,0,0]=4 14817 B12R0.255 CCCCNNC(=O)CCC(C)C 22a_100025702795_100000181311 [0,2,0,0,0,0|2,0,0]=4 14818 B12R0.255 CCCCNNC(=O)CCN(C)C 22a_100025702795_100000689311 [0,2,0,0,0,0|2,0,0]=4 14819 B12R0.255 CCCCNNC(=O)CC[S+](C)C 22a_100025702795_100009452791 [0,2,0,0,0,0|2,0,0]=4 14820 B12R0.255 CCCCNNC(=O)COC(C)C 22a_100025702795_100000745533 [0,2,0,0,0,0|2,0,0]=4 14821 B12R0.255 CCCCNNC(=O)CSC(C)C 22a_100025702795_100000241585 [0,2,0,0,0,0|2,0,0]=4 14822 B12R0.255 CCCCNNC(=O)NCC(C)C 273464a_100000210953_100025702795 [0,2,0,0,0,0|2,0,0]=4 14823 B12R0.255 CCCCNNC(=O)NCC(C)C 512a_100000210953_100025702795 [0,2,0,0,0,0|2,0,0]=4 14824 B12R0.255 CCCCNNC(=O)NCC(C)C 512a_100025702795_100000210953 [0,2,0,0,0,0|2,0,0]=4 14825 B12R0.255 CCCCNNC(=O)NCC(C)O 273464a_100000210904_100025702795 [0,2,0,0,0,0|2,0,0]=4 14826 B12R0.255 CCCCNNC(=O)NCC(C)O 512a_100000210904_100025702795 [0,2,0,0,0,0|2,0,0]=4 14827 B12R0.255 CCCCNNC(=O)NCC(C)O 512a_100025702795_100000210904 [0,2,0,0,0,0|2,0,0]=4 14828 B12R0.255 CCCCOCC(=O)CCC(C)C 1458a_100000181311_100011995733 [0,2,0,0,0,0|2,0,0]=4 14829 B12R0.255 CCCCOCC(=O)CCC(C)C 1458a_100000757543_100000210312 [0,2,0,0,0,0|2,0,0]=4 14830 B12R0.255 CCCCOCC(=O)CCC(C)O 1458a_100000757543_100012276601 [0,2,0,0,0,0|2,0,0]=4 14831 B12R0.255 CCCCOCC(=O)CC[S+](C)C 1458a_100009452791_100011995733 [0,2,0,0,0,0|2,0,0]=4 14832 B12R0.255 CCCCOCC(=O)COC(C)C 1458a_100000745533_100011995733 [0,2,0,0,0,0|2,0,0]=4 14833 B12R0.255 CCCCOCC(=O)CSC(C)C 1458a_100000241585_100011995733 [0,2,0,0,0,0|2,0,0]=4 14834 B12R0.255 CCCCOCC(=O)NCC(C)C 11a_100000210953_100000757543 [0,2,0,0,0,0|2,0,0]=4 14835 B12R0.255 CCCCOCC(=O)NCC(C)C 1626a_100000210953_100000757543 [0,2,0,0,0,0|2,0,0]=4 14836 B12R0.255 CCCCOCC(=O)NCC(C)C 240690a_100000210953_100000757543 [0,2,0,0,0,0|2,0,0]=4 14837 B12R0.255 CCCCOCC(=O)NCC(C)C 34a_100000210227_100000183291 [0,2,0,0,0,0|2,0,0]=4 14838 B12R0.255 CCCCOCC(=O)NCC(C)C 527a_100000210953_100000757543 [0,2,0,0,0,0|2,0,0]=4 14839 B12R0.255 CCCCOCC(=O)NCC(C)C 7a_100000210227_100000183291 [0,2,0,0,0,0|2,0,0]=4 14840 B12R0.255 CCCCOCC(=O)NCC(C)O 11a_100000210904_100000757543 [0,2,0,0,0,0|2,0,0]=4 14841 B12R0.255 CCCCOCC(=O)NCC(C)O 240690a_100000210904_100000757543 [0,2,0,0,0,0|2,0,0]=4 14842 B12R0.255 CCCCOCC(=O)NCC(C)O 527a_100000210904_100000757543 [0,2,0,0,0,0|2,0,0]=4 14843 B12R0.255 CCCCSCC(=O)CCC(C)C 1458a_100000191162_100000210312 [0,2,0,0,0,0|2,0,0]=4 14844 B12R0.255 CCCCSCC(=O)CCC(C)O 1458a_100000191162_100012276601 [0,2,0,0,0,0|2,0,0]=4 14845 B12R0.255 CCCCSCC(=O)NCC(C)C 11a_100000210953_100000191162 [0,2,0,0,0,0|2,0,0]=4 14846 B12R0.255 CCCCSCC(=O)NCC(C)C 1626a_100000210953_100000191162 [0,2,0,0,0,0|2,0,0]=4 14847 B12R0.255 CCCCSCC(=O)NCC(C)C 240690a_100000210953_100000191162 [0,2,0,0,0,0|2,0,0]=4 14848 B12R0.255 CCCCSCC(=O)NCC(C)C 527a_100000210953_100000191162 [0,2,0,0,0,0|2,0,0]=4 14849 B12R0.255 CCCCSCC(=O)NCC(C)C 62a_100000183291_100000210210 [0,2,0,0,0,0|2,0,0]=4 14850 B12R0.255 CCCCSCC(=O)NCC(C)C 62a_100000210211_100000183291 [0,2,0,0,0,0|2,0,0]=4 14851 B12R0.255 CCCCSCC(=O)NCC(C)O 11a_100000210904_100000191162 [0,2,0,0,0,0|2,0,0]=4 14852 B12R0.255 CCCCSCC(=O)NCC(C)O 240690a_100000210904_100000191162 [0,2,0,0,0,0|2,0,0]=4 14853 B12R0.255 CCCCSCC(=O)NCC(C)O 527a_100000210904_100000191162 [0,2,0,0,0,0|2,0,0]=4 14854 B12R0.255 CCCOCCC(=O)CCC(C)C 1458a_100000181311_100011215938 [0,2,0,0,0,0|2,0,0]=4 14855 B12R0.255 CCCOCCC(=O)CC[S+](C)C 1458a_100009452791_100011215938 [0,2,0,0,0,0|2,0,0]=4 14856 B12R0.255 CCCOCCC(=O)COC(C)C 1458a_100000745533_100011215938 [0,2,0,0,0,0|2,0,0]=4 14857 B12R0.255 CCCOCCC(=O)CSC(C)C 1458a_100000241585_100011215938 [0,2,0,0,0,0|2,0,0]=4 14858 B12R0.255 CCNCCCC(=O)NCC(C)C 2230a_100015525214_100011194448 [0,2,0,0,0,0|2,0,0]=4 14859 B12R0.255 CCOCCCC(=O)CCC(C)C 1458a_100000181311_100012232248 [0,2,0,0,0,0|2,0,0]=4 14860 B12R0.255 CCOCCCC(=O)CC[S+](C)C 1458a_100009452791_100012232248 [0,2,0,0,0,0|2,0,0]=4 14861 B12R0.255 CCOCCCC(=O)COC(C)C 1458a_100000745533_100012232248 [0,2,0,0,0,0|2,0,0]=4 14862 B12R0.255 CCOCCCC(=O)CSC(C)C 1458a_100000241585_100012232248 [0,2,0,0,0,0|2,0,0]=4 14863 B12R0.255 CCOCCCC(=O)NCC(C)C 34a_100121572206_100011194448 [0,2,0,0,0,0|2,0,0]=4 14864 B12R0.255 CCOCCNC(=O)CCC(C)C 11a_100011200944_100000181311 [0,2,0,0,0,0|2,0,0]=4 14865 B12R0.255 CCOCCNC(=O)CCC(C)C 1626a_102516460346_100000181311 [0,2,0,0,0,0|2,0,0]=4 14866 B12R0.255 CCOCCNC(=O)CCC(C)C 240690a_100011200944_100000181311 [0,2,0,0,0,0|2,0,0]=4 14867 B12R0.255 CCOCCNC(=O)CCC(C)C 527a_100011200944_100000181311 [0,2,0,0,0,0|2,0,0]=4 14868 B12R0.255 CCOCCNC(=O)CCC(C)O 1626a_102516460346_100000718519 [0,2,0,0,0,0|2,0,0]=4 14869 B12R0.255 CCOCCNC(=O)CCN(C)C 11a_100011200944_100000689311 [0,2,0,0,0,0|2,0,0]=4 14870 B12R0.255 CCOCCNC(=O)CCN(C)C 240690a_100011200944_100000689311 [0,2,0,0,0,0|2,0,0]=4 14871 B12R0.255 CCOCCNC(=O)CCN(C)C 527a_100011200944_100000689311 [0,2,0,0,0,0|2,0,0]=4 14872 B12R0.255 CCOCCNC(=O)CC[S+](C)C 11a_100011200944_100009452791 [0,2,0,0,0,0|2,0,0]=4 14873 B12R0.255 CCOCCNC(=O)CC[S+](C)C 1626a_102516460346_100009452791 [0,2,0,0,0,0|2,0,0]=4 14874 B12R0.255 CCOCCNC(=O)CC[S+](C)C 240690a_100011200944_100009452791 [0,2,0,0,0,0|2,0,0]=4 14875 B12R0.255 CCOCCNC(=O)COC(C)C 11a_100011200944_100000745533 [0,2,0,0,0,0|2,0,0]=4 14876 B12R0.255 CCOCCNC(=O)COC(C)C 1626a_102516460346_100000745533 [0,2,0,0,0,0|2,0,0]=4 14877 B12R0.255 CCOCCNC(=O)COC(C)C 240690a_100011200944_100000745533 [0,2,0,0,0,0|2,0,0]=4 14878 B12R0.255 CCOCCNC(=O)COC(C)C 527a_100011200944_100000745533 [0,2,0,0,0,0|2,0,0]=4 14879 B12R0.255 CCOCCNC(=O)CSC(C)C 11a_100011200944_100000241585 [0,2,0,0,0,0|2,0,0]=4 14880 B12R0.255 CCOCCNC(=O)CSC(C)C 1626a_102516460346_100000241585 [0,2,0,0,0,0|2,0,0]=4 14881 B12R0.255 CCOCCNC(=O)CSC(C)C 240690a_100011200944_100000241585 [0,2,0,0,0,0|2,0,0]=4 14882 B12R0.255 CCOCCNC(=O)CSC(C)C 527a_100011200944_100000241585 [0,2,0,0,0,0|2,0,0]=4 14883 B12R0.255 CCOCCNC(=O)NCC(C)C 2708a_100000210953_100011200944 [0,2,0,0,0,0|2,0,0]=4 14884 B12R0.255 CCOCCNC(=O)NCC(C)C 2708a_100011200944_100000210953 [0,2,0,0,0,0|2,0,0]=4 14885 B12R0.255 CCOCCNC(=O)NCC(C)C 273464a_100000210953_102516460346 [0,2,0,0,0,0|2,0,0]=4 14886 B12R0.255 CCOCCNC(=O)NCC(C)C 273464a_102516460346_100000210953 [0,2,0,0,0,0|2,0,0]=4 14887 B12R0.255 CCOCCNC(=O)NCC(C)C 512a_100000210953_100011200944 [0,2,0,0,0,0|2,0,0]=4 14888 B12R0.255 CCOCCNC(=O)NCC(C)C 512a_100011200944_100000210953 [0,2,0,0,0,0|2,0,0]=4 14889 B12R0.255 CCOCCNC(=O)NCC(C)O 2708a_100011200944_100000210904 [0,2,0,0,0,0|2,0,0]=4 14890 B12R0.255 CCOCCNC(=O)NCC(C)O 273464a_100000210904_102516460346 [0,2,0,0,0,0|2,0,0]=4 14891 B12R0.255 CCOCCNC(=O)NCC(C)O 273464a_102516460346_100000210904 [0,2,0,0,0,0|2,0,0]=4 14892 B12R0.255 CCOCCNC(=O)NCC(C)O 512a_100000210904_100011200944 [0,2,0,0,0,0|2,0,0]=4 14893 B12R0.255 CCOCCNC(=O)NCC(C)O 512a_100011200944_100000210904 [0,2,0,0,0,0|2,0,0]=4 14894 B12R0.255 CCOCCOC(=O)CNC(C)C 2230a_100138425928_200000101388 [0,2,0,0,0,0|1,0,0]=3 14895 B12R0.255 CCOCCOC(=O)CNC(C)C 34a_100138425928_200000101388 [0,2,0,0,0,0|1,0,0]=3 14896 B12R0.255 CCOCCOC(=O)COC(C)C 34a_100000212225_200000101388 [0,2,0,0,0,0|1,0,0]=3 14897 B12R0.255 CCOCCOC(=O)CSC(C)C 62a_100000210206_200000101388 [0,2,0,0,0,0|1,0,0]=3 14898 B12R0.255 CCOCCOC(=O)CSC(C)C 62a_200000101388_100000210206 [0,2,0,0,0,0|1,0,0]=3 14899 B12R0.255 CCSCCCC(=O)NCC(C)C 62a_100000210202_100011194448 [0,2,0,0,0,0|2,0,0]=4 14900 B12R0.255 CCSCCCC(=O)NCC(C)C 62a_100011194448_100000210202 [0,2,0,0,0,0|2,0,0]=4 14901 B12R0.255 CCSCCNC(=O)CCC(C)C 11a_100000106463_100000181311 [0,2,0,0,0,0|2,0,0]=4 14902 B12R0.255 CCSCCNC(=O)CCC(C)C 1626a_100000106463_100000181311 [0,2,0,0,0,0|2,0,0]=4 14903 B12R0.255 CCSCCNC(=O)CCC(C)C 240690a_100000106463_100000181311 [0,2,0,0,0,0|2,0,0]=4 14904 B12R0.255 CCSCCNC(=O)CCC(C)C 527a_100000106463_100000181311 [0,2,0,0,0,0|2,0,0]=4 14905 B12R0.255 CCSCCNC(=O)CCC(C)O 1626a_100000106463_100000718519 [0,2,0,0,0,0|2,0,0]=4 14906 B12R0.255 CCSCCNC(=O)CCN(C)C 11a_100000106463_100000689311 [0,2,0,0,0,0|2,0,0]=4 14907 B12R0.255 CCSCCNC(=O)CCN(C)C 240690a_100000106463_100000689311 [0,2,0,0,0,0|2,0,0]=4 14908 B12R0.255 CCSCCNC(=O)CCN(C)C 527a_100000106463_100000689311 [0,2,0,0,0,0|2,0,0]=4 14909 B12R0.255 CCSCCNC(=O)CC[S+](C)C 11a_100000106463_100009452791 [0,2,0,0,0,0|2,0,0]=4 14910 B12R0.255 CCSCCNC(=O)CC[S+](C)C 1626a_100000106463_100009452791 [0,2,0,0,0,0|2,0,0]=4 14911 B12R0.255 CCSCCNC(=O)CC[S+](C)C 240690a_100000106463_100009452791 [0,2,0,0,0,0|2,0,0]=4 14912 B12R0.255 CCSCCNC(=O)COC(C)C 11a_100000106463_100000745533 [0,2,0,0,0,0|2,0,0]=4 14913 B12R0.255 CCSCCNC(=O)COC(C)C 1626a_100000106463_100000745533 [0,2,0,0,0,0|2,0,0]=4 14914 B12R0.255 CCSCCNC(=O)COC(C)C 240690a_100000106463_100000745533 [0,2,0,0,0,0|2,0,0]=4 14915 B12R0.255 CCSCCNC(=O)COC(C)C 527a_100000106463_100000745533 [0,2,0,0,0,0|2,0,0]=4 14916 B12R0.255 CCSCCNC(=O)CSC(C)C 11a_100000106463_100000241585 [0,2,0,0,0,0|2,0,0]=4 14917 B12R0.255 CCSCCNC(=O)CSC(C)C 1626a_100000106463_100000241585 [0,2,0,0,0,0|2,0,0]=4 14918 B12R0.255 CCSCCNC(=O)CSC(C)C 240690a_100000106463_100000241585 [0,2,0,0,0,0|2,0,0]=4 14919 B12R0.255 CCSCCNC(=O)CSC(C)C 527a_100000106463_100000241585 [0,2,0,0,0,0|2,0,0]=4 14920 B12R0.255 CCSCCNC(=O)NCC(C)C 2708a_100000106463_100000210953 [0,2,0,0,0,0|2,0,0]=4 14921 B12R0.255 CCSCCNC(=O)NCC(C)C 2708a_100000210953_100000106463 [0,2,0,0,0,0|2,0,0]=4 14922 B12R0.255 CCSCCNC(=O)NCC(C)C 273464a_100000106463_100000210953 [0,2,0,0,0,0|2,0,0]=4 14923 B12R0.255 CCSCCNC(=O)NCC(C)C 273464a_100000210953_100000106463 [0,2,0,0,0,0|2,0,0]=4 14924 B12R0.255 CCSCCNC(=O)NCC(C)C 512a_100000106463_100000210953 [0,2,0,0,0,0|2,0,0]=4 14925 B12R0.255 CCSCCNC(=O)NCC(C)C 512a_100000210953_100000106463 [0,2,0,0,0,0|2,0,0]=4 14926 B12R0.255 CCSCCNC(=O)NCC(C)O 2708a_100000106463_100000210904 [0,2,0,0,0,0|2,0,0]=4 14927 B12R0.255 CCSCCNC(=O)NCC(C)O 273464a_100000106463_100000210904 [0,2,0,0,0,0|2,0,0]=4 14928 B12R0.255 CCSCCNC(=O)NCC(C)O 273464a_100000210904_100000106463 [0,2,0,0,0,0|2,0,0]=4 14929 B12R0.255 CCSCCNC(=O)NCC(C)O 512a_100000106463_100000210904 [0,2,0,0,0,0|2,0,0]=4 14930 B12R0.255 CCSCCNC(=O)NCC(C)O 512a_100000210904_100000106463 [0,2,0,0,0,0|2,0,0]=4 14931 B12R0.255 CN(C)CCC(=O)NCCCCO 240690a_100000750430_100000689311 [0,2,0,0,0,0|2,0,0]=4 14932 B12R0.255 CN(C)CCC(=O)NCCCCO 527a_100000750430_100000689311 [0,2,0,0,0,0|2,0,0]=4 14933 B12R0.255 COCCCCC(=O)CCC(C)C 1458a_100000181311_100000755781 [0,2,0,0,0,0|2,0,0]=4 14934 B12R0.255 COCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000755781 [0,2,0,0,0,0|2,0,0]=4 14935 B12R0.255 COCCCCC(=O)COC(C)C 1458a_100000745533_100000755781 [0,2,0,0,0,0|2,0,0]=4 14936 B12R0.255 COCCCCC(=O)CSC(C)C 1458a_100000241585_100000755781 [0,2,0,0,0,0|2,0,0]=4 14937 B12R0.255 COCCCNC(=O)CCC(C)C 1626a_100150723488_100000181311 [0,2,0,0,0,0|2,0,0]=4 14938 B12R0.255 COCCCNC(=O)CCC(C)C 240690a_100150723488_100000181311 [0,2,0,0,0,0|2,0,0]=4 14939 B12R0.255 COCCCNC(=O)CCC(C)C 527a_100150723488_100000181311 [0,2,0,0,0,0|2,0,0]=4 14940 B12R0.255 COCCCNC(=O)CCC(C)O 1626a_100150723488_100000718519 [0,2,0,0,0,0|2,0,0]=4 14941 B12R0.255 COCCCNC(=O)CCN(C)C 240690a_100150723488_100000689311 [0,2,0,0,0,0|2,0,0]=4 14942 B12R0.255 COCCCNC(=O)CCN(C)C 527a_100150723488_100000689311 [0,2,0,0,0,0|2,0,0]=4 14943 B12R0.255 COCCCNC(=O)CC[S+](C)C 1626a_100150723488_100009452791 [0,2,0,0,0,0|2,0,0]=4 14944 B12R0.255 COCCCNC(=O)CC[S+](C)C 240690a_100150723488_100009452791 [0,2,0,0,0,0|2,0,0]=4 14945 B12R0.255 COCCCNC(=O)CNC(C)C 2230a_100138425928_100000183178 [0,2,0,0,0,0|2,0,0]=4 14946 B12R0.255 COCCCNC(=O)CNC(C)C 34a_100138425928_100000183178 [0,2,0,0,0,0|2,0,0]=4 14947 B12R0.255 COCCCNC(=O)COC(C)C 1626a_100150723488_100000745533 [0,2,0,0,0,0|2,0,0]=4 14948 B12R0.255 COCCCNC(=O)COC(C)C 240690a_100150723488_100000745533 [0,2,0,0,0,0|2,0,0]=4 14949 B12R0.255 COCCCNC(=O)COC(C)C 34a_100000212225_100000183178 [0,2,0,0,0,0|2,0,0]=4 14950 B12R0.255 COCCCNC(=O)COC(C)C 527a_100150723488_100000745533 [0,2,0,0,0,0|2,0,0]=4 14951 B12R0.255 COCCCNC(=O)CSC(C)C 1626a_100150723488_100000241585 [0,2,0,0,0,0|2,0,0]=4 14952 B12R0.255 COCCCNC(=O)CSC(C)C 240690a_100150723488_100000241585 [0,2,0,0,0,0|2,0,0]=4 14953 B12R0.255 COCCCNC(=O)CSC(C)C 527a_100150723488_100000241585 [0,2,0,0,0,0|2,0,0]=4 14954 B12R0.255 COCCCNC(=O)CSC(C)C 62a_100000183178_100000210206 [0,2,0,0,0,0|2,0,0]=4 14955 B12R0.255 COCCCNC(=O)NCC(C)C 2708a_100000210953_100150723488 [0,2,0,0,0,0|2,0,0]=4 14956 B12R0.255 COCCCNC(=O)NCC(C)C 2708a_100150723488_100000210953 [0,2,0,0,0,0|2,0,0]=4 14957 B12R0.255 COCCCNC(=O)NCC(C)C 273464a_100000210953_100150723488 [0,2,0,0,0,0|2,0,0]=4 14958 B12R0.255 COCCCNC(=O)NCC(C)C 273464a_100150723488_100000210953 [0,2,0,0,0,0|2,0,0]=4 14959 B12R0.255 COCCCNC(=O)NCC(C)C 512a_100000210953_100150723488 [0,2,0,0,0,0|2,0,0]=4 14960 B12R0.255 COCCCNC(=O)NCC(C)O 2708a_100150723488_100000210904 [0,2,0,0,0,0|2,0,0]=4 14961 B12R0.255 COCCCNC(=O)NCC(C)O 273464a_100000210904_100150723488 [0,2,0,0,0,0|2,0,0]=4 14962 B12R0.255 COCCCNC(=O)NCC(C)O 273464a_100150723488_100000210904 [0,2,0,0,0,0|2,0,0]=4 14963 B12R0.255 COCCCNC(=O)NCC(C)O 512a_100000210904_100150723488 [0,2,0,0,0,0|2,0,0]=4 14964 B12R0.255 CSCCCNC(=O)CCC(C)C 11a_100000749238_100000181311 [0,2,0,0,0,0|2,0,0]=4 14965 B12R0.255 CSCCCNC(=O)CCC(C)C 1626a_100000749238_100000181311 [0,2,0,0,0,0|2,0,0]=4 14966 B12R0.255 CSCCCNC(=O)CCC(C)C 240690a_100000749238_100000181311 [0,2,0,0,0,0|2,0,0]=4 14967 B12R0.255 CSCCCNC(=O)CCC(C)C 527a_100000749238_100000181311 [0,2,0,0,0,0|2,0,0]=4 14968 B12R0.255 CSCCCNC(=O)CCC(C)O 1626a_100000749238_100000718519 [0,2,0,0,0,0|2,0,0]=4 14969 B12R0.255 CSCCCNC(=O)CCN(C)C 11a_100000749238_100000689311 [0,2,0,0,0,0|2,0,0]=4 14970 B12R0.255 CSCCCNC(=O)CCN(C)C 240690a_100000749238_100000689311 [0,2,0,0,0,0|2,0,0]=4 14971 B12R0.255 CSCCCNC(=O)CCN(C)C 527a_100000749238_100000689311 [0,2,0,0,0,0|2,0,0]=4 14972 B12R0.255 CSCCCNC(=O)CC[S+](C)C 11a_100000749238_100009452791 [0,2,0,0,0,0|2,0,0]=4 14973 B12R0.255 CSCCCNC(=O)CC[S+](C)C 1626a_100000749238_100009452791 [0,2,0,0,0,0|2,0,0]=4 14974 B12R0.255 CSCCCNC(=O)CC[S+](C)C 240690a_100000749238_100009452791 [0,2,0,0,0,0|2,0,0]=4 14975 B12R0.255 CSCCCNC(=O)COC(C)C 11a_100000749238_100000745533 [0,2,0,0,0,0|2,0,0]=4 14976 B12R0.255 CSCCCNC(=O)COC(C)C 1626a_100000749238_100000745533 [0,2,0,0,0,0|2,0,0]=4 14977 B12R0.255 CSCCCNC(=O)COC(C)C 240690a_100000749238_100000745533 [0,2,0,0,0,0|2,0,0]=4 14978 B12R0.255 CSCCCNC(=O)COC(C)C 527a_100000749238_100000745533 [0,2,0,0,0,0|2,0,0]=4 14979 B12R0.255 CSCCCNC(=O)CSC(C)C 11a_100000749238_100000241585 [0,2,0,0,0,0|2,0,0]=4 14980 B12R0.255 CSCCCNC(=O)CSC(C)C 1626a_100000749238_100000241585 [0,2,0,0,0,0|2,0,0]=4 14981 B12R0.255 CSCCCNC(=O)CSC(C)C 240690a_100000749238_100000241585 [0,2,0,0,0,0|2,0,0]=4 14982 B12R0.255 CSCCCNC(=O)CSC(C)C 527a_100000749238_100000241585 [0,2,0,0,0,0|2,0,0]=4 14983 B12R0.255 CSCCCNC(=O)NCC(C)C 2708a_100000210953_100000749238 [0,2,0,0,0,0|2,0,0]=4 14984 B12R0.255 CSCCCNC(=O)NCC(C)C 2708a_100000749238_100000210953 [0,2,0,0,0,0|2,0,0]=4 14985 B12R0.255 CSCCCNC(=O)NCC(C)C 273464a_100000210953_100000749238 [0,2,0,0,0,0|2,0,0]=4 14986 B12R0.255 CSCCCNC(=O)NCC(C)C 273464a_100000749238_100000210953 [0,2,0,0,0,0|2,0,0]=4 14987 B12R0.255 CSCCCNC(=O)NCC(C)C 512a_100000210953_100000749238 [0,2,0,0,0,0|2,0,0]=4 14988 B12R0.255 CSCCCNC(=O)NCC(C)C 512a_100000749238_100000210953 [0,2,0,0,0,0|2,0,0]=4 14989 B12R0.255 CSCCCNC(=O)NCC(C)O 2708a_100000749238_100000210904 [0,2,0,0,0,0|2,0,0]=4 14990 B12R0.255 CSCCCNC(=O)NCC(C)O 273464a_100000210904_100000749238 [0,2,0,0,0,0|2,0,0]=4 14991 B12R0.255 CSCCCNC(=O)NCC(C)O 273464a_100000749238_100000210904 [0,2,0,0,0,0|2,0,0]=4 14992 B12R0.255 CSCCCNC(=O)NCC(C)O 512a_100000210904_100000749238 [0,2,0,0,0,0|2,0,0]=4 14993 B12R0.255 CSCCCNC(=O)NCC(C)O 512a_100000749238_100000210904 [0,2,0,0,0,0|2,0,0]=4 14994 B12R0.255 C[S+](C)CCC(=O)CCCCCF 1458a_100009452791_100000729378 [0,2,0,0,0,0|2,0,0]=4 14995 B12R0.255 C[S+](C)CCC(=O)CCCCCO 1458a_100009452791_100000746330 [0,2,0,0,0,0|2,0,0]=4 14996 B12R0.255 C[S+](C)CCC(=O)NCCCCO 240690a_100000750430_100009452791 [0,2,0,0,0,0|2,0,0]=4 14997 B12R0.255 [13CH3]C(=O)CCC(=O)OCCCCO 1458a_200009914559_200025704644 [0,2,0,0,0,0|1,0,0]=3 14998 B12R0.585 CCCCCCS(=O)(=O)NCCC 270084a_100020643023_100011361803 [0,2,0,0,0,0|2,0,0]=4 14999 B12R0.585 CCCCCCS(=O)(=O)NCCC 274078a_100020643023_100011361803 [0,2,0,0,0,0|2,0,0]=4 15000 B12R0.585 CCCCCNS(=O)(=O)CCCC 270084a_100000209983_100000212082 [0,2,0,0,0,0|2,0,0]=4 15001 B12R0.585 CCCCCNS(=O)(=O)CCCC 274078a_100000209983_100000212082 [0,2,0,0,0,0|2,0,0]=4 15002 B12R0.585 CCCCCNS(=O)(=O)CCCC 40a_100000209983_100000054263 [0,2,0,0,0,0|2,0,0]=4 15003 B12R0.585 CCCCCNS(=O)(=O)CCCCl 270084a_100000209983_100000211827 [0,2,0,0,0,0|2,0,0]=4 15004 B12R0.585 CCCCCNS(=O)(=O)CCCF 270084a_100000209983_200000759752 [0,2,0,0,0,0|2,0,0]=4 15005 B12R0.585 CCCCCNS(=O)(=O)CCCF 274078a_100000209983_200000759752 [0,2,0,0,0,0|2,0,0]=4 15006 B12R0.585 CCCCCNS(=O)(=O)CCOC 270084a_100000209983_100000745348 [0,2,0,0,0,0|2,0,0]=4 15007 B12R0.585 CCCCCNS(=O)(=O)CCOC 274078a_100000209983_100000745348 [0,2,0,0,0,0|2,0,0]=4 15008 B12R0.585 CCCCCOC(C)(C)CCCBr 7a_100009888830_100000210326 [0,2,0,0,0,0|1,0,1]=4 15009 B12R0.585 CCCCCOC(C)(C)CCCC 7a_100011219641_100000210326 [0,2,0,0,0,0|1,0,1]=4 15010 B12R0.648 C#CCCC(=O)C(C)CCCCC 1458a_100000692101_200011218191 [0,2,0,0,0,0|1,0,1]=4 15011 B12R0.648 C#CCCC(=O)C(C)CCCCC 1458a_100011215998_100000753159 [0,2,0,0,0,0|1,0,1]=4 15012 B12R0.648 C#CCCC(=O)N(C)CCCCC 11a_100000223495_100000692101 [0,2,0,0,0,0|1,0,1]=4 15013 B12R0.648 C#CCCC(=O)N(C)CCCCC 1626a_100000223495_100000692101 [0,2,0,0,0,0|1,0,1]=4 15014 B12R0.648 C#CCCC(=O)N(C)CCCCC 240690a_100000223495_100000692101 [0,2,0,0,0,0|1,0,1]=4 15015 B12R0.648 C#CCCC(=O)N(C)CCCCC 527a_100000223495_100000692101 [0,2,0,0,0,0|1,0,1]=4 15016 B12R0.648 C/C=C/CC(=O)C(C)CCCCC 1458a_100011215998_100102629194 [0,2,0,0,0,0|1,0,1]=4 15017 B12R0.648 C=CCCC(=O)C(C)CCCCC 1458a_100000749702_200011218191 [0,2,0,0,0,0|1,0,1]=4 15018 B12R0.648 C=CCCC(=O)C(C)CCCCC 1458a_100011215998_100000754431 [0,2,0,0,0,0|1,0,1]=4 15019 B12R0.648 C=CCCC(=O)N(C)CCCCC 11a_100000223495_100000749702 [0,2,0,0,0,0|1,0,1]=4 15020 B12R0.648 C=CCCC(=O)N(C)CCCCC 1626a_100000223495_100000749702 [0,2,0,0,0,0|1,0,1]=4 15021 B12R0.648 C=CCCC(=O)N(C)CCCCC 240690a_100000223495_100000749702 [0,2,0,0,0,0|1,0,1]=4 15022 B12R0.648 C=CCCC(=O)N(C)CCCCC 527a_100000223495_100000749702 [0,2,0,0,0,0|1,0,1]=4 15023 B12R0.648 CC#CCC(=O)C(C)CCCCC 1458a_100011215998_100000748600 [0,2,0,0,0,0|1,0,1]=4 15024 B12R0.648 CC=CCC(=O)C(C)CCCCC 1458a_100011215998_100000070051 [0,2,0,0,0,0|1,0,1]=4 15025 B12R0.648 CC=CCC(=O)C(C)CCCCC 1458a_100121576822_200011218191 [0,2,0,0,0,0|1,0,1]=4 15026 B12R0.648 CC=CCC(=O)N(C)CCCCC 11a_100000223495_100121576822 [0,2,0,0,0,0|1,0,1]=4 15027 B12R0.648 CC=CCC(=O)N(C)CCCCC 1626a_100000223495_100121576822 [0,2,0,0,0,0|1,0,1]=4 15028 B12R0.648 CC=CCC(=O)N(C)CCCCC 240690a_100000223495_100121576822 [0,2,0,0,0,0|1,0,1]=4 15029 B12R0.648 CC=CCC(=O)N(C)CCCCC 527a_100000223495_100121576822 [0,2,0,0,0,0|1,0,1]=4 15030 B12R0.648 CCC#CC(=O)C(C)CCCCC 1458a_100011827653_200011218191 [0,2,0,0,0,0|1,0,1]=4 15031 B12R0.648 CCC/C=C(\C)/C(=O)CCCCC 1458a_200020648666_100000210326 [0,2,0,0,0,0|2,0,0]=4 15032 B12R0.648 CCC=CC(=O)C(C)CCCCC 1458a_100000212282_200011218191 [0,2,0,0,0,0|1,0,1]=4 15033 B12R0.648 CCC=CC(=O)N(C)CCCCC 11a_100000223495_100000212282 [0,2,0,0,0,0|1,0,1]=4 15034 B12R0.648 CCC=CC(=O)N(C)CCCCC 1626a_100000223495_100000212282 [0,2,0,0,0,0|1,0,1]=4 15035 B12R0.648 CCC=CC(=O)N(C)CCCCC 240690a_100000223495_100000212282 [0,2,0,0,0,0|1,0,1]=4 15036 B12R0.648 CCCCC(=O)N(C)CCCCO 240690a_100000717598_100000210183 [0,2,0,0,0,0|2,0,0]=4 15037 B12R0.648 CCCCC(=O)N(C)CCCOC 11a_100000224831_100000210183 [0,2,0,0,0,0|2,0,0]=4 15038 B12R0.648 CCCCC(=O)N(C)CCCOC 1626a_100000224831_100000210183 [0,2,0,0,0,0|2,0,0]=4 15039 B12R0.648 CCCCC(=O)N(C)CCCOC 240690a_100000224831_100000210183 [0,2,0,0,0,0|2,0,0]=4 15040 B12R0.648 CCCCC(=O)N(C)CCCOC 527a_100000224831_100000210183 [0,2,0,0,0,0|2,0,0]=4 15041 B12R0.648 CCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210326 [0,2,0,0,0,0|1,0,0]=3 15042 B12R0.648 CCCCCC(C)C(=O)CCC#N 1458a_100011215998_100011215226 [0,2,0,0,0,0|1,0,1]=4 15043 B12R0.648 CCCCCC(C)C(=O)CCC#N 1458a_100011934036_200011218191 [0,2,0,0,0,0|1,0,1]=4 15044 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100000210183_200011218191 [0,2,0,0,0,0|1,0,0]=3 15045 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100011215998_100000210211 [0,2,0,0,0,0|1,0,0]=3 15046 B12R0.648 CCCCCC(C)C(=O)CCCF 1458a_100011215998_100011934791 [0,2,0,0,0,0|1,0,0]=3 15047 B12R0.648 CCCCCC(C)C(=O)CCCO 1458a_100011215998_100011215043 [0,2,0,0,0,0|1,0,0]=3 15048 B12R0.648 CCCCCC(C)C(=O)CCOC 1458a_100000749529_200011218191 [0,2,0,0,0,0|1,0,0]=3 15049 B12R0.648 CCCCCC(C)C(=O)CCOC 1458a_100011215998_100000233755 [0,2,0,0,0,0|1,0,0]=3 15050 B12R0.648 CCCCCC(C)C(=O)CCSC 1458a_100000174002_200011218191 [0,2,0,0,0,0|1,0,0]=3 15051 B12R0.648 CCCCCC(C)C(=O)CCSC 1458a_100011215998_100000751147 [0,2,0,0,0,0|1,0,0]=3 15052 B12R0.648 CCCCCC(C)C(=O)COCC 1458a_100000211967_200011218191 [0,2,0,0,0,0|1,0,0]=3 15053 B12R0.648 CCCCCC(C)C(=O)CSCC 1458a_100000230394_200011218191 [0,2,0,0,0,0|1,0,0]=3 15054 B12R0.648 CCCCCC(C)C(=O)NCCC 11a_100020643023_100011215998 [0,2,0,0,0,0|1,0,0]=3 15055 B12R0.648 CCCCCC(C)C(=O)NCCC 1626a_100020643023_100011215998 [0,2,0,0,0,0|1,0,0]=3 15056 B12R0.648 CCCCCC(C)C(=O)NCCC 240690a_100020643023_100011215998 [0,2,0,0,0,0|1,0,0]=3 15057 B12R0.648 CCCCCC(C)C(=O)NCCC 527a_100020643023_100011215998 [0,2,0,0,0,0|1,0,0]=3 15058 B12R0.648 CCCCCC(C)C(=O)NCCF 11a_100000724931_100011215998 [0,2,0,0,0,0|2,0,0]=4 15059 B12R0.648 CCCCCC(C)C(=O)NCCF 1626a_100000724931_100011215998 [0,2,0,0,0,0|2,0,0]=4 15060 B12R0.648 CCCCCC(C)C(=O)NCCF 240690a_100000724931_100011215998 [0,2,0,0,0,0|2,0,0]=4 15061 B12R0.648 CCCCCC(C)C(=O)NCCF 527a_100000724931_100011215998 [0,2,0,0,0,0|2,0,0]=4 15062 B12R0.648 CCCCCC(C)C(=O)NCCO 240690a_100000210304_100011215998 [0,2,0,0,0,0|2,0,0]=4 15063 B12R0.648 CCCCCC(C)C(=O)NCCO 527a_100000210304_100011215998 [0,2,0,0,0,0|2,0,0]=4 15064 B12R0.648 CCCCCC(C)C(=O)NNCC 22a_100000756455_100011215998 [0,2,0,0,0,0|2,0,0]=4 15065 B12R0.648 CCCCCN(C)C(=O)CCC#N 11a_100000223495_100011934036 [0,2,0,0,0,0|1,0,1]=4 15066 B12R0.648 CCCCCN(C)C(=O)CCC#N 1626a_100000223495_100011934036 [0,2,0,0,0,0|1,0,1]=4 15067 B12R0.648 CCCCCN(C)C(=O)CCC#N 240690a_100000223495_100011934036 [0,2,0,0,0,0|1,0,1]=4 15068 B12R0.648 CCCCCN(C)C(=O)CCC#N 527a_100000223495_100011934036 [0,2,0,0,0,0|1,0,1]=4 15069 B12R0.648 CCCCCN(C)C(=O)CCCC 11a_100000223495_100000210183 [0,2,0,0,0,0|1,0,0]=3 15070 B12R0.648 CCCCCN(C)C(=O)CCCC 1626a_100000223495_100000210183 [0,2,0,0,0,0|1,0,0]=3 15071 B12R0.648 CCCCCN(C)C(=O)CCCC 240690a_100000223495_100000210183 [0,2,0,0,0,0|1,0,0]=3 15072 B12R0.648 CCCCCN(C)C(=O)CCCC 527a_100000223495_100000210183 [0,2,0,0,0,0|1,0,0]=3 15073 B12R0.648 CCCCCN(C)C(=O)CCOC 11a_100000223495_100000749529 [0,2,0,0,0,0|1,0,0]=3 15074 B12R0.648 CCCCCN(C)C(=O)CCOC 1626a_100000223495_100000749529 [0,2,0,0,0,0|1,0,0]=3 15075 B12R0.648 CCCCCN(C)C(=O)CCOC 240690a_100000223495_100000749529 [0,2,0,0,0,0|1,0,0]=3 15076 B12R0.648 CCCCCN(C)C(=O)CCOC 527a_100000223495_100000749529 [0,2,0,0,0,0|1,0,0]=3 15077 B12R0.648 CCCCCN(C)C(=O)CCSC 11a_100000223495_100000174002 [0,2,0,0,0,0|1,0,0]=3 15078 B12R0.648 CCCCCN(C)C(=O)CCSC 1626a_100000223495_100000174002 [0,2,0,0,0,0|1,0,0]=3 15079 B12R0.648 CCCCCN(C)C(=O)CCSC 240690a_100000223495_100000174002 [0,2,0,0,0,0|1,0,0]=3 15080 B12R0.648 CCCCCN(C)C(=O)CCSC 527a_100000223495_100000174002 [0,2,0,0,0,0|1,0,0]=3 15081 B12R0.648 CCCCCN(C)C(=O)COCC 11a_100000223495_100000211967 [0,2,0,0,0,0|1,0,0]=3 15082 B12R0.648 CCCCCN(C)C(=O)COCC 1626a_100000223495_100000211967 [0,2,0,0,0,0|1,0,0]=3 15083 B12R0.648 CCCCCN(C)C(=O)COCC 240690a_100000223495_100000211967 [0,2,0,0,0,0|1,0,0]=3 15084 B12R0.648 CCCCCN(C)C(=O)COCC 527a_100000223495_100000211967 [0,2,0,0,0,0|1,0,0]=3 15085 B12R0.648 CCCCCN(C)C(=O)CSCC 11a_100000223495_100000230394 [0,2,0,0,0,0|1,0,0]=3 15086 B12R0.648 CCCCCN(C)C(=O)CSCC 1626a_100000223495_100000230394 [0,2,0,0,0,0|1,0,0]=3 15087 B12R0.648 CCCCCN(C)C(=O)CSCC 240690a_100000223495_100000230394 [0,2,0,0,0,0|1,0,0]=3 15088 B12R0.648 CCCCCN(C)C(=O)CSCC 527a_100000223495_100000230394 [0,2,0,0,0,0|1,0,0]=3 15089 B12R0.648 CCCCCN(C)C(=O)NCCC 2708a_100020643023_100000223495 [0,2,0,0,0,0|1,0,0]=3 15090 B12R0.648 CCCCCN(C)C(=O)NCCC 273464a_100020643023_100000223495 [0,2,0,0,0,0|1,0,0]=3 15091 B12R0.648 CCCCCN(C)C(=O)NCCF 273464a_100000724931_100000223495 [0,2,0,0,0,0|2,0,0]=4 15092 B12R0.648 CCCCCN(C)C(=O)NCCO 273464a_100000210304_100000223495 [0,2,0,0,0,0|2,0,0]=4 15093 B12R0.648 CCCCNC(=O)C(=O)NCCC 1626a_100000102301_200011297150 [0,2,0,0,0,0|2,0,0]=4 15094 B12R0.648 CCCCNC(=O)C(=O)NCCC 240690a_100000102301_200011297150 [0,2,0,0,0,0|2,0,0]=4 15095 B12R0.648 CCCCNC(=O)C(=O)NCCC 527a_100000102301_200011297150 [0,2,0,0,0,0|2,0,0]=4 15096 B12R0.648 CCCCNC(C)C(=O)NCCC 2230a_100000102301_100000230305 [0,2,0,0,0,0|2,0,0]=4 15097 B12R0.648 CCCCNC(C)C(=O)NCCC 2230a_100025744714_100000210211 [0,2,0,0,0,0|2,0,0]=4 15098 B12R0.648 CCCCNC(C)C(=O)NCCC 34a_100025744714_100000210210 [0,2,0,0,0,0|2,0,0]=4 15099 B12R0.648 CCCCNC(C)C(=O)NCCC 7a_106832991798_100000230305 [0,2,0,0,0,0|2,0,0]=4 15100 B12R0.648 CCCCNC(C)C(=O)OCCC 2230a_100000102301_100000760410 [0,2,0,0,0,0|2,0,0]=4 15101 B12R0.648 CCCCNC(C)C(=O)OCCC 7a_106832991798_100000760410 [0,2,0,0,0,0|2,0,0]=4 15102 B12R0.648 CCCCOC(C)C(=O)NCCC 34a_100000210227_100000230305 [0,2,0,0,0,0|2,0,0]=4 15103 B12R0.648 CCCCOC(C)C(=O)NCCC 7a_100000210227_100000230305 [0,2,0,0,0,0|2,0,0]=4 15104 B12R0.648 CCCCOC(C)C(=O)OCCC 34a_100000037348_100000210210 [0,2,0,0,0,0|2,0,0]=4 15105 B12R0.648 CCCCOC(C)C(=O)OCCC 34a_100000210227_100000760410 [0,2,0,0,0,0|2,0,0]=4 15106 B12R0.648 CCCCOC(C)C(=O)OCCC 7a_100000037348_100000210211 [0,2,0,0,0,0|2,0,0]=4 15107 B12R0.648 CCCCOC(C)C(=O)OCCC 7a_100000210227_100000760410 [0,2,0,0,0,0|2,0,0]=4 15108 B12R0.648 CCCCSC(C)C(=O)CCCC 1458a_100000191163_100000210211 [0,2,0,0,0,0|2,0,0]=4 15109 B12R0.648 CCCCSC(C)C(=O)CCCF 1458a_100000191163_100011934791 [0,2,0,0,0,0|2,0,0]=4 15110 B12R0.648 CCCCSC(C)C(=O)CCCO 1458a_100000191163_100011215043 [0,2,0,0,0,0|2,0,0]=4 15111 B12R0.648 CCCCSC(C)C(=O)CCOC 1458a_100000191163_100000233755 [0,2,0,0,0,0|2,0,0]=4 15112 B12R0.648 CCCCSC(C)C(=O)CCSC 1458a_100000191163_100000751147 [0,2,0,0,0,0|2,0,0]=4 15113 B12R0.648 CCCCSC(C)C(=O)NCCC 11a_100020643023_100000191163 [0,2,0,0,0,0|2,0,0]=4 15114 B12R0.648 CCCCSC(C)C(=O)NCCC 1626a_100020643023_100000191163 [0,2,0,0,0,0|2,0,0]=4 15115 B12R0.648 CCCCSC(C)C(=O)NCCC 240690a_100020643023_100000191163 [0,2,0,0,0,0|2,0,0]=4 15116 B12R0.648 CCCCSC(C)C(=O)NCCC 527a_100020643023_100000191163 [0,2,0,0,0,0|2,0,0]=4 15117 B12R0.648 CCCCSC(C)C(=O)NCCC 62a_100000210211_100000230305 [0,2,0,0,0,0|2,0,0]=4 15118 B12R0.648 CCCCSC(C)C(=O)NCCC 62a_100000230305_100000210210 [0,2,0,0,0,0|2,0,0]=4 15119 B12R0.648 CCCCSC(C)C(=O)OCCC 62a_100000210211_100000760410 [0,2,0,0,0,0|2,0,0]=4 15120 B12R0.648 CCCCSC(C)C(=O)OCCC 62a_100000760410_100000210210 [0,2,0,0,0,0|2,0,0]=4 15121 B12R0.648 CCCNC(=O)C(=O)CCCCF 1458a_200011297150_100000729493 [0,2,0,0,0,0|2,0,0]=4 15122 B12R0.648 CCCNC(=O)C(=O)CCCCO 1458a_200011297150_100000210776 [0,2,0,0,0,0|2,0,0]=4 15123 B12R0.648 CCCNC(=O)C(=O)CCCOC 1458a_200011297150_100000740836 [0,2,0,0,0,0|2,0,0]=4 15124 B12R0.648 CCCNC(=O)C(=O)CCOCC 1458a_200011297150_100011215890 [0,2,0,0,0,0|2,0,0]=4 15125 B12R0.648 CCCNC(=O)C(=O)CCSCC 1458a_200011297150_100000757381 [0,2,0,0,0,0|2,0,0]=4 15126 B12R0.648 CCCNC(=O)N(C)CCCCO 2708a_100020643023_100000717598 [0,2,0,0,0,0|2,0,0]=4 15127 B12R0.648 CCCNC(=O)N(C)CCCCO 273464a_100020643023_100000717598 [0,2,0,0,0,0|2,0,0]=4 15128 B12R0.648 CCCNC(=O)N(C)CCCOC 2708a_100020643023_100000224831 [0,2,0,0,0,0|2,0,0]=4 15129 B12R0.648 CCCNC(=O)N(C)CCCOC 273464a_100020643023_100000224831 [0,2,0,0,0,0|2,0,0]=4 15130 B12R0.648 CCOCC(=O)N(C)CCCCO 240690a_100000717598_100000211967 [0,2,0,0,0,0|2,0,0]=4 15131 B12R0.648 CCOCC(=O)N(C)CCCOC 11a_100000224831_100000211967 [0,2,0,0,0,0|2,0,0]=4 15132 B12R0.648 CCOCC(=O)N(C)CCCOC 1626a_100000224831_100000211967 [0,2,0,0,0,0|2,0,0]=4 15133 B12R0.648 CCOCC(=O)N(C)CCCOC 240690a_100000224831_100000211967 [0,2,0,0,0,0|2,0,0]=4 15134 B12R0.648 CCOCC(=O)N(C)CCCOC 527a_100000224831_100000211967 [0,2,0,0,0,0|2,0,0]=4 15135 B12R0.648 CCSCC(=O)N(C)CCCCO 240690a_100000717598_100000230394 [0,2,0,0,0,0|2,0,0]=4 15136 B12R0.648 CCSCC(=O)N(C)CCCOC 11a_100000224831_100000230394 [0,2,0,0,0,0|2,0,0]=4 15137 B12R0.648 CCSCC(=O)N(C)CCCOC 1626a_100000224831_100000230394 [0,2,0,0,0,0|2,0,0]=4 15138 B12R0.648 CCSCC(=O)N(C)CCCOC 240690a_100000224831_100000230394 [0,2,0,0,0,0|2,0,0]=4 15139 B12R0.648 CCSCC(=O)N(C)CCCOC 527a_100000224831_100000230394 [0,2,0,0,0,0|2,0,0]=4 15140 B12R0.648 COCCC(=O)N(C)CCCCO 240690a_100000717598_100000749529 [0,2,0,0,0,0|2,0,0]=4 15141 B12R0.648 COCCCN(C)C(=O)CCOC 11a_100000224831_100000749529 [0,2,0,0,0,0|2,0,0]=4 15142 B12R0.648 COCCCN(C)C(=O)CCOC 1626a_100000224831_100000749529 [0,2,0,0,0,0|2,0,0]=4 15143 B12R0.648 COCCCN(C)C(=O)CCOC 240690a_100000224831_100000749529 [0,2,0,0,0,0|2,0,0]=4 15144 B12R0.648 COCCCN(C)C(=O)CCOC 527a_100000224831_100000749529 [0,2,0,0,0,0|2,0,0]=4 15145 B12R0.648 COCCCN(C)C(=O)CCSC 11a_100000224831_100000174002 [0,2,0,0,0,0|2,0,0]=4 15146 B12R0.648 COCCCN(C)C(=O)CCSC 1626a_100000224831_100000174002 [0,2,0,0,0,0|2,0,0]=4 15147 B12R0.648 COCCCN(C)C(=O)CCSC 240690a_100000224831_100000174002 [0,2,0,0,0,0|2,0,0]=4 15148 B12R0.648 COCCCN(C)C(=O)CCSC 527a_100000224831_100000174002 [0,2,0,0,0,0|2,0,0]=4 15149 B12R0.648 CSCCC(=O)N(C)CCCCO 240690a_100000717598_100000174002 [0,2,0,0,0,0|2,0,0]=4 15150 B12R0.86 CC(C)CCCCC(=O)C(O)CO 1458a_100011215603_100011216152 [0,2,0,0,0,0|2,0,0]=4 15151 B12R0.86 CC(C)CCCNC(=O)C(O)CO 240690a_200000737386_100011215603 [0,2,0,0,0,0|2,0,0]=4 15152 B12R0.86 CCC(C)C(=O)CCCCC(=O)C 1458a_100011192722_100000735457 [0,2,0,0,0,0|1,0,1]=4 15153 B12R0.86 CCC(C)C(=O)CCCCC(C)C 1458a_100011192722_100011216152 [0,2,0,0,0,0|1,0,0]=3 15154 B12R0.86 CCC(C)C(=O)CCCCC(C)C 1458a_100011933920_100000758301 [0,2,0,0,0,0|1,0,0]=3 15155 B12R0.86 CCC(C)C(=O)NCCCC(C)C 11a_200000737386_100011192722 [0,2,0,0,0,0|1,0,0]=3 15156 B12R0.86 CCC(C)C(=O)NCCCC(C)C 1626a_200000737386_100011192722 [0,2,0,0,0,0|1,0,0]=3 15157 B12R0.86 CCC(C)C(=O)NCCCC(C)C 240690a_200000737386_100011192722 [0,2,0,0,0,0|1,0,0]=3 15158 B12R0.86 CCC(C)C(=O)NCCCC(C)C 527a_200000737386_100011192722 [0,2,0,0,0,0|1,0,0]=3 15159 B12R0.86 CCC(C)C(=O)NCCCN(C)C 240690a_102531767803_100011192722 [0,2,0,0,0,0|2,0,0]=4 15160 B12R0.86 CCC(C)C(=O)NCCCN(C)C 527a_102531767803_100011192722 [0,2,0,0,0,0|2,0,0]=4 15161 B12R0.86 CCC(C)C(=O)NCCCS(=O)C 11a_200000753449_100011192722 [0,2,0,0,0,0|2,0,0]=4 15162 B12R0.86 CCC(C)C(=O)NCCCS(=O)C 240690a_200000753449_100011192722 [0,2,0,0,0,0|2,0,0]=4 15163 B12R0.86 CCC(C)C(=O)NCCCS(=O)C 527a_200000753449_100011192722 [0,2,0,0,0,0|2,0,0]=4 15164 B12R0.86 CCC(C)C(=O)NCCOC(C)C 11a_100000701111_100011192722 [0,2,0,0,0,0|2,0,0]=4 15165 B12R0.86 CCC(C)C(=O)NCCOC(C)C 1626a_100000701111_100011192722 [0,2,0,0,0,0|2,0,0]=4 15166 B12R0.86 CCC(C)C(=O)NCCOC(C)C 240690a_100000701111_100011192722 [0,2,0,0,0,0|2,0,0]=4 15167 B12R0.86 CCC(C)C(=O)NCCOC(C)C 527a_100000701111_100011192722 [0,2,0,0,0,0|2,0,0]=4 15168 B12R0.86 CCC(C)C(=O)NCCSC(C)C 11a_100000731138_100011192722 [0,2,0,0,0,0|2,0,0]=4 15169 B12R0.86 CCC(C)C(=O)NCCSC(C)C 1626a_100000731138_100011192722 [0,2,0,0,0,0|2,0,0]=4 15170 B12R0.86 CCC(C)C(=O)NCCSC(C)C 240690a_100000731138_100011192722 [0,2,0,0,0,0|2,0,0]=4 15171 B12R0.86 CCC(C)C(=O)NCCSC(C)C 527a_100000731138_100011192722 [0,2,0,0,0,0|2,0,0]=4 15172 B12R0.86 CCC(C)C(C)OCCCC(C)C 7a_100011215189_100011214892 [0,2,0,0,0,0|1,0,1]=4 15173 B12R0.86 CCC(C)C(C)OCCCC(C)O 7a_100011215189_200000718107 [0,2,0,0,0,0|1,0,1]=4 15174 B12R0.86 CCC(O)C(=O)CCCCC(=O)C 1458a_100011196387_100000735457 [0,2,0,0,0,0|1,0,1]=4 15175 B12R0.86 CCC(O)C(=O)CCCCC(C)C 1458a_100011196387_100011216152 [0,2,0,0,0,0|1,0,0]=3 15176 B12R0.86 CCC(O)C(=O)NCCCC(C)C 240690a_200000737386_100011196387 [0,2,0,0,0,0|1,0,0]=3 15177 B12R0.86 CCC(O)C(=O)NCCCN(C)C 240690a_102531767803_100011196387 [0,2,0,0,0,0|2,0,0]=4 15178 B12R0.86 CCC(O)C(=O)NCCCS(=O)C 240690a_200000753449_100011196387 [0,2,0,0,0,0|2,0,0]=4 15179 B12R0.86 CCC(O)C(=O)NCCOC(C)C 240690a_100000701111_100011196387 [0,2,0,0,0,0|2,0,0]=4 15180 B12R0.86 CCC(O)C(=O)NCCSC(C)C 240690a_100000731138_100011196387 [0,2,0,0,0,0|2,0,0]=4 15181 B12R0.86 CCN(C)C(=O)CCCCC(C)C 11a_100000225621_100011933920 [0,2,0,0,0,0|2,0,0]=4 15182 B12R0.86 CCN(C)C(=O)CCCCC(C)C 1626a_100000225621_100011933920 [0,2,0,0,0,0|2,0,0]=4 15183 B12R0.86 CCN(C)C(=O)CCCCC(C)C 240690a_100000225621_100011933920 [0,2,0,0,0,0|2,0,0]=4 15184 B12R0.86 CCN(C)C(=O)CCCCC(C)C 527a_100000225621_100011933920 [0,2,0,0,0,0|2,0,0]=4 15185 B12R0.86 CCN(C)C(=O)NCCCC(C)C 2708a_200000737386_100000225621 [0,2,0,0,0,0|2,0,0]=4 15186 B12R0.86 CCN(C)C(=O)NCCCC(C)C 273464a_200000737386_100000225621 [0,2,0,0,0,0|2,0,0]=4 15187 B12R0.86 COC(C)C(=O)CCCCC(C)C 1458a_100000743197_100011216152 [0,2,0,0,0,0|2,0,0]=4 15188 B12R0.86 COC(C)C(=O)NCCCC(C)C 11a_200000737386_100000743197 [0,2,0,0,0,0|2,0,0]=4 15189 B12R0.86 COC(C)C(=O)NCCCC(C)C 1626a_200000737386_100000743197 [0,2,0,0,0,0|2,0,0]=4 15190 B12R0.86 COC(C)C(=O)NCCCC(C)C 240690a_200000737386_100000743197 [0,2,0,0,0,0|2,0,0]=4 15191 B12R0.86 COC(C)C(=O)NCCCC(C)C 527a_200000737386_100000743197 [0,2,0,0,0,0|2,0,0]=4 15192 B12R0.86 CSC(C)C(=O)CCCCC(C)C 1458a_100000149566_100011216152 [0,2,0,0,0,0|2,0,0]=4 15193 B12R0.86 CSC(C)C(=O)NCCCC(C)C 11a_200000737386_100000149566 [0,2,0,0,0,0|2,0,0]=4 15194 B12R0.86 CSC(C)C(=O)NCCCC(C)C 1626a_200000737386_100000149566 [0,2,0,0,0,0|2,0,0]=4 15195 B12R0.86 CSC(C)C(=O)NCCCC(C)C 240690a_200000737386_100000149566 [0,2,0,0,0,0|2,0,0]=4 15196 B12R0.86 CSC(C)C(=O)NCCCC(C)C 527a_200000737386_100000149566 [0,2,0,0,0,0|2,0,0]=4 15197 B12R0.110 CCC(C)C(=O)N(C)CCCCO 240690a_100000717598_100011192722 [0,2,0,0,0,0|2,0,0]=4 15198 B12R0.110 CCC(C)C(=O)N(C)CCCOC 11a_100000224831_100011192722 [0,2,0,0,0,0|2,0,0]=4 15199 B12R0.110 CCC(C)C(=O)N(C)CCCOC 1626a_100000224831_100011192722 [0,2,0,0,0,0|2,0,0]=4 15200 B12R0.110 CCC(C)C(=O)N(C)CCCOC 240690a_100000224831_100011192722 [0,2,0,0,0,0|2,0,0]=4 15201 B12R0.110 CCC(C)C(=O)N(C)CCCOC 527a_100000224831_100011192722 [0,2,0,0,0,0|2,0,0]=4 15202 B12R0.110 CCC(O)C(=O)N(C)CCCCO 240690a_100000717598_100011196387 [0,2,0,0,0,0|2,0,0]=4 15203 B12R0.110 CCC(O)C(=O)N(C)CCCOC 240690a_100000224831_100011196387 [0,2,0,0,0,0|2,0,0]=4 15204 B12R0.110 CCCCCC(C)C(=O)C(C)CC 1458a_100011192722_200011218191 [0,2,0,0,0,0|1,0,0]=3 15205 B12R0.110 CCCCCC(C)C(=O)C(C)CC 1458a_100011215998_100000758301 [0,2,0,0,0,0|1,0,0]=3 15206 B12R0.110 CCCCCC(C)C(=O)C(C)OC 1458a_100000743197_200011218191 [0,2,0,0,0,0|2,0,0]=4 15207 B12R0.110 CCCCCC(C)C(=O)C(C)SC 1458a_100000149566_200011218191 [0,2,0,0,0,0|2,0,0]=4 15208 B12R0.110 CCCCCC(C)C(=O)C(O)CC 1458a_100011196387_200011218191 [0,2,0,0,0,0|1,0,0]=3 15209 B12R0.110 CCCCCC(C)C(=O)C(O)CO 1458a_100011215603_200011218191 [0,2,0,0,0,0|2,0,0]=4 15210 B12R0.110 CCCCCC(C)C(=O)N(C)CC 11a_100000225621_100011215998 [0,2,0,0,0,0|2,0,0]=4 15211 B12R0.110 CCCCCC(C)C(=O)N(C)CC 1626a_100000225621_100011215998 [0,2,0,0,0,0|2,0,0]=4 15212 B12R0.110 CCCCCC(C)C(=O)N(C)CC 240690a_100000225621_100011215998 [0,2,0,0,0,0|2,0,0]=4 15213 B12R0.110 CCCCCC(C)C(=O)N(C)CC 527a_100000225621_100011215998 [0,2,0,0,0,0|2,0,0]=4 15214 B12R0.110 CCCCCN(C)C(=O)C(C)CC 11a_100000223495_100011192722 [0,2,0,0,0,0|1,0,0]=3 15215 B12R0.110 CCCCCN(C)C(=O)C(C)CC 1626a_100000223495_100011192722 [0,2,0,0,0,0|1,0,0]=3 15216 B12R0.110 CCCCCN(C)C(=O)C(C)CC 240690a_100000223495_100011192722 [0,2,0,0,0,0|1,0,0]=3 15217 B12R0.110 CCCCCN(C)C(=O)C(C)CC 527a_100000223495_100011192722 [0,2,0,0,0,0|1,0,0]=3 15218 B12R0.110 CCCCCN(C)C(=O)C(C)OC 11a_100000223495_100000743197 [0,2,0,0,0,0|2,0,0]=4 15219 B12R0.110 CCCCCN(C)C(=O)C(C)OC 1626a_100000223495_100000743197 [0,2,0,0,0,0|2,0,0]=4 15220 B12R0.110 CCCCCN(C)C(=O)C(C)OC 240690a_100000223495_100000743197 [0,2,0,0,0,0|2,0,0]=4 15221 B12R0.110 CCCCCN(C)C(=O)C(C)OC 527a_100000223495_100000743197 [0,2,0,0,0,0|2,0,0]=4 15222 B12R0.110 CCCCCN(C)C(=O)C(C)SC 11a_100000223495_100000149566 [0,2,0,0,0,0|2,0,0]=4 15223 B12R0.110 CCCCCN(C)C(=O)C(C)SC 1626a_100000223495_100000149566 [0,2,0,0,0,0|2,0,0]=4 15224 B12R0.110 CCCCCN(C)C(=O)C(C)SC 240690a_100000223495_100000149566 [0,2,0,0,0,0|2,0,0]=4 15225 B12R0.110 CCCCCN(C)C(=O)C(C)SC 527a_100000223495_100000149566 [0,2,0,0,0,0|2,0,0]=4 15226 B12R0.110 CCCCCN(C)C(=O)C(O)CC 240690a_100000223495_100011196387 [0,2,0,0,0,0|1,0,0]=3 15227 B12R0.110 CCCCCN(C)C(=O)C(O)CO 240690a_100000223495_100011215603 [0,2,0,0,0,0|2,0,0]=4 15228 B12R0.110 CCCCSC(C)C(=O)C(C)CC 1458a_100000191163_100000758301 [0,2,0,0,0,0|2,0,0]=4 15229 B12R0.116 CCC(CC)C(=O)CCCCCF 1458a_100000211163_100000729378 [0,2,0,0,0,0|2,0,0]=4 15230 B12R0.116 CCC(CC)C(=O)CCCCCO 1458a_100000211163_100000746330 [0,2,0,0,0,0|2,0,0]=4 15231 B12R0.116 CCC(CC)C(=O)CCCCCO 1458a_100102619762_100000210505 [0,2,0,0,0,0|2,0,0]=4 15232 B12R0.116 CCC(CC)C(=O)CCCCOC 1458a_100000211163_100000755781 [0,2,0,0,0,0|2,0,0]=4 15233 B12R0.116 CCC(CC)C(=O)NCCCCO 240690a_100000750430_100000211163 [0,2,0,0,0,0|2,0,0]=4 15234 B12R0.116 CCC(CC)C(=O)NCCCCO 527a_100000750430_100000211163 [0,2,0,0,0,0|2,0,0]=4 15235 B12R0.116 CCC(CC)C(=O)NCCCNC 2230a_106832991635_100011258378 [0,2,0,0,0,0|2,0,0]=4 15236 B12R0.116 CCC(CC)C(=O)NCCCNC 7a_106832991635_100011258378 [0,2,0,0,0,0|2,0,0]=4 15237 B12R0.116 CCC(CC)C(=O)NCCCOC 1626a_100150723488_100000211163 [0,2,0,0,0,0|2,0,0]=4 15238 B12R0.116 CCC(CC)C(=O)NCCCOC 240690a_100150723488_100000211163 [0,2,0,0,0,0|2,0,0]=4 15239 B12R0.116 CCC(CC)C(=O)NCCCOC 527a_100150723488_100000211163 [0,2,0,0,0,0|2,0,0]=4 15240 B12R0.116 CCC(CC)C(=O)NCCCSC 11a_100000749238_100000211163 [0,2,0,0,0,0|2,0,0]=4 15241 B12R0.116 CCC(CC)C(=O)NCCCSC 1626a_100000749238_100000211163 [0,2,0,0,0,0|2,0,0]=4 15242 B12R0.116 CCC(CC)C(=O)NCCCSC 240690a_100000749238_100000211163 [0,2,0,0,0,0|2,0,0]=4 15243 B12R0.116 CCC(CC)C(=O)NCCCSC 527a_100000749238_100000211163 [0,2,0,0,0,0|2,0,0]=4 15244 B12R0.116 CCC(CC)C(=O)NCCCSC 62a_100011258378_200000210301 [0,2,0,0,0,0|2,0,0]=4 15245 B12R0.116 CCC(CC)C(=O)NCCCSC 62a_200000210301_100011258378 [0,2,0,0,0,0|2,0,0]=4 15246 B12R0.116 CCC(CC)C(=O)NCCCS[13CH3] 62a_100011258378_200025704644 [0,2,0,0,0,0|2,0,0]=4 15247 B12R0.116 CCC(CC)C(=O)NCCCS[13CH3] 62a_200025704644_100011258378 [0,2,0,0,0,0|2,0,0]=4 15248 B12R0.116 CCC(CC)C(=O)OCNCCF 34a_100000724931_100000140015 [0,2,0,0,0,0|2,0,0]=4 15249 B12R0.116 CCC(CC)C(=O)OCNCCO 2230a_100016997473_100000140015 [0,2,0,0,0,0|2,0,0]=4 15250 B12R0.116 CCC(CC)C(=O)OCNCCO 34a_100016990907_100000140015 [0,2,0,0,0,0|2,0,0]=4 15251 B12R0.116 CCC(CC)C(=O)OCOCCBr 34a_100000211926_100000140015 [0,2,0,0,0,0|2,0,0]=4 15252 B12R0.116 CCC(CC)C(=O)OCOCCN 34a_100000210304_100000140015 [0,2,0,0,0,0|2,0,0]=4 15253 B12R0.116 CCC(CC)C(=O)OCSCCF 62a_100000140015_100011217306 [0,2,0,0,0,0|2,0,0]=4 15254 B12R0.116 CCC(CC)C(=O)OCSCCF 62a_100011217306_100000140015 [0,2,0,0,0,0|2,0,0]=4 15255 B12R0.116 CCC(CC)C(=O)OCSCCO 62a_100000140015_100000211926 [0,2,0,0,0,0|2,0,0]=4 15256 B12R0.116 CCC(CC)C(=O)OCSCCO 62a_100000211926_100000140015 [0,2,0,0,0,0|2,0,0]=4 15257 B12R0.116 CCC(CC)C(=O)OCSCOC 62a_100000140015_100000766300 [0,2,0,0,0,0|2,0,0]=4 15258 B12R0.116 CCC(CC)C(=O)OCSCOC 62a_100000766300_100000140015 [0,2,0,0,0,0|2,0,0]=4 15259 B12R0.116 CCC(CC)C(=O)OCSCSC 62a_100000140015_100011218213 [0,2,0,0,0,0|2,0,0]=4 15260 B12R0.116 CCC(CC)C(=O)OCSCSC 62a_100011218213_100000140015 [0,2,0,0,0,0|2,0,0]=4 15261 B12R0.116 CCC(NC)C(=O)NCCCOC 2230a_106832991635_200011763549 [0,2,0,0,0,0|2,0,0]=4 15262 B12R0.116 CCC(NC)C(=O)NCCCOC 7a_106832991635_200011763549 [0,2,0,0,0,0|2,0,0]=4 15263 B12R0.116 CCC(OC)C(=O)CCCCCF 1458a_100000747056_100000729378 [0,2,0,0,0,0|2,0,0]=4 15264 B12R0.116 CCC(OC)C(=O)CCCCCO 1458a_100000747056_100000746330 [0,2,0,0,0,0|2,0,0]=4 15265 B12R0.116 CCC(OC)C(=O)CCCCOC 1458a_100000747056_100000755781 [0,2,0,0,0,0|2,0,0]=4 15266 B12R0.116 CCC(OC)C(=O)NCCCCO 240690a_100000750430_100000747056 [0,2,0,0,0,0|2,0,0]=4 15267 B12R0.116 CCC(OC)C(=O)NCCCCO 527a_100000750430_100000747056 [0,2,0,0,0,0|2,0,0]=4 15268 B12R0.116 CCC(OC)C(=O)NCCCOC 1626a_100150723488_100000747056 [0,2,0,0,0,0|2,0,0]=4 15269 B12R0.116 CCC(OC)C(=O)NCCCOC 240690a_100150723488_100000747056 [0,2,0,0,0,0|2,0,0]=4 15270 B12R0.116 CCC(OC)C(=O)NCCCOC 527a_100150723488_100000747056 [0,2,0,0,0,0|2,0,0]=4 15271 B12R0.116 CCC(OC)C(=O)NCCCSC 11a_100000749238_100000747056 [0,2,0,0,0,0|2,0,0]=4 15272 B12R0.116 CCC(OC)C(=O)NCCCSC 1626a_100000749238_100000747056 [0,2,0,0,0,0|2,0,0]=4 15273 B12R0.116 CCC(OC)C(=O)NCCCSC 240690a_100000749238_100000747056 [0,2,0,0,0,0|2,0,0]=4 15274 B12R0.116 CCC(OC)C(=O)NCCCSC 527a_100000749238_100000747056 [0,2,0,0,0,0|2,0,0]=4 15275 B12R0.116 CCC(SC)C(=O)NCCCOC 62a_200000210301_200011763549 [0,2,0,0,0,0|2,0,0]=4 15276 B12R0.116 CCC(SC)C(=O)NCCCOC 62a_200011763549_200000210301 [0,2,0,0,0,0|2,0,0]=4 15277 B12R0.116 CCC(S[13CH3])C(=O)NCCCOC 62a_200011763549_200025704644 [0,2,0,0,0,0|2,0,0]=4 15278 B12R0.116 CCC(S[13CH3])C(=O)NCCCOC 62a_200025704644_200011763549 [0,2,0,0,0,0|2,0,0]=4 15279 B12R0.116 CCCCC=CC(=O)C(CC)CC 1458a_100016266645_100000210505 [0,2,0,0,0,0|1,0,1]=4 15280 B12R0.116 CCCCCCC(=O)C(CC)CC 1458a_100000211163_100000210757 [0,2,0,0,0,0|1,0,0]=3 15281 B12R0.116 CCCCCCC(=O)C(CC)CC 1458a_100102632555_100000210505 [0,2,0,0,0,0|1,0,0]=3 15282 B12R0.116 CCCCCCC(=O)C(CC)OC 1458a_100000747056_100000210757 [0,2,0,0,0,0|1,0,0]=3 15283 B12R0.116 CCCCCCC(=O)C(OC)OC 1458a_100000046285_100000210757 [0,2,0,0,0,0|2,0,0]=4 15284 B12R0.116 CCCCCCC(=O)N(CC)CC 11a_100000724800_100102632555 [0,2,0,0,0,0|2,0,0]=4 15285 B12R0.116 CCCCCCC(=O)N(CC)CC 1626a_100000724800_100102632555 [0,2,0,0,0,0|2,0,0]=4 15286 B12R0.116 CCCCCCC(=O)N(CC)CC 240690a_100000724800_100102632555 [0,2,0,0,0,0|2,0,0]=4 15287 B12R0.116 CCCCCCC(=O)N(CC)CC 527a_100000724800_100102632555 [0,2,0,0,0,0|2,0,0]=4 15288 B12R0.116 CCCCCNC(=O)C(CC)CC 11a_100000209983_100000211163 [0,2,0,0,0,0|1,0,0]=3 15289 B12R0.116 CCCCCNC(=O)C(CC)CC 1626a_100000209983_100000211163 [0,2,0,0,0,0|1,0,0]=3 15290 B12R0.116 CCCCCNC(=O)C(CC)CC 240690a_100000209983_100000211163 [0,2,0,0,0,0|1,0,0]=3 15291 B12R0.116 CCCCCNC(=O)C(CC)CC 527a_100000209983_100000211163 [0,2,0,0,0,0|1,0,0]=3 15292 B12R0.116 CCCCCNC(=O)C(CC)OC 11a_100000209983_100000747056 [0,2,0,0,0,0|1,0,0]=3 15293 B12R0.116 CCCCCNC(=O)C(CC)OC 1626a_100000209983_100000747056 [0,2,0,0,0,0|1,0,0]=3 15294 B12R0.116 CCCCCNC(=O)C(CC)OC 240690a_100000209983_100000747056 [0,2,0,0,0,0|1,0,0]=3 15295 B12R0.116 CCCCCNC(=O)C(CC)OC 527a_100000209983_100000747056 [0,2,0,0,0,0|1,0,0]=3 15296 B12R0.116 CCCCCNC(=O)C(OC)OC 11a_100000209983_100000046285 [0,2,0,0,0,0|2,0,0]=4 15297 B12R0.116 CCCCCNC(=O)C(OC)OC 240690a_100000209983_100000046285 [0,2,0,0,0,0|2,0,0]=4 15298 B12R0.116 CCCCCNC(=O)C(OC)OC 527a_100000209983_100000046285 [0,2,0,0,0,0|2,0,0]=4 15299 B12R0.116 CCCCCNC(=O)N(CC)CC 2708a_100000209983_100000724800 [0,2,0,0,0,0|2,0,0]=4 15300 B12R0.116 CCCCCNC(=O)N(CC)CC 273464a_100000209983_100000724800 [0,2,0,0,0,0|2,0,0]=4 15301 B12R0.116 CCCCNNC(=O)C(CC)CC 22a_100025702795_100000211163 [0,2,0,0,0,0|2,0,0]=4 15302 B12R0.116 CCCCNNC(=O)C(CC)OC 22a_100025702795_100000747056 [0,2,0,0,0,0|2,0,0]=4 15303 B12R0.116 CCCCOCC(=O)C(CC)CC 1458a_100000211163_100011995733 [0,2,0,0,0,0|2,0,0]=4 15304 B12R0.116 CCCCOCC(=O)C(CC)CC 1458a_100000757543_100000210505 [0,2,0,0,0,0|2,0,0]=4 15305 B12R0.116 CCCCOCC(=O)C(CC)OC 1458a_100000747056_100011995733 [0,2,0,0,0,0|2,0,0]=4 15306 B12R0.116 CCCCSCC(=O)C(CC)CC 1458a_100000191162_100000210505 [0,2,0,0,0,0|2,0,0]=4 15307 B12R0.116 CCCOCCC(=O)C(CC)CC 1458a_100000211163_100011215938 [0,2,0,0,0,0|2,0,0]=4 15308 B12R0.116 CCCOCCC(=O)C(CC)OC 1458a_100000747056_100011215938 [0,2,0,0,0,0|2,0,0]=4 15309 B12R0.116 CCCOCOC(=O)C(CC)CC 34a_100000210258_100000140015 [0,2,0,0,0,0|1,0,0]=3 15310 B12R0.116 CCCSCOC(=O)C(CC)CC 62a_100000140015_100000210303 [0,2,0,0,0,0|1,0,0]=3 15311 B12R0.116 CCCSCOC(=O)C(CC)CC 62a_100000210303_100000140015 [0,2,0,0,0,0|1,0,0]=3 15312 B12R0.116 CCCSCOC(=O)N(CC)CC 62a_100000210303_100000140013 [0,2,0,0,0,0|2,0,0]=4 15313 B12R0.116 CCOCCCC(=O)C(CC)CC 1458a_100000211163_100012232248 [0,2,0,0,0,0|2,0,0]=4 15314 B12R0.116 CCOCCCC(=O)C(CC)OC 1458a_100000747056_100012232248 [0,2,0,0,0,0|2,0,0]=4 15315 B12R0.116 CCOCCNC(=O)C(CC)CC 11a_100011200944_100000211163 [0,2,0,0,0,0|2,0,0]=4 15316 B12R0.116 CCOCCNC(=O)C(CC)CC 1626a_102516460346_100000211163 [0,2,0,0,0,0|2,0,0]=4 15317 B12R0.116 CCOCCNC(=O)C(CC)CC 240690a_100011200944_100000211163 [0,2,0,0,0,0|2,0,0]=4 15318 B12R0.116 CCOCCNC(=O)C(CC)CC 527a_100011200944_100000211163 [0,2,0,0,0,0|2,0,0]=4 15319 B12R0.116 CCOCCNC(=O)C(CC)OC 11a_100011200944_100000747056 [0,2,0,0,0,0|2,0,0]=4 15320 B12R0.116 CCOCCNC(=O)C(CC)OC 1626a_102516460346_100000747056 [0,2,0,0,0,0|2,0,0]=4 15321 B12R0.116 CCOCCNC(=O)C(CC)OC 240690a_100011200944_100000747056 [0,2,0,0,0,0|2,0,0]=4 15322 B12R0.116 CCOCCNC(=O)C(CC)OC 527a_100011200944_100000747056 [0,2,0,0,0,0|2,0,0]=4 15323 B12R0.116 CCSCCNC(=O)C(CC)CC 11a_100000106463_100000211163 [0,2,0,0,0,0|2,0,0]=4 15324 B12R0.116 CCSCCNC(=O)C(CC)CC 1626a_100000106463_100000211163 [0,2,0,0,0,0|2,0,0]=4 15325 B12R0.116 CCSCCNC(=O)C(CC)CC 240690a_100000106463_100000211163 [0,2,0,0,0,0|2,0,0]=4 15326 B12R0.116 CCSCCNC(=O)C(CC)CC 527a_100000106463_100000211163 [0,2,0,0,0,0|2,0,0]=4 15327 B12R0.116 CCSCCNC(=O)C(CC)OC 11a_100000106463_100000747056 [0,2,0,0,0,0|2,0,0]=4 15328 B12R0.116 CCSCCNC(=O)C(CC)OC 1626a_100000106463_100000747056 [0,2,0,0,0,0|2,0,0]=4 15329 B12R0.116 CCSCCNC(=O)C(CC)OC 240690a_100000106463_100000747056 [0,2,0,0,0,0|2,0,0]=4 15330 B12R0.116 CCSCCNC(=O)C(CC)OC 527a_100000106463_100000747056 [0,2,0,0,0,0|2,0,0]=4 15331 B12R0.156 CCC(C)C(=O)CCCN(C)CC 1458a_100011192722_100015186262 [0,2,0,0,0,0|2,0,0]=4 15332 B12R0.156 CCC(C)C(=O)NCCC(C)CO 240690a_106354213184_100011192722 [0,2,0,0,0,0|2,0,0]=4 15333 B12R0.156 CCC(C)C(=O)NCCC(C)CO 527a_106354213184_100011192722 [0,2,0,0,0,0|2,0,0]=4 15334 B12R0.156 CCC(C)CCNC(=O)C(C)CC 11a_100020591266_100011192722 [0,2,0,0,0,0|1,0,0]=3 15335 B12R0.156 CCC(C)CCNC(=O)C(C)CC 1626a_100020591266_100011192722 [0,2,0,0,0,0|1,0,0]=3 15336 B12R0.156 CCC(C)CCNC(=O)C(C)CC 240690a_100020591266_100011192722 [0,2,0,0,0,0|1,0,0]=3 15337 B12R0.156 CCC(C)CCNC(=O)C(C)CC 527a_100020591266_100011192722 [0,2,0,0,0,0|1,0,0]=3 15338 B12R0.156 CCC(C)CCNC(=O)C(C)OC 11a_100020591266_100000743197 [0,2,0,0,0,0|2,0,0]=4 15339 B12R0.156 CCC(C)CCNC(=O)C(C)OC 1626a_100020591266_100000743197 [0,2,0,0,0,0|2,0,0]=4 15340 B12R0.156 CCC(C)CCNC(=O)C(C)OC 240690a_100020591266_100000743197 [0,2,0,0,0,0|2,0,0]=4 15341 B12R0.156 CCC(C)CCNC(=O)C(C)OC 527a_100020591266_100000743197 [0,2,0,0,0,0|2,0,0]=4 15342 B12R0.156 CCC(C)CCNC(=O)C(C)SC 11a_100020591266_100000149566 [0,2,0,0,0,0|2,0,0]=4 15343 B12R0.156 CCC(C)CCNC(=O)C(C)SC 1626a_100020591266_100000149566 [0,2,0,0,0,0|2,0,0]=4 15344 B12R0.156 CCC(C)CCNC(=O)C(C)SC 240690a_100020591266_100000149566 [0,2,0,0,0,0|2,0,0]=4 15345 B12R0.156 CCC(C)CCNC(=O)C(C)SC 527a_100020591266_100000149566 [0,2,0,0,0,0|2,0,0]=4 15346 B12R0.156 CCC(C)CCNC(=O)C(O)CC 240690a_100020591266_100011196387 [0,2,0,0,0,0|1,0,0]=3 15347 B12R0.156 CCC(C)CCNC(=O)C(O)CO 240690a_100020591266_100011215603 [0,2,0,0,0,0|2,0,0]=4 15348 B12R0.156 CCC(C)CCNC(=O)N(C)CC 2708a_100020591266_100000225621 [0,2,0,0,0,0|2,0,0]=4 15349 B12R0.156 CCC(C)CCNC(=O)N(C)CC 273464a_100020591266_100000225621 [0,2,0,0,0,0|2,0,0]=4 15350 B12R0.156 CCC(O)C(=O)CCCN(C)CC 1458a_100011196387_100015186262 [0,2,0,0,0,0|2,0,0]=4 15351 B12R0.156 CCC(O)C(=O)NCCC(C)CO 240690a_106354213184_100011196387 [0,2,0,0,0,0|2,0,0]=4 15352 B12R0.156 CCC(O)CNNC(=O)C(C)CC 22a_100015206393_100011192722 [0,2,0,0,0,0|2,0,0]=4 15353 B12R0.156 CCC(O)CNNC(=O)C(O)CC 22a_100015206393_100011196387 [0,2,0,0,0,0|2,0,0]=4 15354 B12R0.324 CCC(C)(C)C(=O)CCCCCF 1458a_100000749717_100000729378 [0,2,0,0,0,0|2,0,0]=4 15355 B12R0.324 CCC(C)(C)C(=O)CCCCCO 1458a_100000749717_100000746330 [0,2,0,0,0,0|2,0,0]=4 15356 B12R0.324 CCC(C)(C)C(=O)CCCCOC 1458a_100000749717_100000755781 [0,2,0,0,0,0|2,0,0]=4 15357 B12R0.324 CCC(C)(C)C(=O)NCCCCO 240690a_100000750430_100000749717 [0,2,0,0,0,0|2,0,0]=4 15358 B12R0.324 CCC(C)(C)C(=O)NCCCCO 527a_100000750430_100000749717 [0,2,0,0,0,0|2,0,0]=4 15359 B12R0.324 CCC(C)(C)C(=O)NCCCOC 1626a_100150723488_100000749717 [0,2,0,0,0,0|2,0,0]=4 15360 B12R0.324 CCC(C)(C)C(=O)NCCCOC 240690a_100150723488_100000749717 [0,2,0,0,0,0|2,0,0]=4 15361 B12R0.324 CCC(C)(C)C(=O)NCCCOC 527a_100150723488_100000749717 [0,2,0,0,0,0|2,0,0]=4 15362 B12R0.324 CCC(C)(C)C(=O)NCCCSC 11a_100000749238_100000749717 [0,2,0,0,0,0|2,0,0]=4 15363 B12R0.324 CCC(C)(C)C(=O)NCCCSC 1626a_100000749238_100000749717 [0,2,0,0,0,0|2,0,0]=4 15364 B12R0.324 CCC(C)(C)C(=O)NCCCSC 240690a_100000749238_100000749717 [0,2,0,0,0,0|2,0,0]=4 15365 B12R0.324 CCC(C)(C)C(=O)NCCCSC 527a_100000749238_100000749717 [0,2,0,0,0,0|2,0,0]=4 15366 B12R0.324 CCC(C)(O)C(=O)CCCCCF 1458a_100011219770_100000729378 [0,2,0,0,0,0|2,0,0]=4 15367 B12R0.324 CCC(C)(O)C(=O)CCCCCO 1458a_100011219770_100000746330 [0,2,0,0,0,0|2,0,0]=4 15368 B12R0.324 CCC(C)(O)C(=O)CCCCOC 1458a_100011219770_100000755781 [0,2,0,0,0,0|2,0,0]=4 15369 B12R0.324 CCC(C)(O)C(=O)NCCCCO 240690a_100000750430_100011219770 [0,2,0,0,0,0|2,0,0]=4 15370 B12R0.324 CCC(C)(O)C(=O)NCCCOC 240690a_100150723488_100011219770 [0,2,0,0,0,0|2,0,0]=4 15371 B12R0.324 CCC(C)(O)C(=O)NCCCSC 240690a_100000749238_100011219770 [0,2,0,0,0,0|2,0,0]=4 15372 B12R0.324 CCC(F)(F)C(=O)CCCCCF 1458a_100000061896_100000729378 [0,2,0,0,0,0|2,0,0]=4 15373 B12R0.324 CCC(F)(F)C(=O)CCCCCO 1458a_100000061896_100000746330 [0,2,0,0,0,0|2,0,0]=4 15374 B12R0.324 CCC(F)(F)C(=O)CCCCOC 1458a_100000061896_100000755781 [0,2,0,0,0,0|2,0,0]=4 15375 B12R0.324 CCC(F)(F)C(=O)NCCCCO 240690a_100000750430_100000061896 [0,2,0,0,0,0|2,0,0]=4 15376 B12R0.324 CCC(F)(F)C(=O)NCCCCO 527a_100000750430_100000061896 [0,2,0,0,0,0|2,0,0]=4 15377 B12R0.324 CCC(F)(F)C(=O)NCCCOC 1626a_100150723488_100000061896 [0,2,0,0,0,0|2,0,0]=4 15378 B12R0.324 CCC(F)(F)C(=O)NCCCOC 240690a_100150723488_100000061896 [0,2,0,0,0,0|2,0,0]=4 15379 B12R0.324 CCC(F)(F)C(=O)NCCCOC 527a_100150723488_100000061896 [0,2,0,0,0,0|2,0,0]=4 15380 B12R0.324 CCC(F)(F)C(=O)NCCCSC 11a_100000749238_100000061896 [0,2,0,0,0,0|2,0,0]=4 15381 B12R0.324 CCC(F)(F)C(=O)NCCCSC 1626a_100000749238_100000061896 [0,2,0,0,0,0|2,0,0]=4 15382 B12R0.324 CCC(F)(F)C(=O)NCCCSC 240690a_100000749238_100000061896 [0,2,0,0,0,0|2,0,0]=4 15383 B12R0.324 CCC(F)(F)C(=O)NCCCSC 527a_100000749238_100000061896 [0,2,0,0,0,0|2,0,0]=4 15384 B12R0.324 CCCCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210757 [0,2,0,0,0,0|1,0,0]=3 15385 B12R0.324 CCCCCCC(=O)C(C)(C)CF 1458a_100000138116_100000210757 [0,2,0,0,0,0|2,0,0]=4 15386 B12R0.324 CCCCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210757 [0,2,0,0,0,0|2,0,0]=4 15387 B12R0.324 CCCCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210757 [0,2,0,0,0,0|2,0,0]=4 15388 B12R0.324 CCCCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210757 [0,2,0,0,0,0|1,0,0]=3 15389 B12R0.324 CCCCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210757 [0,2,0,0,0,0|1,0,0]=3 15390 B12R0.324 CCCCCCC(=O)C(F)(F)NC 7a_106832991635_200032003737 [0,2,0,0,0,0|2,0,0]=4 15391 B12R0.324 CCCCCCC(=O)C(F)(F)SC 62a_200000210301_200032003737 [0,2,0,0,0,0|2,0,0]=4 15392 B12R0.324 CCCCCCC(=O)C(F)(F)SC 62a_200032003737_200000210301 [0,2,0,0,0,0|2,0,0]=4 15393 B12R0.324 CCCCCCC(=O)C(F)(F)S[13CH3] 62a_200025704644_200032003737 [0,2,0,0,0,0|2,0,0]=4 15394 B12R0.324 CCCCCCC(=O)C(F)(F)S[13CH3] 62a_200032003737_200025704644 [0,2,0,0,0,0|2,0,0]=4 15395 B12R0.324 CCCCCNC(=O)C(C)(C)CC 11a_100000209983_100000749717 [0,2,0,0,0,0|1,0,0]=3 15396 B12R0.324 CCCCCNC(=O)C(C)(C)CC 1626a_100000209983_100000749717 [0,2,0,0,0,0|1,0,0]=3 15397 B12R0.324 CCCCCNC(=O)C(C)(C)CC 240690a_100000209983_100000749717 [0,2,0,0,0,0|1,0,0]=3 15398 B12R0.324 CCCCCNC(=O)C(C)(C)CC 527a_100000209983_100000749717 [0,2,0,0,0,0|1,0,0]=3 15399 B12R0.324 CCCCCNC(=O)C(C)(C)CF 11a_100000209983_100000138116 [0,2,0,0,0,0|2,0,0]=4 15400 B12R0.324 CCCCCNC(=O)C(C)(C)CF 1626a_100000209983_100000138116 [0,2,0,0,0,0|2,0,0]=4 15401 B12R0.324 CCCCCNC(=O)C(C)(C)CF 240690a_100000209983_100000138116 [0,2,0,0,0,0|2,0,0]=4 15402 B12R0.324 CCCCCNC(=O)C(C)(C)CF 527a_100000209983_100000138116 [0,2,0,0,0,0|2,0,0]=4 15403 B12R0.324 CCCCCNC(=O)C(C)(C)CO 1626a_100000209983_100000749806 [0,2,0,0,0,0|2,0,0]=4 15404 B12R0.324 CCCCCNC(=O)C(C)(C)CO 240690a_100000209983_100000749806 [0,2,0,0,0,0|2,0,0]=4 15405 B12R0.324 CCCCCNC(=O)C(C)(C)CO 527a_100000209983_100000749806 [0,2,0,0,0,0|2,0,0]=4 15406 B12R0.324 CCCCCNC(=O)C(C)(C)OC 11a_100000209983_100000753492 [0,2,0,0,0,0|2,0,0]=4 15407 B12R0.324 CCCCCNC(=O)C(C)(C)OC 1626a_100000209983_100000753492 [0,2,0,0,0,0|2,0,0]=4 15408 B12R0.324 CCCCCNC(=O)C(C)(C)OC 240690a_100000209983_100000753492 [0,2,0,0,0,0|2,0,0]=4 15409 B12R0.324 CCCCCNC(=O)C(C)(C)OC 527a_100000209983_100000753492 [0,2,0,0,0,0|2,0,0]=4 15410 B12R0.324 CCCCCNC(=O)C(C)(O)CC 240690a_100000209983_100011219770 [0,2,0,0,0,0|1,0,0]=3 15411 B12R0.324 CCCCCNC(=O)C(F)(F)CC 11a_100000209983_100000061896 [0,2,0,0,0,0|1,0,0]=3 15412 B12R0.324 CCCCCNC(=O)C(F)(F)CC 1626a_100000209983_100000061896 [0,2,0,0,0,0|1,0,0]=3 15413 B12R0.324 CCCCCNC(=O)C(F)(F)CC 240690a_100000209983_100000061896 [0,2,0,0,0,0|1,0,0]=3 15414 B12R0.324 CCCCCNC(=O)C(F)(F)CC 527a_100000209983_100000061896 [0,2,0,0,0,0|1,0,0]=3 15415 B12R0.324 CCCCNNC(=O)C(C)(C)CC 22a_100025702795_100000749717 [0,2,0,0,0,0|2,0,0]=4 15416 B12R0.324 CCCCNNC(=O)C(C)(O)CC 22a_100025702795_100011219770 [0,2,0,0,0,0|2,0,0]=4 15417 B12R0.324 CCCCNNC(=O)C(F)(F)CC 22a_100025702795_100000061896 [0,2,0,0,0,0|2,0,0]=4 15418 B12R0.324 CCCCOCC(=O)C(C)(C)CC 1458a_100000749717_100011995733 [0,2,0,0,0,0|2,0,0]=4 15419 B12R0.324 CCCCOCC(=O)C(C)(O)CC 1458a_100011219770_100011995733 [0,2,0,0,0,0|2,0,0]=4 15420 B12R0.324 CCCCOCC(=O)C(F)(F)CC 1458a_100000061896_100011995733 [0,2,0,0,0,0|2,0,0]=4 15421 B12R0.324 CCCOCCC(=O)C(C)(C)CC 1458a_100000749717_100011215938 [0,2,0,0,0,0|2,0,0]=4 15422 B12R0.324 CCCOCCC(=O)C(C)(O)CC 1458a_100011219770_100011215938 [0,2,0,0,0,0|2,0,0]=4 15423 B12R0.324 CCCOCCC(=O)C(F)(F)CC 1458a_100000061896_100011215938 [0,2,0,0,0,0|2,0,0]=4 15424 B12R0.324 CCOCCCC(=O)C(C)(C)CC 1458a_100000749717_100012232248 [0,2,0,0,0,0|2,0,0]=4 15425 B12R0.324 CCOCCCC(=O)C(C)(O)CC 1458a_100011219770_100012232248 [0,2,0,0,0,0|2,0,0]=4 15426 B12R0.324 CCOCCCC(=O)C(F)(F)CC 1458a_100000061896_100012232248 [0,2,0,0,0,0|2,0,0]=4 15427 B12R0.324 CCOCCNC(=O)C(C)(C)CC 11a_100011200944_100000749717 [0,2,0,0,0,0|2,0,0]=4 15428 B12R0.324 CCOCCNC(=O)C(C)(C)CC 1626a_102516460346_100000749717 [0,2,0,0,0,0|2,0,0]=4 15429 B12R0.324 CCOCCNC(=O)C(C)(C)CC 240690a_100011200944_100000749717 [0,2,0,0,0,0|2,0,0]=4 15430 B12R0.324 CCOCCNC(=O)C(C)(C)CC 527a_100011200944_100000749717 [0,2,0,0,0,0|2,0,0]=4 15431 B12R0.324 CCOCCNC(=O)C(C)(O)CC 240690a_100011200944_100011219770 [0,2,0,0,0,0|2,0,0]=4 15432 B12R0.324 CCOCCNC(=O)C(F)(F)CC 11a_100011200944_100000061896 [0,2,0,0,0,0|2,0,0]=4 15433 B12R0.324 CCOCCNC(=O)C(F)(F)CC 1626a_102516460346_100000061896 [0,2,0,0,0,0|2,0,0]=4 15434 B12R0.324 CCOCCNC(=O)C(F)(F)CC 240690a_100011200944_100000061896 [0,2,0,0,0,0|2,0,0]=4 15435 B12R0.324 CCOCCNC(=O)C(F)(F)CC 527a_100011200944_100000061896 [0,2,0,0,0,0|2,0,0]=4 15436 B12R0.324 CCSCCNC(=O)C(C)(C)CC 11a_100000106463_100000749717 [0,2,0,0,0,0|2,0,0]=4 15437 B12R0.324 CCSCCNC(=O)C(C)(C)CC 1626a_100000106463_100000749717 [0,2,0,0,0,0|2,0,0]=4 15438 B12R0.324 CCSCCNC(=O)C(C)(C)CC 240690a_100000106463_100000749717 [0,2,0,0,0,0|2,0,0]=4 15439 B12R0.324 CCSCCNC(=O)C(C)(C)CC 527a_100000106463_100000749717 [0,2,0,0,0,0|2,0,0]=4 15440 B12R0.324 CCSCCNC(=O)C(C)(O)CC 240690a_100000106463_100011219770 [0,2,0,0,0,0|2,0,0]=4 15441 B12R0.324 CCSCCNC(=O)C(F)(F)CC 11a_100000106463_100000061896 [0,2,0,0,0,0|2,0,0]=4 15442 B12R0.324 CCSCCNC(=O)C(F)(F)CC 1626a_100000106463_100000061896 [0,2,0,0,0,0|2,0,0]=4 15443 B12R0.324 CCSCCNC(=O)C(F)(F)CC 240690a_100000106463_100000061896 [0,2,0,0,0,0|2,0,0]=4 15444 B12R0.324 CCSCCNC(=O)C(F)(F)CC 527a_100000106463_100000061896 [0,2,0,0,0,0|2,0,0]=4 15445 B12R0.600 CCCCCNS(=O)(=O)C(C)CC 270084a_100000209983_100000685195 [0,2,0,0,0,0|2,0,0]=4 15446 B12R0.600 CCCCCNS(=O)(=O)C(C)CC 274078a_100000209983_100000685195 [0,2,0,0,0,0|2,0,0]=4 15447 B12R0.54 CCCC(=O)N(C)CCCN(C)C 240690a_100000225831_100000211992 [0,2,0,0,0,0|2,0,0]=4 15448 B12R0.54 CCNC(=O)C(=O)CCCC(C)C 1458a_200011297158_100011214892 [0,2,0,0,0,0|2,0,0]=4 15449 B12R0.54 CCNC(=O)C(=O)CCCC(C)O 1458a_200011297158_200000718107 [0,2,0,0,0,0|2,0,0]=4 15450 B12R0.294 CCCCCN(C)S(=O)(=O)CCC 270084a_100000223495_100000211391 [0,2,0,0,0,0|2,0,0]=4 15451 B12R0.294 CCCCCN(C)S(=O)(=O)CCC 274078a_100000223495_100000211391 [0,2,0,0,0,0|2,0,0]=4 15452 B12R0.294 CCCCCN(C)S(=O)(=O)CCC 40a_100000223495_100000054278 [0,2,0,0,0,0|2,0,0]=4 15453 B12R0.363 CCCC(=O)N(CC)CCCCO 240690a_100011217355_100000211992 [0,2,0,0,0,0|2,0,0]=4 15454 B12R0.363 CCCCCC(CC)C(=O)CCC 1458a_100000697129_100000210303 [0,2,0,0,0,0|1,0,0]=3 15455 B12R0.363 CCCCCC(CC)C(=O)CCF 1458a_100000697129_100011217306 [0,2,0,0,0,0|2,0,0]=4 15456 B12R0.363 CCCCCC(CC)C(=O)CCO 1458a_100000697129_100000211926 [0,2,0,0,0,0|2,0,0]=4 15457 B12R0.363 CCCCCC(CC)C(=O)NCC 11a_100015525214_100000697129 [0,2,0,0,0,0|2,0,0]=4 15458 B12R0.363 CCCCCC(CC)C(=O)NCC 240690a_100015525214_100000697129 [0,2,0,0,0,0|2,0,0]=4 15459 B12R0.363 CCCCCC(CC)C(=O)NCC 527a_100015525214_100000697129 [0,2,0,0,0,0|2,0,0]=4 15460 B12R0.363 CCCCCC(NC)C(=O)OCC 2230a_106832991635_200009813352 [0,2,0,0,0,0|2,0,0]=4 15461 B12R0.363 CCCCCC(NC)C(=O)OCC 34a_100102657272_200009813352 [0,2,0,0,0,0|2,0,0]=4 15462 B12R0.363 CCCCCC(NC)C(=O)OCC 7a_106832991635_200009813352 [0,2,0,0,0,0|2,0,0]=4 15463 B12R0.363 CCCCCC(OC)C(=O)OCC 34a_100138415774_200009813352 [0,2,0,0,0,0|2,0,0]=4 15464 B12R0.363 CCCCCC(SC)C(=O)OCC 62a_200000210301_200009813352 [0,2,0,0,0,0|2,0,0]=4 15465 B12R0.363 CCCCCC(SC)C(=O)OCC 62a_200009813352_200000210301 [0,2,0,0,0,0|2,0,0]=4 15466 B12R0.363 CCCCCC(S[13CH3])C(=O)OCC 62a_200009813352_200025704644 [0,2,0,0,0,0|2,0,0]=4 15467 B12R0.363 CCCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813352 [0,2,0,0,0,0|2,0,0]=4 15468 B12R0.203 CCCC(OCCCCF)C(=O)N 34a_100011626294_100000729493 [0,2,0,0,0,0|1,0,1]=4 15469 B12R0.203 CCCC(OCCCCF)C(=O)N 7a_100011626294_100000729493 [0,2,0,0,0,0|1,0,1]=4 15470 B12R0.203 CCCC(OCCCCO)C(=O)N 34a_100011626294_100011216708 [0,2,0,0,0,0|1,0,1]=4 15471 B12R0.203 CCCC(OCCCCO)C(=O)N 7a_100011626294_100000210776 [0,2,0,0,0,0|1,0,1]=4 15472 B12R0.203 CCCC(OCCCOC)C(=O)N 34a_100011626294_100000740836 [0,2,0,0,0,0|1,0,1]=4 15473 B12R0.203 CCCC(OCCCOC)C(=O)N 7a_100011626294_100000740836 [0,2,0,0,0,0|1,0,1]=4 15474 B12R0.203 CCCC(OCCOCC)C(=O)N 34a_100011626294_100000210147 [0,2,0,0,0,0|1,0,1]=4 15475 B12R0.203 CCCC(OCCOCC)C(=O)N 7a_100011626294_100011215890 [0,2,0,0,0,0|1,0,1]=4 15476 B12R0.203 CCCC(OCCSCC)C(=O)N 34a_100011626294_100000757381 [0,2,0,0,0,0|1,0,1]=4 15477 B12R0.203 CCCC(OCCSCC)C(=O)N 7a_100011626294_100000757381 [0,2,0,0,0,0|1,0,1]=4 15478 B12R0.203 CCCCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210326 [0,2,0,0,0,0|1,0,1]=4 15479 B12R0.203 CCCCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000718602 [0,2,0,0,0,0|1,0,1]=4 15480 B12R0.203 CCCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210326 [0,2,0,0,0,0|1,0,1]=4 15481 B12R0.203 CCCCCOC(CCC)C(=O)N 34a_100011626294_100000718602 [0,2,0,0,0,0|0,0,1]=3 15482 B12R0.203 CCCCCOC(CCC)C(=O)N 7a_100011626294_100000210326 [0,2,0,0,0,0|0,0,1]=3 15483 B12R0.203 CCCCCOC(CCC)C(C)C 34a_200011215069_100000718602 [0,2,0,0,0,0|1,0,1]=4 15484 B12R0.203 CCCCCOC(CCC)C(C)C 7a_200011215069_100000210326 [0,2,0,0,0,0|1,0,1]=4 15485 B12R0.205 C/C=C/C(CCC)OCCCCC 34a_200016264281_100000718602 [0,2,0,0,0,0|1,0,1]=4 15486 B12R0.205 C/C=C/C(CCC)OCCCCC 7a_200016264281_100000210326 [0,2,0,0,0,0|1,0,1]=4 15487 B12R0.205 C=CCC(CCC)OCCCCC 34a_100011215139_100000718602 [0,2,0,0,0,0|1,0,1]=4 15488 B12R0.205 C=CCC(CCC)OCCCCC 7a_100011215139_100000210326 [0,2,0,0,0,0|1,0,1]=4 15489 B12R0.205 CCCCCOC(CCC)CCC 34a_100000210253_200011218217 [0,2,0,0,0,0|1,0,1]=4 15490 B12R0.205 CCCCCOC(CCC)CCC 34a_200011218534_100000718602 [0,2,0,0,0,0|1,0,1]=4 15491 B12R0.205 CCCCCOC(CCC)CCC 7a_100000210253_200011218217 [0,2,0,0,0,0|1,0,1]=4 15492 B12R0.205 CCCCCOC(CCC)CCC 7a_200011218534_100000210326 [0,2,0,0,0,0|1,0,1]=4 15493 B12R0.224 C#CC(CCC)OCCCC(C)C 34a_200011217317_100011214892 [0,2,0,0,0,0|1,0,1]=4 15494 B12R0.224 C#CC(CCC)OCCCC(C)C 7a_200011217317_100011214892 [0,2,0,0,0,0|1,0,1]=4 15495 B12R0.224 C#CC(CCC)OCCCC(C)O 34a_200011217317_200000718107 [0,2,0,0,0,0|1,0,1]=4 15496 B12R0.224 C#CC(CCC)OCCCC(C)O 7a_200011217317_200000718107 [0,2,0,0,0,0|1,0,1]=4 15497 B12R0.224 C=CC(CCC)OCCCC(C)C 34a_100011216692_100011214892 [0,2,0,0,0,0|1,0,1]=4 15498 B12R0.224 C=CC(CCC)OCCCC(C)C 7a_100011216692_100011214892 [0,2,0,0,0,0|1,0,1]=4 15499 B12R0.224 C=CC(CCC)OCCCC(C)O 34a_100011216692_200000718107 [0,2,0,0,0,0|1,0,1]=4 15500 B12R0.224 C=CC(CCC)OCCCC(C)O 7a_100011216692_200000718107 [0,2,0,0,0,0|1,0,1]=4 15501 B12R0.224 CCCC(C#N)OCCCC(C)C 34a_100000686963_100011214892 [0,2,0,0,0,0|1,0,1]=4 15502 B12R0.224 CCCC(C#N)OCCCC(C)C 7a_100000686963_100011214892 [0,2,0,0,0,0|1,0,1]=4 15503 B12R0.224 CCCC(C#N)OCCCC(C)O 34a_100000686963_200000718107 [0,2,0,0,0,0|1,0,1]=4 15504 B12R0.224 CCCC(C#N)OCCCC(C)O 7a_100000686963_200000718107 [0,2,0,0,0,0|1,0,1]=4 15505 B12R0.224 CCCC(CC)OCCCC(C)C 34a_100000687864_100011214892 [0,2,0,0,0,0|1,0,1]=4 15506 B12R0.224 CCCC(CC)OCCCC(C)C 7a_100000210774_100011219200 [0,2,0,0,0,0|1,0,1]=4 15507 B12R0.224 CCCC(CC)OCCCC(C)C 7a_100000687864_100011214892 [0,2,0,0,0,0|1,0,1]=4 15508 B12R0.224 CCCC(CC)OCCCC(C)O 34a_100000687864_200000718107 [0,2,0,0,0,0|1,0,1]=4 15509 B12R0.224 CCCC(CC)OCCCC(C)O 7a_100000687864_200000718107 [0,2,0,0,0,0|1,0,1]=4 15510 B12R0.229 CCCC(CC)OCCC(C)CC 7a_100011215188_100011219200 [0,2,0,0,0,0|1,0,1]=4 15511 B12R0.599 CCCCCOC(C)(CC)CCC 7a_100000210253_200000040151 [0,2,0,0,0,0|1,0,1]=4 15512 B12R0.599 CCCCCOC(C)(CC)CCC 7a_200011215934_100000210326 [0,2,0,0,0,0|1,0,1]=4 15513 B12R0.176 CCCS(=O)(=O)NCCC(C)CC 270084a_100020591266_100000211391 [0,2,0,0,0,0|2,0,0]=4 15514 B12R0.176 CCCS(=O)(=O)NCCC(C)CC 274078a_100020591266_100000211391 [0,2,0,0,0,0|2,0,0]=4 15515 B12R0.176 CCCS(=O)(=O)NCCC(C)CC 40a_100020591266_100000054278 [0,2,0,0,0,0|2,0,0]=4 15516 B12R0.265 C#CC(CC)OCOC(=O)CCC 34a_100000758843_100000034017 [0,2,0,0,0,0|1,0,0]=3 15517 B12R0.265 C=CC(CC)OCOC(=O)CCC 34a_100000766422_100000034017 [0,2,0,0,0,0|1,0,0]=3 15518 B12R0.265 C=C[C@@H](CO)NCOC(=O)CCC 2230a_100016989147_100000034017 [0,2,0,0,0,0|2,0,0]=4 15519 B12R0.265 C=C[C@@H](CO)NCOC(=O)CCC 34a_100016989147_100000034017 [0,2,0,0,0,0|2,0,0]=4 15520 B12R0.265 CCCC(=O)CCCC(OC)OC 1458a_100000211992_100000069011 [0,2,0,0,0,0|2,0,0]=4 15521 B12R0.265 CCCC(=O)CCCN(CC)CC 1458a_100000211992_100000709985 [0,2,0,0,0,0|2,0,0]=4 15522 B12R0.265 CCCC(=O)CCCN(CC)CC 1458a_100076194134_100000210303 [0,2,0,0,0,0|2,0,0]=4 15523 B12R0.265 CCCC(=O)CNCC(CC)CC 2230a_100102946423_100000747444 [0,2,0,0,0,0|2,0,0]=4 15524 B12R0.265 CCCC(=O)COCC(CC)CC 7a_100000703878_100000747444 [0,2,0,0,0,0|2,0,0]=4 15525 B12R0.265 CCCC(=O)COCC(CC)OC 7a_100011934954_100000747444 [0,2,0,0,0,0|2,0,0]=4 15526 B12R0.265 CCCC(=O)CSCC(CC)CC 62a_100000747444_100011215472 [0,2,0,0,0,0|2,0,0]=4 15527 B12R0.265 CCCC(=O)CSCC(CC)CC 62a_100011215472_100000747444 [0,2,0,0,0,0|2,0,0]=4 15528 B12R0.265 CCCC(=O)NCCN(CC)CC 1626a_100015382049_100000211992 [0,2,0,0,0,0|2,0,0]=4 15529 B12R0.265 CCCC(=O)NCCN(CC)CC 240690a_100015382049_100000211992 [0,2,0,0,0,0|2,0,0]=4 15530 B12R0.265 CCCC(=O)NCCN(CC)CC 527a_100015382049_100000211992 [0,2,0,0,0,0|2,0,0]=4 15531 B12R0.265 CCCC(=O)OCNC(CC)CC 2230a_100000199018_100000034017 [0,2,0,0,0,0|1,0,0]=3 15532 B12R0.265 CCCC(=O)OCNC(CO)CO 2230a_100000759517_100000034017 [0,2,0,0,0,0|2,0,0]=4 15533 B12R0.265 CCCC(=O)OCN[C@@H](CC)CO 2230a_100000709445_100000034017 [0,2,0,0,0,0|1,0,0]=3 15534 B12R0.265 CCCC(=O)OCOC(CF)CF 34a_100000032261_100000034017 [0,2,0,0,0,0|2,0,0]=4 15535 B12R0.265 CCCC(=O)OCOC(CN)CN 34a_100000031598_100000034017 [0,2,0,0,0,0|2,0,0]=4 15536 B12R0.265 CCCC(=O)OCO[C@@H](CF)CCl 34a_100015614560_100000034017 [0,2,0,0,0,0|2,0,0]=4 15537 B12R0.265 CCCC(=O)OCSC(CC)CC 62a_100000210505_100000034017 [0,2,0,0,0,0|1,0,0]=3 15538 B12R0.265 CCOC(=O)OCSC(CC)CC 62a_100000210505_100000075025 [0,2,0,0,0,0|2,0,0]=4 15539 B12R0.279 CCCC(=O)CNCC(O)C(C)C 2230a_100000759067_100000747444 [0,2,0,0,0,0|2,0,0]=4 15540 B12R0.279 CCCC(=O)NCCN(C)C(C)C 1626a_100000749581_100000211992 [0,2,0,0,0,0|2,0,0]=4 15541 B12R0.279 CCCC(=O)NCCN(C)C(C)C 240690a_100000749581_100000211992 [0,2,0,0,0,0|2,0,0]=4 15542 B12R0.279 CCCC(=O)NCCN(C)C(C)C 527a_100000749581_100000211992 [0,2,0,0,0,0|2,0,0]=4 15543 B12R0.279 CCCC(=O)OCNC(C)C(C)C 2230a_100000211541_100000034017 [0,2,0,0,0,0|1,0,0]=3 15544 B12R0.279 CCCC(=O)OCOC(C)C(=O)C 34a_100000212229_100000034017 [0,2,0,0,0,0|1,0,1]=4 15545 B12R0.279 CCCC(=O)OCSC(C)C(=O)C 62a_100009814033_100000034017 [0,2,0,0,0,0|1,0,1]=4 15546 B12R0.279 CCCC(C)OCCC(N)C(C)C 34a_100161115045_100000766640 [0,2,0,0,0,0|1,0,1]=4 15547 B12R0.573 CCCC(=O)COCC(C)(C)CC 7a_100000765029_100000747444 [0,2,0,0,0,0|2,0,0]=4 15548 B12R0.573 CCCC(=O)NCCS(=O)(=O)CC 11a_100000751051_100000211992 [0,2,0,0,0,0|2,0,0]=4 15549 B12R0.573 CCCC(=O)NCCS(=O)(=O)CC 1626a_100000751051_100000211992 [0,2,0,0,0,0|2,0,0]=4 15550 B12R0.573 CCCC(=O)NCCS(=O)(=O)CC 240690a_100000751051_100000211992 [0,2,0,0,0,0|2,0,0]=4 15551 B12R0.573 CCCC(=O)NCCS(=O)(=O)CC 527a_100000751051_100000211992 [0,2,0,0,0,0|2,0,0]=4 15552 B12R0.573 CCCC(=O)OCNC(C)(C)CC 2230a_100000211385_100000034017 [0,2,0,0,0,0|1,0,0]=3 15553 B12R0.573 CCCC(=O)OCNC(C)(C)CO 2230a_100000210608_100000034017 [0,2,0,0,0,0|2,0,0]=4 15554 B12R0.573 CCCC(=O)OCSC(C)(C)CC 62a_100000032637_100000034017 [0,2,0,0,0,0|1,0,0]=3 15555 B12R0.573 CCCC(=O)OCSC(F)(F)CO 62a_100011217949_100000034017 [0,2,0,0,0,0|2,0,0]=4 15556 B12R0.573 CCOC(=O)OCSC(C)(C)CC 62a_100000032637_100000075025 [0,2,0,0,0,0|2,0,0]=4 15557 B12R0.72 CCCC(=O)CCCCC(F)(F)F 1458a_100000211992_100000692467 [0,2,0,0,0,0|2,0,0]=4 15558 B12R0.72 CCCC(=O)CNCCC(C)(C)C 2230a_100000738805_100000747444 [0,2,0,0,0,0|2,0,0]=4 15559 B12R0.72 CCCC(=O)CNCCC(C)(C)F 2230a_100016253952_100000747444 [0,2,0,0,0,0|2,0,0]=4 15560 B12R0.72 CCCC(=O)COCCC(C)(C)C 7a_100000765024_100000747444 [0,2,0,0,0,0|2,0,0]=4 15561 B12R0.72 CCCC(=O)CSCCC(C)(C)C 62a_100000747444_100000755188 [0,2,0,0,0,0|2,0,0]=4 15562 B12R0.72 CCCC(=O)CSCCC(C)(C)C 62a_100000755188_100000747444 [0,2,0,0,0,0|2,0,0]=4 15563 B12R0.72 CCCC(=O)CSCCC(C)(C)O 62a_100000702414_100000747444 [0,2,0,0,0,0|2,0,0]=4 15564 B12R0.72 CCCC(=O)CSCCC(C)(C)O 62a_100000747444_100000702414 [0,2,0,0,0,0|2,0,0]=4 15565 B12R0.72 CCCC(=O)NCCCC(F)(F)F 11a_100000727188_100000211992 [0,2,0,0,0,0|2,0,0]=4 15566 B12R0.72 CCCC(=O)NCCCC(F)(F)F 1626a_100000727188_100000211992 [0,2,0,0,0,0|2,0,0]=4 15567 B12R0.72 CCCC(=O)NCCCC(F)(F)F 240690a_100000727188_100000211992 [0,2,0,0,0,0|2,0,0]=4 15568 B12R0.72 CCCC(=O)NCCCC(F)(F)F 527a_100000727188_100000211992 [0,2,0,0,0,0|2,0,0]=4 15569 B12R0.72 CCCC(=O)NCCCS(=O)(=O)C 11a_100000742409_100000211992 [0,2,0,0,0,0|2,0,0]=4 15570 B12R0.72 CCCC(=O)NCCCS(=O)(=O)C 1626a_100000742409_100000211992 [0,2,0,0,0,0|2,0,0]=4 15571 B12R0.72 CCCC(=O)NCCCS(=O)(=O)C 240690a_100000742409_100000211992 [0,2,0,0,0,0|2,0,0]=4 15572 B12R0.72 CCCC(=O)NCCCS(=O)(=O)C 527a_100000742409_100000211992 [0,2,0,0,0,0|2,0,0]=4 15573 B12R0.72 CCCC(=O)NCCC[Si](C)(C)C 1626a_100000725946_100000211992 [0,2,0,0,0,0|1,1,0]=4 15574 B12R0.72 CCCC(=O)NCCC[Si](C)(C)C 240690a_100000725946_100000211992 [0,2,0,0,0,0|1,1,0]=4 15575 B12R0.72 CCCC(=O)NCCC[Si](C)(C)C 527a_100000725946_100000211992 [0,2,0,0,0,0|1,1,0]=4 15576 B12R0.72 CCCC(=O)NCCOC(C)(C)C 11a_100000747557_100000211992 [0,2,0,0,0,0|2,0,0]=4 15577 B12R0.72 CCCC(=O)NCCOC(C)(C)C 1626a_100000747557_100000211992 [0,2,0,0,0,0|2,0,0]=4 15578 B12R0.72 CCCC(=O)NCCOC(C)(C)C 240690a_100000747557_100000211992 [0,2,0,0,0,0|2,0,0]=4 15579 B12R0.72 CCCC(=O)NCCOC(C)(C)C 527a_100000747557_100000211992 [0,2,0,0,0,0|2,0,0]=4 15580 B12R0.72 CCCC(=O)NCCSC(C)(C)C 11a_100000689375_100000211992 [0,2,0,0,0,0|2,0,0]=4 15581 B12R0.72 CCCC(=O)NCCSC(C)(C)C 1626a_100000689375_100000211992 [0,2,0,0,0,0|2,0,0]=4 15582 B12R0.72 CCCC(=O)NCCSC(C)(C)C 240690a_100000689375_100000211992 [0,2,0,0,0,0|2,0,0]=4 15583 B12R0.72 CCCC(=O)NCCSC(C)(C)C 527a_100000689375_100000211992 [0,2,0,0,0,0|2,0,0]=4 15584 B12R0.72 CCCC(=O)OCNCC(C)(C)C 2230a_100000743828_100000034017 [0,2,0,0,0,0|1,0,0]=3 15585 B12R0.72 CCCC(=O)OCNCC(C)(C)F 2230a_100020643315_100000034017 [0,2,0,0,0,0|1,0,0]=3 15586 B12R0.72 CCCC(=O)OCNCC(C)(C)O 2230a_100000751335_100000034017 [0,2,0,0,0,0|1,0,0]=3 15587 B12R0.72 CCCC(=O)OCNCC(F)(F)F 34a_100000717047_100000034017 [0,2,0,0,0,0|2,0,0]=4 15588 B12R0.72 CCCC(=O)OCOCC(C)(C)F 34a_100000716592_100000034017 [0,2,0,0,0,0|1,0,0]=3 15589 B12R0.72 CCCC(=O)OCOCC(C)(F)F 34a_100000068830_100000034017 [0,2,0,0,0,0|1,0,0]=3 15590 B12R0.72 CCCC(=O)OCOCC(F)(F)Br 34a_100011217949_100000034017 [0,2,0,0,0,0|2,0,0]=4 15591 B12R0.72 CCCC(=O)OCOCC(F)(F)Cl 34a_100000734434_100000034017 [0,2,0,0,0,0|2,0,0]=4 15592 B12R0.72 CCCC(=O)OCOCC(F)(F)F 34a_100000210435_100000034017 [0,2,0,0,0,0|2,0,0]=4 15593 B12R0.72 CCCC(=O)OCSCC(C)(C)C 62a_100011219605_100000034017 [0,2,0,0,0,0|1,0,0]=3 15594 B12R0.72 CCCC(=O)OCSCC(C)(C)F 62a_100011997219_100000034017 [0,2,0,0,0,0|1,0,0]=3 15595 B12R0.72 CCCC(=O)OCSCC(C)(C)O 62a_100000764493_100000034017 [0,2,0,0,0,0|1,0,0]=3 15596 B12R0.72 CCCC(=O)OCSCC(F)(F)F 62a_100000763148_100000034017 [0,2,0,0,0,0|2,0,0]=4 15597 B12R0.72 CCCC(=O)OCSC[N+](C)(C)C 62a_200000036245_100000034017 [0,2,0,0,0,0|2,0,0]=4 15598 B12R0.72 CCCC(=O)OCSC[Si](C)(C)C 62a_100000037933_100000034017 [0,2,0,0,0,0|1,1,0]=4 15599 B12R0.72 CCCC(C)OCCCC(C)(C)O 34a_100000764384_100009888830 [0,2,0,0,0,0|1,0,1]=4 15600 B12R0.72 CCCC(C)OCCCC(C)(C)O 7a_100000764384_100009888830 [0,2,0,0,0,0|1,0,1]=4 15601 B12R0.72 CCOC(=O)OCSCC(C)(C)C 62a_100011219605_100000075025 [0,2,0,0,0,0|2,0,0]=4 15602 B12R0.72 CCOC(=O)OCSCC(C)(C)F 62a_100011997219_100000075025 [0,2,0,0,0,0|2,0,0]=4 15603 B12R0.72 CCOC(=O)OCSCC(C)(C)O 62a_100000764493_100000075025 [0,2,0,0,0,0|2,0,0]=4 15604 B12R0.172 CCCC(C)(C)OCCCC(C)C 7a_100000748436_100011214892 [0,2,0,0,0,0|1,0,1]=4 15605 B12R0.172 CCCC(C)(C)OCCCC(C)O 7a_100000748436_200000718107 [0,2,0,0,0,0|1,0,1]=4 15606 B12R0.172 CCCS(=O)(=O)NCCCC(C)C 270084a_200000737386_100000211391 [0,2,0,0,0,0|2,0,0]=4 15607 B12R0.172 CCCS(=O)(=O)NCCCC(C)C 274078a_200000737386_100000211391 [0,2,0,0,0,0|2,0,0]=4 15608 B12R0.172 CCCS(=O)(=O)NCCCC(C)C 40a_200000737386_100000054278 [0,2,0,0,0,0|2,0,0]=4 15609 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 15610 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 15611 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 15612 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [1,0,0,1,0,0|2,0,0]=4 15613 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|2,0,0]=4 15614 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 15615 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 15616 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,1,0,0|1,0,0]=3 15617 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [1,0,0,1,0,0|2,0,0]=4 15618 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [1,0,0,1,0,0|2,0,0]=4 15619 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [1,0,0,1,0,0|2,0,0]=4 15620 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [1,0,0,1,0,0|2,0,0]=4 15621 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [1,0,0,1,0,0|2,0,0]=4 15622 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [1,0,0,1,0,0|2,0,0]=4 15623 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100000210718_100000184674 [1,0,0,1,0,0|0,0,2]=4 15624 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100011220946_100000179811 [1,0,0,1,0,0|0,0,2]=4 15625 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [1,0,0,1,0,0|0,0,2]=4 15626 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [1,0,0,1,0,0|0,0,2]=4 15627 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [1,0,0,1,0,0|0,0,2]=4 15628 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [1,0,0,1,0,0|0,0,2]=4 15629 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [1,0,0,1,0,0|0,0,2]=4 15630 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [1,0,0,1,0,0|0,0,2]=4 15631 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [1,0,0,1,0,0|0,0,0]=2 15632 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [1,0,0,1,0,0|0,0,0]=2 15633 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [1,0,0,1,0,0|1,0,0]=3 15634 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [1,0,0,1,0,0|1,0,0]=3 15635 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [1,0,0,1,0,0|1,0,0]=3 15636 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [1,0,0,1,0,0|1,0,0]=3 15637 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [1,0,0,1,0,0|1,0,0]=3 15638 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [1,0,0,1,0,0|2,0,0]=4 15639 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [1,0,0,1,0,0|2,0,0]=4 15640 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [1,0,0,1,0,0|2,0,0]=4 15641 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [1,0,0,1,0,0|1,0,0]=3 15642 B10R1.11 CCCN(C)C1CCCC1 2230a_100000201646_200000210301 [1,0,0,1,0,0|2,0,0]=4 15643 B10R1.11 CCCN(C)C1CCCC1 2230a_100000207505_100000210303 [1,0,0,1,0,0|2,0,0]=4 15644 B10R1.11 CCCN(C)C1CCCC1 2230a_100000747261_100000179811 [1,0,0,1,0,0|2,0,0]=4 15645 B10R1.11 CCCN(C)C1CCCC1 269982a_100000201646_200000210301 [1,0,0,1,0,0|2,0,0]=4 15646 B10R1.11 CCCN(C)C1CCCC1 269982a_100000207505_100000210303 [1,0,0,1,0,0|2,0,0]=4 15647 B10R1.11 CCCN(C)C1CCCC1 269982a_100000747261_100000179811 [1,0,0,1,0,0|2,0,0]=4 15648 B10R1.11 CCCN(C)C1CCCC1 270004a_100000747261_100000210133 [1,0,0,1,0,0|2,0,0]=4 15649 B10R1.11 CCCN(C)C1CCCC1 34a_100000201646_200000210301 [1,0,0,1,0,0|2,0,0]=4 15650 B10R1.11 CCCN(C)C1CCCC1 34a_100000207505_100000210303 [1,0,0,1,0,0|2,0,0]=4 15651 B10R1.11 CCCN([13CH3])C1CCCC1 2230a_100000201646_200025704644 [1,0,0,1,0,0|2,0,0]=4 15652 B10R1.11 CCCN([13CH3])C1CCCC1 269982a_100000201646_200025704644 [1,0,0,1,0,0|2,0,0]=4 15653 B10R1.11 CCCN([13CH3])C1CCCC1 34a_100000201646_200025704644 [1,0,0,1,0,0|2,0,0]=4 15654 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [1,0,0,1,0,0|1,0,0]=3 15655 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [1,0,0,1,0,0|1,0,0]=3 15656 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [1,0,0,1,0,0|1,0,0]=3 15657 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 15658 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 15659 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 15660 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [1,0,0,1,0,0|2,0,0]=4 15661 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [1,0,0,1,0,0|2,0,0]=4 15662 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [1,0,0,1,0,0|2,0,0]=4 15663 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [1,0,0,1,0,0|2,0,0]=4 15664 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [1,0,0,1,0,0|2,0,0]=4 15665 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 15666 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 15667 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 15668 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [1,0,0,1,0,0|2,0,0]=4 15669 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [1,0,0,1,0,0|2,0,0]=4 15670 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [1,0,0,1,0,0|2,0,0]=4 15671 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [1,0,0,1,0,0|2,0,0]=4 15672 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [1,0,0,1,0,0|2,0,0]=4 15673 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [1,0,0,1,0,0|1,0,0]=3 15674 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [1,0,0,1,0,0|2,0,0]=4 15675 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [1,0,0,1,0,0|2,0,0]=4 15676 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [1,0,0,1,0,0|2,0,0]=4 15677 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [1,0,0,1,0,0|2,0,0]=4 15678 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [1,0,0,1,0,0|2,0,0]=4 15679 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [1,0,0,1,0,0|1,0,0]=3 15680 B10R1.11 CSCC(=O)C1CCOC1 1458a_100000184570_100000690089 [1,0,0,1,0,0|2,0,0]=4 15681 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [1,0,0,1,0,0|2,0,0]=4 15682 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [1,0,0,1,0,0|2,0,0]=4 15683 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [1,0,0,1,0,0|2,0,0]=4 15684 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [1,0,0,1,0,0|2,0,0]=4 15685 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100000210718_100011214920 [1,0,0,1,0,0|1,0,1]=4 15686 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100051588842_100000179811 [1,0,0,1,0,0|1,0,1]=4 15687 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [1,0,0,1,0,0|1,0,0]=3 15688 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [1,0,0,1,0,0|2,0,0]=4 15689 B10R1.11 O=C(CCF)C1CCOC1 1458a_100011219752_100011217306 [1,0,0,1,0,0|2,0,0]=4 15690 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [1,0,0,1,0,0|2,0,0]=4 15691 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [1,0,0,1,0,0|1,0,0]=3 15692 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [1,0,0,1,0,0|1,0,0]=3 15693 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [1,0,0,1,0,0|2,0,0]=4 15694 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [1,0,0,1,0,0|2,0,0]=4 15695 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [1,0,0,1,0,0|2,0,0]=4 15696 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [1,0,0,1,0,0|2,0,0]=4 15697 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [1,0,0,1,0,0|2,0,0]=4 15698 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [1,0,0,1,0,0|2,0,0]=4 15699 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [1,0,0,1,0,0|2,0,0]=4 15700 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [1,0,0,1,0,0|2,0,0]=4 15701 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [1,0,0,1,0,0|2,0,0]=4 15702 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [1,0,0,1,0,0|1,0,0]=3 15703 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [1,0,0,1,0,0|2,0,0]=4 15704 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [1,0,0,1,0,0|2,0,0]=4 15705 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [1,0,0,1,0,0|2,0,0]=4 15706 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [1,0,0,1,0,0|2,0,0]=4 15707 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [1,0,0,1,0,0|1,0,0]=3 15708 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [1,0,0,1,0,0|1,0,0]=3 15709 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [1,0,0,1,0,0|2,0,0]=4 15710 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [1,0,0,1,0,0|2,0,0]=4 15711 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [1,0,0,1,0,0|2,0,0]=4 15712 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [1,0,0,1,0,0|2,0,0]=4 15713 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [1,0,0,1,0,0|1,0,0]=3 15714 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [1,0,0,1,0,0|1,0,0]=3 15715 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [1,0,0,1,0,0|2,0,0]=4 15716 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [1,0,0,1,0,0|2,0,0]=4 15717 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [1,0,0,1,0,0|2,0,0]=4 15718 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [1,0,0,1,0,0|2,0,0]=4 15719 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [1,0,0,1,0,0|1,0,1]=4 15720 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [1,0,0,1,0,0|1,0,1]=4 15721 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [1,0,0,1,0,0|1,0,1]=4 15722 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [1,0,0,1,0,0|1,0,1]=4 15723 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [1,0,0,1,0,0|0,0,2]=4 15724 B10R1.24 CCCCCN1CC(C1)C 2230a_100000702820_100000210326 [1,0,0,1,0,0|2,0,0]=4 15725 B10R1.24 CCCCCN1CC(C1)C 269982a_100000702820_100000210215 [1,0,0,1,0,0|2,0,0]=4 15726 B10R1.24 CCCCCN1CC(C1)C 34a_100000702820_100000718602 [1,0,0,1,0,0|2,0,0]=4 15727 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 15728 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 15729 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [1,0,0,1,0,0|1,0,0]=3 15730 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [1,0,0,1,0,0|1,0,0]=3 15731 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [1,0,0,1,0,0|2,0,0]=4 15732 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [1,0,0,1,0,0|2,0,0]=4 15733 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [1,0,0,1,0,0|1,0,0]=3 15734 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [1,0,0,1,0,0|1,0,0]=3 15735 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [1,0,0,1,0,0|2,0,0]=4 15736 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [1,0,0,1,0,0|2,0,0]=4 15737 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [1,0,0,1,0,0|2,0,0]=4 15738 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [1,0,0,1,0,0|2,0,0]=4 15739 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [1,0,0,1,0,0|2,0,0]=4 15740 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [1,0,0,1,0,0|2,0,0]=4 15741 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [1,0,0,1,0,0|2,0,0]=4 15742 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [1,0,0,1,0,0|2,0,0]=4 15743 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [1,0,0,1,0,0|2,0,0]=4 15744 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [1,0,0,1,0,0|2,0,0]=4 15745 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [1,0,0,1,0,0|2,0,0]=4 15746 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [1,0,0,1,0,0|2,0,0]=4 15747 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [1,0,0,1,0,0|2,0,0]=4 15748 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [1,0,0,1,0,0|2,0,0]=4 15749 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [1,0,0,1,0,0|2,0,0]=4 15750 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [1,0,0,1,0,0|2,0,0]=4 15751 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [1,0,0,1,0,0|2,0,0]=4 15752 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [1,0,0,1,0,0|2,0,0]=4 15753 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [1,0,0,1,0,0|2,0,0]=4 15754 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [1,0,0,1,0,0|2,0,0]=4 15755 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [1,0,0,1,0,0|2,0,0]=4 15756 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [1,0,0,1,0,0|2,0,0]=4 15757 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [1,0,0,1,0,0|2,0,0]=4 15758 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [1,0,0,1,0,0|2,0,0]=4 15759 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [1,0,0,1,0,0|2,0,0]=4 15760 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [1,0,0,1,0,0|2,0,0]=4 15761 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [1,0,0,1,0,0|2,0,0]=4 15762 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [1,0,0,1,0,0|2,0,0]=4 15763 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [1,0,0,1,0,0|2,0,0]=4 15764 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [1,0,0,1,0,0|2,0,0]=4 15765 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [1,0,0,1,0,0|2,0,0]=4 15766 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [1,0,0,1,0,0|2,0,0]=4 15767 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [1,0,0,1,0,0|2,0,0]=4 15768 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [1,0,0,1,0,0|2,0,0]=4 15769 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [1,0,0,1,0,0|2,0,0]=4 15770 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 15771 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 15772 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 15773 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 15774 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 15775 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 15776 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [1,0,0,1,0,0|2,0,0]=4 15777 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [1,0,0,1,0,0|2,0,0]=4 15778 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [1,0,0,1,0,0|2,0,0]=4 15779 B10R1.135 C#CCC(=O)C1CC1CC 1458a_200011661523_100000184674 [1,0,0,1,0,0|0,0,2]=4 15780 B10R1.135 C=CCC(=O)C1CC1CC 1458a_200011661523_100000210623 [1,0,0,1,0,0|0,0,2]=4 15781 B10R1.135 CCC1CC1C(=O)CC#N 1458a_200011661523_100011214920 [1,0,0,1,0,0|1,0,1]=4 15782 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [1,0,0,1,0,0|1,0,0]=3 15783 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [1,0,0,1,0,0|1,0,0]=3 15784 B10R1.135 CCC1CC1C(=O)NNC 22a_100016993582_200011661523 [1,0,0,1,0,0|2,0,0]=4 15785 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [1,0,0,1,0,0|0,0,0]=2 15786 B10R1.135 CCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210303 [1,0,0,1,0,0|1,0,1]=4 15787 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [1,0,0,1,0,0|1,0,0]=3 15788 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [1,0,0,1,0,0|1,0,0]=3 15789 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [1,0,0,1,0,0|1,0,0]=3 15790 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211992 [1,0,0,1,0,0|2,0,0]=4 15791 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211992 [1,0,0,1,0,0|2,0,0]=4 15792 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 15793 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 15794 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 15795 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 15796 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100000763092_100000184674 [1,0,0,1,0,0|0,0,2]=4 15797 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100011220946_100000763275 [1,0,0,1,0,0|0,0,2]=4 15798 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000210193_100000763275 [1,0,0,1,0,0|0,0,2]=4 15799 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000763092_100000210623 [1,0,0,1,0,0|0,0,2]=4 15800 B10R1.137 CC#CC(=O)CC1CCC1 1458a_100000763181_100000763275 [1,0,0,1,0,0|0,0,2]=4 15801 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [1,0,0,1,0,0|0,0,2]=4 15802 B10R1.137 CCCC(=O)C=C1CCC1 1458a_100000686340_100000210303 [1,0,0,1,0,0|0,0,2]=4 15803 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [1,0,0,1,0,0|0,0,0]=2 15804 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [1,0,0,1,0,0|0,0,0]=2 15805 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [1,0,0,1,0,0|1,0,0]=3 15806 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [1,0,0,1,0,0|1,0,0]=3 15807 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [1,0,0,1,0,0|1,0,0]=3 15808 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [1,0,0,1,0,0|1,0,0]=3 15809 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 15810 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 15811 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 15812 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 15813 B10R1.137 CCCC(=O)NC1COC1 11a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 15814 B10R1.137 CCCC(=O)NC1COC1 1626a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 15815 B10R1.137 CCCC(=O)NC1COC1 240690a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 15816 B10R1.137 CCCC(=O)NC1COC1 527a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 15817 B10R1.137 CCCC(=O)NC1CSC1 11a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 15818 B10R1.137 CCCC(=O)NC1CSC1 1626a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 15819 B10R1.137 CCCC(=O)NC1CSC1 240690a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 15820 B10R1.137 CCCC(=O)NC1CSC1 527a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 15821 B10R1.137 CCCC(C)OC1CCC1 34a_100000748187_100000766640 [1,0,0,1,0,0|1,0,1]=4 15822 B10R1.137 CCCC(C)OC1CCC1 34a_100000764384_100000749161 [1,0,0,1,0,0|1,0,1]=4 15823 B10R1.137 CCCN(C)CC1CCC1 2230a_100000747261_100000763275 [1,0,0,1,0,0|2,0,0]=4 15824 B10R1.137 CCCN(C)CC1CCC1 2230a_200000750244_100000210303 [1,0,0,1,0,0|2,0,0]=4 15825 B10R1.137 CCCN(C)CC1CCC1 269982a_100000747261_100000763275 [1,0,0,1,0,0|2,0,0]=4 15826 B10R1.137 CCCN(C)CC1CCC1 269982a_200000750244_100000210303 [1,0,0,1,0,0|2,0,0]=4 15827 B10R1.137 CCCN(C)CC1CCC1 34a_200000750244_100000210303 [1,0,0,1,0,0|2,0,0]=4 15828 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [1,0,0,1,0,0|1,0,0]=3 15829 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [1,0,0,1,0,0|1,0,0]=3 15830 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [1,0,0,1,0,0|1,0,0]=3 15831 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [1,0,0,1,0,0|2,0,0]=4 15832 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [1,0,0,1,0,0|2,0,0]=4 15833 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 15834 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [1,0,0,1,0,0|2,0,0]=4 15835 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 15836 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [1,0,0,1,0,0|2,0,0]=4 15837 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 15838 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [1,0,0,1,0,0|2,0,0]=4 15839 B10R1.137 CNNC(=O)CC1CCC1 22a_100016993582_100000763092 [1,0,0,1,0,0|2,0,0]=4 15840 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [1,0,0,1,0,0|1,0,0]=3 15841 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [1,0,0,1,0,0|2,0,0]=4 15842 B10R1.137 COCC(=O)CC1COC1 1458a_100000210968_100010264016 [1,0,0,1,0,0|2,0,0]=4 15843 B10R1.137 COCC(=O)NC1CCC1 11a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 15844 B10R1.137 COCC(=O)NC1CCC1 1626a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 15845 B10R1.137 COCC(=O)NC1CCC1 240690a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 15846 B10R1.137 COCC(=O)NC1CCC1 527a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 15847 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [1,0,0,1,0,0|1,0,0]=3 15848 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [1,0,0,1,0,0|2,0,0]=4 15849 B10R1.137 CSCC(=O)CC1COC1 1458a_100000184570_100010264016 [1,0,0,1,0,0|2,0,0]=4 15850 B10R1.137 CSCC(=O)NC1CCC1 11a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 15851 B10R1.137 CSCC(=O)NC1CCC1 1626a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 15852 B10R1.137 CSCC(=O)NC1CCC1 240690a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 15853 B10R1.137 CSCC(=O)NC1CCC1 527a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 15854 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100000763092_100011214920 [1,0,0,1,0,0|1,0,1]=4 15855 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100051588842_100000763275 [1,0,0,1,0,0|1,0,1]=4 15856 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [1,0,0,1,0,0|1,0,0]=3 15857 B10R1.137 O=C(CCF)CC1COC1 1458a_100000687760_100011217306 [1,0,0,1,0,0|2,0,0]=4 15858 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [1,0,0,1,0,0|1,0,0]=3 15859 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [1,0,0,1,0,0|1,0,0]=3 15860 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [1,0,0,1,0,0|2,0,0]=4 15861 B10R1.137 O=C(CCO)CC1COC1 1458a_100000687760_100000211926 [1,0,0,1,0,0|2,0,0]=4 15862 B10R1.137 O=C(CCO)CC1COC1 1458a_100011216618_100010264016 [1,0,0,1,0,0|2,0,0]=4 15863 B10R1.137 O=C(CCO)NC1CCC1 240690a_100000749019_100011216618 [1,0,0,1,0,0|2,0,0]=4 15864 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100000756386_100000184674 [1,0,0,1,0,0|0,0,2]=4 15865 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100011220946_100000694398 [1,0,0,1,0,0|0,0,2]=4 15866 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000210193_100000694398 [1,0,0,1,0,0|0,0,2]=4 15867 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000756386_100000210623 [1,0,0,1,0,0|0,0,2]=4 15868 B10R1.138 CC#CC(=O)CCC1CC1 1458a_100000763181_100000694398 [1,0,0,1,0,0|0,0,2]=4 15869 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [1,0,0,1,0,0|0,0,2]=4 15870 B10R1.138 CCCC(=O)C=CC1CC1 1458a_100102529529_100000210303 [1,0,0,1,0,0|0,0,2]=4 15871 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [1,0,0,1,0,0|0,0,0]=2 15872 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [1,0,0,1,0,0|0,0,0]=2 15873 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [1,0,0,1,0,0|1,0,0]=3 15874 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [1,0,0,1,0,0|1,0,0]=3 15875 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 15876 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 15877 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 15878 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 15879 B10R1.138 CCCC(=O)NNC1CC1 22a_100000701032_100000211992 [1,0,0,1,0,0|2,0,0]=4 15880 B10R1.138 CCCC(C)OCC1CC1 34a_100000211283_100000766640 [1,0,0,1,0,0|1,0,1]=4 15881 B10R1.138 CCCC(C)OCC1CC1 34a_100000764384_100000742324 [1,0,0,1,0,0|1,0,1]=4 15882 B10R1.138 CCCC(C)OCC1CC1 7a_100000764384_100000742324 [1,0,0,1,0,0|1,0,1]=4 15883 B10R1.138 CCCN(C)CCC1CC1 2230a_100000747261_100000694398 [1,0,0,1,0,0|2,0,0]=4 15884 B10R1.138 CCCN(C)CCC1CC1 269982a_100000747261_100000694398 [1,0,0,1,0,0|2,0,0]=4 15885 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [1,0,0,1,0,0|1,0,0]=3 15886 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [1,0,0,1,0,0|1,0,0]=3 15887 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [1,0,0,1,0,0|1,0,0]=3 15888 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [1,0,0,1,0,0|2,0,0]=4 15889 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [1,0,0,1,0,0|2,0,0]=4 15890 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 15891 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 15892 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 15893 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 15894 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 15895 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 15896 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [1,0,0,1,0,0|2,0,0]=4 15897 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [1,0,0,1,0,0|2,0,0]=4 15898 B10R1.138 CNNC(=O)CCC1CC1 22a_100016993582_100000756386 [1,0,0,1,0,0|2,0,0]=4 15899 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [1,0,0,1,0,0|1,0,0]=3 15900 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [1,0,0,1,0,0|2,0,0]=4 15901 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 15902 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 15903 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 15904 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 15905 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [1,0,0,1,0,0|1,0,0]=3 15906 B10R1.138 CSCC(=O)CCC1CO1 1458a_100000184570_100000732470 [1,0,0,1,0,0|2,0,0]=4 15907 B10R1.138 CSCC(=O)NCC1CC1 11a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 15908 B10R1.138 CSCC(=O)NCC1CC1 1626a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 15909 B10R1.138 CSCC(=O)NCC1CC1 240690a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 15910 B10R1.138 CSCC(=O)NCC1CC1 527a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 15911 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100000756386_100011214920 [1,0,0,1,0,0|1,0,1]=4 15912 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100051588842_100000694398 [1,0,0,1,0,0|1,0,1]=4 15913 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [1,0,0,1,0,0|1,0,0]=3 15914 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [1,0,0,1,0,0|1,0,0]=3 15915 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [1,0,0,1,0,0|1,0,0]=3 15916 B10R1.138 O=C(CCO)CCC1CO1 1458a_100011216618_100000732470 [1,0,0,1,0,0|2,0,0]=4 15917 B10R1.138 O=C(CCO)NCC1CC1 240690a_100000735609_100011216618 [1,0,0,1,0,0|2,0,0]=4 15918 B10R1.139 CC1CCN1C(=O)CCO 240690a_100000755817_100011216618 [1,0,0,1,0,0|2,0,0]=4 15919 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [1,0,0,1,0,0|1,0,1]=4 15920 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [1,0,0,1,0,0|1,0,0]=3 15921 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [1,0,0,1,0,0|1,0,0]=3 15922 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [1,0,0,1,0,0|1,0,0]=3 15923 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [1,0,0,1,0,0|2,0,0]=4 15924 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [1,0,0,1,0,0|2,0,0]=4 15925 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [1,0,0,1,0,0|2,0,0]=4 15926 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [1,0,0,1,0,0|2,0,0]=4 15927 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [1,0,0,1,0,0|2,0,0]=4 15928 B10R1.139 CSCC(=O)N1CCC1C 11a_100000755817_100000184570 [1,0,0,1,0,0|2,0,0]=4 15929 B10R1.139 CSCC(=O)N1CCC1C 240690a_100000755817_100000184570 [1,0,0,1,0,0|2,0,0]=4 15930 B10R1.139 CSCC(=O)N1CCC1C 527a_100000755817_100000184570 [1,0,0,1,0,0|2,0,0]=4 15931 B10R1.186 C#CCCCC(=O)C1CC1 1458a_100000210395_100000731252 [1,0,0,1,0,0|0,0,2]=4 15932 B10R1.186 C=CCCCC(=O)C1CC1 1458a_100000210395_100000757094 [1,0,0,1,0,0|0,0,2]=4 15933 B10R1.186 CC/C=C\CC(=O)C1CC1 1458a_100000210395_100103147603 [1,0,0,1,0,0|0,0,2]=4 15934 B10R1.186 CCC#CCC(=O)C1CC1 1458a_100000210395_100009813939 [1,0,0,1,0,0|0,0,2]=4 15935 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [1,0,0,1,0,0|0,0,0]=2 15936 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [1,0,0,1,0,0|1,0,0]=3 15937 B10R1.186 CCCCCN(C)C1CC1 2230a_100000226674_100000210326 [1,0,0,1,0,0|2,0,0]=4 15938 B10R1.186 CCCCCN(C)C1CC1 269982a_100000223495_100000211595 [1,0,0,1,0,0|2,0,0]=4 15939 B10R1.186 CCCCCN(C)C1CC1 269982a_100000226674_100000210215 [1,0,0,1,0,0|2,0,0]=4 15940 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 15941 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 15942 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 15943 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 15944 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 15945 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 15946 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 15947 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 15948 B10R1.186 CCCCOC(C)C1CC1 34a_100000744524_100000210210 [1,0,0,1,0,0|1,0,1]=4 15949 B10R1.186 CCCCOC(C)C1CC1 7a_100000744524_100000210211 [1,0,0,1,0,0|1,0,1]=4 15950 B10R1.186 CCCNNC(=O)C1CC1 22a_100000740057_100000210395 [1,0,0,1,0,0|2,0,0]=4 15951 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [1,0,0,1,0,0|1,0,0]=3 15952 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [1,0,0,1,0,0|1,0,0]=3 15953 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [1,0,0,1,0,0|1,0,0]=3 15954 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [1,0,0,1,0,0|1,0,0]=3 15955 B10R1.186 CCNCOC(=O)C1CC1 2230a_100015525214_100000140896 [1,0,0,1,0,0|1,0,0]=3 15956 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [1,0,0,1,0,0|1,0,0]=3 15957 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [1,0,0,1,0,0|2,0,0]=4 15958 B10R1.186 CCOCOC(=O)C1CC1 34a_100121572206_100000140896 [1,0,0,1,0,0|1,0,0]=3 15959 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [1,0,0,1,0,0|1,0,0]=3 15960 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [1,0,0,1,0,0|2,0,0]=4 15961 B10R1.186 CCSCOC(=O)C1CC1 62a_100000140896_100000210202 [1,0,0,1,0,0|1,0,0]=3 15962 B10R1.186 CCSCOC(=O)C1CC1 62a_100000210202_100000140896 [1,0,0,1,0,0|1,0,0]=3 15963 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [1,0,0,1,0,0|1,0,0]=3 15964 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [1,0,0,1,0,0|2,0,0]=4 15965 B10R1.186 COCCNC(=O)C1CC1 1626a_100000209980_100000210395 [1,0,0,1,0,0|2,0,0]=4 15966 B10R1.186 COCCNC(=O)C1CC1 240690a_100000209980_100000210395 [1,0,0,1,0,0|2,0,0]=4 15967 B10R1.186 COCCNC(=O)C1CC1 527a_100000209980_100000210395 [1,0,0,1,0,0|2,0,0]=4 15968 B10R1.186 COCSCC(=O)C1CC1 62a_100000746382_100000766300 [1,0,0,1,0,0|2,0,0]=4 15969 B10R1.186 COCSCC(=O)C1CC1 62a_100000766300_100000746382 [1,0,0,1,0,0|2,0,0]=4 15970 B10R1.186 CSCCNC(=O)C1CC1 11a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 15971 B10R1.186 CSCCNC(=O)C1CC1 1626a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 15972 B10R1.186 CSCCNC(=O)C1CC1 240690a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 15973 B10R1.186 CSCCNC(=O)C1CC1 527a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 15974 B10R1.186 CSCOCC(=O)C1CC1 34a_100000686663_100011218213 [1,0,0,1,0,0|2,0,0]=4 15975 B10R1.186 CSCSCC(=O)C1CC1 62a_100000746382_100011218213 [1,0,0,1,0,0|2,0,0]=4 15976 B10R1.186 CSCSCC(=O)C1CC1 62a_100011218213_100000746382 [1,0,0,1,0,0|2,0,0]=4 15977 B10R1.186 N#CCCCC(=O)C1CC1 1458a_100000210395_100000211468 [1,0,0,1,0,0|1,0,1]=4 15978 B10R1.186 NCCOCC(=O)C1CC1 34a_100000210304_100000746382 [1,0,0,1,0,0|2,0,0]=4 15979 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [1,0,0,1,0,0|1,0,0]=3 15980 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [1,0,0,1,0,0|2,0,0]=4 15981 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [1,0,0,1,0,0|1,0,0]=3 15982 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [1,0,0,1,0,0|2,0,0]=4 15983 B10R1.186 O=C(CNCCF)C1CC1 34a_100000724931_100000746382 [1,0,0,1,0,0|2,0,0]=4 15984 B10R1.186 O=C(CNCCO)C1CC1 2230a_100016997473_100000746382 [1,0,0,1,0,0|2,0,0]=4 15985 B10R1.186 O=C(CNCCO)C1CC1 34a_100016990907_100000746382 [1,0,0,1,0,0|2,0,0]=4 15986 B10R1.186 O=C(COCCBr)C1CC1 34a_100000211926_100000746382 [1,0,0,1,0,0|2,0,0]=4 15987 B10R1.186 O=C(COCCF)C1CC1 34a_100000686663_100011217306 [1,0,0,1,0,0|2,0,0]=4 15988 B10R1.186 O=C(COCCO)C1CC1 34a_100000686663_100000211926 [1,0,0,1,0,0|2,0,0]=4 15989 B10R1.186 O=C(CSCCF)C1CC1 62a_100000746382_100011217306 [1,0,0,1,0,0|2,0,0]=4 15990 B10R1.186 O=C(CSCCF)C1CC1 62a_100011217306_100000746382 [1,0,0,1,0,0|2,0,0]=4 15991 B10R1.186 O=C(CSCCO)C1CC1 62a_100000211926_100000746382 [1,0,0,1,0,0|2,0,0]=4 15992 B10R1.186 O=C(CSCCO)C1CC1 62a_100000746382_100000211926 [1,0,0,1,0,0|2,0,0]=4 15993 B10R1.186 O=C(NCCCF)C1CC1 11a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 15994 B10R1.186 O=C(NCCCF)C1CC1 1626a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 15995 B10R1.186 O=C(NCCCF)C1CC1 240690a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 15996 B10R1.186 O=C(NCCCF)C1CC1 527a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 15997 B10R1.186 O=C(NCCCO)C1CC1 240690a_100000182051_100000210395 [1,0,0,1,0,0|2,0,0]=4 15998 B10R1.186 O=C(NCCCO)C1CC1 527a_100000182051_100000210395 [1,0,0,1,0,0|2,0,0]=4 15999 B10R1.186 O=C(OCSCF)C1CC1 62a_100000140896_100015361967 [1,0,0,1,0,0|2,0,0]=4 16000 B10R1.186 O=C(OCSCF)C1CC1 62a_100015361967_100000140896 [1,0,0,1,0,0|2,0,0]=4 16001 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [1,0,0,1,0,0|2,0,0]=4 16002 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [1,0,0,1,0,0|2,0,0]=4 16003 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [1,0,0,1,0,0|2,0,0]=4 16004 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [1,0,0,1,0,0|2,0,0]=4 16005 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [1,0,0,1,0,0|2,0,0]=4 16006 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [1,0,0,1,0,0|2,0,0]=4 16007 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [1,0,0,1,0,0|2,0,0]=4 16008 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [1,0,0,1,0,0|2,0,0]=4 16009 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [1,0,0,1,0,0|2,0,0]=4 16010 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [1,0,0,1,0,0|2,0,0]=4 16011 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [1,0,0,1,0,0|2,0,0]=4 16012 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [1,0,0,1,0,0|2,0,0]=4 16013 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [1,0,0,1,0,0|2,0,0]=4 16014 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [1,0,0,1,0,0|2,0,0]=4 16015 B10R1.376 CCCCOC1(CCC1)C 34a_100000759064_100000210210 [1,0,0,1,0,0|1,0,1]=4 16016 B10R1.376 CCCCOC1(CCC1)C 7a_100000759064_100000210211 [1,0,0,1,0,0|1,0,1]=4 16017 B10R1.4 CC1CC=CCC1CO[13CH3] 34a_100000211322_200025704644 [1,0,0,1,0,0|2,0,0]=4 16018 B10R1.4 CCCC1COCCN1C 2230a_102495339903_200000210301 [1,0,0,1,0,0|1,0,1]=4 16019 B10R1.4 CCCC1COCCN1C 269982a_102495339903_200000210301 [1,0,0,1,0,0|1,0,1]=4 16020 B10R1.4 CCCC1COCCN1C 34a_102495339903_200000210301 [1,0,0,1,0,0|1,0,1]=4 16021 B10R1.4 CCCC1COCCN1[13CH3] 2230a_102495339903_200025704644 [1,0,0,1,0,0|1,0,1]=4 16022 B10R1.4 CCCC1COCCN1[13CH3] 269982a_102495339903_200025704644 [1,0,0,1,0,0|1,0,1]=4 16023 B10R1.4 CCCC1COCCN1[13CH3] 34a_102495339903_200025704644 [1,0,0,1,0,0|1,0,1]=4 16024 B10R1.4 CCCN1CCCCC1C 2230a_100000211376_100000210303 [1,0,0,1,0,0|2,0,0]=4 16025 B10R1.4 CCCN1CCCCC1C 269982a_100000211376_100000210303 [1,0,0,1,0,0|2,0,0]=4 16026 B10R1.4 CCCN1CCCCC1C 34a_100000211376_100000210303 [1,0,0,1,0,0|2,0,0]=4 16027 B10R1.4 CNCC1CC=CCC1C 269862a_106832991636_100000117039 [1,0,0,1,0,0|2,0,0]=4 16028 B10R1.4 CNCC1CC=CCC1C 270004a_106832991635_100000117039 [1,0,0,1,0,0|2,0,0]=4 16029 B10R1.4 COCC1CC=CCC1C 34a_100000211322_200000210301 [1,0,0,1,0,0|2,0,0]=4 16030 B10R1.5 CCCN1CC=CC1CC 2230a_100000730860_100000210303 [1,0,0,1,0,0|2,0,0]=4 16031 B10R1.5 CCCN1CC=CC1CC 269982a_100000730860_100000210303 [1,0,0,1,0,0|2,0,0]=4 16032 B10R1.5 CCCN1CC=CC1CC 34a_100000730860_100000210303 [1,0,0,1,0,0|2,0,0]=4 16033 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [1,0,0,1,0,0|2,0,0]=4 16034 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [1,0,0,1,0,0|2,0,0]=4 16035 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [1,0,0,1,0,0|2,0,0]=4 16036 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [1,0,0,1,0,0|2,0,0]=4 16037 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [1,0,0,1,0,0|2,0,0]=4 16038 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [1,0,0,1,0,0|2,0,0]=4 16039 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [1,0,0,1,0,0|2,0,0]=4 16040 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [1,0,0,1,0,0|2,0,0]=4 16041 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [1,0,0,1,0,0|2,0,0]=4 16042 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [1,0,0,1,0,0|2,0,0]=4 16043 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [1,0,0,1,0,0|1,0,1]=4 16044 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [1,0,0,1,0,0|2,0,0]=4 16045 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [1,0,0,1,0,0|2,0,0]=4 16046 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [1,0,0,1,0,0|2,0,0]=4 16047 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [1,0,0,1,0,0|2,0,0]=4 16048 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [1,0,0,1,0,0|1,0,1]=4 16049 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [1,0,0,1,0,0|1,0,1]=4 16050 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [1,0,0,1,0,0|1,0,1]=4 16051 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [1,0,0,1,0,0|1,0,1]=4 16052 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [1,0,0,1,0,0|1,0,1]=4 16053 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [1,0,0,1,0,0|1,0,1]=4 16054 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [1,0,0,1,0,0|1,0,1]=4 16055 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [1,0,0,1,0,0|1,0,1]=4 16056 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [1,0,0,1,0,0|1,0,1]=4 16057 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [1,0,0,1,0,0|1,0,1]=4 16058 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [1,0,0,1,0,0|1,0,1]=4 16059 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [1,0,0,1,0,0|1,0,1]=4 16060 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [1,0,0,1,0,0|1,0,1]=4 16061 B10R1.20 CC[C@H]1COCCN1CC 2230a_100016988097_100000210202 [1,0,0,1,0,0|1,0,1]=4 16062 B10R1.20 CC[C@H]1COCCN1CC 269982a_100016988097_100000204670 [1,0,0,1,0,0|1,0,1]=4 16063 B10R1.20 CC[C@H]1COCCN1CC 34a_100016988097_100000210202 [1,0,0,1,0,0|1,0,1]=4 16064 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [1,0,0,1,0,0|1,0,1]=4 16065 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [1,0,0,1,0,0|1,0,1]=4 16066 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [1,0,0,1,0,0|1,0,1]=4 16067 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [1,0,0,1,0,0|1,0,1]=4 16068 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [1,0,0,1,0,0|1,0,1]=4 16069 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [1,0,0,1,0,0|1,0,1]=4 16070 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [1,0,0,1,0,0|0,0,1]=3 16071 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [1,0,0,1,0,0|0,0,1]=3 16072 B10R1.56 COCCOCC1CC1C 34a_100000744939_100011201679 [1,0,0,1,0,0|1,0,1]=4 16073 B10R1.56 COCCOCC1CC1C 7a_100000744939_100000233755 [1,0,0,1,0,0|1,0,1]=4 16074 B10R1.56 CSCCOCC1CC1C 34a_100000744939_100000212216 [1,0,0,1,0,0|1,0,1]=4 16075 B10R1.56 CSCCOCC1CC1C 7a_100000744939_100000212216 [1,0,0,1,0,0|1,0,1]=4 16076 B10R1.57 BrCCCCOC1CCC1 34a_100011216708_100000749161 [1,0,0,1,0,0|1,0,1]=4 16077 B10R1.57 BrCCCOCC1CCC1 34a_100011217188_100000763275 [1,0,0,1,0,0|1,0,1]=4 16078 B10R1.57 CCCC=NNC1CCC1 4a_100000736358_100000185831 [1,0,0,1,0,0|2,0,0]=4 16079 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [1,0,0,1,0,0|2,0,0]=4 16080 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [1,0,0,1,0,0|1,0,1]=4 16081 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [1,0,0,1,0,0|1,0,1]=4 16082 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [1,0,0,1,0,0|1,0,1]=4 16083 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [1,0,0,1,0,0|0,0,1]=3 16084 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [1,0,0,1,0,0|0,0,1]=3 16085 B10R1.57 CCCCCOC1COC1 34a_100000210253_100009818527 [1,0,0,1,0,0|1,0,1]=4 16086 B10R1.57 CCCCCOC1COC1 7a_100000210253_100009818527 [1,0,0,1,0,0|1,0,1]=4 16087 B10R1.57 CCCCCOC1CSC1 7a_100000072292_100000210326 [1,0,0,1,0,0|1,0,1]=4 16088 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [1,0,0,1,0,0|0,1,1]=4 16089 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [1,0,0,1,0,0|1,0,1]=4 16090 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [1,0,0,1,0,0|1,0,1]=4 16091 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [1,0,0,1,0,0|1,0,1]=4 16092 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [1,0,0,1,0,0|1,0,1]=4 16093 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [1,0,0,1,0,0|1,0,1]=4 16094 B10R1.57 CCCCNN=C1CCC1 4a_100025702795_100000241760 [1,0,0,1,0,0|2,0,0]=4 16095 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [1,0,0,1,0,0|0,0,1]=3 16096 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [1,0,0,1,0,0|0,0,1]=3 16097 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [1,0,0,1,0,0|0,0,1]=3 16098 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [1,0,0,1,0,0|1,0,1]=4 16099 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [1,0,0,1,0,0|1,0,1]=4 16100 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [1,0,0,1,0,0|1,0,1]=4 16101 B10R1.57 CCCCOCC1CNC1 34a_100016987283_100000210210 [1,0,0,1,0,0|1,0,1]=4 16102 B10R1.57 CCCCOCC1COC1 34a_100000060846_100000210210 [1,0,0,1,0,0|1,0,1]=4 16103 B10R1.57 CCCCOCC1COC1 34a_100000210227_100010264016 [1,0,0,1,0,0|1,0,1]=4 16104 B10R1.57 CCCCOCC1COC1 7a_100000210227_100010264016 [1,0,0,1,0,0|1,0,1]=4 16105 B10R1.57 CCCCOCN1CCC1 269982a_100000754969_100011995733 [1,0,0,1,0,0|1,0,1]=4 16106 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [1,0,0,1,0,0|0,1,1]=4 16107 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [1,0,0,1,0,0|0,1,1]=4 16108 B10R1.57 CCOCCOC1CCC1 34a_100000210136_100000749161 [1,0,0,1,0,0|1,0,1]=4 16109 B10R1.57 CCOCCOC1CCC1 34a_100000748187_100000210147 [1,0,0,1,0,0|1,0,1]=4 16110 B10R1.57 CCSCCOC1CCC1 34a_100000212035_100000749161 [1,0,0,1,0,0|1,0,1]=4 16111 B10R1.57 CCSCCOC1CCC1 34a_100000748187_100000757381 [1,0,0,1,0,0|1,0,1]=4 16112 B10R1.57 CNCCCOC1CCC1 34a_100000213112_100000749161 [1,0,0,1,0,0|1,0,1]=4 16113 B10R1.57 COCCCOC1CCC1 34a_100000740835_100000749161 [1,0,0,1,0,0|1,0,1]=4 16114 B10R1.57 COCCCOC1CCC1 34a_100000748187_100000740836 [1,0,0,1,0,0|1,0,1]=4 16115 B10R1.57 COCCOCC1CCC1 34a_100000210237_100000763275 [1,0,0,1,0,0|1,0,1]=4 16116 B10R1.57 COCCOCC1CCC1 34a_100000760304_100011201679 [1,0,0,1,0,0|1,0,1]=4 16117 B10R1.57 CSCCCOC1CCC1 34a_100000690336_100000749161 [1,0,0,1,0,0|1,0,1]=4 16118 B10R1.57 CSCCOCC1CCC1 34a_100000230434_100000763275 [1,0,0,1,0,0|1,0,1]=4 16119 B10R1.57 CSCCOCC1CCC1 34a_100000760304_100000212216 [1,0,0,1,0,0|1,0,1]=4 16120 B10R1.57 CSCCOCC1CCC1 7a_100000230434_100000763275 [1,0,0,1,0,0|1,0,1]=4 16121 B10R1.57 ClCCCCOC1CCC1 34a_100000210776_100000749161 [1,0,0,1,0,0|1,0,1]=4 16122 B10R1.57 ClCCCOCC1CCC1 34a_100000230001_100000763275 [1,0,0,1,0,0|1,0,1]=4 16123 B10R1.57 FCCCCOC1CCC1 34a_100000748187_100000729493 [1,0,0,1,0,0|1,0,1]=4 16124 B10R1.57 FCCCCOC1CCC1 34a_100011995726_100000749161 [1,0,0,1,0,0|1,0,1]=4 16125 B10R1.57 FCCCOCC1CCC1 34a_100000759539_100000763275 [1,0,0,1,0,0|1,0,1]=4 16126 B10R1.57 FCCCOCC1CCC1 34a_100000760304_100011934791 [1,0,0,1,0,0|1,0,1]=4 16127 B10R1.57 ICCCCOC1CCC1 34a_200012148704_100000749161 [1,0,0,1,0,0|1,0,1]=4 16128 B10R1.57 NCCCCOC1CCC1 34a_100000750430_100000749161 [1,0,0,1,0,0|1,0,1]=4 16129 B10R1.57 NCCCOCC1CCC1 34a_100000182051_100000763275 [1,0,0,1,0,0|1,0,1]=4 16130 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [1,0,0,1,0,0|1,0,1]=4 16131 B10R1.57 OCCCOCC1CCC1 34a_100000760304_100000230001 [1,0,0,1,0,0|1,0,1]=4 16132 B10R1.161 CNC1CC/C=C\CCC1 34a_100102657272_100021000466 [1,0,0,1,0,0|2,0,0]=4 16133 B10R1.161 CNC1CC/C=C\CCC1 7a_106832991635_100021000466 [1,0,0,1,0,0|2,0,0]=4 16134 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [1,0,0,1,0,0|2,0,0]=4 16135 B10R1.161 COC1CC/C=C\CCC1 34a_100016989180_200000210301 [1,0,0,1,0,0|2,0,0]=4 16136 B10R1.161 COC1CC/C=C\CCC1 34a_100138415774_100021000466 [1,0,0,1,0,0|2,0,0]=4 16137 B10R1.161 CSC1CC/C=C\CCC1 62a_100021000466_200000210301 [1,0,0,1,0,0|2,0,0]=4 16138 B10R1.161 CSC1CC/C=C\CCC1 62a_200000210301_100021000466 [1,0,0,1,0,0|2,0,0]=4 16139 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [1,0,0,1,0,0|2,0,0]=4 16140 B10R1.161 [13CH3]OC1CC/C=C\CCC1 34a_100016989180_200025704644 [1,0,0,1,0,0|2,0,0]=4 16141 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_100021000466_200025704644 [1,0,0,1,0,0|2,0,0]=4 16142 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_200025704644_100021000466 [1,0,0,1,0,0|2,0,0]=4 16143 B10R1.177 BrCCCCOCC1CC1 34a_100011216708_100000742324 [1,0,0,1,0,0|1,0,1]=4 16144 B10R1.177 BrCCCOCCC1CC1 34a_100011217188_100000694398 [1,0,0,1,0,0|1,0,1]=4 16145 B10R1.177 CCC/C=C/COC1CC1 34a_100016278788_100000211595 [1,0,0,1,0,0|2,0,0]=4 16146 B10R1.177 CCCC=NNCC1CC1 4a_100000736359_100000185831 [1,0,0,1,0,0|2,0,0]=4 16147 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [1,0,0,1,0,0|2,0,0]=4 16148 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [1,0,0,1,0,0|2,0,0]=4 16149 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [1,0,0,1,0,0|2,0,0]=4 16150 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [1,0,0,1,0,0|1,0,1]=4 16151 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [1,0,0,1,0,0|1,0,1]=4 16152 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [1,0,0,1,0,0|1,0,1]=4 16153 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [1,0,0,1,0,0|1,0,1]=4 16154 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [1,0,0,1,0,0|0,0,1]=3 16155 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [1,0,0,1,0,0|0,0,1]=3 16156 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [1,0,0,1,0,0|0,0,1]=3 16157 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [1,0,0,1,0,0|1,0,1]=4 16158 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [1,0,0,1,0,0|1,0,1]=4 16159 B10R1.177 CCCCCOCC1CS1 7a_100000210253_100000031435 [1,0,0,1,0,0|1,0,1]=4 16160 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [1,0,0,1,0,0|1,0,1]=4 16161 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [1,0,0,1,0,0|1,0,1]=4 16162 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [1,0,0,1,0,0|0,1,1]=4 16163 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [1,0,0,1,0,0|0,1,1]=4 16164 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [1,0,0,1,0,0|1,0,1]=4 16165 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [1,0,0,1,0,0|1,0,1]=4 16166 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [1,0,0,1,0,0|1,0,1]=4 16167 B10R1.177 CCCCNN=CC1CC1 4a_100025702795_100000741477 [1,0,0,1,0,0|2,0,0]=4 16168 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [1,0,0,1,0,0|0,0,1]=3 16169 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [1,0,0,1,0,0|0,0,1]=3 16170 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [1,0,0,1,0,0|0,0,1]=3 16171 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [1,0,0,1,0,0|0,0,1]=3 16172 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [1,0,0,1,0,0|1,0,1]=4 16173 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [1,0,0,1,0,0|1,0,1]=4 16174 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [1,0,0,1,0,0|1,0,1]=4 16175 B10R1.177 CCCCOCNC1CC1 34a_100000212008_100011995733 [1,0,0,1,0,0|1,0,1]=4 16176 B10R1.177 CCCCOCSC1CC1 62a_100011995733_100000211595 [1,0,0,1,0,0|1,0,1]=4 16177 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [1,0,0,1,0,0|0,1,1]=4 16178 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [1,0,0,1,0,0|0,1,1]=4 16179 B10R1.177 CCOCCOCC1CC1 34a_100000210136_100000742324 [1,0,0,1,0,0|1,0,1]=4 16180 B10R1.177 CCOCCOCC1CC1 34a_100000211283_100000210147 [1,0,0,1,0,0|1,0,1]=4 16181 B10R1.177 CCOCCOCC1CC1 7a_100000210136_100000742324 [1,0,0,1,0,0|1,0,1]=4 16182 B10R1.177 CCSCCOCC1CC1 34a_100000211283_100000757381 [1,0,0,1,0,0|1,0,1]=4 16183 B10R1.177 CCSCCOCC1CC1 34a_100000212035_100000742324 [1,0,0,1,0,0|1,0,1]=4 16184 B10R1.177 CCSCCOCC1CC1 7a_100000212035_100000742324 [1,0,0,1,0,0|1,0,1]=4 16185 B10R1.177 CNCCCOCC1CC1 34a_100000213112_100000742324 [1,0,0,1,0,0|1,0,1]=4 16186 B10R1.177 COCCCOCC1CC1 34a_100000211283_100000740836 [1,0,0,1,0,0|1,0,1]=4 16187 B10R1.177 COCCCOCC1CC1 34a_100000740835_100000742324 [1,0,0,1,0,0|1,0,1]=4 16188 B10R1.177 COCCOCCC1CC1 34a_100000210237_100000694398 [1,0,0,1,0,0|1,0,1]=4 16189 B10R1.177 COCCOCCC1CC1 34a_100000754188_100011201679 [1,0,0,1,0,0|1,0,1]=4 16190 B10R1.177 COCCOCCC1CC1 7a_100000754188_100000233755 [1,0,0,1,0,0|1,0,1]=4 16191 B10R1.177 CSCCCOCC1CC1 34a_100000690336_100000742324 [1,0,0,1,0,0|1,0,1]=4 16192 B10R1.177 CSCCCOCC1CC1 7a_100000690336_100000742324 [1,0,0,1,0,0|1,0,1]=4 16193 B10R1.177 CSCCOCCC1CC1 34a_100000230434_100000694398 [1,0,0,1,0,0|1,0,1]=4 16194 B10R1.177 CSCCOCCC1CC1 34a_100000754188_100000212216 [1,0,0,1,0,0|1,0,1]=4 16195 B10R1.177 CSCCOCCC1CC1 7a_100000230434_100000764125 [1,0,0,1,0,0|1,0,1]=4 16196 B10R1.177 CSCCOCCC1CC1 7a_100000754188_100000212216 [1,0,0,1,0,0|1,0,1]=4 16197 B10R1.177 ClCCCCOCC1CC1 34a_100000210776_100000742324 [1,0,0,1,0,0|1,0,1]=4 16198 B10R1.177 ClCCCCOCC1CC1 7a_100000210776_100000742324 [1,0,0,1,0,0|1,0,1]=4 16199 B10R1.177 ClCCCOCCC1CC1 34a_100000230001_100000694398 [1,0,0,1,0,0|1,0,1]=4 16200 B10R1.177 FCCCCOCC1CC1 34a_100000211283_100000729493 [1,0,0,1,0,0|1,0,1]=4 16201 B10R1.177 FCCCCOCC1CC1 34a_100011995726_100000742324 [1,0,0,1,0,0|1,0,1]=4 16202 B10R1.177 FCCCCOCC1CC1 7a_100011995726_100000742324 [1,0,0,1,0,0|1,0,1]=4 16203 B10R1.177 FCCCOCCC1CC1 34a_100000754188_100011934791 [1,0,0,1,0,0|1,0,1]=4 16204 B10R1.177 FCCCOCCC1CC1 34a_100000759539_100000694398 [1,0,0,1,0,0|1,0,1]=4 16205 B10R1.177 FCCCOCCC1CC1 7a_100000754188_100011934791 [1,0,0,1,0,0|1,0,1]=4 16206 B10R1.177 ICCCCOCC1CC1 34a_200012148704_100000742324 [1,0,0,1,0,0|1,0,1]=4 16207 B10R1.177 NCCCCOCC1CC1 34a_100000750430_100000742324 [1,0,0,1,0,0|1,0,1]=4 16208 B10R1.177 NCCCOCCC1CC1 34a_100000182051_100000694398 [1,0,0,1,0,0|1,0,1]=4 16209 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [1,0,0,1,0,0|1,0,1]=4 16210 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [1,0,0,1,0,0|1,0,1]=4 16211 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [1,0,0,1,0,0|1,0,1]=4 16212 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [1,0,0,1,0,0|2,0,0]=4 16213 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [1,0,0,1,0,0|2,0,0]=4 16214 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [1,0,0,1,0,0|2,0,0]=4 16215 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [1,0,0,1,0,0|2,0,0]=4 16216 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [1,0,0,1,0,0|2,0,0]=4 16217 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [1,0,0,1,0,0|2,0,0]=4 16218 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [1,0,0,1,0,0|2,0,0]=4 16219 B10R1.2 CCN1CCNC(=O)C1C 2230a_100000750721_100000210202 [1,0,0,1,0,0|2,0,0]=4 16220 B10R1.2 CCN1CCNC(=O)C1C 269982a_100000750721_100000204670 [1,0,0,1,0,0|2,0,0]=4 16221 B10R1.2 CCN1CCNC(=O)C1C 34a_100000750721_100000210202 [1,0,0,1,0,0|2,0,0]=4 16222 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [1,0,0,1,0,0|1,0,1]=4 16223 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [1,0,0,1,0,0|1,0,0]=3 16224 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [1,0,0,1,0,0|1,0,0]=3 16225 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [1,0,0,1,0,0|2,0,0]=4 16226 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [1,0,0,1,0,0|2,0,0]=4 16227 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [1,0,0,1,0,0|2,0,0]=4 16228 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [1,0,0,1,0,0|2,0,0]=4 16229 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [1,0,0,1,0,0|2,0,0]=4 16230 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [1,0,0,1,0,0|2,0,0]=4 16231 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [1,0,0,1,0,0|2,0,0]=4 16232 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [1,0,0,1,0,0|2,0,0]=4 16233 B10R1.15 CCC(=O)N1CCOCC1 11a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 16234 B10R1.15 CCC(=O)N1CCOCC1 1626a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 16235 B10R1.15 CCC(=O)N1CCOCC1 240690a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 16236 B10R1.15 CCC(=O)N1CCOCC1 527a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 16237 B10R1.15 CCC(=O)N1CCSCC1 11a_100000737611_100000210414 [1,0,0,1,0,0|2,0,0]=4 16238 B10R1.15 CCC(=O)N1CCSCC1 240690a_100000737611_100000210414 [1,0,0,1,0,0|2,0,0]=4 16239 B10R1.15 CCC(=O)N1CCSCC1 527a_100000737611_100000210414 [1,0,0,1,0,0|2,0,0]=4 16240 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [1,0,0,1,0,0|2,0,0]=4 16241 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [1,0,0,1,0,0|2,0,0]=4 16242 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [1,0,0,1,0,0|2,0,0]=4 16243 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [1,0,0,1,0,0|2,0,0]=4 16244 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [1,0,0,1,0,0|2,0,0]=4 16245 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [1,0,0,1,0,0|2,0,0]=4 16246 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [1,0,0,1,0,0|2,0,0]=4 16247 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [1,0,0,1,0,0|2,0,0]=4 16248 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [1,0,0,1,0,0|2,0,0]=4 16249 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [1,0,0,1,0,0|2,0,0]=4 16250 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [1,0,0,1,0,0|2,0,0]=4 16251 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [1,0,0,1,0,0|2,0,0]=4 16252 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [1,0,0,1,0,0|2,0,0]=4 16253 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [1,0,0,1,0,0|2,0,0]=4 16254 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [1,0,0,1,0,0|2,0,0]=4 16255 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [1,0,0,1,0,0|2,0,0]=4 16256 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [1,0,0,1,0,0|2,0,0]=4 16257 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [1,0,0,1,0,0|2,0,0]=4 16258 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [1,0,0,1,0,0|2,0,0]=4 16259 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [1,0,0,1,0,0|2,0,0]=4 16260 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [1,0,0,1,0,0|2,0,0]=4 16261 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [1,0,0,1,0,0|2,0,0]=4 16262 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [1,0,0,1,0,0|2,0,0]=4 16263 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [1,0,0,1,0,0|1,0,1]=4 16264 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [1,0,0,1,0,0|1,0,0]=3 16265 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [1,0,0,1,0,0|1,0,0]=3 16266 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [1,0,0,1,0,0|2,0,0]=4 16267 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [1,0,0,1,0,0|2,0,0]=4 16268 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [1,0,0,1,0,0|2,0,0]=4 16269 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [1,0,0,1,0,0|2,0,0]=4 16270 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [1,0,0,1,0,0|2,0,0]=4 16271 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [1,0,0,1,0,0|1,0,0]=3 16272 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [1,0,0,1,0,0|1,0,0]=3 16273 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [1,0,0,1,0,0|1,0,0]=3 16274 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [1,0,0,1,0,0|1,0,0]=3 16275 B10R1.27 CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210414 [1,0,0,1,0,0|2,0,0]=4 16276 B10R1.27 CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210414 [1,0,0,1,0,0|2,0,0]=4 16277 B10R1.27 CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 16278 B10R1.27 CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 16279 B10R1.27 CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 16280 B10R1.27 CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 16281 B10R1.27 CCC(C)OC1CCCC1 34a_100000210269_100011215416 [1,0,0,1,0,0|1,0,1]=4 16282 B10R1.27 CCC(C)OC1CCCC1 7a_100000210228_100000179811 [1,0,0,1,0,0|1,0,1]=4 16283 B10R1.27 CCC(C)OC1CCCC1 7a_100000210269_100000758301 [1,0,0,1,0,0|1,0,1]=4 16284 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [1,0,0,1,0,0|2,0,0]=4 16285 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [1,0,0,1,0,0|2,0,0]=4 16286 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [1,0,0,1,0,0|2,0,0]=4 16287 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [1,0,0,1,0,0|2,0,0]=4 16288 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [1,0,0,1,0,0|2,0,0]=4 16289 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [1,0,0,1,0,0|2,0,0]=4 16290 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [1,0,0,1,0,0|2,0,0]=4 16291 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [1,0,0,1,0,0|2,0,0]=4 16292 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [1,0,0,1,0,0|2,0,0]=4 16293 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [1,0,0,1,0,0|2,0,0]=4 16294 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [1,0,0,1,0,0|2,0,0]=4 16295 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [1,0,0,1,0,0|2,0,0]=4 16296 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [1,0,0,1,0,0|2,0,0]=4 16297 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [1,0,0,1,0,0|2,0,0]=4 16298 B10R1.70 CCCCCOC1(CC1)C 7a_100011725673_100000210326 [1,0,0,1,0,0|1,0,1]=4 16299 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [1,0,0,1,0,0|2,0,0]=4 16300 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [1,0,0,1,0,0|1,0,0]=3 16301 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [1,0,0,1,0,0|1,0,0]=3 16302 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [1,0,0,1,0,0|1,0,0]=3 16303 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [1,0,0,1,0,0|1,0,0]=3 16304 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [1,0,0,1,0,0|1,0,0]=3 16305 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [1,0,0,1,0,0|1,0,0]=3 16306 B10R1.149 CCC(=O)N1CCSC1C 11a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 16307 B10R1.149 CCC(=O)N1CCSC1C 1626a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 16308 B10R1.149 CCC(=O)N1CCSC1C 240690a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 16309 B10R1.149 CCC(=O)N1CCSC1C 527a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 16310 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [1,0,0,1,0,0|2,0,0]=4 16311 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [1,0,0,1,0,0|2,0,0]=4 16312 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [1,0,0,1,0,0|2,0,0]=4 16313 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [1,0,0,1,0,0|2,0,0]=4 16314 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [1,0,0,1,0,0|2,0,0]=4 16315 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [1,0,0,1,0,0|2,0,0]=4 16316 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [1,0,0,1,0,0|2,0,0]=4 16317 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [1,0,0,1,0,0|2,0,0]=4 16318 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [1,0,0,1,0,0|2,0,0]=4 16319 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [1,0,0,1,0,0|2,0,0]=4 16320 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [1,0,0,1,0,0|2,0,0]=4 16321 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [1,0,0,1,0,0|2,0,0]=4 16322 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [1,0,0,1,0,0|2,0,0]=4 16323 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [1,0,0,1,0,0|2,0,0]=4 16324 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [1,0,0,1,0,0|2,0,0]=4 16325 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [1,0,0,1,0,0|1,0,0]=3 16326 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [1,0,0,1,0,0|1,0,0]=3 16327 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [1,0,0,1,0,0|1,0,0]=3 16328 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [1,0,0,1,0,0|1,0,0]=3 16329 B10R1.151 CCC(=O)NCC1COC1 11a_100015281925_100000210414 [1,0,0,1,0,0|2,0,0]=4 16330 B10R1.151 CCC(=O)NCC1COC1 1626a_100015281925_100000210414 [1,0,0,1,0,0|2,0,0]=4 16331 B10R1.151 CCC(=O)NCC1COC1 240690a_100015281925_100000210414 [1,0,0,1,0,0|2,0,0]=4 16332 B10R1.151 CCC(=O)NCC1COC1 527a_100015281925_100000210414 [1,0,0,1,0,0|2,0,0]=4 16333 B10R1.151 CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 16334 B10R1.151 CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 16335 B10R1.151 CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 16336 B10R1.151 CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 16337 B10R1.151 CCC(=O)NNC1CCC1 22a_100000736358_100000210414 [1,0,0,1,0,0|2,0,0]=4 16338 B10R1.151 CCC(C)OCC1CCC1 34a_100000760304_100011215416 [1,0,0,1,0,0|1,0,1]=4 16339 B10R1.151 CCC(C)OCC1CCC1 7a_100000210228_100000763275 [1,0,0,1,0,0|1,0,1]=4 16340 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [1,0,0,1,0,0|2,0,0]=4 16341 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [1,0,0,1,0,0|2,0,0]=4 16342 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [1,0,0,1,0,0|2,0,0]=4 16343 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [1,0,0,1,0,0|2,0,0]=4 16344 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [1,0,0,1,0,0|2,0,0]=4 16345 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [1,0,0,1,0,0|2,0,0]=4 16346 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [1,0,0,1,0,0|2,0,0]=4 16347 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [1,0,0,1,0,0|2,0,0]=4 16348 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [1,0,0,1,0,0|2,0,0]=4 16349 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [1,0,0,1,0,0|2,0,0]=4 16350 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [1,0,0,1,0,0|2,0,0]=4 16351 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [1,0,0,1,0,0|2,0,0]=4 16352 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [1,0,0,1,0,0|2,0,0]=4 16353 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [1,0,0,1,0,0|1,0,0]=3 16354 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [1,0,0,1,0,0|1,0,0]=3 16355 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [1,0,0,1,0,0|1,0,0]=3 16356 B10R1.153 CCC(=O)NNCC1CC1 22a_100000736359_100000210414 [1,0,0,1,0,0|2,0,0]=4 16357 B10R1.153 CCC(C)OCCC1CC1 34a_100000754188_100011215416 [1,0,0,1,0,0|1,0,1]=4 16358 B10R1.153 CCC(C)OCCC1CC1 7a_100000210228_100000764125 [1,0,0,1,0,0|1,0,1]=4 16359 B10R1.153 CCC(C)OCCC1CC1 7a_100000754188_100000758301 [1,0,0,1,0,0|1,0,1]=4 16360 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [1,0,0,1,0,0|2,0,0]=4 16361 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [1,0,0,1,0,0|2,0,0]=4 16362 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [1,0,0,1,0,0|2,0,0]=4 16363 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [1,0,0,1,0,0|2,0,0]=4 16364 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [1,0,0,1,0,0|2,0,0]=4 16365 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [1,0,0,1,0,0|2,0,0]=4 16366 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [1,0,0,1,0,0|2,0,0]=4 16367 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [1,0,0,1,0,0|2,0,0]=4 16368 B10R1.206 CCC(C)OCC1CC1C 34a_100000744939_100011215416 [1,0,0,1,0,0|1,0,1]=4 16369 B10R1.206 CCC(C)OCC1CC1C 7a_100000744939_100000758301 [1,0,0,1,0,0|1,0,1]=4 16370 B10R1.463 CCC(=O)CN1CCC1C 269982a_100000755817_100000747405 [1,0,0,1,0,0|2,0,0]=4 16371 B12R1.7 CCCCCOC1CCC(C1)C 34a_100000698185_100000718602 [0,1,0,1,0,0|1,0,1]=4 16372 B12R1.7 CCCCCOC1CCN(C1)C 7a_100000210253_200012183744 [0,1,0,1,0,0|1,0,1]=4 16373 B12R1.107 C=C(C)CC(=O)C1CCCCC1 1458a_100000210647_100000748629 [0,1,0,1,0,0|1,0,1]=4 16374 B12R1.107 CC(=O)CC(=O)C1CCCCC1 1458a_100000070787_100000241979 [0,1,0,1,0,0|1,0,1]=4 16375 B12R1.107 CC(=O)CC(=O)N1CCCCC1 1458a_100000070787_100000183409 [0,1,0,1,0,0|1,0,1]=4 16376 B12R1.107 CC(C)CC(=O)C1=CCCCC1 1458a_100000765259_100000210624 [0,1,0,1,0,0|1,0,1]=4 16377 B12R1.107 CC(C)CC(=O)C1CCCCC1 1458a_100000210554_100000210327 [0,1,0,1,0,0|1,0,0]=3 16378 B12R1.107 CC(C)CC(=O)C1CCCCC1 1458a_100000210647_100000210624 [0,1,0,1,0,0|1,0,0]=3 16379 B12R1.107 CC(C)CC(=O)C1CCCCO1 1458a_100000748299_100000210624 [0,1,0,1,0,0|2,0,0]=4 16380 B12R1.107 CC(C)CC(=O)C1CCCOC1 1458a_100000210554_100000693364 [0,1,0,1,0,0|2,0,0]=4 16381 B12R1.107 CC(C)CC(=O)C1CCCOC1 1458a_100000741522_100000210624 [0,1,0,1,0,0|2,0,0]=4 16382 B12R1.107 CC(C)CC(=O)C1CCOCC1 1458a_100000195482_100000210624 [0,1,0,1,0,0|2,0,0]=4 16383 B12R1.107 CC(C)CC(=O)C1CCOCC1 1458a_100000210554_100011324220 [0,1,0,1,0,0|2,0,0]=4 16384 B12R1.107 CC(C)CC(=O)C1CCSCC1 1458a_100000755232_100000210624 [0,1,0,1,0,0|2,0,0]=4 16385 B12R1.107 CC(C)CC(=O)N1CCCOC1 11a_100000131196_100000210554 [0,1,0,1,0,0|2,0,0]=4 16386 B12R1.107 CC(C)CC(=O)N1CCCOC1 240690a_100000131196_100000210554 [0,1,0,1,0,0|2,0,0]=4 16387 B12R1.107 CC(C)CC(=O)N1CCOCC1 11a_100015191051_100000210554 [0,1,0,1,0,0|2,0,0]=4 16388 B12R1.107 CC(C)CC(=O)N1CCOCC1 1626a_100015191051_100000210554 [0,1,0,1,0,0|2,0,0]=4 16389 B12R1.107 CC(C)CC(=O)N1CCOCC1 240690a_100015191051_100000210554 [0,1,0,1,0,0|2,0,0]=4 16390 B12R1.107 CC(C)CC(=O)N1CCOCC1 527a_100015191051_100000210554 [0,1,0,1,0,0|2,0,0]=4 16391 B12R1.107 CC(C)CC(=O)N1CCSCC1 11a_100000737611_100000210554 [0,1,0,1,0,0|2,0,0]=4 16392 B12R1.107 CC(C)CC(=O)N1CCSCC1 240690a_100000737611_100000210554 [0,1,0,1,0,0|2,0,0]=4 16393 B12R1.107 CC(C)CC(=O)N1CCSCC1 527a_100000737611_100000210554 [0,1,0,1,0,0|2,0,0]=4 16394 B12R1.107 CC(C)NC(=O)C1CCCCC1 11a_100138425928_100000210647 [0,1,0,1,0,0|2,0,0]=4 16395 B12R1.107 CC(C)NC(=O)C1CCCCC1 1626a_100138425928_100000210647 [0,1,0,1,0,0|2,0,0]=4 16396 B12R1.107 CC(C)NC(=O)C1CCCCC1 240690a_100138425928_100000210647 [0,1,0,1,0,0|2,0,0]=4 16397 B12R1.107 CC(C)NC(=O)C1CCCCC1 527a_100138425928_100000210647 [0,1,0,1,0,0|2,0,0]=4 16398 B12R1.107 CC(O)CC(=O)C1=CCCCC1 1458a_100000765259_100011218427 [0,1,0,1,0,0|1,0,1]=4 16399 B12R1.107 CC(O)CC(=O)C1CCCCC1 1458a_100000210647_100011218427 [0,1,0,1,0,0|1,0,0]=3 16400 B12R1.107 CC(O)CC(=O)C1CCCCO1 1458a_100000748299_100011218427 [0,1,0,1,0,0|2,0,0]=4 16401 B12R1.107 CC(O)CC(=O)C1CCCOC1 1458a_100000741522_100011218427 [0,1,0,1,0,0|2,0,0]=4 16402 B12R1.107 CC(O)CC(=O)C1CCOCC1 1458a_100000195482_100011218427 [0,1,0,1,0,0|2,0,0]=4 16403 B12R1.107 CC(O)CC(=O)C1CCSCC1 1458a_100000755232_100011218427 [0,1,0,1,0,0|2,0,0]=4 16404 B12R1.107 CN(C)CC(=O)C1CCCCC1 1458a_100000750896_100000210327 [0,1,0,1,0,0|2,0,0]=4 16405 B12R1.107 CN(C)CC(=O)C1CCCCC1 2230a_100102631434_100000241979 [0,1,0,1,0,0|2,0,0]=4 16406 B12R1.107 CN(C)CC(=O)C1CCCCC1 269982a_100102631434_100000241979 [0,1,0,1,0,0|2,0,0]=4 16407 B12R1.107 CN(C)CC(=O)N1CCCCC1 2230a_100102631434_100000183409 [0,1,0,1,0,0|2,0,0]=4 16408 B12R1.107 CN(C)CC(=O)N1CCCCC1 2230a_200025747655_200000210301 [0,1,0,1,0,0|2,0,0]=4 16409 B12R1.107 CN(C)CC(=O)N1CCCCC1 269982a_100102631434_100000183409 [0,1,0,1,0,0|2,0,0]=4 16410 B12R1.107 CN(C)CC(=O)N1CCCCC1 269982a_200025747655_200000210301 [0,1,0,1,0,0|2,0,0]=4 16411 B12R1.107 CN([13CH3])CC(=O)N1CCCCC1 2230a_200025747655_200025704644 [0,1,0,1,0,0|2,0,0]=4 16412 B12R1.107 CN([13CH3])CC(=O)N1CCCCC1 269982a_200025747655_200025704644 [0,1,0,1,0,0|2,0,0]=4 16413 B12R1.107 C[C@@H](O)CC(=O)C1CCCCC1 1458a_100011933948_100000210327 [0,1,0,1,0,0|1,0,0]=3 16414 B12R1.107 C[C@@H](O)CC(=O)C1CCCOC1 1458a_100011933948_100000693364 [0,1,0,1,0,0|2,0,0]=4 16415 B12R1.107 C[C@@H](O)CC(=O)C1CCOCC1 1458a_100011933948_100011324220 [0,1,0,1,0,0|2,0,0]=4 16416 B12R1.107 C[C@@H](O)CC(=O)N1CCCOC1 240690a_100000131196_100011933948 [0,1,0,1,0,0|2,0,0]=4 16417 B12R1.107 C[C@@H](O)CC(=O)N1CCOCC1 240690a_100015191051_100011933948 [0,1,0,1,0,0|2,0,0]=4 16418 B12R1.107 C[C@@H](O)CC(=O)N1CCSCC1 240690a_100000737611_100011933948 [0,1,0,1,0,0|2,0,0]=4 16419 B12R1.107 C[S+](C)CC(=O)C1CCCCC1 1458a_200159257847_100000210327 [0,1,0,1,0,0|2,0,0]=4 16420 B12R1.107 O=C(CC(F)F)C1CCCCC1 1458a_100000210647_100011934356 [0,1,0,1,0,0|2,0,0]=4 16421 B12R1.142 CC(C)CC(C)OCC1CC1C 34a_100000744939_100000731052 [0,1,0,1,0,0|1,0,1]=4 16422 B12R1.142 CC(C)CC(C)OCC1CC1C 7a_100000744939_100000731052 [0,1,0,1,0,0|1,0,1]=4 16423 B12R1.144 C=C(C)CC(=O)C1CCCC1C 1458a_100000690547_100000748629 [0,1,0,1,0,0|1,0,1]=4 16424 B12R1.144 CC(C)CC(=O)C1CCCC1C 1458a_100000690547_100000210624 [0,1,0,1,0,0|1,0,0]=3 16425 B12R1.144 CC(C)CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210554 [0,1,0,1,0,0|1,0,0]=3 16426 B12R1.144 CC(C)CC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210554 [0,1,0,1,0,0|1,0,0]=3 16427 B12R1.144 CC(C)CC(=O)N1CCC[C@H]1C 11a_100015189458_100000210554 [0,1,0,1,0,0|1,0,0]=3 16428 B12R1.144 CC(C)CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210554 [0,1,0,1,0,0|1,0,0]=3 16429 B12R1.144 CC(C)CC(=O)N1CCC[C@H]1C 527a_100015189458_100000210554 [0,1,0,1,0,0|1,0,0]=3 16430 B12R1.144 CC(C)CC(=O)N1CCSC1C 11a_200011216479_100000210554 [0,1,0,1,0,0|2,0,0]=4 16431 B12R1.144 CC(C)CC(=O)N1CCSC1C 1626a_200011216479_100000210554 [0,1,0,1,0,0|2,0,0]=4 16432 B12R1.144 CC(C)CC(=O)N1CCSC1C 240690a_200011216479_100000210554 [0,1,0,1,0,0|2,0,0]=4 16433 B12R1.144 CC(C)CC(=O)N1CCSC1C 527a_200011216479_100000210554 [0,1,0,1,0,0|2,0,0]=4 16434 B12R1.144 CC(C)CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210624 [0,1,0,1,0,0|2,0,0]=4 16435 B12R1.144 CC(C)NC(=O)C1CCCC1C 11a_100138425928_100000690547 [0,1,0,1,0,0|2,0,0]=4 16436 B12R1.144 CC(C)NC(=O)C1CCCC1C 1626a_100138425928_100000690547 [0,1,0,1,0,0|2,0,0]=4 16437 B12R1.144 CC(C)NC(=O)C1CCCC1C 240690a_100138425928_100000690547 [0,1,0,1,0,0|2,0,0]=4 16438 B12R1.144 CC(C)NC(=O)C1CCCC1C 527a_100138425928_100000690547 [0,1,0,1,0,0|2,0,0]=4 16439 B12R1.144 CC(C)NC(=O)N1CCC[C@@H]1C 2708a_100138425928_100020605311 [0,1,0,1,0,0|2,0,0]=4 16440 B12R1.144 CC(C)NC(=O)N1CCC[C@@H]1C 273464a_100138425928_100020605311 [0,1,0,1,0,0|2,0,0]=4 16441 B12R1.144 CC(C)NC(=O)N1CCC[C@H]1C 2708a_100138425928_100015189458 [0,1,0,1,0,0|2,0,0]=4 16442 B12R1.144 CC(C)NC(=O)N1CCC[C@H]1C 273464a_100138425928_100015189458 [0,1,0,1,0,0|2,0,0]=4 16443 B12R1.144 CC(O)CC(=O)C1CCCC1C 1458a_100000690547_100011218427 [0,1,0,1,0,0|1,0,0]=3 16444 B12R1.144 CC(O)CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100011218427 [0,1,0,1,0,0|2,0,0]=4 16445 B12R1.144 CC1CCCC1C(=O)CC(F)F 1458a_100000690547_100011934356 [0,1,0,1,0,0|2,0,0]=4 16446 B12R1.144 CC1SCCN1C(=O)C[C@@H](C)O 240690a_200011216479_100011933948 [0,1,0,1,0,0|2,0,0]=4 16447 B12R1.144 C[C@@H](O)CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100011933948 [0,1,0,1,0,0|1,0,0]=3 16448 B12R1.144 C[C@@H]1CCCN1C(=O)CN(C)C 11a_100015189458_100000750896 [0,1,0,1,0,0|2,0,0]=4 16449 B12R1.144 C[C@@H]1CCCN1C(=O)CN(C)C 240690a_100015189458_100000750896 [0,1,0,1,0,0|2,0,0]=4 16450 B12R1.144 C[C@@H]1CCCN1C(=O)CN(C)C 527a_100015189458_100000750896 [0,1,0,1,0,0|2,0,0]=4 16451 B12R1.144 C[C@@H]1CCCN1C(=O)C[C@@H](C)O 240690a_100015189458_100011933948 [0,1,0,1,0,0|1,0,0]=3 16452 B12R1.144 C[C@@H]1CCCN1C(=O)C[S+](C)C 11a_100015189458_200159257847 [0,1,0,1,0,0|2,0,0]=4 16453 B12R1.144 C[C@@H]1CCCN1C(=O)C[S+](C)C 240690a_100015189458_200159257847 [0,1,0,1,0,0|2,0,0]=4 16454 B12R1.144 C[C@@H]1CCCN1C(=O)C[S+](C)C 527a_100015189458_200159257847 [0,1,0,1,0,0|2,0,0]=4 16455 B12R1.144 C[C@H]1CCCN1C(=O)CN(C)C 240690a_100020605311_100000750896 [0,1,0,1,0,0|2,0,0]=4 16456 B12R1.144 C[C@H]1CCCN1C(=O)CN(C)C 527a_100020605311_100000750896 [0,1,0,1,0,0|2,0,0]=4 16457 B12R1.144 C[C@H]1CCCN1C(=O)C[S+](C)C 240690a_100020605311_200159257847 [0,1,0,1,0,0|2,0,0]=4 16458 B12R1.144 C[C@H]1CCCN1C(=O)C[S+](C)C 527a_100020605311_200159257847 [0,1,0,1,0,0|2,0,0]=4 16459 B12R1.260 C=C(C)CC(=O)CC1CCCC1 1458a_100000210891_100000748629 [0,1,0,1,0,0|1,0,1]=4 16460 B12R1.260 CC(=O)CC(=O)NC1CCCC1 1458a_100000070787_100000183512 [0,1,0,1,0,0|1,0,1]=4 16461 B12R1.260 CC(C)CC(=O)C=C1CCCC1 1458a_100000743260_100000210624 [0,1,0,1,0,0|1,0,1]=4 16462 B12R1.260 CC(C)CC(=O)CC1CCCC1 1458a_100000210554_100000740388 [0,1,0,1,0,0|1,0,0]=3 16463 B12R1.260 CC(C)CC(=O)CC1CCCC1 1458a_100000210891_100000210624 [0,1,0,1,0,0|1,0,0]=3 16464 B12R1.260 CC(C)CC(=O)CC1CCCO1 1458a_100000210554_100000203698 [0,1,0,1,0,0|2,0,0]=4 16465 B12R1.260 CC(C)CC(=O)CC1CCOC1 1458a_100000210554_100000702531 [0,1,0,1,0,0|2,0,0]=4 16466 B12R1.260 CC(C)CC(=O)CC1CCOC1 1458a_100011218419_100000210624 [0,1,0,1,0,0|2,0,0]=4 16467 B12R1.260 CC(C)CC(=O)CN1CCCC1 1458a_100000740243_100000210624 [0,1,0,1,0,0|2,0,0]=4 16468 B12R1.260 CC(C)CC(=O)NC1CCCC1 11a_100000211070_100000210554 [0,1,0,1,0,0|1,0,0]=3 16469 B12R1.260 CC(C)CC(=O)NC1CCCC1 1626a_100000211070_100000210554 [0,1,0,1,0,0|1,0,0]=3 16470 B12R1.260 CC(C)CC(=O)NC1CCCC1 240690a_100000211070_100000210554 [0,1,0,1,0,0|1,0,0]=3 16471 B12R1.260 CC(C)CC(=O)NC1CCCC1 527a_100000211070_100000210554 [0,1,0,1,0,0|1,0,0]=3 16472 B12R1.260 CC(C)CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210554 [0,1,0,1,0,0|2,0,0]=4 16473 B12R1.260 CC(C)CC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210554 [0,1,0,1,0,0|2,0,0]=4 16474 B12R1.260 CC(C)CC(=O)N[C@H]1CCOC1 11a_100015188467_100000210554 [0,1,0,1,0,0|2,0,0]=4 16475 B12R1.260 CC(C)CC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210554 [0,1,0,1,0,0|2,0,0]=4 16476 B12R1.260 CC(C)CC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210554 [0,1,0,1,0,0|2,0,0]=4 16477 B12R1.260 CC(C)CC(=O)N[C@H]1CCOC1 527a_100015188467_100000210554 [0,1,0,1,0,0|2,0,0]=4 16478 B12R1.260 CC(C)CC(C)OC1CCCC1 34a_100000210269_100000731052 [0,1,0,1,0,0|1,0,1]=4 16479 B12R1.260 CC(C)CC(C)OC1CCCC1 34a_100000211805_100000179811 [0,1,0,1,0,0|1,0,1]=4 16480 B12R1.260 CC(C)CC(C)OC1CCCC1 7a_100000210269_100000731052 [0,1,0,1,0,0|1,0,1]=4 16481 B12R1.260 CC(C)CC(C)OC1CCCC1 7a_100000211805_100000179811 [0,1,0,1,0,0|1,0,1]=4 16482 B12R1.260 CC(C)NC(=O)CC1CCCC1 11a_100138425928_100000210891 [0,1,0,1,0,0|2,0,0]=4 16483 B12R1.260 CC(C)NC(=O)CC1CCCC1 1626a_100138425928_100000210891 [0,1,0,1,0,0|2,0,0]=4 16484 B12R1.260 CC(C)NC(=O)CC1CCCC1 240690a_100138425928_100000210891 [0,1,0,1,0,0|2,0,0]=4 16485 B12R1.260 CC(C)NC(=O)CC1CCCC1 527a_100138425928_100000210891 [0,1,0,1,0,0|2,0,0]=4 16486 B12R1.260 CC(C)NC(=O)NC1CCCC1 2708a_100000211070_100138425928 [0,1,0,1,0,0|2,0,0]=4 16487 B12R1.260 CC(C)NC(=O)NC1CCCC1 2708a_100138425928_100000211070 [0,1,0,1,0,0|2,0,0]=4 16488 B12R1.260 CC(C)NC(=O)NC1CCCC1 273464a_100138425928_100000211070 [0,1,0,1,0,0|2,0,0]=4 16489 B12R1.260 CC(C)NC(=O)NC1CCCC1 512a_100000211070_100138425928 [0,1,0,1,0,0|2,0,0]=4 16490 B12R1.260 CC(C)NC(=O)NC1CCCC1 512a_100138425928_100000211070 [0,1,0,1,0,0|2,0,0]=4 16491 B12R1.260 CC(O)CC(=O)C=C1CCCC1 1458a_100000743260_100011218427 [0,1,0,1,0,0|1,0,1]=4 16492 B12R1.260 CC(O)CC(=O)CC1CCCC1 1458a_100000210891_100011218427 [0,1,0,1,0,0|1,0,0]=3 16493 B12R1.260 CC(O)CC(=O)CC1CCOC1 1458a_100011218419_100011218427 [0,1,0,1,0,0|2,0,0]=4 16494 B12R1.260 CC(O)CC(=O)CN1CCCC1 1458a_100000740243_100011218427 [0,1,0,1,0,0|2,0,0]=4 16495 B12R1.260 CN(C)CC(=O)CC1CCCC1 1458a_100000750896_100000740388 [0,1,0,1,0,0|2,0,0]=4 16496 B12R1.260 CN(C)CC(=O)NC1CCCC1 11a_100000211070_100000750896 [0,1,0,1,0,0|2,0,0]=4 16497 B12R1.260 CN(C)CC(=O)NC1CCCC1 2230a_100102631434_100000183512 [0,1,0,1,0,0|2,0,0]=4 16498 B12R1.260 CN(C)CC(=O)NC1CCCC1 240690a_100000211070_100000750896 [0,1,0,1,0,0|2,0,0]=4 16499 B12R1.260 CN(C)CC(=O)NC1CCCC1 269982a_100102631434_100000183512 [0,1,0,1,0,0|2,0,0]=4 16500 B12R1.260 CN(C)CC(=O)NC1CCCC1 527a_100000211070_100000750896 [0,1,0,1,0,0|2,0,0]=4 16501 B12R1.260 C[C@@H](O)CC(=O)CC1CCCC1 1458a_100011933948_100000740388 [0,1,0,1,0,0|1,0,0]=3 16502 B12R1.260 C[C@@H](O)CC(=O)CC1CCCO1 1458a_100011933948_100000203698 [0,1,0,1,0,0|2,0,0]=4 16503 B12R1.260 C[C@@H](O)CC(=O)CC1CCOC1 1458a_100011933948_100000702531 [0,1,0,1,0,0|2,0,0]=4 16504 B12R1.260 C[C@@H](O)CC(=O)NC1CCCC1 240690a_100000211070_100011933948 [0,1,0,1,0,0|1,0,0]=3 16505 B12R1.260 C[C@@H](O)CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100011933948 [0,1,0,1,0,0|2,0,0]=4 16506 B12R1.260 C[C@@H](O)CC(=O)N[C@H]1CCOC1 240690a_100015188467_100011933948 [0,1,0,1,0,0|2,0,0]=4 16507 B12R1.260 C[S+](C)CC(=O)CC1CCCC1 1458a_200159257847_100000740388 [0,1,0,1,0,0|2,0,0]=4 16508 B12R1.260 C[S+](C)CC(=O)NC1CCCC1 11a_100000211070_200159257847 [0,1,0,1,0,0|2,0,0]=4 16509 B12R1.260 C[S+](C)CC(=O)NC1CCCC1 1626a_100000211070_200159257847 [0,1,0,1,0,0|2,0,0]=4 16510 B12R1.260 C[S+](C)CC(=O)NC1CCCC1 240690a_100000211070_200159257847 [0,1,0,1,0,0|2,0,0]=4 16511 B12R1.260 C[S+](C)CC(=O)NC1CCCC1 527a_100000211070_200159257847 [0,1,0,1,0,0|2,0,0]=4 16512 B12R1.260 O=C(CC(F)F)CC1CCCC1 1458a_100000210891_100011934356 [0,1,0,1,0,0|2,0,0]=4 16513 B12R1.437 CCN1CCNC(=O)C1C(C)C 2230a_100000751287_100000210202 [0,1,0,1,0,0|2,0,0]=4 16514 B12R1.437 CCN1CCNC(=O)C1C(C)C 269982a_100000751287_100000204670 [0,1,0,1,0,0|2,0,0]=4 16515 B12R1.437 CCN1CCNC(=O)C1C(C)C 34a_100000751287_100000210202 [0,1,0,1,0,0|2,0,0]=4 16516 B12R1.563 CCCCC=CC(=O)CC1CC1 1458a_100016266645_100000742324 [0,1,0,1,0,0|1,0,1]=4 16517 B12R1.563 CCCCC=CC(=O)CC1CO1 1458a_100016266645_100011216344 [0,1,0,1,0,0|1,0,1]=4 16518 B12R1.563 CCCCC=CC(=O)CC1CS1 1458a_100016266645_100000031435 [0,1,0,1,0,0|1,0,1]=4 16519 B12R1.563 CCCCC=CC(=O)C[C@@H]1CO1 1458a_100016266645_100000745022 [0,1,0,1,0,0|1,0,1]=4 16520 B12R1.563 CCCCC=CC(=O)NC1CC1 1626a_100000212008_100016266645 [0,1,0,1,0,0|1,0,1]=4 16521 B12R1.563 CCCCC=CC(=O)NC1CC1 240690a_100000212008_100016266645 [0,1,0,1,0,0|1,0,1]=4 16522 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100000738066_100000210757 [0,1,0,1,0,0|1,0,0]=3 16523 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100102632555_100000742324 [0,1,0,1,0,0|1,0,0]=3 16524 B12R1.563 CCCCCCC(=O)CC1CO1 1458a_100102632555_100011216344 [0,1,0,1,0,0|1,0,0]=3 16525 B12R1.563 CCCCCCC(=O)CC1CS1 1458a_100102632555_100000031435 [0,1,0,1,0,0|1,0,0]=3 16526 B12R1.563 CCCCCCC(=O)C[C@@H]1CO1 1458a_100102632555_100000745022 [0,1,0,1,0,0|1,0,0]=3 16527 B12R1.563 CCCCCCC(=O)NC1CC1 1626a_100000212008_100102632555 [0,1,0,1,0,0|1,0,0]=3 16528 B12R1.563 CCCCCCC(=O)NC1CC1 240690a_100000212008_100102632555 [0,1,0,1,0,0|1,0,0]=3 16529 B12R1.563 CCCCCCC(=O)NC1CC1 527a_100000212008_100102632555 [0,1,0,1,0,0|1,0,0]=3 16530 B12R1.563 CCCCCNC(=O)CC1CC1 11a_100000209983_100000738066 [0,1,0,1,0,0|1,0,0]=3 16531 B12R1.563 CCCCCNC(=O)CC1CC1 1626a_100000209983_100000738066 [0,1,0,1,0,0|1,0,0]=3 16532 B12R1.563 CCCCCNC(=O)CC1CC1 240690a_100000209983_100000738066 [0,1,0,1,0,0|1,0,0]=3 16533 B12R1.563 CCCCCNC(=O)CC1CC1 527a_100000209983_100000738066 [0,1,0,1,0,0|1,0,0]=3 16534 B12R1.563 CCCCCNC(=O)NC1CC1 2708a_100000209983_100000212008 [0,1,0,1,0,0|1,0,0]=3 16535 B12R1.563 CCCCCNC(=O)NC1CC1 2708a_100000212008_100000209983 [0,1,0,1,0,0|1,0,0]=3 16536 B12R1.563 CCCCCNC(=O)NC1CC1 273464a_100000209983_100000212008 [0,1,0,1,0,0|1,0,0]=3 16537 B12R1.563 CCCCCNC(=O)NC1CC1 273464a_100000212008_100000209983 [0,1,0,1,0,0|1,0,0]=3 16538 B12R1.563 CCCCCNC(=O)NC1CC1 512a_100000212008_100000209983 [0,1,0,1,0,0|1,0,0]=3 16539 B12R1.563 CCCCNCC(=O)NC1CC1 2230a_100000102301_100000182950 [0,1,0,1,0,0|2,0,0]=4 16540 B12R1.563 CCCCNCC(=O)NC1CC1 2230a_100000702991_100000210211 [0,1,0,1,0,0|2,0,0]=4 16541 B12R1.563 CCCCNCC(=O)NC1CC1 7a_106832991798_100000182950 [0,1,0,1,0,0|2,0,0]=4 16542 B12R1.563 CCCCNNC(=O)CC1CC1 22a_100025702795_100000738066 [0,1,0,1,0,0|2,0,0]=4 16543 B12R1.563 CCCCNNC(=O)NC1CC1 273464a_100000212008_100025702795 [0,1,0,1,0,0|2,0,0]=4 16544 B12R1.563 CCCCNNC(=O)NC1CC1 512a_100000212008_100025702795 [0,1,0,1,0,0|2,0,0]=4 16545 B12R1.563 CCCCOCC(=O)CC1CC1 1458a_100000738066_100011995733 [0,1,0,1,0,0|2,0,0]=4 16546 B12R1.563 CCCCOCC(=O)CC1CC1 1458a_100000757543_100000742324 [0,1,0,1,0,0|2,0,0]=4 16547 B12R1.563 CCCCOCC(=O)CC1CO1 1458a_100000757543_100011216344 [0,1,0,1,0,0|2,0,0]=4 16548 B12R1.563 CCCCOCC(=O)CC1CS1 1458a_100000757543_100000031435 [0,1,0,1,0,0|2,0,0]=4 16549 B12R1.563 CCCCOCC(=O)C[C@@H]1CO1 1458a_100000757543_100000745022 [0,1,0,1,0,0|2,0,0]=4 16550 B12R1.563 CCCCOCC(=O)NC1CC1 1626a_100000212008_100000757543 [0,1,0,1,0,0|2,0,0]=4 16551 B12R1.563 CCCCOCC(=O)NC1CC1 240690a_100000212008_100000757543 [0,1,0,1,0,0|2,0,0]=4 16552 B12R1.563 CCCCOCC(=O)NC1CC1 34a_100000210227_100000182950 [0,1,0,1,0,0|2,0,0]=4 16553 B12R1.563 CCCCOCC(=O)NC1CC1 527a_100000212008_100000757543 [0,1,0,1,0,0|2,0,0]=4 16554 B12R1.563 CCCCOCC(=O)NC1CC1 7a_100000210227_100000182950 [0,1,0,1,0,0|2,0,0]=4 16555 B12R1.563 CCCCSCC(=O)CC1CC1 1458a_100000191162_100000742324 [0,1,0,1,0,0|2,0,0]=4 16556 B12R1.563 CCCCSCC(=O)CC1CO1 1458a_100000191162_100011216344 [0,1,0,1,0,0|2,0,0]=4 16557 B12R1.563 CCCCSCC(=O)CC1CS1 1458a_100000191162_100000031435 [0,1,0,1,0,0|2,0,0]=4 16558 B12R1.563 CCCCSCC(=O)C[C@@H]1CO1 1458a_100000191162_100000745022 [0,1,0,1,0,0|2,0,0]=4 16559 B12R1.563 CCCCSCC(=O)NC1CC1 1626a_100000212008_100000191162 [0,1,0,1,0,0|2,0,0]=4 16560 B12R1.563 CCCCSCC(=O)NC1CC1 240690a_100000212008_100000191162 [0,1,0,1,0,0|2,0,0]=4 16561 B12R1.563 CCCCSCC(=O)NC1CC1 527a_100000212008_100000191162 [0,1,0,1,0,0|2,0,0]=4 16562 B12R1.563 CCCCSCC(=O)NC1CC1 62a_100000182950_100000210210 [0,1,0,1,0,0|2,0,0]=4 16563 B12R1.563 CCCCSCC(=O)NC1CC1 62a_100000210211_100000182950 [0,1,0,1,0,0|2,0,0]=4 16564 B12R1.563 CCCOCCC(=O)CC1CC1 1458a_100000738066_100011215938 [0,1,0,1,0,0|2,0,0]=4 16565 B12R1.563 CCCOCCC(=O)NC1CC1 34a_100000210258_100000737409 [0,1,0,1,0,0|2,0,0]=4 16566 B12R1.563 CCCSCCC(=O)NC1CC1 62a_100000210303_100000737409 [0,1,0,1,0,0|2,0,0]=4 16567 B12R1.563 CCCSCCC(=O)NC1CC1 62a_100000737409_100000210303 [0,1,0,1,0,0|2,0,0]=4 16568 B12R1.563 CCOCCCC(=O)CC1CC1 1458a_100000738066_100012232248 [0,1,0,1,0,0|2,0,0]=4 16569 B12R1.563 CCOCCNC(=O)CC1CC1 11a_100011200944_100000738066 [0,1,0,1,0,0|2,0,0]=4 16570 B12R1.563 CCOCCNC(=O)CC1CC1 1626a_102516460346_100000738066 [0,1,0,1,0,0|2,0,0]=4 16571 B12R1.563 CCOCCNC(=O)CC1CC1 240690a_100011200944_100000738066 [0,1,0,1,0,0|2,0,0]=4 16572 B12R1.563 CCOCCNC(=O)CC1CC1 527a_100011200944_100000738066 [0,1,0,1,0,0|2,0,0]=4 16573 B12R1.563 CCOCCNC(=O)NC1CC1 2708a_100000212008_100011200944 [0,1,0,1,0,0|2,0,0]=4 16574 B12R1.563 CCOCCNC(=O)NC1CC1 2708a_100011200944_100000212008 [0,1,0,1,0,0|2,0,0]=4 16575 B12R1.563 CCOCCNC(=O)NC1CC1 273464a_100000212008_102516460346 [0,1,0,1,0,0|2,0,0]=4 16576 B12R1.563 CCOCCNC(=O)NC1CC1 273464a_102516460346_100000212008 [0,1,0,1,0,0|2,0,0]=4 16577 B12R1.563 CCOCCNC(=O)NC1CC1 512a_100000212008_100011200944 [0,1,0,1,0,0|2,0,0]=4 16578 B12R1.563 CCSCCNC(=O)CC1CC1 11a_100000106463_100000738066 [0,1,0,1,0,0|2,0,0]=4 16579 B12R1.563 CCSCCNC(=O)CC1CC1 1626a_100000106463_100000738066 [0,1,0,1,0,0|2,0,0]=4 16580 B12R1.563 CCSCCNC(=O)CC1CC1 240690a_100000106463_100000738066 [0,1,0,1,0,0|2,0,0]=4 16581 B12R1.563 CCSCCNC(=O)CC1CC1 527a_100000106463_100000738066 [0,1,0,1,0,0|2,0,0]=4 16582 B12R1.563 CCSCCNC(=O)NC1CC1 2708a_100000106463_100000212008 [0,1,0,1,0,0|2,0,0]=4 16583 B12R1.563 CCSCCNC(=O)NC1CC1 2708a_100000212008_100000106463 [0,1,0,1,0,0|2,0,0]=4 16584 B12R1.563 CCSCCNC(=O)NC1CC1 273464a_100000106463_100000212008 [0,1,0,1,0,0|2,0,0]=4 16585 B12R1.563 CCSCCNC(=O)NC1CC1 273464a_100000212008_100000106463 [0,1,0,1,0,0|2,0,0]=4 16586 B12R1.563 CCSCCNC(=O)NC1CC1 512a_100000212008_100000106463 [0,1,0,1,0,0|2,0,0]=4 16587 B12R1.563 COCCCCC(=O)CC1CC1 1458a_100000738066_100000755781 [0,1,0,1,0,0|2,0,0]=4 16588 B12R1.563 COCCCNC(=O)CC1CC1 1626a_100150723488_100000738066 [0,1,0,1,0,0|2,0,0]=4 16589 B12R1.563 COCCCNC(=O)CC1CC1 240690a_100150723488_100000738066 [0,1,0,1,0,0|2,0,0]=4 16590 B12R1.563 COCCCNC(=O)CC1CC1 527a_100150723488_100000738066 [0,1,0,1,0,0|2,0,0]=4 16591 B12R1.563 COCCCNC(=O)NC1CC1 2708a_100000212008_100150723488 [0,1,0,1,0,0|2,0,0]=4 16592 B12R1.563 COCCCNC(=O)NC1CC1 2708a_100150723488_100000212008 [0,1,0,1,0,0|2,0,0]=4 16593 B12R1.563 COCCCNC(=O)NC1CC1 273464a_100000212008_100150723488 [0,1,0,1,0,0|2,0,0]=4 16594 B12R1.563 COCCCNC(=O)NC1CC1 273464a_100150723488_100000212008 [0,1,0,1,0,0|2,0,0]=4 16595 B12R1.563 COCCCNC(=O)NC1CC1 512a_100000212008_100150723488 [0,1,0,1,0,0|2,0,0]=4 16596 B12R1.563 CSCCCNC(=O)CC1CC1 11a_100000749238_100000738066 [0,1,0,1,0,0|2,0,0]=4 16597 B12R1.563 CSCCCNC(=O)CC1CC1 1626a_100000749238_100000738066 [0,1,0,1,0,0|2,0,0]=4 16598 B12R1.563 CSCCCNC(=O)CC1CC1 240690a_100000749238_100000738066 [0,1,0,1,0,0|2,0,0]=4 16599 B12R1.563 CSCCCNC(=O)CC1CC1 527a_100000749238_100000738066 [0,1,0,1,0,0|2,0,0]=4 16600 B12R1.563 CSCCCNC(=O)NC1CC1 2708a_100000212008_100000749238 [0,1,0,1,0,0|2,0,0]=4 16601 B12R1.563 CSCCCNC(=O)NC1CC1 2708a_100000749238_100000212008 [0,1,0,1,0,0|2,0,0]=4 16602 B12R1.563 CSCCCNC(=O)NC1CC1 273464a_100000212008_100000749238 [0,1,0,1,0,0|2,0,0]=4 16603 B12R1.563 CSCCCNC(=O)NC1CC1 273464a_100000749238_100000212008 [0,1,0,1,0,0|2,0,0]=4 16604 B12R1.563 CSCCCNC(=O)NC1CC1 512a_100000212008_100000749238 [0,1,0,1,0,0|2,0,0]=4 16605 B12R1.563 O=C(CC1CC1)NCCCCO 240690a_100000750430_100000738066 [0,1,0,1,0,0|2,0,0]=4 16606 B12R1.563 O=C(CC1CC1)NCCCCO 527a_100000750430_100000738066 [0,1,0,1,0,0|2,0,0]=4 16607 B12R1.563 O=C(CCCCCF)CC1CC1 1458a_100000738066_100000729378 [0,1,0,1,0,0|2,0,0]=4 16608 B12R1.563 O=C(CCCCCO)CC1CC1 1458a_100000738066_100000746330 [0,1,0,1,0,0|2,0,0]=4 16609 B12R1.563 O=C(CCCCCO)CC1CC1 1458a_100102619762_100000742324 [0,1,0,1,0,0|2,0,0]=4 16610 B12R1.563 O=C(CCCCCO)CC1CO1 1458a_100102619762_100011216344 [0,1,0,1,0,0|2,0,0]=4 16611 B12R1.563 O=C(CCCCCO)CC1CS1 1458a_100102619762_100000031435 [0,1,0,1,0,0|2,0,0]=4 16612 B12R1.563 O=C(CCCCCO)C[C@@H]1CO1 1458a_100102619762_100000745022 [0,1,0,1,0,0|2,0,0]=4 16613 B12R1.563 O=C(CCCCCO)NC1CC1 240690a_100000212008_100102619762 [0,1,0,1,0,0|2,0,0]=4 16614 B12R1.563 O=C(NCCCCO)NC1CC1 2708a_100000212008_100000750430 [0,1,0,1,0,0|2,0,0]=4 16615 B12R1.563 O=C(NCCCCO)NC1CC1 2708a_100000750430_100000212008 [0,1,0,1,0,0|2,0,0]=4 16616 B12R1.563 O=C(NCCCCO)NC1CC1 273464a_100000212008_100000750430 [0,1,0,1,0,0|2,0,0]=4 16617 B12R1.563 O=C(NCCCCO)NC1CC1 273464a_100000750430_100000212008 [0,1,0,1,0,0|2,0,0]=4 16618 B12R1.563 O=C(NCCCCO)NC1CC1 512a_100000212008_100000750430 [0,1,0,1,0,0|2,0,0]=4 16619 B12R1.1376 CC(C)CC(=O)NCC1CCC1 11a_100000738700_100000210554 [0,1,0,1,0,0|1,0,0]=3 16620 B12R1.1376 CC(C)CC(=O)NCC1CCC1 1626a_100000738700_100000210554 [0,1,0,1,0,0|1,0,0]=3 16621 B12R1.1376 CC(C)CC(=O)NCC1CCC1 240690a_100000738700_100000210554 [0,1,0,1,0,0|1,0,0]=3 16622 B12R1.1376 CC(C)CC(=O)NCC1CCC1 527a_100000738700_100000210554 [0,1,0,1,0,0|1,0,0]=3 16623 B12R1.1376 CC(C)CC(=O)NCC1COC1 11a_100015281925_100000210554 [0,1,0,1,0,0|2,0,0]=4 16624 B12R1.1376 CC(C)CC(=O)NCC1COC1 1626a_100015281925_100000210554 [0,1,0,1,0,0|2,0,0]=4 16625 B12R1.1376 CC(C)CC(=O)NCC1COC1 240690a_100015281925_100000210554 [0,1,0,1,0,0|2,0,0]=4 16626 B12R1.1376 CC(C)CC(=O)NCC1COC1 527a_100015281925_100000210554 [0,1,0,1,0,0|2,0,0]=4 16627 B12R1.1376 CC(C)CC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210554 [0,1,0,1,0,0|2,0,0]=4 16628 B12R1.1376 CC(C)CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210554 [0,1,0,1,0,0|2,0,0]=4 16629 B12R1.1376 CC(C)CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210554 [0,1,0,1,0,0|2,0,0]=4 16630 B12R1.1376 CC(C)CC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210554 [0,1,0,1,0,0|2,0,0]=4 16631 B12R1.1376 CC(C)CC(=O)NNC1CCC1 22a_100000736358_100000210554 [0,1,0,1,0,0|2,0,0]=4 16632 B12R1.1376 CC(C)CC(C)OCC1CCC1 34a_100000211805_100000763275 [0,1,0,1,0,0|1,0,1]=4 16633 B12R1.1376 CC(C)CC(C)OCC1CCC1 34a_100000760304_100000731052 [0,1,0,1,0,0|1,0,1]=4 16634 B12R1.1376 CC(C)CC(C)OCC1CCC1 7a_100000211805_100000763275 [0,1,0,1,0,0|1,0,1]=4 16635 B12R1.1376 CC(C)NC(=O)NCC1CCC1 2708a_100000738700_100138425928 [0,1,0,1,0,0|2,0,0]=4 16636 B12R1.1376 CC(C)NC(=O)NCC1CCC1 2708a_100138425928_100000738700 [0,1,0,1,0,0|2,0,0]=4 16637 B12R1.1376 CC(C)NC(=O)NCC1CCC1 273464a_100138425928_100000738700 [0,1,0,1,0,0|2,0,0]=4 16638 B12R1.1376 CC(C)NC(=O)NCC1CCC1 512a_100000738700_100138425928 [0,1,0,1,0,0|2,0,0]=4 16639 B12R1.1376 CC(C)NC(=O)NCC1CCC1 512a_100138425928_100000738700 [0,1,0,1,0,0|2,0,0]=4 16640 B12R1.1376 CC(C)OC(=O)OCN1CCC1 269982a_100000754969_100010125566 [0,1,0,1,0,0|2,0,0]=4 16641 B12R1.1376 CN(C)CC(=O)NCC1CCC1 11a_100000738700_100000750896 [0,1,0,1,0,0|2,0,0]=4 16642 B12R1.1376 CN(C)CC(=O)NCC1CCC1 240690a_100000738700_100000750896 [0,1,0,1,0,0|2,0,0]=4 16643 B12R1.1376 CN(C)CC(=O)NCC1CCC1 527a_100000738700_100000750896 [0,1,0,1,0,0|2,0,0]=4 16644 B12R1.1376 C[C@@H](O)CC(=O)NCC1CCC1 240690a_100000738700_100011933948 [0,1,0,1,0,0|1,0,0]=3 16645 B12R1.1376 C[C@@H](O)CC(=O)NCC1COC1 240690a_100015281925_100011933948 [0,1,0,1,0,0|2,0,0]=4 16646 B12R1.1376 C[C@@H](O)CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100011933948 [0,1,0,1,0,0|2,0,0]=4 16647 B12R1.1376 C[C@@H](O)CC(=O)NNC1CCC1 22a_100000736358_100011933948 [0,1,0,1,0,0|2,0,0]=4 16648 B12R1.1376 C[S+](C)CC(=O)NCC1CCC1 11a_100000738700_200159257847 [0,1,0,1,0,0|2,0,0]=4 16649 B12R1.1376 C[S+](C)CC(=O)NCC1CCC1 1626a_100000738700_200159257847 [0,1,0,1,0,0|2,0,0]=4 16650 B12R1.1376 C[S+](C)CC(=O)NCC1CCC1 240690a_100000738700_200159257847 [0,1,0,1,0,0|2,0,0]=4 16651 B12R1.1376 C[S+](C)CC(=O)NCC1CCC1 527a_100000738700_200159257847 [0,1,0,1,0,0|2,0,0]=4 16652 B12R1.1377 CC(C)CC(=O)CCCC1CO1 1458a_100000210554_100000733510 [0,1,0,1,0,0|2,0,0]=4 16653 B12R1.1377 CC(C)CC(=O)CSCC1CC1 1458a_200011316215_100000210624 [0,1,0,1,0,0|2,0,0]=4 16654 B12R1.1377 CC(C)CC(=O)NCCC1CC1 1626a_100000764129_100000210554 [0,1,0,1,0,0|1,0,0]=3 16655 B12R1.1377 CC(C)CC(=O)NCCC1CC1 240690a_100000764129_100000210554 [0,1,0,1,0,0|1,0,0]=3 16656 B12R1.1377 CC(C)CC(=O)NCCC1CC1 527a_100000764129_100000210554 [0,1,0,1,0,0|1,0,0]=3 16657 B12R1.1377 CC(C)CC(=O)NNCC1CC1 22a_100000736359_100000210554 [0,1,0,1,0,0|2,0,0]=4 16658 B12R1.1377 CC(C)CC(C)OCCC1CC1 34a_100000211805_100000694398 [0,1,0,1,0,0|1,0,1]=4 16659 B12R1.1377 CC(C)CC(C)OCCC1CC1 34a_100000754188_100000731052 [0,1,0,1,0,0|1,0,1]=4 16660 B12R1.1377 CC(C)CC(C)OCCC1CC1 7a_100000211805_100000764125 [0,1,0,1,0,0|1,0,1]=4 16661 B12R1.1377 CC(C)CC(C)OCCC1CC1 7a_100000754188_100000731052 [0,1,0,1,0,0|1,0,1]=4 16662 B12R1.1377 CC(C)NC(=O)NCCC1CC1 2708a_100000764129_100138425928 [0,1,0,1,0,0|2,0,0]=4 16663 B12R1.1377 CC(C)NC(=O)NCCC1CC1 2708a_100138425928_100000764129 [0,1,0,1,0,0|2,0,0]=4 16664 B12R1.1377 CC(C)NC(=O)NCCC1CC1 273464a_100138425928_100000764129 [0,1,0,1,0,0|2,0,0]=4 16665 B12R1.1377 CC(C)NC(=O)NCCC1CC1 512a_100000764129_100138425928 [0,1,0,1,0,0|2,0,0]=4 16666 B12R1.1377 CC(C)NC(=O)NCCC1CC1 512a_100138425928_100000764129 [0,1,0,1,0,0|2,0,0]=4 16667 B12R1.1377 CC(C)OC(=O)OCSC1CC1 62a_100000003507_100000211595 [0,1,0,1,0,0|2,0,0]=4 16668 B12R1.1377 CC(O)CC(=O)CSCC1CC1 1458a_200011316215_100011218427 [0,1,0,1,0,0|2,0,0]=4 16669 B12R1.1377 CN(C)CC(=O)NCCC1CC1 240690a_100000764129_100000750896 [0,1,0,1,0,0|2,0,0]=4 16670 B12R1.1377 CN(C)CC(=O)NCCC1CC1 527a_100000764129_100000750896 [0,1,0,1,0,0|2,0,0]=4 16671 B12R1.1377 C[C@@H](O)CC(=O)CCCC1CO1 1458a_100011933948_100000733510 [0,1,0,1,0,0|2,0,0]=4 16672 B12R1.1377 C[C@@H](O)CC(=O)NCCC1CC1 240690a_100000764129_100011933948 [0,1,0,1,0,0|1,0,0]=3 16673 B12R1.1377 C[C@@H](O)CC(=O)NNCC1CC1 22a_100000736359_100011933948 [0,1,0,1,0,0|2,0,0]=4 16674 B12R1.1377 C[S+](C)CC(=O)NCCC1CC1 1626a_100000764129_200159257847 [0,1,0,1,0,0|2,0,0]=4 16675 B12R1.1377 C[S+](C)CC(=O)NCCC1CC1 240690a_100000764129_200159257847 [0,1,0,1,0,0|2,0,0]=4 16676 B12R1.1377 C[S+](C)CC(=O)NCCC1CC1 527a_100000764129_200159257847 [0,1,0,1,0,0|2,0,0]=4 16677 B12R1.2563 CC1CC1C(=O)CCCCCF 1458a_100000211227_100000729378 [0,1,0,1,0,0|2,0,0]=4 16678 B12R1.2563 CC1CC1C(=O)CCCCCO 1458a_100000211227_100000746330 [0,1,0,1,0,0|2,0,0]=4 16679 B12R1.2563 CC1CC1C(=O)NCCCCO 527a_100000750430_100000211227 [0,1,0,1,0,0|2,0,0]=4 16680 B12R1.2563 CCCCCCC(=O)C1CC1C 1458a_100000211227_100000210757 [0,1,0,1,0,0|1,0,0]=3 16681 B12R1.2563 CCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210757 [0,1,0,1,0,0|1,0,0]=3 16682 B12R1.2563 CCCCCNC(=O)C1CC1C 11a_100000209983_100000211227 [0,1,0,1,0,0|1,0,0]=3 16683 B12R1.2563 CCCCCNC(=O)C1CC1C 1626a_100000209983_100000211227 [0,1,0,1,0,0|1,0,0]=3 16684 B12R1.2563 CCCCCNC(=O)C1CC1C 527a_100000209983_100000211227 [0,1,0,1,0,0|1,0,0]=3 16685 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000209983_100015396687 [0,1,0,1,0,0|1,0,0]=3 16686 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000209983_100015396687 [0,1,0,1,0,0|1,0,0]=3 16687 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000209983_100015396687 [0,1,0,1,0,0|1,0,0]=3 16688 B12R1.2563 CCCCNNC(=O)C1CC1C 22a_100025702795_100000211227 [0,1,0,1,0,0|2,0,0]=4 16689 B12R1.2563 CCCCNNC(=O)[C@@H]1C[C@@H]1F 22a_100025702795_100015396687 [0,1,0,1,0,0|2,0,0]=4 16690 B12R1.2563 CCCCOCC(=O)C1CC1C 1458a_100000211227_100011995733 [0,1,0,1,0,0|2,0,0]=4 16691 B12R1.2563 CCCCOCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011995733 [0,1,0,1,0,0|2,0,0]=4 16692 B12R1.2563 CCCOCCC(=O)C1CC1C 1458a_100000211227_100011215938 [0,1,0,1,0,0|2,0,0]=4 16693 B12R1.2563 CCCOCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215938 [0,1,0,1,0,0|2,0,0]=4 16694 B12R1.2563 CCOCCCC(=O)C1CC1C 1458a_100000211227_100012232248 [0,1,0,1,0,0|2,0,0]=4 16695 B12R1.2563 CCOCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100012232248 [0,1,0,1,0,0|2,0,0]=4 16696 B12R1.2563 CCOCCNC(=O)C1CC1C 11a_100011200944_100000211227 [0,1,0,1,0,0|2,0,0]=4 16697 B12R1.2563 CCOCCNC(=O)C1CC1C 1626a_102516460346_100000211227 [0,1,0,1,0,0|2,0,0]=4 16698 B12R1.2563 CCOCCNC(=O)C1CC1C 527a_100011200944_100000211227 [0,1,0,1,0,0|2,0,0]=4 16699 B12R1.2563 CCOCCNC(=O)[C@@H]1C[C@@H]1F 11a_100011200944_100015396687 [0,1,0,1,0,0|2,0,0]=4 16700 B12R1.2563 CCOCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100011200944_100015396687 [0,1,0,1,0,0|2,0,0]=4 16701 B12R1.2563 CCOCCNC(=O)[C@@H]1C[C@@H]1F 527a_100011200944_100015396687 [0,1,0,1,0,0|2,0,0]=4 16702 B12R1.2563 CCSCCNC(=O)C1CC1C 11a_100000106463_100000211227 [0,1,0,1,0,0|2,0,0]=4 16703 B12R1.2563 CCSCCNC(=O)C1CC1C 1626a_100000106463_100000211227 [0,1,0,1,0,0|2,0,0]=4 16704 B12R1.2563 CCSCCNC(=O)C1CC1C 527a_100000106463_100000211227 [0,1,0,1,0,0|2,0,0]=4 16705 B12R1.2563 CCSCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000106463_100015396687 [0,1,0,1,0,0|2,0,0]=4 16706 B12R1.2563 CCSCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000106463_100015396687 [0,1,0,1,0,0|2,0,0]=4 16707 B12R1.2563 CCSCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000106463_100015396687 [0,1,0,1,0,0|2,0,0]=4 16708 B12R1.2563 COCCCCC(=O)C1CC1C 1458a_100000211227_100000755781 [0,1,0,1,0,0|2,0,0]=4 16709 B12R1.2563 COCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000755781 [0,1,0,1,0,0|2,0,0]=4 16710 B12R1.2563 COCCCNC(=O)C1CC1C 1626a_100150723488_100000211227 [0,1,0,1,0,0|2,0,0]=4 16711 B12R1.2563 COCCCNC(=O)C1CC1C 527a_100150723488_100000211227 [0,1,0,1,0,0|2,0,0]=4 16712 B12R1.2563 COCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100150723488_100015396687 [0,1,0,1,0,0|2,0,0]=4 16713 B12R1.2563 COCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100150723488_100015396687 [0,1,0,1,0,0|2,0,0]=4 16714 B12R1.2563 CSCCCNC(=O)C1CC1C 11a_100000749238_100000211227 [0,1,0,1,0,0|2,0,0]=4 16715 B12R1.2563 CSCCCNC(=O)C1CC1C 1626a_100000749238_100000211227 [0,1,0,1,0,0|2,0,0]=4 16716 B12R1.2563 CSCCCNC(=O)C1CC1C 527a_100000749238_100000211227 [0,1,0,1,0,0|2,0,0]=4 16717 B12R1.2563 CSCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000749238_100015396687 [0,1,0,1,0,0|2,0,0]=4 16718 B12R1.2563 CSCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000749238_100015396687 [0,1,0,1,0,0|2,0,0]=4 16719 B12R1.2563 CSCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000749238_100015396687 [0,1,0,1,0,0|2,0,0]=4 16720 B12R1.2563 O=C(CCCCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100000729378 [0,1,0,1,0,0|2,0,0]=4 16721 B12R1.2563 O=C(CCCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000746330 [0,1,0,1,0,0|2,0,0]=4 16722 B12R1.2563 O=C(NCCCCO)[C@@H]1C[C@@H]1F 240690a_100000750430_100015396687 [0,1,0,1,0,0|2,0,0]=4 16723 B12R1.2563 O=C(NCCCCO)[C@@H]1C[C@@H]1F 527a_100000750430_100015396687 [0,1,0,1,0,0|2,0,0]=4 16724 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,1,0,1,0,0|2,0,0]=4 16725 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,1,0,1,0,0|2,0,0]=4 16726 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,1,0,1,0,0|2,0,0]=4 16727 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,1,0,1,0,0|2,0,0]=4 16728 B12R1.28 CCCCOC1C=C(CCC1)C 34a_100011218613_100000210210 [0,1,0,1,0,0|2,0,0]=4 16729 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,1,0,1,0,0|1,0,0]=3 16730 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,1,0,1,0,0|2,0,0]=4 16731 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [0,1,0,1,0,0|1,0,0]=3 16732 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,1,0,1,0,0|2,0,0]=4 16733 B12R1.28 CCCOCC1COCC(=O)N1 34a_200000101122_100000210303 [0,1,0,1,0,0|2,0,0]=4 16734 B12R1.28 COCCOC1CCCC(=O)C1 34a_100012613340_100011201679 [0,1,0,1,0,0|2,0,0]=4 16735 B12R1.28 CSCCOC1CCCC(=O)C1 34a_100012613340_100000212216 [0,1,0,1,0,0|2,0,0]=4 16736 B12R1.28 CSCOCC1CCCC(=O)N1 34a_200000102386_100011218213 [0,1,0,1,0,0|2,0,0]=4 16737 B12R1.28 O=C1CCCC(C1)OCCCF 34a_100012613340_100011934791 [0,1,0,1,0,0|2,0,0]=4 16738 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,1,0,1,0,0|2,0,0]=4 16739 B12R1.28 O=C1CCCC(N1)COCCF 34a_200000102386_100011217306 [0,1,0,1,0,0|2,0,0]=4 16740 B12R1.28 O=C1CCCC(N1)COCCO 34a_200000102386_100000211926 [0,1,0,1,0,0|2,0,0]=4 16741 B12R1.32 CCCC(=O)C=C1CCCCC1 1458a_100000743792_100000210303 [0,1,0,1,0,0|1,0,0]=3 16742 B12R1.32 CCCC(=O)C=C1CCOCC1 1458a_100000761426_100000210303 [0,1,0,1,0,0|1,0,1]=4 16743 B12R1.32 CCCC(=O)CC1=CCCCC1 1458a_100000039269_100000210303 [0,1,0,1,0,0|1,0,1]=4 16744 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [0,1,0,1,0,0|1,0,0]=3 16745 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [0,1,0,1,0,0|1,0,0]=3 16746 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000211992_100000211543 [0,1,0,1,0,0|1,0,0]=3 16747 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000238585_100000210303 [0,1,0,1,0,0|1,0,0]=3 16748 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000211992_100000741521 [0,1,0,1,0,0|1,0,0]=3 16749 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000741523_100000210303 [0,1,0,1,0,0|1,0,0]=3 16750 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000211992_100000754603 [0,1,0,1,0,0|1,0,0]=3 16751 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000757261_100000210303 [0,1,0,1,0,0|1,0,0]=3 16752 B12R1.32 CCCC(=O)CN1CCCCC1 1458a_100000740322_100000210303 [0,1,0,1,0,0|1,0,0]=3 16753 B12R1.32 CCCC(=O)CN1CCCOC1 2230a_100000131196_100000747444 [0,1,0,1,0,0|2,0,0]=4 16754 B12R1.32 CCCC(=O)CN1CCCOC1 269982a_100000131196_100000747444 [0,1,0,1,0,0|2,0,0]=4 16755 B12R1.32 CCCC(=O)CN1CCOCC1 1458a_100000740321_100000210303 [0,1,0,1,0,0|2,0,0]=4 16756 B12R1.32 CCCC(=O)CN1CCOCC1 2230a_100015191051_100000747444 [0,1,0,1,0,0|2,0,0]=4 16757 B12R1.32 CCCC(=O)CN1CCOCC1 269982a_100015191051_100000747444 [0,1,0,1,0,0|2,0,0]=4 16758 B12R1.32 CCCC(=O)CN1CCSCC1 2230a_100000737611_100000747444 [0,1,0,1,0,0|2,0,0]=4 16759 B12R1.32 CCCC(=O)CN1CCSCC1 269982a_100000737611_100000747444 [0,1,0,1,0,0|2,0,0]=4 16760 B12R1.32 CCCC(=O)NC1CCCCC1 11a_100000182618_100000211992 [0,1,0,1,0,0|1,0,0]=3 16761 B12R1.32 CCCC(=O)NC1CCCCC1 1626a_100000182618_100000211992 [0,1,0,1,0,0|1,0,0]=3 16762 B12R1.32 CCCC(=O)NC1CCCCC1 240690a_100000182618_100000211992 [0,1,0,1,0,0|1,0,0]=3 16763 B12R1.32 CCCC(=O)NC1CCCCC1 527a_100000182618_100000211992 [0,1,0,1,0,0|1,0,0]=3 16764 B12R1.32 CCCC(=O)NC1CCCOC1 11a_100000719290_100000211992 [0,1,0,1,0,0|1,0,0]=3 16765 B12R1.32 CCCC(=O)NC1CCCOC1 1626a_100000719290_100000211992 [0,1,0,1,0,0|1,0,0]=3 16766 B12R1.32 CCCC(=O)NC1CCCOC1 240690a_100000719290_100000211992 [0,1,0,1,0,0|1,0,0]=3 16767 B12R1.32 CCCC(=O)NC1CCCOC1 527a_100000719290_100000211992 [0,1,0,1,0,0|1,0,0]=3 16768 B12R1.32 CCCC(=O)NC1CCOCC1 11a_100000741149_100000211992 [0,1,0,1,0,0|1,0,0]=3 16769 B12R1.32 CCCC(=O)NC1CCOCC1 1626a_100000741149_100000211992 [0,1,0,1,0,0|1,0,0]=3 16770 B12R1.32 CCCC(=O)NC1CCOCC1 240690a_100000741149_100000211992 [0,1,0,1,0,0|1,0,0]=3 16771 B12R1.32 CCCC(=O)NC1CCOCC1 527a_100000741149_100000211992 [0,1,0,1,0,0|1,0,0]=3 16772 B12R1.32 CCCC(=O)NC1CCSCC1 11a_100000748639_100000211992 [0,1,0,1,0,0|1,0,0]=3 16773 B12R1.32 CCCC(=O)NC1CCSCC1 1626a_100000748639_100000211992 [0,1,0,1,0,0|1,0,0]=3 16774 B12R1.32 CCCC(=O)NC1CCSCC1 240690a_100000748639_100000211992 [0,1,0,1,0,0|1,0,0]=3 16775 B12R1.32 CCCC(=O)NC1CCSCC1 527a_100000748639_100000211992 [0,1,0,1,0,0|1,0,0]=3 16776 B12R1.32 CCCC(C)OC1CCCCC1 34a_100000210231_100000766640 [0,1,0,1,0,0|1,0,1]=4 16777 B12R1.32 CCCC(C)OC1CCCCC1 34a_100000764384_100000210327 [0,1,0,1,0,0|1,0,1]=4 16778 B12R1.32 CCCC(C)OC1CCCCC1 7a_100000210231_100000766640 [0,1,0,1,0,0|1,0,1]=4 16779 B12R1.32 CCCC(C)OC1CCCCC1 7a_100000764384_100000210327 [0,1,0,1,0,0|1,0,1]=4 16780 B12R1.32 CCCC(C)OC1CCCCO1 34a_100000033831_100000766640 [0,1,0,1,0,0|1,0,1]=4 16781 B12R1.32 CCCC(C)OC1CCCOC1 34a_100000754041_100000766640 [0,1,0,1,0,0|1,0,1]=4 16782 B12R1.32 CCCC(C)OC1CCCOC1 34a_100000764384_100000693364 [0,1,0,1,0,0|1,0,1]=4 16783 B12R1.32 CCCC(C)OC1CCCOC1 7a_100000764384_100000693364 [0,1,0,1,0,0|1,0,1]=4 16784 B12R1.32 CCCC(C)OC1CCCSC1 7a_100015962668_100000766640 [0,1,0,1,0,0|1,0,1]=4 16785 B12R1.32 CCCC(C)OC1CCOCC1 34a_100000744328_100000766640 [0,1,0,1,0,0|1,0,1]=4 16786 B12R1.32 CCCC(C)OC1CCOCC1 7a_100000764384_100000686592 [0,1,0,1,0,0|1,0,1]=4 16787 B12R1.32 CCCC(C)OC1CCSCC1 34a_100000731022_100000766640 [0,1,0,1,0,0|1,0,1]=4 16788 B12R1.32 CCCC(C)OC1CCSCC1 34a_100000764384_100000069128 [0,1,0,1,0,0|1,0,1]=4 16789 B12R1.32 CCCC(C)OC1CCSCC1 7a_100000731022_100000766640 [0,1,0,1,0,0|1,0,1]=4 16790 B12R1.32 CCCC(C)OC1CCSCC1 7a_100000764384_100011500858 [0,1,0,1,0,0|1,0,1]=4 16791 B12R1.32 CCNC(=O)C=C1CCCCC1 11a_100015525214_100000743792 [0,1,0,1,0,0|2,0,0]=4 16792 B12R1.32 CCNC(=O)C=C1CCCCC1 240690a_100015525214_100000743792 [0,1,0,1,0,0|2,0,0]=4 16793 B12R1.32 CCNC(=O)CC1CCCCC1 11a_100015525214_100000211666 [0,1,0,1,0,0|2,0,0]=4 16794 B12R1.32 CCNC(=O)CC1CCCCC1 240690a_100015525214_100000211666 [0,1,0,1,0,0|2,0,0]=4 16795 B12R1.32 CCNC(=O)CC1CCCCC1 527a_100015525214_100000211666 [0,1,0,1,0,0|2,0,0]=4 16796 B12R1.32 CCNC(=O)CC1CCCCO1 11a_100015525214_100000238585 [0,1,0,1,0,0|2,0,0]=4 16797 B12R1.32 CCNC(=O)CC1CCCCO1 240690a_100015525214_100000238585 [0,1,0,1,0,0|2,0,0]=4 16798 B12R1.32 CCNC(=O)CC1CCCCO1 527a_100015525214_100000238585 [0,1,0,1,0,0|2,0,0]=4 16799 B12R1.32 CCNC(=O)CC1CCCOC1 11a_100015525214_100000741523 [0,1,0,1,0,0|2,0,0]=4 16800 B12R1.32 CCNC(=O)CC1CCCOC1 240690a_100015525214_100000741523 [0,1,0,1,0,0|2,0,0]=4 16801 B12R1.32 CCNC(=O)CC1CCCOC1 527a_100015525214_100000741523 [0,1,0,1,0,0|2,0,0]=4 16802 B12R1.32 CCNC(=O)CC1CCOCC1 11a_100015525214_100000757261 [0,1,0,1,0,0|2,0,0]=4 16803 B12R1.32 CCNC(=O)CC1CCOCC1 240690a_100015525214_100000757261 [0,1,0,1,0,0|2,0,0]=4 16804 B12R1.32 CCNC(=O)CC1CCOCC1 527a_100015525214_100000757261 [0,1,0,1,0,0|2,0,0]=4 16805 B12R1.32 CCNC(=O)CN1CCCCC1 11a_100015525214_100000740322 [0,1,0,1,0,0|2,0,0]=4 16806 B12R1.32 CCNC(=O)CN1CCCCC1 240690a_100015525214_100000740322 [0,1,0,1,0,0|2,0,0]=4 16807 B12R1.32 CCNC(=O)CN1CCCCC1 527a_100015525214_100000740322 [0,1,0,1,0,0|2,0,0]=4 16808 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100000182618_100015525214 [0,1,0,1,0,0|2,0,0]=4 16809 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100015525214_100000182618 [0,1,0,1,0,0|2,0,0]=4 16810 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100000182618_100015525214 [0,1,0,1,0,0|2,0,0]=4 16811 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100015525214_100000182618 [0,1,0,1,0,0|2,0,0]=4 16812 B12R1.32 CCNC(=O)NC1CCCOC1 2708a_100000719290_100015525214 [0,1,0,1,0,0|2,0,0]=4 16813 B12R1.32 CCNC(=O)NC1CCCOC1 2708a_100015525214_100000719290 [0,1,0,1,0,0|2,0,0]=4 16814 B12R1.32 CCNC(=O)NC1CCCOC1 273464a_100000719290_100015525214 [0,1,0,1,0,0|2,0,0]=4 16815 B12R1.32 CCNC(=O)NC1CCCOC1 273464a_100015525214_100000719290 [0,1,0,1,0,0|2,0,0]=4 16816 B12R1.32 CCNC(=O)NC1CCCOC1 512a_100000719290_100015525214 [0,1,0,1,0,0|2,0,0]=4 16817 B12R1.32 CCNC(=O)NC1CCCOC1 512a_100015525214_100000719290 [0,1,0,1,0,0|2,0,0]=4 16818 B12R1.32 CCNC(=O)NC1CCOCC1 2708a_100000741149_100015525214 [0,1,0,1,0,0|2,0,0]=4 16819 B12R1.32 CCNC(=O)NC1CCOCC1 2708a_100015525214_100000741149 [0,1,0,1,0,0|2,0,0]=4 16820 B12R1.32 CCNC(=O)NC1CCOCC1 273464a_100000741149_100015525214 [0,1,0,1,0,0|2,0,0]=4 16821 B12R1.32 CCNC(=O)NC1CCOCC1 273464a_100015525214_100000741149 [0,1,0,1,0,0|2,0,0]=4 16822 B12R1.32 CCNC(=O)NC1CCOCC1 512a_100000741149_100015525214 [0,1,0,1,0,0|2,0,0]=4 16823 B12R1.32 CCNC(=O)NC1CCOCC1 512a_100015525214_100000741149 [0,1,0,1,0,0|2,0,0]=4 16824 B12R1.32 CCNC(=O)NC1CCSCC1 2708a_100000748639_100015525214 [0,1,0,1,0,0|2,0,0]=4 16825 B12R1.32 CCNC(=O)NC1CCSCC1 2708a_100015525214_100000748639 [0,1,0,1,0,0|2,0,0]=4 16826 B12R1.32 CCNC(=O)NC1CCSCC1 273464a_100000748639_100015525214 [0,1,0,1,0,0|2,0,0]=4 16827 B12R1.32 CCNC(=O)NC1CCSCC1 273464a_100015525214_100000748639 [0,1,0,1,0,0|2,0,0]=4 16828 B12R1.32 CCNC(=O)NC1CCSCC1 512a_100000748639_100015525214 [0,1,0,1,0,0|2,0,0]=4 16829 B12R1.32 CCNC(=O)NC1CCSCC1 512a_100015525214_100000748639 [0,1,0,1,0,0|2,0,0]=4 16830 B12R1.32 CNCC(=O)NC1CCCCC1 2230a_100015207117_200000210301 [0,1,0,1,0,0|2,0,0]=4 16831 B12R1.32 CNCC(=O)NC1CCCCC1 2230a_106832991635_100000183541 [0,1,0,1,0,0|2,0,0]=4 16832 B12R1.32 CNCC(=O)NC1CCCCC1 34a_100102657272_100000183541 [0,1,0,1,0,0|2,0,0]=4 16833 B12R1.32 CNCC(=O)NC1CCCCC1 7a_106832991635_100000183541 [0,1,0,1,0,0|2,0,0]=4 16834 B12R1.32 CNCC(=O)OC1CCCCC1 2230a_106832991635_100000041653 [0,1,0,1,0,0|1,0,0]=3 16835 B12R1.32 CNCC(=O)OC1CCCCC1 34a_100102657272_100000041653 [0,1,0,1,0,0|1,0,0]=3 16836 B12R1.32 CNCC(=O)OC1CCCCC1 7a_106832991635_100000041653 [0,1,0,1,0,0|1,0,0]=3 16837 B12R1.32 COCC(=O)CC1CCCCC1 1458a_100000210968_100000211423 [0,1,0,1,0,0|2,0,0]=4 16838 B12R1.32 COCC(=O)CC1CCCCO1 1458a_100000210968_100000211543 [0,1,0,1,0,0|2,0,0]=4 16839 B12R1.32 COCC(=O)CC1CCCOC1 1458a_100000210968_100000741521 [0,1,0,1,0,0|2,0,0]=4 16840 B12R1.32 COCC(=O)CC1CCOCC1 1458a_100000210968_100000754603 [0,1,0,1,0,0|2,0,0]=4 16841 B12R1.32 COCC(=O)NC1CCCCC1 11a_100000182618_100000210968 [0,1,0,1,0,0|2,0,0]=4 16842 B12R1.32 COCC(=O)NC1CCCCC1 1626a_100000182618_100000210968 [0,1,0,1,0,0|2,0,0]=4 16843 B12R1.32 COCC(=O)NC1CCCCC1 240690a_100000182618_100000210968 [0,1,0,1,0,0|2,0,0]=4 16844 B12R1.32 COCC(=O)NC1CCCCC1 34a_100138415774_100000183541 [0,1,0,1,0,0|2,0,0]=4 16845 B12R1.32 COCC(=O)NC1CCCCC1 527a_100000182618_100000210968 [0,1,0,1,0,0|2,0,0]=4 16846 B12R1.32 COCC(=O)NC1CCCOC1 11a_100000719290_100000210968 [0,1,0,1,0,0|2,0,0]=4 16847 B12R1.32 COCC(=O)NC1CCCOC1 1626a_100000719290_100000210968 [0,1,0,1,0,0|2,0,0]=4 16848 B12R1.32 COCC(=O)NC1CCCOC1 240690a_100000719290_100000210968 [0,1,0,1,0,0|2,0,0]=4 16849 B12R1.32 COCC(=O)NC1CCCOC1 527a_100000719290_100000210968 [0,1,0,1,0,0|2,0,0]=4 16850 B12R1.32 COCC(=O)NC1CCOCC1 11a_100000741149_100000210968 [0,1,0,1,0,0|2,0,0]=4 16851 B12R1.32 COCC(=O)NC1CCOCC1 1626a_100000741149_100000210968 [0,1,0,1,0,0|2,0,0]=4 16852 B12R1.32 COCC(=O)NC1CCOCC1 240690a_100000741149_100000210968 [0,1,0,1,0,0|2,0,0]=4 16853 B12R1.32 COCC(=O)NC1CCOCC1 527a_100000741149_100000210968 [0,1,0,1,0,0|2,0,0]=4 16854 B12R1.32 COCC(=O)NC1CCSCC1 11a_100000748639_100000210968 [0,1,0,1,0,0|2,0,0]=4 16855 B12R1.32 COCC(=O)NC1CCSCC1 1626a_100000748639_100000210968 [0,1,0,1,0,0|2,0,0]=4 16856 B12R1.32 COCC(=O)NC1CCSCC1 240690a_100000748639_100000210968 [0,1,0,1,0,0|2,0,0]=4 16857 B12R1.32 COCC(=O)NC1CCSCC1 527a_100000748639_100000210968 [0,1,0,1,0,0|2,0,0]=4 16858 B12R1.32 COCC(=O)OC1CCCCC1 34a_100138415774_100000041653 [0,1,0,1,0,0|1,0,0]=3 16859 B12R1.32 CSCC(=O)CC1CCCCC1 1458a_100000184570_100000211423 [0,1,0,1,0,0|2,0,0]=4 16860 B12R1.32 CSCC(=O)CC1CCCCO1 1458a_100000184570_100000211543 [0,1,0,1,0,0|2,0,0]=4 16861 B12R1.32 CSCC(=O)CC1CCCOC1 1458a_100000184570_100000741521 [0,1,0,1,0,0|2,0,0]=4 16862 B12R1.32 CSCC(=O)CC1CCOCC1 1458a_100000184570_100000754603 [0,1,0,1,0,0|2,0,0]=4 16863 B12R1.32 CSCC(=O)NC1CCCCC1 11a_100000182618_100000184570 [0,1,0,1,0,0|2,0,0]=4 16864 B12R1.32 CSCC(=O)NC1CCCCC1 1626a_100000182618_100000184570 [0,1,0,1,0,0|2,0,0]=4 16865 B12R1.32 CSCC(=O)NC1CCCCC1 240690a_100000182618_100000184570 [0,1,0,1,0,0|2,0,0]=4 16866 B12R1.32 CSCC(=O)NC1CCCCC1 527a_100000182618_100000184570 [0,1,0,1,0,0|2,0,0]=4 16867 B12R1.32 CSCC(=O)NC1CCCCC1 62a_100000183541_200000210301 [0,1,0,1,0,0|2,0,0]=4 16868 B12R1.32 CSCC(=O)NC1CCCCC1 62a_200000210301_100000183541 [0,1,0,1,0,0|2,0,0]=4 16869 B12R1.32 CSCC(=O)NC1CCCOC1 11a_100000719290_100000184570 [0,1,0,1,0,0|2,0,0]=4 16870 B12R1.32 CSCC(=O)NC1CCCOC1 1626a_100000719290_100000184570 [0,1,0,1,0,0|2,0,0]=4 16871 B12R1.32 CSCC(=O)NC1CCCOC1 240690a_100000719290_100000184570 [0,1,0,1,0,0|2,0,0]=4 16872 B12R1.32 CSCC(=O)NC1CCCOC1 527a_100000719290_100000184570 [0,1,0,1,0,0|2,0,0]=4 16873 B12R1.32 CSCC(=O)NC1CCOCC1 11a_100000741149_100000184570 [0,1,0,1,0,0|2,0,0]=4 16874 B12R1.32 CSCC(=O)NC1CCOCC1 1626a_100000741149_100000184570 [0,1,0,1,0,0|2,0,0]=4 16875 B12R1.32 CSCC(=O)NC1CCOCC1 240690a_100000741149_100000184570 [0,1,0,1,0,0|2,0,0]=4 16876 B12R1.32 CSCC(=O)NC1CCOCC1 527a_100000741149_100000184570 [0,1,0,1,0,0|2,0,0]=4 16877 B12R1.32 CSCC(=O)NC1CCSCC1 11a_100000748639_100000184570 [0,1,0,1,0,0|2,0,0]=4 16878 B12R1.32 CSCC(=O)NC1CCSCC1 1626a_100000748639_100000184570 [0,1,0,1,0,0|2,0,0]=4 16879 B12R1.32 CSCC(=O)NC1CCSCC1 240690a_100000748639_100000184570 [0,1,0,1,0,0|2,0,0]=4 16880 B12R1.32 CSCC(=O)NC1CCSCC1 527a_100000748639_100000184570 [0,1,0,1,0,0|2,0,0]=4 16881 B12R1.32 CSCC(=O)OC1CCCCC1 62a_100000041653_200000210301 [0,1,0,1,0,0|1,0,0]=3 16882 B12R1.32 CSCC(=O)OC1CCCCC1 62a_200000210301_100000041653 [0,1,0,1,0,0|1,0,0]=3 16883 B12R1.32 O=C(C=C1CCCCC1)CCF 1458a_100000743792_100011217306 [0,1,0,1,0,0|2,0,0]=4 16884 B12R1.32 O=C(C=C1CCCCC1)CCO 1458a_100000743792_100000211926 [0,1,0,1,0,0|2,0,0]=4 16885 B12R1.32 O=C(CCF)CC1CCCCC1 1458a_100000211666_100011217306 [0,1,0,1,0,0|2,0,0]=4 16886 B12R1.32 O=C(CCF)CC1CCCCO1 1458a_100000238585_100011217306 [0,1,0,1,0,0|2,0,0]=4 16887 B12R1.32 O=C(CCF)CC1CCCOC1 1458a_100000741523_100011217306 [0,1,0,1,0,0|2,0,0]=4 16888 B12R1.32 O=C(CCF)CC1CCOCC1 1458a_100000757261_100011217306 [0,1,0,1,0,0|2,0,0]=4 16889 B12R1.32 O=C(CCF)CN1CCCCC1 1458a_100000740322_100011217306 [0,1,0,1,0,0|2,0,0]=4 16890 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100000211666_100000211926 [0,1,0,1,0,0|2,0,0]=4 16891 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100011216618_100000211423 [0,1,0,1,0,0|2,0,0]=4 16892 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100000238585_100000211926 [0,1,0,1,0,0|2,0,0]=4 16893 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100011216618_100000211543 [0,1,0,1,0,0|2,0,0]=4 16894 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100000741523_100000211926 [0,1,0,1,0,0|2,0,0]=4 16895 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100011216618_100000741521 [0,1,0,1,0,0|2,0,0]=4 16896 B12R1.32 O=C(CCO)CC1CCOCC1 1458a_100000757261_100000211926 [0,1,0,1,0,0|2,0,0]=4 16897 B12R1.32 O=C(CCO)CC1CCOCC1 1458a_100011216618_100000754603 [0,1,0,1,0,0|2,0,0]=4 16898 B12R1.32 O=C(CCO)CN1CCCCC1 1458a_100000740322_100000211926 [0,1,0,1,0,0|2,0,0]=4 16899 B12R1.32 O=C(CCO)NC1CCCCC1 240690a_100000182618_100011216618 [0,1,0,1,0,0|2,0,0]=4 16900 B12R1.32 O=C(CCO)NC1CCCOC1 240690a_100000719290_100011216618 [0,1,0,1,0,0|2,0,0]=4 16901 B12R1.32 O=C(CCO)NC1CCOCC1 240690a_100000741149_100011216618 [0,1,0,1,0,0|2,0,0]=4 16902 B12R1.32 O=C(CCO)NC1CCSCC1 240690a_100000748639_100011216618 [0,1,0,1,0,0|2,0,0]=4 16903 B12R1.32 [13CH3]NCC(=O)NC1CCCCC1 2230a_100015207117_200025704644 [0,1,0,1,0,0|2,0,0]=4 16904 B12R1.32 [13CH3]SCC(=O)NC1CCCCC1 62a_100000183541_200025704644 [0,1,0,1,0,0|2,0,0]=4 16905 B12R1.32 [13CH3]SCC(=O)NC1CCCCC1 62a_200025704644_100000183541 [0,1,0,1,0,0|2,0,0]=4 16906 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_100000041653_200025704644 [0,1,0,1,0,0|1,0,0]=3 16907 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_200025704644_100000041653 [0,1,0,1,0,0|1,0,0]=3 16908 B12R1.37 BrCCCCCOC1CCCC1 34a_100000746331_100000179811 [0,1,0,1,0,0|1,0,1]=4 16909 B12R1.37 BrCCCCCOC1CCCC1 7a_100000746331_100000179811 [0,1,0,1,0,0|1,0,1]=4 16910 B12R1.37 CCCCCCOC1CCCC1 34a_100000210259_100000179811 [0,1,0,1,0,0|1,0,1]=4 16911 B12R1.37 CCCCCCOC1CCCC1 34a_100000210269_100000210314 [0,1,0,1,0,0|1,0,1]=4 16912 B12R1.37 CCCCCCOC1CCCC1 7a_100000210259_100000179811 [0,1,0,1,0,0|1,0,1]=4 16913 B12R1.37 CCCCCCOC1CCCC1 7a_100000210269_100000210314 [0,1,0,1,0,0|1,0,1]=4 16914 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [0,1,0,1,0,0|0,0,2]=4 16915 B12R1.37 CCCCCNN=C1CCCC1 4a_100000694160_100000210133 [0,1,0,1,0,0|2,0,0]=4 16916 B12R1.37 CCCCCOCC1=NCCN1 34a_100000210253_100000737910 [0,1,0,1,0,0|2,0,0]=4 16917 B12R1.37 CCCCCOCC1=NCCN1 7a_100000210253_100000737910 [0,1,0,1,0,0|2,0,0]=4 16918 B12R1.37 CCCCCOCC1CCCC1 34a_100000210253_100000740388 [0,1,0,1,0,0|1,0,1]=4 16919 B12R1.37 CCCCCOCC1CCCC1 34a_100000742336_100000718602 [0,1,0,1,0,0|1,0,1]=4 16920 B12R1.37 CCCCCOCC1CCCC1 7a_100000210253_100000740388 [0,1,0,1,0,0|1,0,1]=4 16921 B12R1.37 CCCCCOCC1CCCC1 7a_100000742336_100000210326 [0,1,0,1,0,0|1,0,1]=4 16922 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [0,1,0,1,0,0|0,0,2]=4 16923 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [0,1,0,1,0,0|0,0,2]=4 16924 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [0,1,0,1,0,0|0,0,2]=4 16925 B12R1.37 CCCCCOC[C@H]1CCCN1 34a_100000745186_100000718602 [0,1,0,1,0,0|1,0,1]=4 16926 B12R1.37 CCCCOCOC1CCCC1 34a_100000210269_100011995733 [0,1,0,1,0,0|1,0,1]=4 16927 B12R1.37 CCCCOCOC1CCCO1 34a_100000085407_100011995733 [0,1,0,1,0,0|0,0,2]=4 16928 B12R1.37 CCCNCCOC1CCCC1 34a_100000741755_100000210303 [0,1,0,1,0,0|1,0,1]=4 16929 B12R1.37 CCCOCCOC1CCCC1 34a_100000210269_100011215938 [0,1,0,1,0,0|1,0,1]=4 16930 B12R1.37 CCCOCCOC1CCCC1 34a_100000738311_100000210303 [0,1,0,1,0,0|1,0,1]=4 16931 B12R1.37 CCCOCCOC1CCCC1 34a_100000752267_100000179811 [0,1,0,1,0,0|1,0,1]=4 16932 B12R1.37 CCCOCCOC1CCCC1 7a_100000210269_100011215938 [0,1,0,1,0,0|1,0,1]=4 16933 B12R1.37 CCCOCCOC1CCCC1 7a_100000738311_100000210303 [0,1,0,1,0,0|1,0,1]=4 16934 B12R1.37 CCCOCCOC1CCCC1 7a_100000752267_100000179811 [0,1,0,1,0,0|1,0,1]=4 16935 B12R1.37 CCCOCCOC1CCCO1 34a_100000085407_100011215938 [0,1,0,1,0,0|0,0,2]=4 16936 B12R1.37 CCCSCCOC1CCCC1 34a_200000230433_100000179811 [0,1,0,1,0,0|1,0,1]=4 16937 B12R1.37 CCCSCCOC1CCCC1 7a_200000230433_100000179811 [0,1,0,1,0,0|1,0,1]=4 16938 B12R1.37 CCNCCCOC1CCCC1 34a_100000747560_100000210202 [0,1,0,1,0,0|1,0,1]=4 16939 B12R1.37 CCOCCCOC1CCCC1 34a_100000210269_100012232248 [0,1,0,1,0,0|1,0,1]=4 16940 B12R1.37 CCOCCCOC1CCCC1 34a_100000757476_100000179811 [0,1,0,1,0,0|1,0,1]=4 16941 B12R1.37 CCOCCCOC1CCCC1 7a_100000210269_100012232248 [0,1,0,1,0,0|1,0,1]=4 16942 B12R1.37 CCOCCCOC1CCCC1 7a_100000757476_100000179811 [0,1,0,1,0,0|1,0,1]=4 16943 B12R1.37 CCOCCCOC1CCCO1 34a_100000085407_100012232248 [0,1,0,1,0,0|0,0,2]=4 16944 B12R1.37 CCSCCCOC1CCCC1 34a_100011216438_100000179811 [0,1,0,1,0,0|1,0,1]=4 16945 B12R1.37 CCSCCCOC1CCCC1 7a_100011216438_100000179811 [0,1,0,1,0,0|1,0,1]=4 16946 B12R1.37 COCCCCOC1CCCC1 34a_100000210269_100000755781 [0,1,0,1,0,0|1,0,1]=4 16947 B12R1.37 COCCCCOC1CCCC1 34a_100000740925_100000179811 [0,1,0,1,0,0|1,0,1]=4 16948 B12R1.37 COCCCCOC1CCCC1 7a_100000210269_100000730899 [0,1,0,1,0,0|1,0,1]=4 16949 B12R1.37 COCCCCOC1CCCO1 34a_100000085407_100000755781 [0,1,0,1,0,0|0,0,2]=4 16950 B12R1.37 COCCCCOC1CCCO1 34a_100011018183_200000210301 [0,1,0,1,0,0|0,0,2]=4 16951 B12R1.37 COCCCCOC1CCCO1 7a_100011018183_200000210301 [0,1,0,1,0,0|0,0,2]=4 16952 B12R1.37 CSCCCCOC1CCCC1 34a_100011217163_100000179811 [0,1,0,1,0,0|1,0,1]=4 16953 B12R1.37 CSCCCCOC1CCCC1 7a_100011217163_100000179811 [0,1,0,1,0,0|1,0,1]=4 16954 B12R1.37 ClCCCCCOC1CCCC1 34a_100000746330_100000179811 [0,1,0,1,0,0|1,0,1]=4 16955 B12R1.37 ClCCCCCOC1CCCC1 7a_100000746330_100000179811 [0,1,0,1,0,0|1,0,1]=4 16956 B12R1.37 FCCCCCOC1CCCC1 34a_100000210269_100000729378 [0,1,0,1,0,0|1,0,1]=4 16957 B12R1.37 FCCCCCOC1CCCC1 7a_100000210269_100000729378 [0,1,0,1,0,0|1,0,1]=4 16958 B12R1.37 FCCCCCOC1CCCO1 34a_100000085407_100000729378 [0,1,0,1,0,0|0,0,2]=4 16959 B12R1.37 ICCCCCOC1CCCC1 34a_200012148887_100000179811 [0,1,0,1,0,0|1,0,1]=4 16960 B12R1.37 ICCCCCOC1CCCC1 7a_200012148887_100000179811 [0,1,0,1,0,0|1,0,1]=4 16961 B12R1.37 NCCCCCOC1CCCC1 34a_100000762737_100000179811 [0,1,0,1,0,0|1,0,1]=4 16962 B12R1.37 OCCCCCOC1CCCC1 34a_100000210269_100000746330 [0,1,0,1,0,0|1,0,1]=4 16963 B12R1.37 OCCCCCOC1CCCC1 7a_100000210269_100000746330 [0,1,0,1,0,0|1,0,1]=4 16964 B12R1.37 OCCCCCOC1CCCO1 34a_100000085407_100000746330 [0,1,0,1,0,0|0,0,2]=4 16965 B12R1.37 [13CH3]OCCCCOC1CCCO1 34a_100011018183_200025704644 [0,1,0,1,0,0|0,0,2]=4 16966 B12R1.37 [13CH3]OCCCCOC1CCCO1 7a_100011018183_200025704644 [0,1,0,1,0,0|0,0,2]=4 16967 B12R1.51 C#CCC(=O)COC1CCCC1 1458a_100000741352_100000184674 [0,1,0,1,0,0|0,0,2]=4 16968 B12R1.51 C=CCC(=O)COC1CCCC1 1458a_100000741352_100000210623 [0,1,0,1,0,0|0,0,2]=4 16969 B12R1.51 CCCC(=NNC1CCCC1)C 4a_100000737850_100000211909 [0,1,0,1,0,0|2,0,0]=4 16970 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,1,0,1,0,0|1,0,0]=3 16971 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,1,0,1,0,0|1,0,0]=3 16972 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [0,1,0,1,0,0|1,0,0]=3 16973 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000082924_100000210303 [0,1,0,1,0,0|2,0,0]=4 16974 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000211992_100000740749 [0,1,0,1,0,0|2,0,0]=4 16975 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000211992_100000004467 [0,1,0,1,0,0|1,0,0]=3 16976 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000738983_100000210303 [0,1,0,1,0,0|1,0,0]=3 16977 B12R1.51 CCCC(=O)CCN1CCCO1 1458a_200015187630_100000210303 [0,1,0,1,0,0|2,0,0]=4 16978 B12R1.51 CCCC(=O)CNC1CCCC1 2230a_100000211070_100000747444 [0,1,0,1,0,0|1,0,0]=3 16979 B12R1.51 CCCC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747444 [0,1,0,1,0,0|2,0,0]=4 16980 B12R1.51 CCCC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747444 [0,1,0,1,0,0|2,0,0]=4 16981 B12R1.51 CCCC(=O)COC1CCCC1 1458a_100000741352_100000210303 [0,1,0,1,0,0|0,0,0]=2 16982 B12R1.51 CCCC(=O)COC1CCCC1 7a_100000210269_100000747444 [0,1,0,1,0,0|0,0,0]=2 16983 B12R1.51 CCCC(=O)COC1CCSC1 7a_100011232664_100000747444 [0,1,0,1,0,0|1,0,0]=3 16984 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100000747444_100000179811 [0,1,0,1,0,0|0,1,0]=3 16985 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100011217020_100000747444 [0,1,0,1,0,0|0,1,0]=3 16986 B12R1.51 CCCC(=O)CSC1CCOC1 62a_100000747444_100000690089 [0,1,0,1,0,0|1,1,0]=4 16987 B12R1.51 CCCC(=O)NCC1CCCC1 11a_100000737975_100000211992 [0,1,0,1,0,0|1,0,0]=3 16988 B12R1.51 CCCC(=O)NCC1CCCC1 1626a_100000737975_100000211992 [0,1,0,1,0,0|1,0,0]=3 16989 B12R1.51 CCCC(=O)NCC1CCCC1 240690a_100000737975_100000211992 [0,1,0,1,0,0|1,0,0]=3 16990 B12R1.51 CCCC(=O)NCC1CCCC1 527a_100000737975_100000211992 [0,1,0,1,0,0|1,0,0]=3 16991 B12R1.51 CCCC(=O)NCC1CCOC1 11a_100000737293_100000211992 [0,1,0,1,0,0|1,0,0]=3 16992 B12R1.51 CCCC(=O)NCC1CCOC1 1626a_100000737293_100000211992 [0,1,0,1,0,0|1,0,0]=3 16993 B12R1.51 CCCC(=O)NCC1CCOC1 240690a_100000737293_100000211992 [0,1,0,1,0,0|1,0,0]=3 16994 B12R1.51 CCCC(=O)NCC1CCOC1 527a_100000737293_100000211992 [0,1,0,1,0,0|1,0,0]=3 16995 B12R1.51 CCCC(=O)NCC1OCCO1 11a_100000036311_100000211992 [0,1,0,1,0,0|2,0,0]=4 16996 B12R1.51 CCCC(=O)NCC1OCCO1 1626a_100000036311_100000211992 [0,1,0,1,0,0|2,0,0]=4 16997 B12R1.51 CCCC(=O)NCC1OCCO1 527a_100000036311_100000211992 [0,1,0,1,0,0|2,0,0]=4 16998 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000211992 [0,1,0,1,0,0|1,0,0]=3 16999 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000211992 [0,1,0,1,0,0|1,0,0]=3 17000 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000211992 [0,1,0,1,0,0|1,0,0]=3 17001 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000211992 [0,1,0,1,0,0|1,0,0]=3 17002 B12R1.51 CCCC(=O)NN=C1CCCC1 4a_100000189770_100000210133 [0,1,0,1,0,0|1,0,1]=4 17003 B12R1.51 CCCC(=O)NNC1CCCC1 22a_100000737850_100000211992 [0,1,0,1,0,0|1,0,0]=3 17004 B12R1.51 CCCC(=O)NNC1CCOC1 22a_100000690549_100000211992 [0,1,0,1,0,0|2,0,0]=4 17005 B12R1.51 CCCC(=O)NNC1CCSC1 22a_200000731317_100000211992 [0,1,0,1,0,0|2,0,0]=4 17006 B12R1.51 CCCC(=O)OCN1CC=CC1 269982a_100015195280_100000034017 [0,1,0,1,0,0|0,0,2]=4 17007 B12R1.51 CCCC(=O)OCN1CCCC1 2230a_100000188435_100000034017 [0,1,0,1,0,0|0,0,0]=2 17008 B12R1.51 CCCC(=O)OCN1CCCC1 269982a_100000188435_100000034017 [0,1,0,1,0,0|0,0,0]=2 17009 B12R1.51 CCCC(=O)OCN1CCSC1 2230a_100011215254_100000034017 [0,1,0,1,0,0|1,0,0]=3 17010 B12R1.51 CCCC(=O)OCN1CCSC1 269982a_100011215254_100000034017 [0,1,0,1,0,0|1,0,0]=3 17011 B12R1.51 CCCC(C)COC1CCCC1 34a_100000210269_100011216630 [0,1,0,1,0,0|1,0,1]=4 17012 B12R1.51 CCCC(C)COC1CCCC1 34a_100000688023_100000179811 [0,1,0,1,0,0|1,0,1]=4 17013 B12R1.51 CCCC(C)COC1CCCC1 7a_100000210269_100011216630 [0,1,0,1,0,0|1,0,1]=4 17014 B12R1.51 CCCC(C)COC1CCCC1 7a_100000688023_100000179811 [0,1,0,1,0,0|1,0,1]=4 17015 B12R1.51 CCCC(C)COC1CCCO1 34a_100000085407_100011216630 [0,1,0,1,0,0|0,0,2]=4 17016 B12R1.51 CCCC(C)OCC1CCCC1 34a_100000742336_100000766640 [0,1,0,1,0,0|1,0,1]=4 17017 B12R1.51 CCCC(C)OCC1CCCC1 34a_100000764384_100000740388 [0,1,0,1,0,0|1,0,1]=4 17018 B12R1.51 CCCC(C)OCC1CCCC1 7a_100000742336_100000766640 [0,1,0,1,0,0|1,0,1]=4 17019 B12R1.51 CCCC(C)OCC1CCCC1 7a_100000764384_100000740388 [0,1,0,1,0,0|1,0,1]=4 17020 B12R1.51 CCCC(C)OCC1CCCO1 34a_100000210270_100000766640 [0,1,0,1,0,0|1,0,1]=4 17021 B12R1.51 CCCC(C)OCC1CCCO1 7a_100000210270_100000766640 [0,1,0,1,0,0|1,0,1]=4 17022 B12R1.51 CCCC(C)OCC1CCCO1 7a_100000764384_100000203698 [0,1,0,1,0,0|1,0,1]=4 17023 B12R1.51 CCCC(C)OCC1CCNC1 34a_100000748654_100000766640 [0,1,0,1,0,0|1,0,1]=4 17024 B12R1.51 CCCC(C)OCC1CCOC1 34a_100000740260_100000766640 [0,1,0,1,0,0|1,0,1]=4 17025 B12R1.51 CCCC(C)OCC1CCOC1 34a_100000764384_100011261433 [0,1,0,1,0,0|1,0,1]=4 17026 B12R1.51 CCCC(C)OCC1CCOC1 7a_100000764384_100000702531 [0,1,0,1,0,0|1,0,1]=4 17027 B12R1.51 CCCC(C)OC[C@H]1CCCN1 34a_100000745186_100000766640 [0,1,0,1,0,0|1,0,1]=4 17028 B12R1.51 CCC[C@H](N)COC1CCCC1 34a_100000732646_100000179811 [0,1,0,1,0,0|1,0,1]=4 17029 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [0,1,0,1,0,0|2,0,0]=4 17030 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [0,1,0,1,0,0|2,0,0]=4 17031 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [0,1,0,1,0,0|2,0,0]=4 17032 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [0,1,0,1,0,0|2,0,0]=4 17033 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [0,1,0,1,0,0|2,0,0]=4 17034 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [0,1,0,1,0,0|2,0,0]=4 17035 B12R1.51 CCNC(=O)CCN1CCCC1 2230a_100000188435_100000737597 [0,1,0,1,0,0|2,0,0]=4 17036 B12R1.51 CCNC(=O)CCN1CCCC1 240690a_100015525214_100000738983 [0,1,0,1,0,0|2,0,0]=4 17037 B12R1.51 CCNC(=O)CCN1CCCC1 269982a_100000188435_100000737597 [0,1,0,1,0,0|2,0,0]=4 17038 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100000211070_100000183381 [0,1,0,1,0,0|2,0,0]=4 17039 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100016988866_100000179811 [0,1,0,1,0,0|2,0,0]=4 17040 B12R1.51 CCNC(=O)CNC1CCCC1 270004a_100016988866_100000210133 [0,1,0,1,0,0|2,0,0]=4 17041 B12R1.51 CCNC(=O)CNC1CCCC1 34a_100000211070_100000183381 [0,1,0,1,0,0|2,0,0]=4 17042 B12R1.51 CCNC(=O)COC1CCCC1 11a_100015525214_100000741352 [0,1,0,1,0,0|1,0,0]=3 17043 B12R1.51 CCNC(=O)COC1CCCC1 240690a_100015525214_100000741352 [0,1,0,1,0,0|1,0,0]=3 17044 B12R1.51 CCNC(=O)COC1CCCC1 34a_100000210269_100000183381 [0,1,0,1,0,0|1,0,0]=3 17045 B12R1.51 CCNC(=O)COC1CCCC1 527a_100015525214_100000741352 [0,1,0,1,0,0|1,0,0]=3 17046 B12R1.51 CCNC(=O)COC1CCCC1 7a_100000210269_100000183381 [0,1,0,1,0,0|1,0,0]=3 17047 B12R1.51 CCNC(=O)COC1CCCO1 34a_100000085407_100000183381 [0,1,0,1,0,0|2,0,0]=4 17048 B12R1.51 CCNC(=O)COC1CCSC1 7a_100011232664_100000183381 [0,1,0,1,0,0|2,0,0]=4 17049 B12R1.51 CCNC(=O)CO[C@H]1CCOC1 34a_100000717292_100000183381 [0,1,0,1,0,0|2,0,0]=4 17050 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100000183381_100000179811 [0,1,0,1,0,0|1,1,0]=4 17051 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100011217020_100000183381 [0,1,0,1,0,0|1,1,0]=4 17052 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100000737975_100015525214 [0,1,0,1,0,0|2,0,0]=4 17053 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100015525214_100000737975 [0,1,0,1,0,0|2,0,0]=4 17054 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100000737975_100015525214 [0,1,0,1,0,0|2,0,0]=4 17055 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100015525214_100000737975 [0,1,0,1,0,0|2,0,0]=4 17056 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100000737975_100015525214 [0,1,0,1,0,0|2,0,0]=4 17057 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100015525214_100000737975 [0,1,0,1,0,0|2,0,0]=4 17058 B12R1.51 CCNC(=O)NCC1CCOC1 2708a_100000737293_100015525214 [0,1,0,1,0,0|2,0,0]=4 17059 B12R1.51 CCNC(=O)NCC1CCOC1 2708a_100015525214_100000737293 [0,1,0,1,0,0|2,0,0]=4 17060 B12R1.51 CCNC(=O)NCC1CCOC1 273464a_100000737293_100015525214 [0,1,0,1,0,0|2,0,0]=4 17061 B12R1.51 CCNC(=O)NCC1CCOC1 273464a_100015525214_100000737293 [0,1,0,1,0,0|2,0,0]=4 17062 B12R1.51 CCNC(=O)NCC1CCOC1 512a_100000737293_100015525214 [0,1,0,1,0,0|2,0,0]=4 17063 B12R1.51 CCNC(=O)NCC1CCOC1 512a_100015525214_100000737293 [0,1,0,1,0,0|2,0,0]=4 17064 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100015525214_100020590478 [0,1,0,1,0,0|2,0,0]=4 17065 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_100015525214 [0,1,0,1,0,0|2,0,0]=4 17066 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100015525214_100020590478 [0,1,0,1,0,0|2,0,0]=4 17067 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100015525214 [0,1,0,1,0,0|2,0,0]=4 17068 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100015525214 [0,1,0,1,0,0|2,0,0]=4 17069 B12R1.51 CCNC(=O)NNC1CCCC1 273464a_100015525214_100000737850 [0,1,0,1,0,0|2,0,0]=4 17070 B12R1.51 CCNC(=O)NNC1CCCC1 512a_100015525214_100000737850 [0,1,0,1,0,0|2,0,0]=4 17071 B12R1.51 CCOC(=O)CCN1CCCC1 2230a_100000188435_100011206558 [0,1,0,1,0,0|2,0,0]=4 17072 B12R1.51 CCOC(=O)CCN1CCCC1 269982a_100000188435_100011206558 [0,1,0,1,0,0|2,0,0]=4 17073 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [0,1,0,1,0,0|2,0,0]=4 17074 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [0,1,0,1,0,0|2,0,0]=4 17075 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [0,1,0,1,0,0|1,0,0]=3 17076 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [0,1,0,1,0,0|1,0,0]=3 17077 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [0,1,0,1,0,0|2,0,0]=4 17078 B12R1.51 CCOC(=O)COC1CCSC1 7a_100011232664_100000188475 [0,1,0,1,0,0|2,0,0]=4 17079 B12R1.51 CCOC(=O)CO[C@H]1CCOC1 34a_100000717292_100000188475 [0,1,0,1,0,0|2,0,0]=4 17080 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [0,1,0,1,0,0|1,1,0]=4 17081 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [0,1,0,1,0,0|1,1,0]=4 17082 B12R1.51 CNCC(=O)NCC1CCCO1 2230a_106832991635_100000182893 [0,1,0,1,0,0|2,0,0]=4 17083 B12R1.51 CNCC(=O)NCC1CCCO1 7a_106832991635_100000182893 [0,1,0,1,0,0|2,0,0]=4 17084 B12R1.51 CNNC(=O)COC1CCCC1 22a_100016993582_100000741352 [0,1,0,1,0,0|2,0,0]=4 17085 B12R1.51 COCC(=O)CCC1CCCC1 1458a_100000210968_100000760354 [0,1,0,1,0,0|2,0,0]=4 17086 B12R1.51 COCC(=O)CCN1CCCC1 1458a_100000210968_100000004467 [0,1,0,1,0,0|2,0,0]=4 17087 B12R1.51 COCC(=O)NCC1CCCC1 11a_100000737975_100000210968 [0,1,0,1,0,0|2,0,0]=4 17088 B12R1.51 COCC(=O)NCC1CCCC1 1626a_100000737975_100000210968 [0,1,0,1,0,0|2,0,0]=4 17089 B12R1.51 COCC(=O)NCC1CCCC1 240690a_100000737975_100000210968 [0,1,0,1,0,0|2,0,0]=4 17090 B12R1.51 COCC(=O)NCC1CCCC1 527a_100000737975_100000210968 [0,1,0,1,0,0|2,0,0]=4 17091 B12R1.51 COCC(=O)NCC1CCOC1 11a_100000737293_100000210968 [0,1,0,1,0,0|2,0,0]=4 17092 B12R1.51 COCC(=O)NCC1CCOC1 1626a_100000737293_100000210968 [0,1,0,1,0,0|2,0,0]=4 17093 B12R1.51 COCC(=O)NCC1CCOC1 240690a_100000737293_100000210968 [0,1,0,1,0,0|2,0,0]=4 17094 B12R1.51 COCC(=O)NCC1CCOC1 527a_100000737293_100000210968 [0,1,0,1,0,0|2,0,0]=4 17095 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210968 [0,1,0,1,0,0|2,0,0]=4 17096 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210968 [0,1,0,1,0,0|2,0,0]=4 17097 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210968 [0,1,0,1,0,0|2,0,0]=4 17098 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210968 [0,1,0,1,0,0|2,0,0]=4 17099 B12R1.51 COCC(=O)NNC1CCCC1 22a_100000737850_100000210968 [0,1,0,1,0,0|2,0,0]=4 17100 B12R1.51 CSCC(=O)CCC1CCCC1 1458a_100000184570_100000760354 [0,1,0,1,0,0|2,0,0]=4 17101 B12R1.51 CSCC(=O)CCN1CCCC1 1458a_100000184570_100000004467 [0,1,0,1,0,0|2,0,0]=4 17102 B12R1.51 CSCC(=O)NCC1CCCC1 11a_100000737975_100000184570 [0,1,0,1,0,0|2,0,0]=4 17103 B12R1.51 CSCC(=O)NCC1CCCC1 1626a_100000737975_100000184570 [0,1,0,1,0,0|2,0,0]=4 17104 B12R1.51 CSCC(=O)NCC1CCCC1 240690a_100000737975_100000184570 [0,1,0,1,0,0|2,0,0]=4 17105 B12R1.51 CSCC(=O)NCC1CCCC1 527a_100000737975_100000184570 [0,1,0,1,0,0|2,0,0]=4 17106 B12R1.51 CSCC(=O)NCC1CCCO1 62a_100000182893_200000210301 [0,1,0,1,0,0|2,0,0]=4 17107 B12R1.51 CSCC(=O)NCC1CCCO1 62a_200000210301_100000182893 [0,1,0,1,0,0|2,0,0]=4 17108 B12R1.51 CSCC(=O)NCC1CCOC1 11a_100000737293_100000184570 [0,1,0,1,0,0|2,0,0]=4 17109 B12R1.51 CSCC(=O)NCC1CCOC1 1626a_100000737293_100000184570 [0,1,0,1,0,0|2,0,0]=4 17110 B12R1.51 CSCC(=O)NCC1CCOC1 240690a_100000737293_100000184570 [0,1,0,1,0,0|2,0,0]=4 17111 B12R1.51 CSCC(=O)NCC1CCOC1 527a_100000737293_100000184570 [0,1,0,1,0,0|2,0,0]=4 17112 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000184570 [0,1,0,1,0,0|2,0,0]=4 17113 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000184570 [0,1,0,1,0,0|2,0,0]=4 17114 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000184570 [0,1,0,1,0,0|2,0,0]=4 17115 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000184570 [0,1,0,1,0,0|2,0,0]=4 17116 B12R1.51 CSCC(=O)NNC1CCCC1 22a_100000737850_100000184570 [0,1,0,1,0,0|2,0,0]=4 17117 B12R1.51 N#CCC(=O)COC1CCCC1 1458a_100000741352_100011214920 [0,1,0,1,0,0|1,0,1]=4 17118 B12R1.51 O=C(CCF)CCC1CCCC1 1458a_100000211120_100011217306 [0,1,0,1,0,0|2,0,0]=4 17119 B12R1.51 O=C(CCF)CCC1CCCO1 1458a_100011247709_100011217306 [0,1,0,1,0,0|2,0,0]=4 17120 B12R1.51 O=C(CCF)CCN1CCCC1 1458a_100000738983_100011217306 [0,1,0,1,0,0|2,0,0]=4 17121 B12R1.51 O=C(CCF)COC1CCCC1 1458a_100000741352_100011217306 [0,1,0,1,0,0|1,0,0]=3 17122 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100000211120_100000211926 [0,1,0,1,0,0|2,0,0]=4 17123 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100011216618_100000760354 [0,1,0,1,0,0|2,0,0]=4 17124 B12R1.51 O=C(CCO)CCC1CCCO1 1458a_100011247709_100000211926 [0,1,0,1,0,0|2,0,0]=4 17125 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100000738983_100000211926 [0,1,0,1,0,0|2,0,0]=4 17126 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100011216618_100000004467 [0,1,0,1,0,0|2,0,0]=4 17127 B12R1.51 O=C(CCO)COC1CCCC1 1458a_100000741352_100000211926 [0,1,0,1,0,0|1,0,0]=3 17128 B12R1.51 O=C(CCO)NCC1CCCC1 240690a_100000737975_100011216618 [0,1,0,1,0,0|2,0,0]=4 17129 B12R1.51 O=C(CCO)NCC1CCOC1 240690a_100000737293_100011216618 [0,1,0,1,0,0|2,0,0]=4 17130 B12R1.51 O=C(CCO)NC[C@@H]1CCCO1 240690a_100020590478_100011216618 [0,1,0,1,0,0|2,0,0]=4 17131 B12R1.51 O=C(CCO)NNC1CCCC1 22a_100000737850_100011216618 [0,1,0,1,0,0|2,0,0]=4 17132 B12R1.51 O=C(COC1CCCC1)NCO 34a_100000210269_100000185155 [0,1,0,1,0,0|2,0,0]=4 17133 B12R1.51 O=C(COC1CCCC1)NCO 7a_100000210269_100000185155 [0,1,0,1,0,0|2,0,0]=4 17134 B12R1.51 [13CH3]SCC(=O)NCC1CCCO1 62a_100000182893_200025704644 [0,1,0,1,0,0|2,0,0]=4 17135 B12R1.51 [13CH3]SCC(=O)NCC1CCCO1 62a_200025704644_100000182893 [0,1,0,1,0,0|2,0,0]=4 17136 B12R1.308 CC1CCCCC1C(=O)CCF 1458a_100011215568_100011217306 [0,1,0,1,0,0|2,0,0]=4 17137 B12R1.308 CC1CCCCC1C(=O)CCO 1458a_100011215568_100000211926 [0,1,0,1,0,0|2,0,0]=4 17138 B12R1.308 CC1CCCCN1C(=O)CCO 240690a_100000211376_100011216618 [0,1,0,1,0,0|2,0,0]=4 17139 B12R1.308 CC1CCCCN1C(=O)CS[13CH3] 62a_100000182743_200025704644 [0,1,0,1,0,0|2,0,0]=4 17140 B12R1.308 CC1CCCCN1C(=O)CS[13CH3] 62a_200025704644_100000182743 [0,1,0,1,0,0|2,0,0]=4 17141 B12R1.308 CCCC(=O)C1=C(OCCO1)C 1458a_100000068647_100000210303 [0,1,0,1,0,0|1,0,1]=4 17142 B12R1.308 CCCC(=O)C1CCCCC1=O 1458a_100000211992_100000204591 [0,1,0,1,0,0|1,0,1]=4 17143 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,1,0,1,0,0|1,0,0]=3 17144 B12R1.308 CCCC(=O)C1CCCCC1O 1458a_100011803323_100000210303 [0,1,0,1,0,0|1,0,0]=3 17145 B12R1.308 CCCC(=O)N1CCCCC1C 11a_100000211376_100000211992 [0,1,0,1,0,0|1,0,0]=3 17146 B12R1.308 CCCC(=O)N1CCCCC1C 1626a_100000211376_100000211992 [0,1,0,1,0,0|1,0,0]=3 17147 B12R1.308 CCCC(=O)N1CCCCC1C 240690a_100000211376_100000211992 [0,1,0,1,0,0|1,0,0]=3 17148 B12R1.308 CCCC(=O)N1CCCCC1C 527a_100000211376_100000211992 [0,1,0,1,0,0|1,0,0]=3 17149 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000211992 [0,1,0,1,0,0|1,0,0]=3 17150 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000211992 [0,1,0,1,0,0|1,0,0]=3 17151 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000211992 [0,1,0,1,0,0|1,0,0]=3 17152 B12R1.308 CCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210303 [0,1,0,1,0,0|1,0,0]=3 17153 B12R1.308 CCNC(=O)C1CCCCC1C 11a_100015525214_100011215568 [0,1,0,1,0,0|2,0,0]=4 17154 B12R1.308 CCNC(=O)C1CCCCC1C 240690a_100015525214_100011215568 [0,1,0,1,0,0|2,0,0]=4 17155 B12R1.308 CCNC(=O)C1CCCCC1C 527a_100015525214_100011215568 [0,1,0,1,0,0|2,0,0]=4 17156 B12R1.308 CCNC(=O)N1CCCCC1C 2708a_100015525214_100000211376 [0,1,0,1,0,0|2,0,0]=4 17157 B12R1.308 CCNC(=O)N1CCCCC1C 273464a_100015525214_100000211376 [0,1,0,1,0,0|2,0,0]=4 17158 B12R1.308 CCNC(=O)N1CCOC[C@@H]1C 2708a_100015525214_100009815349 [0,1,0,1,0,0|2,0,0]=4 17159 B12R1.308 CCNC(=O)N1CCOC[C@@H]1C 273464a_100015525214_100009815349 [0,1,0,1,0,0|2,0,0]=4 17160 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 11a_100015525214_100000767060 [0,1,0,1,0,0|2,0,0]=4 17161 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 240690a_100015525214_100000767060 [0,1,0,1,0,0|2,0,0]=4 17162 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 527a_100015525214_100000767060 [0,1,0,1,0,0|2,0,0]=4 17163 B12R1.308 CCOC(=O)C1CCCCN1C 2230a_100016990872_200000210301 [0,1,0,1,0,0|2,0,0]=4 17164 B12R1.308 CCOC(=O)C1CCCCN1C 269982a_100016990872_200000210301 [0,1,0,1,0,0|2,0,0]=4 17165 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 2230a_100016990872_200025704644 [0,1,0,1,0,0|2,0,0]=4 17166 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 269982a_100016990872_200025704644 [0,1,0,1,0,0|2,0,0]=4 17167 B12R1.308 CN1CCCC[C@@H]1C(=O)CCF 1458a_100000767060_100011217306 [0,1,0,1,0,0|2,0,0]=4 17168 B12R1.308 CN1CCCC[C@@H]1C(=O)CCO 1458a_100000767060_100000211926 [0,1,0,1,0,0|2,0,0]=4 17169 B12R1.308 CNCC(=O)N1CCCCC1C 2230a_106832991635_100000182743 [0,1,0,1,0,0|2,0,0]=4 17170 B12R1.308 CNCC(=O)N1CCCCC1C 34a_100102657272_100000182743 [0,1,0,1,0,0|2,0,0]=4 17171 B12R1.308 CNCC(=O)N1CCCCC1C 7a_106832991635_100000182743 [0,1,0,1,0,0|2,0,0]=4 17172 B12R1.308 COCC(=O)N1CCCCC1C 11a_100000211376_100000210968 [0,1,0,1,0,0|2,0,0]=4 17173 B12R1.308 COCC(=O)N1CCCCC1C 1626a_100000211376_100000210968 [0,1,0,1,0,0|2,0,0]=4 17174 B12R1.308 COCC(=O)N1CCCCC1C 240690a_100000211376_100000210968 [0,1,0,1,0,0|2,0,0]=4 17175 B12R1.308 COCC(=O)N1CCCCC1C 34a_100138415774_100000182743 [0,1,0,1,0,0|2,0,0]=4 17176 B12R1.308 COCC(=O)N1CCCCC1C 527a_100000211376_100000210968 [0,1,0,1,0,0|2,0,0]=4 17177 B12R1.308 COCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000210968 [0,1,0,1,0,0|2,0,0]=4 17178 B12R1.308 COCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000210968 [0,1,0,1,0,0|2,0,0]=4 17179 B12R1.308 COCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000210968 [0,1,0,1,0,0|2,0,0]=4 17180 B12R1.308 CSCC(=O)N1CCCCC1C 11a_100000211376_100000184570 [0,1,0,1,0,0|2,0,0]=4 17181 B12R1.308 CSCC(=O)N1CCCCC1C 1626a_100000211376_100000184570 [0,1,0,1,0,0|2,0,0]=4 17182 B12R1.308 CSCC(=O)N1CCCCC1C 240690a_100000211376_100000184570 [0,1,0,1,0,0|2,0,0]=4 17183 B12R1.308 CSCC(=O)N1CCCCC1C 527a_100000211376_100000184570 [0,1,0,1,0,0|2,0,0]=4 17184 B12R1.308 CSCC(=O)N1CCCCC1C 62a_100000182743_200000210301 [0,1,0,1,0,0|2,0,0]=4 17185 B12R1.308 CSCC(=O)N1CCCCC1C 62a_200000210301_100000182743 [0,1,0,1,0,0|2,0,0]=4 17186 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000184570 [0,1,0,1,0,0|2,0,0]=4 17187 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000184570 [0,1,0,1,0,0|2,0,0]=4 17188 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000184570 [0,1,0,1,0,0|2,0,0]=4 17189 B12R1.308 C[C@H]1COCCN1C(=O)CCO 240690a_100009815349_100011216618 [0,1,0,1,0,0|2,0,0]=4 17190 B12R1.308 O=C(CCF)C1CCCCC1O 1458a_100011803323_100011217306 [0,1,0,1,0,0|2,0,0]=4 17191 B12R1.308 O=C(CCO)C1CCCCC1O 1458a_100011803323_100000211926 [0,1,0,1,0,0|2,0,0]=4 17192 B12R1.310 CCCC(=O)COCCC1CC1 7a_100000754188_100000747444 [0,1,0,1,0,0|0,0,0]=2 17193 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000747444_100000764125 [0,1,0,1,0,0|0,1,0]=3 17194 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000764125_100000747444 [0,1,0,1,0,0|0,1,0]=3 17195 B12R1.310 CCCC(=O)CSCCC1CO1 62a_100000732470_100000747444 [0,1,0,1,0,0|1,1,0]=4 17196 B12R1.310 CCCC(=O)CSCCC1CO1 62a_100000747444_100000732470 [0,1,0,1,0,0|1,1,0]=4 17197 B12R1.310 CCCC(=O)OCNCC1CC1 2230a_100000735609_100000034017 [0,1,0,1,0,0|0,0,0]=2 17198 B12R1.310 CCCC(=O)OCNCC1CC1 34a_100000735609_100000034017 [0,1,0,1,0,0|0,0,0]=2 17199 B12R1.310 CCCC(=O)OCOCC1CC1 34a_100000211283_100000034017 [0,1,0,1,0,0|0,0,0]=2 17200 B12R1.310 CCCC(=O)OCOC[C@@H]1CO1 34a_100000757423_100000034017 [0,1,0,1,0,0|1,0,0]=3 17201 B12R1.310 CCCC(=O)OCSCC1CC1 62a_100000756562_100000034017 [0,1,0,1,0,0|0,0,0]=2 17202 B12R1.310 CCCC(=O)OCSCC1CO1 62a_102125554688_100000034017 [0,1,0,1,0,0|1,0,0]=3 17203 B12R1.310 CCCC(=O)OCSCC1CS1 62a_100000031435_100000034017 [0,1,0,1,0,0|1,0,0]=3 17204 B12R1.310 CCCC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000034017 [0,1,0,1,0,0|1,0,0]=3 17205 B12R1.310 CCCC(C)COCCC1CC1 34a_100000688023_100000694398 [0,1,0,1,0,0|1,0,1]=4 17206 B12R1.310 CCCC(C)COCCC1CC1 34a_100000754188_100011216630 [0,1,0,1,0,0|1,0,1]=4 17207 B12R1.310 CCCC(C)COCCC1CC1 7a_100000688023_100000764125 [0,1,0,1,0,0|1,0,1]=4 17208 B12R1.310 CCCC(C)COCCC1CC1 7a_100000754188_100011216630 [0,1,0,1,0,0|1,0,1]=4 17209 B12R1.310 CCCC(C)OCCCC1CO1 34a_100000764384_100000733510 [0,1,0,1,0,0|1,0,1]=4 17210 B12R1.310 CCCC(C)OCCCC1CO1 7a_100000764384_100000733510 [0,1,0,1,0,0|1,0,1]=4 17211 B12R1.310 CCCC(C)OCCNC1CC1 34a_100000738766_100000766640 [0,1,0,1,0,0|1,0,1]=4 17212 B12R1.310 CCC[C@H](N)COCCC1CC1 34a_100000732646_100000694398 [0,1,0,1,0,0|1,0,1]=4 17213 B12R1.310 CCNC(=O)CCNCC1CC1 2230a_100000735609_100000737597 [0,1,0,1,0,0|2,0,0]=4 17214 B12R1.310 CCNC(=O)CCNCC1CC1 269862a_100025743525_100000741477 [0,1,0,1,0,0|2,0,0]=4 17215 B12R1.310 CCNC(=O)CCNCC1CC1 34a_100025743525_100000742324 [0,1,0,1,0,0|2,0,0]=4 17216 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000737597_100000742324 [0,1,0,1,0,0|2,0,0]=4 17217 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000756562_100000737597 [0,1,0,1,0,0|2,0,0]=4 17218 B12R1.310 CCNC(=O)CNCCC1CC1 2230a_100016988866_100000694398 [0,1,0,1,0,0|2,0,0]=4 17219 B12R1.310 CCNC(=O)CNCCC1CC1 34a_100000764129_100000183381 [0,1,0,1,0,0|2,0,0]=4 17220 B12R1.310 CCNC(=O)COCCC1CC1 34a_100000754188_100000183381 [0,1,0,1,0,0|1,0,0]=3 17221 B12R1.310 CCNC(=O)COCCC1CC1 7a_100000754188_100000183381 [0,1,0,1,0,0|1,0,0]=3 17222 B12R1.310 CCNC(=O)COCC[C@@H]1CO1 34a_100009820653_100000183381 [0,1,0,1,0,0|2,0,0]=4 17223 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000183381_100000764125 [0,1,0,1,0,0|1,1,0]=4 17224 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000764125_100000183381 [0,1,0,1,0,0|1,1,0]=4 17225 B12R1.310 CCOC(=O)CCCNC1CC1 34a_100000212008_100009991533 [0,1,0,1,0,0|2,0,0]=4 17226 B12R1.310 CCOC(=O)CCCSC1CC1 62a_100009991533_100000211595 [0,1,0,1,0,0|2,0,0]=4 17227 B12R1.310 CCOC(=O)CCNCC1CC1 2230a_100000735609_100011206558 [0,1,0,1,0,0|2,0,0]=4 17228 B12R1.310 CCOC(=O)CCNCC1CC1 34a_100000735609_100000765890 [0,1,0,1,0,0|2,0,0]=4 17229 B12R1.310 CCOC(=O)CCOCC1CC1 34a_100000211283_100000765890 [0,1,0,1,0,0|2,0,0]=4 17230 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000756562_100000765890 [0,1,0,1,0,0|2,0,0]=4 17231 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000765890_100000742324 [0,1,0,1,0,0|2,0,0]=4 17232 B12R1.310 CCOC(=O)CNCCC1CC1 34a_100000764129_100000188475 [0,1,0,1,0,0|2,0,0]=4 17233 B12R1.310 CCOC(=O)COCCC1CC1 34a_100000754188_100000188475 [0,1,0,1,0,0|1,0,0]=3 17234 B12R1.310 CCOC(=O)COCCC1CC1 7a_100000754188_100000188475 [0,1,0,1,0,0|1,0,0]=3 17235 B12R1.310 CCOC(=O)COCC[C@@H]1CO1 34a_100009820653_100000188475 [0,1,0,1,0,0|2,0,0]=4 17236 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000188475_100000764125 [0,1,0,1,0,0|1,1,0]=4 17237 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000764125_100000188475 [0,1,0,1,0,0|1,1,0]=4 17238 B12R1.310 CCOC(=O)NCCOC1CC1 34a_100000158857_100000211595 [0,1,0,1,0,0|2,0,0]=4 17239 B12R1.310 CCOC(=O)OCSCC1CC1 62a_100000756562_100000075025 [0,1,0,1,0,0|1,0,0]=3 17240 B12R1.310 CCOC(=O)OCSCC1CO1 62a_102125554688_100000075025 [0,1,0,1,0,0|2,0,0]=4 17241 B12R1.310 CCOC(=O)OCSCC1CS1 62a_100000031435_100000075025 [0,1,0,1,0,0|2,0,0]=4 17242 B12R1.310 CCOC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000075025 [0,1,0,1,0,0|2,0,0]=4 17243 B12R1.310 O=C(COCCC1CC1)NCO 34a_100000754188_100000185155 [0,1,0,1,0,0|2,0,0]=4 17244 B12R1.310 O=C(COCCC1CC1)NCO 7a_100000754188_100000185155 [0,1,0,1,0,0|2,0,0]=4 17245 B12R1.311 CCCC(=O)CCC1CCC1=O 1458a_100000211992_200016118888 [0,1,0,1,0,0|1,0,1]=4 17246 B12R1.311 CCCC(=O)OCN1CCC1C 269982a_100000755817_100000034017 [0,1,0,1,0,0|0,0,0]=2 17247 B12R1.311 CCCC(=O)OCN1CCC1C 34a_100000755817_100000034017 [0,1,0,1,0,0|0,0,0]=2 17248 B12R1.311 CCNC(=O)CCN1CCC1C 269982a_100000755817_100000737597 [0,1,0,1,0,0|2,0,0]=4 17249 B12R1.311 CCOC(=O)CCN1CCC1C 269982a_100000755817_100011206558 [0,1,0,1,0,0|2,0,0]=4 17250 B12R1.311 CCOC(=O)CCN1CCC1C 34a_100000755817_100000765890 [0,1,0,1,0,0|2,0,0]=4 17251 B12R1.315 CCCC(=NNCC1CCC1)C 4a_200020586977_100000211909 [0,1,0,1,0,0|2,0,0]=4 17252 B12R1.315 CCCC(=O)CNCC1CCC1 2230a_100000738700_100000747444 [0,1,0,1,0,0|1,0,0]=3 17253 B12R1.315 CCCC(=O)CNCC1COC1 2230a_100015281925_100000747444 [0,1,0,1,0,0|2,0,0]=4 17254 B12R1.315 CCCC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747444 [0,1,0,1,0,0|2,0,0]=4 17255 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000747444_100000763275 [0,1,0,1,0,0|0,1,0]=3 17256 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000763275_100000747444 [0,1,0,1,0,0|0,1,0]=3 17257 B12R1.315 CCCC(=O)CSCC1CCO1 62a_100000103362_100000747444 [0,1,0,1,0,0|1,1,0]=4 17258 B12R1.315 CCCC(=O)CSCC1CCO1 62a_100000747444_100000103362 [0,1,0,1,0,0|1,1,0]=4 17259 B12R1.315 CCCC(=O)CSCC1COC1 62a_100000747444_100010264016 [0,1,0,1,0,0|1,1,0]=4 17260 B12R1.315 CCCC(=O)CSCC1COC1 62a_100010264016_100000747444 [0,1,0,1,0,0|1,1,0]=4 17261 B12R1.315 CCCC(=O)NCCN1CCC1 240690a_100000691440_100000211992 [0,1,0,1,0,0|1,0,0]=3 17262 B12R1.315 CCCC(=O)NN=CC1CCC1 4a_100000189770_100000753134 [0,1,0,1,0,0|1,0,1]=4 17263 B12R1.315 CCCC(=O)NNCC1CCC1 22a_200020586977_100000211992 [0,1,0,1,0,0|1,0,0]=3 17264 B12R1.315 CCCC(=O)OCNC1CCC1 2230a_100000749019_100000034017 [0,1,0,1,0,0|0,0,0]=2 17265 B12R1.315 CCCC(=O)OCNC1CCC1 34a_100000749019_100000034017 [0,1,0,1,0,0|0,0,0]=2 17266 B12R1.315 CCCC(=O)OCNC1COC1 2230a_100016991112_100000034017 [0,1,0,1,0,0|1,0,0]=3 17267 B12R1.315 CCCC(=O)OCOC1CCC1 34a_100000748187_100000034017 [0,1,0,1,0,0|0,0,0]=2 17268 B12R1.315 CCCC(C)COCC1CCC1 34a_100000688023_100000763275 [0,1,0,1,0,0|1,0,1]=4 17269 B12R1.315 CCCC(C)COCC1CCC1 34a_100000760304_100011216630 [0,1,0,1,0,0|1,0,1]=4 17270 B12R1.315 CCCC(C)COCC1CCC1 7a_100000688023_100000763275 [0,1,0,1,0,0|1,0,1]=4 17271 B12R1.315 CCCC(C)OCCC1COC1 34a_100009855314_100000766640 [0,1,0,1,0,0|1,0,1]=4 17272 B12R1.315 CCC[C@H](N)COCC1CCC1 34a_100000732646_100000763275 [0,1,0,1,0,0|1,0,1]=4 17273 B12R1.315 CCNC(=O)CCNC1CCC1 2230a_100000749019_100000737597 [0,1,0,1,0,0|2,0,0]=4 17274 B12R1.315 CCNC(=O)CCNC1CCC1 270004a_100025743525_100000241760 [0,1,0,1,0,0|2,0,0]=4 17275 B12R1.315 CCNC(=O)CCNC1CCC1 34a_100025743525_100000749161 [0,1,0,1,0,0|2,0,0]=4 17276 B12R1.315 CCNC(=O)CCSC1CCC1 62a_100000737597_100000749161 [0,1,0,1,0,0|2,0,0]=4 17277 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100000738700_100000183381 [0,1,0,1,0,0|2,0,0]=4 17278 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100016988866_100000763275 [0,1,0,1,0,0|2,0,0]=4 17279 B12R1.315 CCNC(=O)CNCC1CCC1 34a_100000738700_100000183381 [0,1,0,1,0,0|2,0,0]=4 17280 B12R1.315 CCNC(=O)COCC1CCC1 34a_100000760304_100000183381 [0,1,0,1,0,0|1,0,0]=3 17281 B12R1.315 CCNC(=O)COCC1CCO1 34a_100000039022_100000183381 [0,1,0,1,0,0|2,0,0]=4 17282 B12R1.315 CCNC(=O)COCC1CNC1 34a_100016987283_100000183381 [0,1,0,1,0,0|2,0,0]=4 17283 B12R1.315 CCNC(=O)COCC1COC1 34a_100000060846_100000183381 [0,1,0,1,0,0|2,0,0]=4 17284 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000183381_100000763275 [0,1,0,1,0,0|1,1,0]=4 17285 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000763275_100000183381 [0,1,0,1,0,0|1,1,0]=4 17286 B12R1.315 CCNC(=O)NCCN1CCC1 2708a_100000691440_100015525214 [0,1,0,1,0,0|2,0,0]=4 17287 B12R1.315 CCNC(=O)NCCN1CCC1 2708a_100015525214_100000691440 [0,1,0,1,0,0|2,0,0]=4 17288 B12R1.315 CCNC(=O)NCCN1CCC1 273464a_100000691440_100015525214 [0,1,0,1,0,0|2,0,0]=4 17289 B12R1.315 CCNC(=O)NCCN1CCC1 273464a_100015525214_100000691440 [0,1,0,1,0,0|2,0,0]=4 17290 B12R1.315 CCNC(=O)NCCN1CCC1 512a_100015525214_100000691440 [0,1,0,1,0,0|2,0,0]=4 17291 B12R1.315 CCNC(=O)NNCC1CCC1 273464a_100015525214_200020586977 [0,1,0,1,0,0|2,0,0]=4 17292 B12R1.315 CCNC(=O)NNCC1CCC1 512a_100015525214_200020586977 [0,1,0,1,0,0|2,0,0]=4 17293 B12R1.315 CCNC(=O)NNCC1CCC1 512a_200020586977_100015525214 [0,1,0,1,0,0|2,0,0]=4 17294 B12R1.315 CCOC(=O)CCCN1CCC1 269982a_100000754969_100009991533 [0,1,0,1,0,0|2,0,0]=4 17295 B12R1.315 CCOC(=O)CCNC1CCC1 2230a_100000749019_100011206558 [0,1,0,1,0,0|2,0,0]=4 17296 B12R1.315 CCOC(=O)CCNC1CCC1 34a_100000749019_100000765890 [0,1,0,1,0,0|2,0,0]=4 17297 B12R1.315 CCOC(=O)CCOC1CCC1 34a_100000748187_100000765890 [0,1,0,1,0,0|2,0,0]=4 17298 B12R1.315 CCOC(=O)CCSC1CCC1 62a_100000765890_100000749161 [0,1,0,1,0,0|2,0,0]=4 17299 B12R1.315 CCOC(=O)CNCC1CCC1 2230a_100000738700_100000188475 [0,1,0,1,0,0|2,0,0]=4 17300 B12R1.315 CCOC(=O)CNCC1CCC1 34a_100000738700_100000188475 [0,1,0,1,0,0|2,0,0]=4 17301 B12R1.315 CCOC(=O)COCC1CCC1 34a_100000760304_100000188475 [0,1,0,1,0,0|1,0,0]=3 17302 B12R1.315 CCOC(=O)COCC1CCO1 34a_100000039022_100000188475 [0,1,0,1,0,0|2,0,0]=4 17303 B12R1.315 CCOC(=O)COCC1CNC1 34a_100016987283_100000188475 [0,1,0,1,0,0|2,0,0]=4 17304 B12R1.315 CCOC(=O)COCC1COC1 34a_100000060846_100000188475 [0,1,0,1,0,0|2,0,0]=4 17305 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000188475_100000763275 [0,1,0,1,0,0|1,1,0]=4 17306 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000763275_100000188475 [0,1,0,1,0,0|1,1,0]=4 17307 B12R1.315 CCOC(=O)NCCN1CCC1 269982a_100000754969_200011445536 [0,1,0,1,0,0|2,0,0]=4 17308 B12R1.315 COCC(=O)NCCN1CCC1 240690a_100000691440_100000210968 [0,1,0,1,0,0|2,0,0]=4 17309 B12R1.315 COCC(=O)NNCC1CCC1 22a_200020586977_100000210968 [0,1,0,1,0,0|2,0,0]=4 17310 B12R1.315 CSCC(=O)NCCN1CCC1 240690a_100000691440_100000184570 [0,1,0,1,0,0|2,0,0]=4 17311 B12R1.315 CSCC(=O)NNCC1CCC1 22a_200020586977_100000184570 [0,1,0,1,0,0|2,0,0]=4 17312 B12R1.315 O=C(CCO)NCCN1CCC1 240690a_100000691440_100011216618 [0,1,0,1,0,0|2,0,0]=4 17313 B12R1.315 O=C(CCO)NNCC1CCC1 22a_200020586977_100011216618 [0,1,0,1,0,0|2,0,0]=4 17314 B12R1.315 O=C(COCC1CCC1)NCO 34a_100000760304_100000185155 [0,1,0,1,0,0|2,0,0]=4 17315 B12R1.316 CCC1CCCN1C(=O)CCO 240690a_100000754278_100011216618 [0,1,0,1,0,0|2,0,0]=4 17316 B12R1.316 CCC1CCCN1C(=O)COC 11a_100000754278_100000210968 [0,1,0,1,0,0|2,0,0]=4 17317 B12R1.316 CCC1CCCN1C(=O)COC 1626a_100000754278_100000210968 [0,1,0,1,0,0|2,0,0]=4 17318 B12R1.316 CCC1CCCN1C(=O)COC 240690a_100000754278_100000210968 [0,1,0,1,0,0|2,0,0]=4 17319 B12R1.316 CCC1CCCN1C(=O)COC 527a_100000754278_100000210968 [0,1,0,1,0,0|2,0,0]=4 17320 B12R1.316 CCC1CCCN1C(=O)CSC 11a_100000754278_100000184570 [0,1,0,1,0,0|2,0,0]=4 17321 B12R1.316 CCC1CCCN1C(=O)CSC 1626a_100000754278_100000184570 [0,1,0,1,0,0|2,0,0]=4 17322 B12R1.316 CCC1CCCN1C(=O)CSC 240690a_100000754278_100000184570 [0,1,0,1,0,0|2,0,0]=4 17323 B12R1.316 CCC1CCCN1C(=O)CSC 527a_100000754278_100000184570 [0,1,0,1,0,0|2,0,0]=4 17324 B12R1.316 CCCC(=O)C1CCCN1CC 1458a_106256033941_100000210303 [0,1,0,1,0,0|1,0,0]=3 17325 B12R1.316 CCCC(=O)N1CC=CC1CC 11a_100000730860_100000211992 [0,1,0,1,0,0|1,0,1]=4 17326 B12R1.316 CCCC(=O)N1CC=CC1CC 1626a_100000730860_100000211992 [0,1,0,1,0,0|1,0,1]=4 17327 B12R1.316 CCCC(=O)N1CC=CC1CC 240690a_100000730860_100000211992 [0,1,0,1,0,0|1,0,1]=4 17328 B12R1.316 CCCC(=O)N1CC=CC1CC 527a_100000730860_100000211992 [0,1,0,1,0,0|1,0,1]=4 17329 B12R1.316 CCCC(=O)N1CCCC1C#N 11a_100000701862_100000211992 [0,1,0,1,0,0|1,0,1]=4 17330 B12R1.316 CCCC(=O)N1CCCC1C#N 1626a_100000701862_100000211992 [0,1,0,1,0,0|1,0,1]=4 17331 B12R1.316 CCCC(=O)N1CCCC1C#N 240690a_100000701862_100000211992 [0,1,0,1,0,0|1,0,1]=4 17332 B12R1.316 CCCC(=O)N1CCCC1C#N 527a_100000701862_100000211992 [0,1,0,1,0,0|1,0,1]=4 17333 B12R1.316 CCCC(=O)N1CCCC1CC 11a_100000754278_100000211992 [0,1,0,1,0,0|1,0,0]=3 17334 B12R1.316 CCCC(=O)N1CCCC1CC 1626a_100000754278_100000211992 [0,1,0,1,0,0|1,0,0]=3 17335 B12R1.316 CCCC(=O)N1CCCC1CC 240690a_100000754278_100000211992 [0,1,0,1,0,0|1,0,0]=3 17336 B12R1.316 CCCC(=O)N1CCCC1CC 527a_100000754278_100000211992 [0,1,0,1,0,0|1,0,0]=3 17337 B12R1.316 CCCC(=O)N1CCC[C@@H]1C#N 240690a_106645074975_100000211992 [0,1,0,1,0,0|1,0,1]=4 17338 B12R1.316 CCCC(=O)N1CCC[C@@H]1C#N 527a_106645074975_100000211992 [0,1,0,1,0,0|1,0,1]=4 17339 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000211992 [0,1,0,1,0,0|1,0,0]=3 17340 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000211992 [0,1,0,1,0,0|1,0,0]=3 17341 B12R1.316 CCN1CCCC1C(=O)CCF 1458a_106256033941_100011217306 [0,1,0,1,0,0|2,0,0]=4 17342 B12R1.316 CCN1CCCC1C(=O)CCO 1458a_106256033941_100000211926 [0,1,0,1,0,0|2,0,0]=4 17343 B12R1.316 CCNC(=O)C1CCCN1CC 240690a_100015525214_106256033941 [0,1,0,1,0,0|2,0,0]=4 17344 B12R1.316 CCNC(=O)C1CCCN1CC 527a_100015525214_106256033941 [0,1,0,1,0,0|2,0,0]=4 17345 B12R1.316 CCNC(=O)N1CCCC1CC 2708a_100015525214_100000754278 [0,1,0,1,0,0|2,0,0]=4 17346 B12R1.316 CCNC(=O)N1CCCC1CC 273464a_100015525214_100000754278 [0,1,0,1,0,0|2,0,0]=4 17347 B12R1.316 CCNC(=O)N1CCC[C@@H]1CO 2708a_100015525214_100000745186 [0,1,0,1,0,0|2,0,0]=4 17348 B12R1.316 CCNC(=O)N1CCC[C@@H]1CO 273464a_100015525214_100000745186 [0,1,0,1,0,0|2,0,0]=4 17349 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 2230a_100020641767_100000210202 [0,1,0,1,0,0|2,0,0]=4 17350 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 269982a_100020641767_100000204670 [0,1,0,1,0,0|2,0,0]=4 17351 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 34a_100020641767_100000210202 [0,1,0,1,0,0|2,0,0]=4 17352 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 2230a_100000703725_100000210202 [0,1,0,1,0,0|2,0,0]=4 17353 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 269982a_100000703725_100000204670 [0,1,0,1,0,0|2,0,0]=4 17354 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1OC 7a_200015395474_200000210301 [0,1,0,1,0,0|2,0,0]=4 17355 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1O[13CH3] 7a_200015395474_200025704644 [0,1,0,1,0,0|2,0,0]=4 17356 B12R1.316 COCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000210968 [0,1,0,1,0,0|2,0,0]=4 17357 B12R1.316 COCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000210968 [0,1,0,1,0,0|2,0,0]=4 17358 B12R1.316 CSCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000184570 [0,1,0,1,0,0|2,0,0]=4 17359 B12R1.316 CSCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000184570 [0,1,0,1,0,0|2,0,0]=4 17360 B12R1.316 O=C(CCO)N1CCC[C@@H]1CO 240690a_100000745186_100011216618 [0,1,0,1,0,0|2,0,0]=4 17361 B12R1.318 CCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210303 [0,1,0,1,0,0|1,0,1]=4 17362 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747444 [0,1,0,1,0,0|1,0,0]=3 17363 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747444 [0,1,0,1,0,0|1,0,0]=3 17364 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747444 [0,1,0,1,0,0|1,0,0]=3 17365 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747444 [0,1,0,1,0,0|1,0,0]=3 17366 B12R1.318 CCCC(=O)CN1CCSC1C 2230a_200011216479_100000747444 [0,1,0,1,0,0|2,0,0]=4 17367 B12R1.318 CCCC(=O)CN1CCSC1C 269982a_200011216479_100000747444 [0,1,0,1,0,0|2,0,0]=4 17368 B12R1.318 CCCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000211992 [0,1,0,1,0,0|1,0,0]=3 17369 B12R1.318 CCCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000211992 [0,1,0,1,0,0|1,0,0]=3 17370 B12R1.318 CCCC(=O)N[C@H]1COC[C@@H]1O 11a_100015191717_100000211992 [0,1,0,1,0,0|2,0,0]=4 17371 B12R1.318 CCCC(=O)N[C@H]1COC[C@@H]1O 240690a_100015191717_100000211992 [0,1,0,1,0,0|2,0,0]=4 17372 B12R1.318 CCCC(=O)N[C@H]1COC[C@@H]1O 527a_100015191717_100000211992 [0,1,0,1,0,0|2,0,0]=4 17373 B12R1.318 CCCC(C)NC1CCCC1=O 2230a_100000741246_100000211823 [0,1,0,1,0,0|2,0,0]=4 17374 B12R1.318 CCCC(C)OC1CCCC1=O 34a_100000764384_100000709159 [0,1,0,1,0,0|2,0,0]=4 17375 B12R1.318 CCCC(C)OC1CCCC1=O 34a_200000719330_100000766640 [0,1,0,1,0,0|2,0,0]=4 17376 B12R1.318 CCCC(C)OC1CCCC1=O 7a_100000764384_100000211823 [0,1,0,1,0,0|2,0,0]=4 17377 B12R1.318 CCCC(C)OC1CCCC1C 34a_100011216460_100000766640 [0,1,0,1,0,0|1,0,1]=4 17378 B12R1.318 CCCC(C)OC1CCCC1C 7a_100011216460_100000766640 [0,1,0,1,0,0|1,0,1]=4 17379 B12R1.318 CCCC(C)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000766640 [0,1,0,1,0,0|1,0,1]=4 17380 B12R1.318 CCCC(C)O[C@H]1CCC[C@@H]1N 34a_100000748460_100000766640 [0,1,0,1,0,0|1,0,1]=4 17381 B12R1.318 CCCC(C)O[C@H]1CNC[C@H]1C 34a_200015306588_100000766640 [0,1,0,1,0,0|1,0,1]=4 17382 B12R1.318 CCCC(C)SC1CCCC1=O 62a_100000211823_100000766640 [0,1,0,1,0,0|2,0,0]=4 17383 B12R1.318 CCCC(C)SC1CCCC1=O 62a_100000766640_100000211823 [0,1,0,1,0,0|2,0,0]=4 17384 B12R1.318 CCCN(C)CN1CCCC1=O 269982a_100000747261_100000026320 [0,1,0,1,0,0|2,0,0]=4 17385 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183381 [0,1,0,1,0,0|2,0,0]=4 17386 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183381 [0,1,0,1,0,0|2,0,0]=4 17387 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183381 [0,1,0,1,0,0|2,0,0]=4 17388 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183381 [0,1,0,1,0,0|2,0,0]=4 17389 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183381 [0,1,0,1,0,0|2,0,0]=4 17390 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 2708a_100015525214_100000748460 [0,1,0,1,0,0|2,0,0]=4 17391 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100000748460_100015525214 [0,1,0,1,0,0|2,0,0]=4 17392 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100015525214_100000748460 [0,1,0,1,0,0|2,0,0]=4 17393 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000188475 [0,1,0,1,0,0|2,0,0]=4 17394 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000188475 [0,1,0,1,0,0|2,0,0]=4 17395 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000188475 [0,1,0,1,0,0|2,0,0]=4 17396 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000188475 [0,1,0,1,0,0|2,0,0]=4 17397 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000188475 [0,1,0,1,0,0|2,0,0]=4 17398 B12R1.318 COCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210968 [0,1,0,1,0,0|2,0,0]=4 17399 B12R1.318 COCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210968 [0,1,0,1,0,0|2,0,0]=4 17400 B12R1.318 CSCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000184570 [0,1,0,1,0,0|2,0,0]=4 17401 B12R1.318 CSCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000184570 [0,1,0,1,0,0|2,0,0]=4 17402 B12R1.318 O=C(CCO)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100011216618 [0,1,0,1,0,0|2,0,0]=4 17403 B12R1.340 CCCCc1nc(no1)CCC 270196a_100011193412_100000210183 [0,1,0,1,0,0|1,0,1]=4 17404 B12R1.340 CCCCc1noc(n1)CCC 270196a_100011193411_100000211992 [0,1,0,1,0,0|1,0,1]=4 17405 B12R1.348 CCCCN1CCNC(=O)CC1 2230a_100000698595_100000210211 [0,1,0,1,0,0|2,0,0]=4 17406 B12R1.348 CCCCN1CCNC(=O)CC1 269982a_100000698595_100000210211 [0,1,0,1,0,0|2,0,0]=4 17407 B12R1.372 C#CCCCOC1CCCC1=O 34a_100000215630_100000709159 [0,1,0,1,0,0|0,0,2]=4 17408 B12R1.372 C#CCCCOC1CCCC1=O 34a_200000719330_100000695029 [0,1,0,1,0,0|0,0,2]=4 17409 B12R1.372 C#CCCCOC1CCCC1=O 7a_100000215630_100000211823 [0,1,0,1,0,0|0,0,2]=4 17410 B12R1.372 C/C=C/CCOC1CCCC1=O 34a_100016278192_100000709159 [0,1,0,1,0,0|0,0,2]=4 17411 B12R1.372 C=CCCCOC1CCCC1=O 34a_100000758997_100000709159 [0,1,0,1,0,0|0,0,2]=4 17412 B12R1.372 C=CCCCOC1CCCC1=O 34a_200000719330_100000757094 [0,1,0,1,0,0|0,0,2]=4 17413 B12R1.372 C=CCCCOC1CCCC1=O 7a_100000758997_100000211823 [0,1,0,1,0,0|0,0,2]=4 17414 B12R1.372 CC#CCCOC1CCCC1=O 34a_100000750427_100000709159 [0,1,0,1,0,0|0,0,2]=4 17415 B12R1.372 CC/C=C\COC1CCCC1=O 34a_100016268518_100000709159 [0,1,0,1,0,0|0,0,2]=4 17416 B12R1.372 CC/C=C\COC1CCCC1=O 34a_200000719330_100103147603 [0,1,0,1,0,0|0,0,2]=4 17417 B12R1.372 CCC#CCOC1CCCC1=O 34a_100000032950_100000709159 [0,1,0,1,0,0|0,0,2]=4 17418 B12R1.372 CCC#CCOC1CCCC1=O 34a_200000719330_100009813939 [0,1,0,1,0,0|0,0,2]=4 17419 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,1,0,1,0,0|1,0,0]=3 17420 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [0,1,0,1,0,0|2,0,0]=4 17421 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [0,1,0,1,0,0|2,0,0]=4 17422 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [0,1,0,1,0,0|2,0,0]=4 17423 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,1,0,1,0,0|0,0,0]=2 17424 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,1,0,1,0,0|0,0,0]=2 17425 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,1,0,1,0,0|0,0,0]=2 17426 B12R1.372 CCCCCOC1CCCC1C 34a_100011216460_100000718602 [0,1,0,1,0,0|1,0,1]=4 17427 B12R1.372 CCCCCOC1CCCC1C 7a_100011216460_100000210326 [0,1,0,1,0,0|1,0,1]=4 17428 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [0,1,0,1,0,0|1,0,0]=3 17429 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [0,1,0,1,0,0|1,0,0]=3 17430 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000718602 [0,1,0,1,0,0|1,0,1]=4 17431 B12R1.372 CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000718602 [0,1,0,1,0,0|1,0,1]=4 17432 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [0,1,0,1,0,0|1,0,0]=3 17433 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,1,0,1,0,0|0,1,0]=3 17434 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,1,0,1,0,0|0,1,0]=3 17435 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [0,1,0,1,0,0|1,1,0]=4 17436 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [0,1,0,1,0,0|1,1,0]=4 17437 B12R1.372 CCCCOCC1=CCCC1=O 34a_100000087531_100000210210 [0,1,0,1,0,0|1,0,1]=4 17438 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [0,1,0,1,0,0|2,0,0]=4 17439 B12R1.372 CCCCSCN1CCCC1=O 62a_100000026320_100000210210 [0,1,0,1,0,0|1,0,0]=3 17440 B12R1.372 CCCCSCN1CCCC1=O 62a_100000210211_100000026320 [0,1,0,1,0,0|1,0,0]=3 17441 B12R1.372 CCCNCCN1CCCC1=O 2230a_100011200922_100000210303 [0,1,0,1,0,0|1,0,0]=3 17442 B12R1.372 CCCNCCN1CCNC1=O 2230a_100011207550_100000210303 [0,1,0,1,0,0|2,0,0]=4 17443 B12R1.372 CCCOCCN1CCCC1=O 34a_100000210258_100000739059 [0,1,0,1,0,0|1,0,0]=3 17444 B12R1.372 CCCOCCN1CCCC1=O 34a_100000211209_100000210303 [0,1,0,1,0,0|1,0,0]=3 17445 B12R1.372 CCCOCCN1CCCC1=O 7a_100000211209_100000210303 [0,1,0,1,0,0|1,0,0]=3 17446 B12R1.372 CCCOCCN1CCNC1=O 34a_100000216532_100000210303 [0,1,0,1,0,0|2,0,0]=4 17447 B12R1.372 CCCSCCN1CCCC1=O 62a_100000210303_100000739059 [0,1,0,1,0,0|1,0,0]=3 17448 B12R1.372 CCCSCCN1CCCC1=O 62a_100000739059_100000210303 [0,1,0,1,0,0|1,0,0]=3 17449 B12R1.372 CCCSCCN1CCNC1=O 62a_100000090651_100000210303 [0,1,0,1,0,0|2,0,0]=4 17450 B12R1.372 CCCSCCN1CCNC1=O 62a_100000210303_100000090651 [0,1,0,1,0,0|2,0,0]=4 17451 B12R1.372 CCNCCCN1CCCC1=O 2230a_100000210347_100000210202 [0,1,0,1,0,0|1,0,0]=3 17452 B12R1.372 CCNCCCN1CCCC1=O 34a_100000210347_100000210202 [0,1,0,1,0,0|1,0,0]=3 17453 B12R1.372 CCOCCCN1CCCC1=O 34a_100011216539_100000210202 [0,1,0,1,0,0|1,0,0]=3 17454 B12R1.372 CCOCCCN1CCCC1=O 7a_100011216539_100000210202 [0,1,0,1,0,0|1,0,0]=3 17455 B12R1.372 CCOCCNC1CCCC1=O 2230a_102516460346_100000211823 [0,1,0,1,0,0|2,0,0]=4 17456 B12R1.372 CCOCCNC1CCCC1=O 34a_102516460346_100000709159 [0,1,0,1,0,0|2,0,0]=4 17457 B12R1.372 CCOCCOC1CCCC1=O 34a_100000210136_100000709159 [0,1,0,1,0,0|1,0,0]=3 17458 B12R1.372 CCOCCOC1CCCC1=O 34a_200000719330_100000210147 [0,1,0,1,0,0|1,0,0]=3 17459 B12R1.372 CCOCCOC1CCCC1=O 7a_100000210136_100000211823 [0,1,0,1,0,0|1,0,0]=3 17460 B12R1.372 CCOCCOC1CCOC1=O 34a_100000210136_100000211211 [0,1,0,1,0,0|2,0,0]=4 17461 B12R1.372 CCOCCOC1CCOC1=O 7a_100000210136_100000211211 [0,1,0,1,0,0|2,0,0]=4 17462 B12R1.372 CCOCCO[C@H]1CCNC1=O 34a_100000688343_100000210147 [0,1,0,1,0,0|2,0,0]=4 17463 B12R1.372 CCOCCSC1CCCC1=O 62a_100000210147_100000211823 [0,1,0,1,0,0|1,1,0]=4 17464 B12R1.372 CCOCCSC1CCCC1=O 62a_100000211823_100011215890 [0,1,0,1,0,0|1,1,0]=4 17465 B12R1.372 CCOCSCN1CCCC1=O 62a_100000026320_100000739092 [0,1,0,1,0,0|2,0,0]=4 17466 B12R1.372 CCOCSCN1CCCC1=O 62a_100000739092_100000026320 [0,1,0,1,0,0|2,0,0]=4 17467 B12R1.372 CCSCCNC1CCCC1=O 2230a_100000106463_100000211823 [0,1,0,1,0,0|2,0,0]=4 17468 B12R1.372 CCSCCOC1CCCC1=O 34a_100000212035_100000709159 [0,1,0,1,0,0|1,0,0]=3 17469 B12R1.372 CCSCCOC1CCCC1=O 34a_200000719330_100000757381 [0,1,0,1,0,0|1,0,0]=3 17470 B12R1.372 CCSCCOC1CCCC1=O 7a_100000212035_100000211823 [0,1,0,1,0,0|1,0,0]=3 17471 B12R1.372 CCSCCOC1CCOC1=O 34a_100000212035_100000211211 [0,1,0,1,0,0|2,0,0]=4 17472 B12R1.372 CCSCCOC1CCOC1=O 7a_100000212035_100000211211 [0,1,0,1,0,0|2,0,0]=4 17473 B12R1.372 CCSCCO[C@H]1CCNC1=O 34a_100000688343_100000757381 [0,1,0,1,0,0|2,0,0]=4 17474 B12R1.372 CCSCCSC1CCCC1=O 62a_100000211823_100000757381 [0,1,0,1,0,0|1,1,0]=4 17475 B12R1.372 CCSCCSC1CCCC1=O 62a_100000757381_100000211823 [0,1,0,1,0,0|1,1,0]=4 17476 B12R1.372 CNCCCOC1CCCC1=O 34a_100000213112_100000709159 [0,1,0,1,0,0|1,0,0]=3 17477 B12R1.372 CNCCCOC1CCOC1=O 34a_100000213112_100000211211 [0,1,0,1,0,0|2,0,0]=4 17478 B12R1.372 COCCCNC1CCCC1=O 34a_100150723488_100000709159 [0,1,0,1,0,0|2,0,0]=4 17479 B12R1.372 COCCCOC1CCCC1=O 34a_100000740835_100000709159 [0,1,0,1,0,0|1,0,0]=3 17480 B12R1.372 COCCCOC1CCCC1=O 34a_200000719330_100000740836 [0,1,0,1,0,0|1,0,0]=3 17481 B12R1.372 COCCCOC1CCOC1=O 34a_100000740835_100000211211 [0,1,0,1,0,0|2,0,0]=4 17482 B12R1.372 COCCCO[C@H]1CCNC1=O 34a_100000688343_100000740836 [0,1,0,1,0,0|2,0,0]=4 17483 B12R1.372 COCCCSC1CCCC1=O 62a_100000211823_100000709357 [0,1,0,1,0,0|1,1,0]=4 17484 B12R1.372 COCCCSC1CCCC1=O 62a_100000709357_100000211823 [0,1,0,1,0,0|1,1,0]=4 17485 B12R1.372 COCCSCN1CCCC1=O 62a_100000026320_100000233755 [0,1,0,1,0,0|2,0,0]=4 17486 B12R1.372 COCCSCN1CCCC1=O 62a_100000233755_100000026320 [0,1,0,1,0,0|2,0,0]=4 17487 B12R1.372 COCNCCN1CCCC1=O 2230a_100011200922_100000766300 [0,1,0,1,0,0|2,0,0]=4 17488 B12R1.372 COCSCCN1CCCC1=O 62a_100000739059_100000766300 [0,1,0,1,0,0|2,0,0]=4 17489 B12R1.372 COCSCCN1CCCC1=O 62a_100000766300_100000739059 [0,1,0,1,0,0|2,0,0]=4 17490 B12R1.372 CSCCCNC1CCCC1=O 2230a_100000749238_100000211823 [0,1,0,1,0,0|2,0,0]=4 17491 B12R1.372 CSCCCOC1CCCC1=O 34a_100000690336_100000709159 [0,1,0,1,0,0|1,0,0]=3 17492 B12R1.372 CSCCCOC1CCCC1=O 7a_100000690336_100000211823 [0,1,0,1,0,0|1,0,0]=3 17493 B12R1.372 CSCCCOC1CCOC1=O 34a_100000690336_100000211211 [0,1,0,1,0,0|2,0,0]=4 17494 B12R1.372 CSCCCOC1CCOC1=O 7a_100000690336_100000211211 [0,1,0,1,0,0|2,0,0]=4 17495 B12R1.372 CSCCSCN1CCCC1=O 62a_100000026320_100000751147 [0,1,0,1,0,0|2,0,0]=4 17496 B12R1.372 CSCCSCN1CCCC1=O 62a_100000212216_100000026320 [0,1,0,1,0,0|2,0,0]=4 17497 B12R1.372 CSCNCCN1CCCC1=O 2230a_100011200922_100011218213 [0,1,0,1,0,0|2,0,0]=4 17498 B12R1.372 CSCOCCN1CCCC1=O 34a_100000211209_100011218213 [0,1,0,1,0,0|2,0,0]=4 17499 B12R1.372 CSCSCCN1CCCC1=O 62a_100000739059_100011218213 [0,1,0,1,0,0|2,0,0]=4 17500 B12R1.372 CSCSCCN1CCCC1=O 62a_100011218213_100000739059 [0,1,0,1,0,0|2,0,0]=4 17501 B12R1.372 NCCCCOC1CCCC1=O 34a_100000750430_100000709159 [0,1,0,1,0,0|1,0,0]=3 17502 B12R1.372 NCCCCOC1CCOC1=O 34a_100000750430_100000211211 [0,1,0,1,0,0|2,0,0]=4 17503 B12R1.372 NCCOCCN1CCCC1=O 34a_100000210304_100000739059 [0,1,0,1,0,0|2,0,0]=4 17504 B12R1.372 O=C1CCCC1NCCCCO 2230a_100000750430_100000211823 [0,1,0,1,0,0|2,0,0]=4 17505 B12R1.372 O=C1CCCC1NCCCCO 34a_100000750430_100000709159 [0,1,0,1,0,0|2,0,0]=4 17506 B12R1.372 O=C1CCCC1OCCCCBr 34a_100011216708_100000709159 [0,1,0,1,0,0|1,0,0]=3 17507 B12R1.372 O=C1CCCC1OCCCCCl 34a_100000210776_100000709159 [0,1,0,1,0,0|1,0,0]=3 17508 B12R1.372 O=C1CCCC1OCCCCCl 7a_100000210776_100000211823 [0,1,0,1,0,0|1,0,0]=3 17509 B12R1.372 O=C1CCCC1OCCCCF 34a_100011995726_100000709159 [0,1,0,1,0,0|1,0,0]=3 17510 B12R1.372 O=C1CCCC1OCCCCF 34a_200000719330_100000729493 [0,1,0,1,0,0|1,0,0]=3 17511 B12R1.372 O=C1CCCC1OCCCCF 7a_100011995726_100000211823 [0,1,0,1,0,0|1,0,0]=3 17512 B12R1.372 O=C1CCCC1OCCCCI 34a_200012148704_100000709159 [0,1,0,1,0,0|1,0,0]=3 17513 B12R1.372 O=C1CCCC1OCCCCO 34a_200000719330_100011216708 [0,1,0,1,0,0|1,0,0]=3 17514 B12R1.372 O=C1CCCC1SCCCCF 62a_100000211823_100000729493 [0,1,0,1,0,0|1,1,0]=4 17515 B12R1.372 O=C1CCCC1SCCCCF 62a_100000729493_100000211823 [0,1,0,1,0,0|1,1,0]=4 17516 B12R1.372 O=C1CCCC1SCCCCO 62a_100000210776_100000211823 [0,1,0,1,0,0|1,1,0]=4 17517 B12R1.372 O=C1CCCC1SCCCCO 62a_100000211823_100000210776 [0,1,0,1,0,0|1,1,0]=4 17518 B12R1.372 O=C1CCCN1CCCNCF 34a_100000210347_100015361967 [0,1,0,1,0,0|2,0,0]=4 17519 B12R1.372 O=C1CCCN1CCCOCF 34a_100011216539_100015361967 [0,1,0,1,0,0|2,0,0]=4 17520 B12R1.372 O=C1CCCN1CCCOCF 7a_100011216539_100015361967 [0,1,0,1,0,0|2,0,0]=4 17521 B12R1.372 O=C1CCCN1CCNCCF 2230a_100011200922_100011217306 [0,1,0,1,0,0|2,0,0]=4 17522 B12R1.372 O=C1CCCN1CCNCCF 34a_100000724931_100000739059 [0,1,0,1,0,0|2,0,0]=4 17523 B12R1.372 O=C1CCCN1CCNCCO 2230a_100011200922_100000211926 [0,1,0,1,0,0|2,0,0]=4 17524 B12R1.372 O=C1CCCN1CCNCCO 2230a_100016997473_100000739059 [0,1,0,1,0,0|2,0,0]=4 17525 B12R1.372 O=C1CCCN1CCNCCO 34a_100016990907_100000739059 [0,1,0,1,0,0|2,0,0]=4 17526 B12R1.372 O=C1CCCN1CCOCCBr 34a_100000211926_100000739059 [0,1,0,1,0,0|2,0,0]=4 17527 B12R1.372 O=C1CCCN1CCOCCF 34a_100000211209_100011217306 [0,1,0,1,0,0|2,0,0]=4 17528 B12R1.372 O=C1CCCN1CCOCCF 7a_100000211209_100011217306 [0,1,0,1,0,0|2,0,0]=4 17529 B12R1.372 O=C1CCCN1CCOCCO 34a_100000211209_100000211926 [0,1,0,1,0,0|2,0,0]=4 17530 B12R1.372 O=C1CCCN1CCOCCO 7a_100000211209_100000211926 [0,1,0,1,0,0|2,0,0]=4 17531 B12R1.372 O=C1CCCN1CCSCCF 62a_100000739059_100011217306 [0,1,0,1,0,0|2,0,0]=4 17532 B12R1.372 O=C1CCCN1CCSCCF 62a_100011217306_100000739059 [0,1,0,1,0,0|2,0,0]=4 17533 B12R1.372 O=C1CCCN1CCSCCO 62a_100000211926_100000739059 [0,1,0,1,0,0|2,0,0]=4 17534 B12R1.372 O=C1CCCN1CCSCCO 62a_100000739059_100000211926 [0,1,0,1,0,0|2,0,0]=4 17535 B12R1.372 O=C1CCCN1CSCCCF 62a_100000026320_100011934791 [0,1,0,1,0,0|2,0,0]=4 17536 B12R1.372 O=C1CCCN1CSCCCF 62a_100011934791_100000026320 [0,1,0,1,0,0|2,0,0]=4 17537 B12R1.372 O=C1CCCN1CSCCCO 62a_100000026320_100011215043 [0,1,0,1,0,0|2,0,0]=4 17538 B12R1.372 O=C1CCCN1CSCCCO 62a_100011215043_100000026320 [0,1,0,1,0,0|2,0,0]=4 17539 B12R1.372 O=C1NCC[C@@H]1OCCCCF 34a_100000688343_100000729493 [0,1,0,1,0,0|2,0,0]=4 17540 B12R1.372 O=C1NCC[C@@H]1OCCCCO 34a_100000688343_100011216708 [0,1,0,1,0,0|2,0,0]=4 17541 B12R1.372 O=C1OCCC1OCCCCBr 34a_100011216708_100000211211 [0,1,0,1,0,0|2,0,0]=4 17542 B12R1.372 O=C1OCCC1OCCCCCl 34a_100000210776_100000211211 [0,1,0,1,0,0|2,0,0]=4 17543 B12R1.372 O=C1OCCC1OCCCCCl 7a_100000210776_100000211211 [0,1,0,1,0,0|2,0,0]=4 17544 B12R1.372 O=C1OCCC1OCCCCF 34a_100011995726_100000211211 [0,1,0,1,0,0|2,0,0]=4 17545 B12R1.372 O=C1OCCC1OCCCCF 7a_100011995726_100000211211 [0,1,0,1,0,0|2,0,0]=4 17546 B12R1.372 O=C1OCCC1OCCCCI 34a_200012148704_100000211211 [0,1,0,1,0,0|2,0,0]=4 17547 B12R1.535 CCCC(=O)N1CCC1COC 11a_100015195929_100000211992 [0,1,0,1,0,0|1,0,0]=3 17548 B12R1.535 CCCC(=O)N1CCC1COC 1626a_100015195929_100000211992 [0,1,0,1,0,0|1,0,0]=3 17549 B12R1.535 CCCC(=O)N1CCC1COC 240690a_100015195929_100000211992 [0,1,0,1,0,0|1,0,0]=3 17550 B12R1.535 CCCC(=O)N1CCC1COC 527a_100015195929_100000211992 [0,1,0,1,0,0|1,0,0]=3 17551 B12R1.535 CCNC(=O)N1CCC1COC 2708a_100015525214_100015195929 [0,1,0,1,0,0|2,0,0]=4 17552 B12R1.535 CCNC(=O)N1CCC1COC 273464a_100015525214_100015195929 [0,1,0,1,0,0|2,0,0]=4 17553 B12R1.535 COCC(=O)N1CCC1COC 11a_100015195929_100000210968 [0,1,0,1,0,0|2,0,0]=4 17554 B12R1.535 COCC(=O)N1CCC1COC 1626a_100015195929_100000210968 [0,1,0,1,0,0|2,0,0]=4 17555 B12R1.535 COCC(=O)N1CCC1COC 240690a_100015195929_100000210968 [0,1,0,1,0,0|2,0,0]=4 17556 B12R1.535 COCC(=O)N1CCC1COC 527a_100015195929_100000210968 [0,1,0,1,0,0|2,0,0]=4 17557 B12R1.535 COCC1CCN1C(=O)CCO 240690a_100015195929_100011216618 [0,1,0,1,0,0|2,0,0]=4 17558 B12R1.535 COCC1CCN1C(=O)CSC 11a_100015195929_100000184570 [0,1,0,1,0,0|2,0,0]=4 17559 B12R1.535 COCC1CCN1C(=O)CSC 1626a_100015195929_100000184570 [0,1,0,1,0,0|2,0,0]=4 17560 B12R1.535 COCC1CCN1C(=O)CSC 240690a_100015195929_100000184570 [0,1,0,1,0,0|2,0,0]=4 17561 B12R1.535 COCC1CCN1C(=O)CSC 527a_100015195929_100000184570 [0,1,0,1,0,0|2,0,0]=4 17562 B12R1.542 CCC1C(=O)NCCN1CCF 2230a_100000187962_100011217306 [0,1,0,1,0,0|2,0,0]=4 17563 B12R1.542 CCC1C(=O)NCCN1CCF 269982a_100000187962_100011217306 [0,1,0,1,0,0|2,0,0]=4 17564 B12R1.542 CCC1C(=O)NCCN1CCF 34a_100000187962_100011217306 [0,1,0,1,0,0|2,0,0]=4 17565 B12R1.542 CCC1C(=O)NCCN1CCO 2230a_100000187962_100000211926 [0,1,0,1,0,0|2,0,0]=4 17566 B12R1.542 CCC1C(=O)NCCN1CCO 269982a_100000187962_100000211926 [0,1,0,1,0,0|2,0,0]=4 17567 B12R1.542 CCC1C(=O)NCCN1CCO 34a_100000187962_100000211926 [0,1,0,1,0,0|2,0,0]=4 17568 B12R1.542 CCC1C(=O)NCCN1COC 2230a_100000187962_100000766300 [0,1,0,1,0,0|2,0,0]=4 17569 B12R1.542 CCC1C(=O)NCCN1COC 269982a_100000187962_100000766300 [0,1,0,1,0,0|2,0,0]=4 17570 B12R1.542 CCC1C(=O)NCCN1CSC 2230a_100000187962_100011218213 [0,1,0,1,0,0|2,0,0]=4 17571 B12R1.542 CCC1C(=O)NCCN1CSC 269982a_100000187962_100011218213 [0,1,0,1,0,0|2,0,0]=4 17572 B12R1.542 CCC1C(=O)NCCN1CSC 34a_100000187962_100011218213 [0,1,0,1,0,0|2,0,0]=4 17573 B12R1.542 CCCN1CCNC(=O)C1CC 2230a_100000187962_100000210303 [0,1,0,1,0,0|1,0,0]=3 17574 B12R1.542 CCCN1CCNC(=O)C1CC 269982a_100000187962_100000210303 [0,1,0,1,0,0|1,0,0]=3 17575 B12R1.542 CCCN1CCNC(=O)C1CC 34a_100000187962_100000210303 [0,1,0,1,0,0|1,0,0]=3 17576 B12R1.923 C#CCCCCCC(=O)C1CC1 1458a_100000210395_100012094781 [0,1,0,1,0,0|1,0,1]=4 17577 B12R1.923 C#CCCCCNC(=O)C1CC1 11a_100000706060_100000210395 [0,1,0,1,0,0|1,0,1]=4 17578 B12R1.923 C#CCCCCNC(=O)C1CC1 1626a_100000706060_100000210395 [0,1,0,1,0,0|1,0,1]=4 17579 B12R1.923 C#CCCCCNC(=O)C1CC1 240690a_100000706060_100000210395 [0,1,0,1,0,0|1,0,1]=4 17580 B12R1.923 C#CCCCCNC(=O)C1CC1 527a_100000706060_100000210395 [0,1,0,1,0,0|1,0,1]=4 17581 B12R1.923 C#CCCCOCC(=O)C1CC1 34a_100000215630_100000746382 [0,1,0,1,0,0|0,0,2]=4 17582 B12R1.923 C#CCCCOCC(=O)C1CC1 34a_100000686663_100000695029 [0,1,0,1,0,0|0,0,2]=4 17583 B12R1.923 C#CCCCOCC(=O)C1CC1 7a_100000215630_100000746382 [0,1,0,1,0,0|0,0,2]=4 17584 B12R1.923 C#CCCNCOC(=O)C1CC1 34a_100000755551_100000140896 [0,1,0,1,0,0|0,0,2]=4 17585 B12R1.923 C#CCCOCOC(=O)C1CC1 34a_100011215631_100000140896 [0,1,0,1,0,0|0,0,2]=4 17586 B12R1.923 C#CCCSCOC(=O)C1CC1 62a_100000140896_100000688953 [0,1,0,1,0,0|0,0,2]=4 17587 B12R1.923 C#CCCSCOC(=O)C1CC1 62a_100000688953_100000140896 [0,1,0,1,0,0|0,0,2]=4 17588 B12R1.923 C/C=C/CCOCC(=O)C1CC1 34a_100016278192_100000746382 [0,1,0,1,0,0|0,0,2]=4 17589 B12R1.923 C/C=C/COCOC(=O)C1CC1 34a_100016270725_100000140896 [0,1,0,1,0,0|0,0,2]=4 17590 B12R1.923 C/C=C/CSCOC(=O)C1CC1 62a_100000140896_100102629194 [0,1,0,1,0,0|0,0,2]=4 17591 B12R1.923 C/C=C/CSCOC(=O)C1CC1 62a_100102629194_100000140896 [0,1,0,1,0,0|0,0,2]=4 17592 B12R1.923 C=CCCCCCC(=O)C1CC1 1458a_100000210395_100000700193 [0,1,0,1,0,0|1,0,1]=4 17593 B12R1.923 C=CCCCCNC(=O)C1CC1 11a_100000703577_100000210395 [0,1,0,1,0,0|1,0,1]=4 17594 B12R1.923 C=CCCCCNC(=O)C1CC1 1626a_100000703577_100000210395 [0,1,0,1,0,0|1,0,1]=4 17595 B12R1.923 C=CCCCCNC(=O)C1CC1 240690a_100000703577_100000210395 [0,1,0,1,0,0|1,0,1]=4 17596 B12R1.923 C=CCCCCNC(=O)C1CC1 527a_100000703577_100000210395 [0,1,0,1,0,0|1,0,1]=4 17597 B12R1.923 C=CCCCOCC(=O)C1CC1 34a_100000686663_100000757094 [0,1,0,1,0,0|0,0,2]=4 17598 B12R1.923 C=CCCCOCC(=O)C1CC1 34a_100000758997_100000746382 [0,1,0,1,0,0|0,0,2]=4 17599 B12R1.923 C=CCCCOCC(=O)C1CC1 7a_100000758997_100000746382 [0,1,0,1,0,0|0,0,2]=4 17600 B12R1.923 C=CCCNCOC(=O)C1CC1 2230a_100015191253_100000140896 [0,1,0,1,0,0|0,0,2]=4 17601 B12R1.923 C=CCCOCOC(=O)C1CC1 34a_100011205117_100000140896 [0,1,0,1,0,0|0,0,2]=4 17602 B12R1.923 C=CCCSCOC(=O)C1CC1 62a_100000140896_100000754431 [0,1,0,1,0,0|0,0,2]=4 17603 B12R1.923 C=CCCSCOC(=O)C1CC1 62a_100000754431_100000140896 [0,1,0,1,0,0|0,0,2]=4 17604 B12R1.923 CC#CCCOCC(=O)C1CC1 34a_100000750427_100000746382 [0,1,0,1,0,0|0,0,2]=4 17605 B12R1.923 CC#CCNCOC(=O)C1CC1 2230a_100000685387_100000140896 [0,1,0,1,0,0|0,0,2]=4 17606 B12R1.923 CC#CCNCOC(=O)C1CC1 34a_100000685387_100000140896 [0,1,0,1,0,0|0,0,2]=4 17607 B12R1.923 CC#CCOCOC(=O)C1CC1 34a_100000761923_100000140896 [0,1,0,1,0,0|0,0,2]=4 17608 B12R1.923 CC#CCSCOC(=O)C1CC1 62a_100000140896_100000748600 [0,1,0,1,0,0|0,0,2]=4 17609 B12R1.923 CC#CCSCOC(=O)C1CC1 62a_100000748600_100000140896 [0,1,0,1,0,0|0,0,2]=4 17610 B12R1.923 CC(OCCCCCF)C1CC1 34a_100000744524_100000729378 [0,1,0,1,0,0|1,0,1]=4 17611 B12R1.923 CC(OCCCCCF)C1CC1 7a_100000744524_100000729378 [0,1,0,1,0,0|1,0,1]=4 17612 B12R1.923 CC(OCCCCCO)C1CC1 34a_100000744524_100000746330 [0,1,0,1,0,0|1,0,1]=4 17613 B12R1.923 CC(OCCCCCO)C1CC1 7a_100000744524_100000746330 [0,1,0,1,0,0|1,0,1]=4 17614 B12R1.923 CC/C=C\COCC(=O)C1CC1 34a_100000686663_100103147603 [0,1,0,1,0,0|0,0,2]=4 17615 B12R1.923 CC/C=C\COCC(=O)C1CC1 34a_100016268518_100000746382 [0,1,0,1,0,0|0,0,2]=4 17616 B12R1.923 CC=CCSCOC(=O)C1CC1 62a_100000070051_100000140896 [0,1,0,1,0,0|0,0,2]=4 17617 B12R1.923 CC=CCSCOC(=O)C1CC1 62a_100000140896_100000070051 [0,1,0,1,0,0|0,0,2]=4 17618 B12R1.923 CCC#CCOCC(=O)C1CC1 34a_100000032950_100000746382 [0,1,0,1,0,0|0,0,2]=4 17619 B12R1.923 CCC#CCOCC(=O)C1CC1 34a_100000686663_100009813939 [0,1,0,1,0,0|0,0,2]=4 17620 B12R1.923 CCCCC=NNC(=O)C1CC1 4a_100000183419_100000210104 [0,1,0,1,0,0|1,0,1]=4 17621 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [0,1,0,1,0,0|1,0,0]=3 17622 B12R1.923 CCCCCCCC(=O)C1CO1 1458a_100000701028_100000210614 [0,1,0,1,0,0|2,0,0]=4 17623 B12R1.923 CCCCCCNC(=O)C1CC1 11a_100000210581_100000210395 [0,1,0,1,0,0|1,0,0]=3 17624 B12R1.923 CCCCCCNC(=O)C1CC1 1626a_100000210581_100000210395 [0,1,0,1,0,0|1,0,0]=3 17625 B12R1.923 CCCCCCNC(=O)C1CC1 240690a_100000210581_100000210395 [0,1,0,1,0,0|1,0,0]=3 17626 B12R1.923 CCCCCCNC(=O)C1CC1 527a_100000210581_100000210395 [0,1,0,1,0,0|1,0,0]=3 17627 B12R1.923 CCCCCCNC(=O)C1CO1 11a_100000210581_100000701028 [0,1,0,1,0,0|2,0,0]=4 17628 B12R1.923 CCCCCCNC(=O)C1CO1 1626a_100000210581_100000701028 [0,1,0,1,0,0|2,0,0]=4 17629 B12R1.923 CCCCCCNC(=O)C1CO1 240690a_100000210581_100000701028 [0,1,0,1,0,0|2,0,0]=4 17630 B12R1.923 CCCCCCNC(=O)C1CO1 527a_100000210581_100000701028 [0,1,0,1,0,0|2,0,0]=4 17631 B12R1.923 CCCCCCOC(C)C1CC1 34a_100000744524_100000210314 [0,1,0,1,0,0|1,0,1]=4 17632 B12R1.923 CCCCCCOC(C)C1CC1 7a_100000744524_100000210314 [0,1,0,1,0,0|1,0,1]=4 17633 B12R1.923 CCCCCNCC(=O)C1CC1 2230a_100000209983_100000746382 [0,1,0,1,0,0|1,0,0]=3 17634 B12R1.923 CCCCCNN=C(C)C1CC1 4a_100000694160_100000210639 [0,1,0,1,0,0|2,0,0]=4 17635 B12R1.923 CCCCCNNC(=O)C1CC1 22a_100000694160_100000210395 [0,1,0,1,0,0|1,0,0]=3 17636 B12R1.923 CCCCCNNC(=O)C1CO1 22a_100000694160_100000701028 [0,1,0,1,0,0|2,0,0]=4 17637 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000210253_100000746382 [0,1,0,1,0,0|0,0,0]=2 17638 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000686663_100000718602 [0,1,0,1,0,0|0,0,0]=2 17639 B12R1.923 CCCCCOCC(=O)C1CC1 7a_100000210253_100000746382 [0,1,0,1,0,0|0,0,0]=2 17640 B12R1.923 CCCCCOC[C@H](N)C1CC1 34a_100020623730_100000718602 [0,1,0,1,0,0|1,0,1]=4 17641 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000210326_100000746382 [0,1,0,1,0,0|0,1,0]=3 17642 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000746382_100000210326 [0,1,0,1,0,0|0,1,0]=3 17643 B12R1.923 CCCCNCOC(=O)C1CC1 2230a_100000102301_100000140896 [0,1,0,1,0,0|0,0,0]=2 17644 B12R1.923 CCCCOCCC(=O)C1CC1 1458a_100000210395_100000743108 [0,1,0,1,0,0|1,0,0]=3 17645 B12R1.923 CCCCOCCC(=O)C1CO1 1458a_100000701028_100000743108 [0,1,0,1,0,0|2,0,0]=4 17646 B12R1.923 CCCCOCOC(=O)C1CC1 34a_100000210227_100000140896 [0,1,0,1,0,0|0,0,0]=2 17647 B12R1.923 CCCCOCOC(C)C1CC1 34a_100000744524_100011995733 [0,1,0,1,0,0|1,0,1]=4 17648 B12R1.923 CCCCSCOC(=O)C1CC1 62a_100000140896_100000210210 [0,1,0,1,0,0|0,0,0]=2 17649 B12R1.923 CCCCSCOC(=O)C1CC1 62a_100000210211_100000140896 [0,1,0,1,0,0|0,0,0]=2 17650 B12R1.923 CCCOCCNC(=O)C1CC1 1626a_100161115042_100000210395 [0,1,0,1,0,0|1,0,0]=3 17651 B12R1.923 CCCOCCNC(=O)C1CC1 240690a_100161115042_100000210395 [0,1,0,1,0,0|1,0,0]=3 17652 B12R1.923 CCCOCCNC(=O)C1CC1 527a_100161115042_100000210395 [0,1,0,1,0,0|1,0,0]=3 17653 B12R1.923 CCCOCCNC(=O)C1CO1 1626a_100161115042_100000701028 [0,1,0,1,0,0|2,0,0]=4 17654 B12R1.923 CCCOCCNC(=O)C1CO1 240690a_100161115042_100000701028 [0,1,0,1,0,0|2,0,0]=4 17655 B12R1.923 CCCOCCNC(=O)C1CO1 527a_100161115042_100000701028 [0,1,0,1,0,0|2,0,0]=4 17656 B12R1.923 CCCOCCOC(C)C1CC1 34a_100000744524_100011215938 [0,1,0,1,0,0|1,0,1]=4 17657 B12R1.923 CCCOCCOC(C)C1CC1 7a_100000744524_100011215938 [0,1,0,1,0,0|1,0,1]=4 17658 B12R1.923 CCCSCCNC(=O)C1CC1 11a_100020603323_100000210395 [0,1,0,1,0,0|1,0,0]=3 17659 B12R1.923 CCCSCCNC(=O)C1CC1 240690a_100020603323_100000210395 [0,1,0,1,0,0|1,0,0]=3 17660 B12R1.923 CCCSCCNC(=O)C1CC1 527a_100020603323_100000210395 [0,1,0,1,0,0|1,0,0]=3 17661 B12R1.923 CCCSCCNC(=O)C1CO1 11a_100020603323_100000701028 [0,1,0,1,0,0|2,0,0]=4 17662 B12R1.923 CCCSCCNC(=O)C1CO1 240690a_100020603323_100000701028 [0,1,0,1,0,0|2,0,0]=4 17663 B12R1.923 CCCSCCNC(=O)C1CO1 527a_100020603323_100000701028 [0,1,0,1,0,0|2,0,0]=4 17664 B12R1.923 CCOCCCNC(=O)C1CC1 11a_100000210961_100000210395 [0,1,0,1,0,0|1,0,0]=3 17665 B12R1.923 CCOCCCNC(=O)C1CC1 1626a_100000210961_100000210395 [0,1,0,1,0,0|1,0,0]=3 17666 B12R1.923 CCOCCCNC(=O)C1CC1 240690a_100000210961_100000210395 [0,1,0,1,0,0|1,0,0]=3 17667 B12R1.923 CCOCCCNC(=O)C1CC1 527a_100000210961_100000210395 [0,1,0,1,0,0|1,0,0]=3 17668 B12R1.923 CCOCCCNC(=O)C1CO1 11a_100000210961_100000701028 [0,1,0,1,0,0|2,0,0]=4 17669 B12R1.923 CCOCCCNC(=O)C1CO1 1626a_100000210961_100000701028 [0,1,0,1,0,0|2,0,0]=4 17670 B12R1.923 CCOCCCNC(=O)C1CO1 240690a_100000210961_100000701028 [0,1,0,1,0,0|2,0,0]=4 17671 B12R1.923 CCOCCCNC(=O)C1CO1 527a_100000210961_100000701028 [0,1,0,1,0,0|2,0,0]=4 17672 B12R1.923 CCOCCCOC(C)C1CC1 34a_100000744524_100012232248 [0,1,0,1,0,0|1,0,1]=4 17673 B12R1.923 CCOCCCOC(C)C1CC1 7a_100000744524_100012232248 [0,1,0,1,0,0|1,0,1]=4 17674 B12R1.923 CCOCCNCC(=O)C1CC1 2230a_102516460346_100000746382 [0,1,0,1,0,0|2,0,0]=4 17675 B12R1.923 CCOCCNCC(=O)C1CC1 34a_102516460346_100000746382 [0,1,0,1,0,0|2,0,0]=4 17676 B12R1.923 CCOCCNNC(=O)C1CC1 22a_100000732670_100000210395 [0,1,0,1,0,0|2,0,0]=4 17677 B12R1.923 CCOCCOCC(=O)C1CC1 34a_100000210136_100000746382 [0,1,0,1,0,0|1,0,0]=3 17678 B12R1.923 CCOCCOCC(=O)C1CC1 34a_100000686663_100000210147 [0,1,0,1,0,0|1,0,0]=3 17679 B12R1.923 CCOCCOCC(=O)C1CC1 7a_100000210136_100000746382 [0,1,0,1,0,0|1,0,0]=3 17680 B12R1.923 CCOCCSCC(=O)C1CC1 62a_100000210147_100000746382 [0,1,0,1,0,0|1,1,0]=4 17681 B12R1.923 CCOCCSCC(=O)C1CC1 62a_100000746382_100011215890 [0,1,0,1,0,0|1,1,0]=4 17682 B12R1.923 CCOCSCOC(=O)C1CC1 62a_100000140896_100000739092 [0,1,0,1,0,0|1,0,0]=3 17683 B12R1.923 CCOCSCOC(=O)C1CC1 62a_100000739092_100000140896 [0,1,0,1,0,0|1,0,0]=3 17684 B12R1.923 CCSCCNCC(=O)C1CC1 2230a_100000106463_100000746382 [0,1,0,1,0,0|2,0,0]=4 17685 B12R1.923 CCSCCOCC(=O)C1CC1 34a_100000212035_100000746382 [0,1,0,1,0,0|1,0,0]=3 17686 B12R1.923 CCSCCOCC(=O)C1CC1 34a_100000686663_100000757381 [0,1,0,1,0,0|1,0,0]=3 17687 B12R1.923 CCSCCOCC(=O)C1CC1 7a_100000212035_100000746382 [0,1,0,1,0,0|1,0,0]=3 17688 B12R1.923 CCSCCSCC(=O)C1CC1 62a_100000746382_100000757381 [0,1,0,1,0,0|1,1,0]=4 17689 B12R1.923 CCSCCSCC(=O)C1CC1 62a_100000757381_100000746382 [0,1,0,1,0,0|1,1,0]=4 17690 B12R1.923 CNCCCOCC(=O)C1CC1 34a_100000213112_100000746382 [0,1,0,1,0,0|1,0,0]=3 17691 B12R1.923 COCCCCOC(C)C1CC1 34a_100000744524_100000755781 [0,1,0,1,0,0|1,0,1]=4 17692 B12R1.923 COCCCCOC(C)C1CC1 7a_100000744524_100000730899 [0,1,0,1,0,0|1,0,1]=4 17693 B12R1.923 COCCCNCC(=O)C1CC1 34a_100150723488_100000746382 [0,1,0,1,0,0|2,0,0]=4 17694 B12R1.923 COCCCNNC(=O)C1CC1 22a_100025702787_100000210395 [0,1,0,1,0,0|2,0,0]=4 17695 B12R1.923 COCCCOCC(=O)C1CC1 34a_100000686663_100000740836 [0,1,0,1,0,0|1,0,0]=3 17696 B12R1.923 COCCCOCC(=O)C1CC1 34a_100000740835_100000746382 [0,1,0,1,0,0|1,0,0]=3 17697 B12R1.923 COCCCSCC(=O)C1CC1 62a_100000709357_100000746382 [0,1,0,1,0,0|1,1,0]=4 17698 B12R1.923 COCCCSCC(=O)C1CC1 62a_100000746382_100000709357 [0,1,0,1,0,0|1,1,0]=4 17699 B12R1.923 COCCNCOC(=O)C1CC1 2230a_100000209980_100000140896 [0,1,0,1,0,0|1,0,0]=3 17700 B12R1.923 COCCOCCC(=O)C1CC1 1458a_100000210395_100000695917 [0,1,0,1,0,0|2,0,0]=4 17701 B12R1.923 COCCOCOC(=O)C1CC1 34a_100000210237_100000140896 [0,1,0,1,0,0|1,0,0]=3 17702 B12R1.923 COCCSCOC(=O)C1CC1 62a_100000140896_100000233755 [0,1,0,1,0,0|1,0,0]=3 17703 B12R1.923 COCCSCOC(=O)C1CC1 62a_100000233755_100000140896 [0,1,0,1,0,0|1,0,0]=3 17704 B12R1.923 CSCCCNCC(=O)C1CC1 2230a_100000749238_100000746382 [0,1,0,1,0,0|2,0,0]=4 17705 B12R1.923 CSCCCOCC(=O)C1CC1 34a_100000690336_100000746382 [0,1,0,1,0,0|1,0,0]=3 17706 B12R1.923 CSCCCOCC(=O)C1CC1 7a_100000690336_100000746382 [0,1,0,1,0,0|1,0,0]=3 17707 B12R1.923 CSCCNCOC(=O)C1CC1 2230a_100020590264_100000140896 [0,1,0,1,0,0|1,0,0]=3 17708 B12R1.923 CSCCOCOC(=O)C1CC1 34a_100000230434_100000140896 [0,1,0,1,0,0|1,0,0]=3 17709 B12R1.923 CSCCSCOC(=O)C1CC1 62a_100000140896_100000751147 [0,1,0,1,0,0|1,0,0]=3 17710 B12R1.923 CSCCSCOC(=O)C1CC1 62a_100000212216_100000140896 [0,1,0,1,0,0|1,0,0]=3 17711 B12R1.923 N#CCCCCCC(=O)C1CC1 1458a_100000210395_100009813376 [0,1,0,1,0,0|1,0,1]=4 17712 B12R1.923 N#CCCCCNC(=O)C1CC1 11a_100000751965_100000210395 [0,1,0,1,0,0|1,0,1]=4 17713 B12R1.923 N#CCCCCNC(=O)C1CC1 1626a_100000751965_100000210395 [0,1,0,1,0,0|1,0,1]=4 17714 B12R1.923 N#CCCCCNC(=O)C1CC1 240690a_100000751965_100000210395 [0,1,0,1,0,0|1,0,1]=4 17715 B12R1.923 N#CCCCCNC(=O)C1CC1 527a_100000751965_100000210395 [0,1,0,1,0,0|1,0,1]=4 17716 B12R1.923 N#CCCSCOC(=O)C1CC1 62a_100000140896_100011215226 [0,1,0,1,0,0|1,0,1]=4 17717 B12R1.923 N#CCCSCOC(=O)C1CC1 62a_100011215226_100000140896 [0,1,0,1,0,0|1,0,1]=4 17718 B12R1.923 NCCCCOCC(=O)C1CC1 34a_100000750430_100000746382 [0,1,0,1,0,0|1,0,0]=3 17719 B12R1.923 NCCCOCOC(=O)C1CC1 34a_100000182051_100000140896 [0,1,0,1,0,0|1,0,0]=3 17720 B12R1.923 NOCCOCOC(=O)C1CC1 34a_100000700252_100000140896 [0,1,0,1,0,0|2,0,0]=4 17721 B12R1.923 O=C(CCCCCCF)C1CC1 1458a_100000210395_100015922095 [0,1,0,1,0,0|1,0,0]=3 17722 B12R1.923 O=C(CCCCCCF)C1CO1 1458a_100000701028_100015922095 [0,1,0,1,0,0|2,0,0]=4 17723 B12R1.923 O=C(CCCCCCO)C1CC1 1458a_100000210395_100000766143 [0,1,0,1,0,0|1,0,0]=3 17724 B12R1.923 O=C(CCCCCCO)C1CO1 1458a_100000701028_100000766143 [0,1,0,1,0,0|2,0,0]=4 17725 B12R1.923 O=C(CNCCCCO)C1CC1 2230a_100000750430_100000746382 [0,1,0,1,0,0|2,0,0]=4 17726 B12R1.923 O=C(CNCCCCO)C1CC1 34a_100000750430_100000746382 [0,1,0,1,0,0|2,0,0]=4 17727 B12R1.923 O=C(COCCCCBr)C1CC1 34a_100011216708_100000746382 [0,1,0,1,0,0|1,0,0]=3 17728 B12R1.923 O=C(COCCCCCl)C1CC1 34a_100000210776_100000746382 [0,1,0,1,0,0|1,0,0]=3 17729 B12R1.923 O=C(COCCCCCl)C1CC1 7a_100000210776_100000746382 [0,1,0,1,0,0|1,0,0]=3 17730 B12R1.923 O=C(COCCCCF)C1CC1 34a_100000686663_100000729493 [0,1,0,1,0,0|1,0,0]=3 17731 B12R1.923 O=C(COCCCCF)C1CC1 34a_100011995726_100000746382 [0,1,0,1,0,0|1,0,0]=3 17732 B12R1.923 O=C(COCCCCF)C1CC1 7a_100011995726_100000746382 [0,1,0,1,0,0|1,0,0]=3 17733 B12R1.923 O=C(COCCCCI)C1CC1 34a_200012148704_100000746382 [0,1,0,1,0,0|1,0,0]=3 17734 B12R1.923 O=C(COCCCCO)C1CC1 34a_100000686663_100011216708 [0,1,0,1,0,0|1,0,0]=3 17735 B12R1.923 O=C(CSCCCCF)C1CC1 62a_100000729493_100000746382 [0,1,0,1,0,0|1,1,0]=4 17736 B12R1.923 O=C(CSCCCCF)C1CC1 62a_100000746382_100000729493 [0,1,0,1,0,0|1,1,0]=4 17737 B12R1.923 O=C(CSCCCCO)C1CC1 62a_100000210776_100000746382 [0,1,0,1,0,0|1,1,0]=4 17738 B12R1.923 O=C(CSCCCCO)C1CC1 62a_100000746382_100000210776 [0,1,0,1,0,0|1,1,0]=4 17739 B12R1.923 O=C(NCCCCCO)C1CC1 240690a_100000762737_100000210395 [0,1,0,1,0,0|1,0,0]=3 17740 B12R1.923 O=C(NCCCCCO)C1CO1 240690a_100000762737_100000701028 [0,1,0,1,0,0|2,0,0]=4 17741 B12R1.923 O=C(NCCOCCO)C1CC1 240690a_100000211614_100000210395 [0,1,0,1,0,0|2,0,0]=4 17742 B12R1.923 O=C(NCCSCCO)C1CC1 240690a_100011219999_100000210395 [0,1,0,1,0,0|2,0,0]=4 17743 B12R1.923 O=C(NCCSCCO)C1CC1 527a_100011219999_100000210395 [0,1,0,1,0,0|2,0,0]=4 17744 B12R1.923 O=C(OCNCCCF)C1CC1 2230a_100015189416_100000140896 [0,1,0,1,0,0|1,0,0]=3 17745 B12R1.923 O=C(OCNCCCF)C1CC1 34a_100015189416_100000140896 [0,1,0,1,0,0|1,0,0]=3 17746 B12R1.923 O=C(OCOCCCBr)C1CC1 34a_100011217188_100000140896 [0,1,0,1,0,0|1,0,0]=3 17747 B12R1.923 O=C(OCOCCCCl)C1CC1 34a_100000230001_100000140896 [0,1,0,1,0,0|1,0,0]=3 17748 B12R1.923 O=C(OCOCCCF)C1CC1 34a_100000759539_100000140896 [0,1,0,1,0,0|1,0,0]=3 17749 B12R1.923 O=C(OCSCCCF)C1CC1 62a_100000140896_100011934791 [0,1,0,1,0,0|1,0,0]=3 17750 B12R1.923 O=C(OCSCCCF)C1CC1 62a_100011934791_100000140896 [0,1,0,1,0,0|1,0,0]=3 17751 B12R1.923 O=C(OCSCCCO)C1CC1 62a_100000140896_100011215043 [0,1,0,1,0,0|1,0,0]=3 17752 B12R1.923 O=C(OCSCCCO)C1CC1 62a_100011215043_100000140896 [0,1,0,1,0,0|1,0,0]=3 17753 B12R1.1505 CC1CC1COCC(=O)NCO 34a_100000744939_100000185155 [0,1,0,1,0,0|2,0,0]=4 17754 B12R1.1505 CC1CC1COCC(=O)NCO 7a_100000744939_100000185155 [0,1,0,1,0,0|2,0,0]=4 17755 B12R1.1505 CCCC(=O)COCC1CC1C 7a_100000744939_100000747444 [0,1,0,1,0,0|0,0,0]=2 17756 B12R1.1505 CCCC(=O)OCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000034017 [0,1,0,1,0,0|1,0,0]=3 17757 B12R1.1505 CCCC(=O)OCN[C@@H]1C[C@H]1F 2230a_100025746932_100000034017 [0,1,0,1,0,0|1,0,0]=3 17758 B12R1.1505 CCCC(=O)OCN[C@@H]1C[C@H]1F 34a_100025746932_100000034017 [0,1,0,1,0,0|1,0,0]=3 17759 B12R1.1505 CCCC(C)COCC1CC1C 34a_100000744939_100011216630 [0,1,0,1,0,0|1,0,1]=4 17760 B12R1.1505 CCCC(C)COCC1CC1C 7a_100000744939_100011216630 [0,1,0,1,0,0|1,0,1]=4 17761 B12R1.1505 CCNC(=O)COCC1CC1C 34a_100000744939_100000183381 [0,1,0,1,0,0|1,0,0]=3 17762 B12R1.1505 CCNC(=O)COCC1CC1C 7a_100000744939_100000183381 [0,1,0,1,0,0|1,0,0]=3 17763 B12R1.1505 CCOC(=O)COCC1CC1C 34a_100000744939_100000188475 [0,1,0,1,0,0|1,0,0]=3 17764 B12R1.1505 CCOC(=O)COCC1CC1C 7a_100000744939_100000188475 [0,1,0,1,0,0|1,0,0]=3 17765 B12R1.1564 CCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210303 [0,1,0,1,0,0|1,0,1]=4 17766 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [0,1,0,1,0,0|1,0,0]=3 17767 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [0,1,0,1,0,0|1,0,0]=3 17768 B12R1.1564 CCCC(=O)N1CCCCCC1 11a_100000185865_100000211992 [0,1,0,1,0,0|1,0,0]=3 17769 B12R1.1564 CCCC(=O)N1CCCCCC1 1626a_100000185865_100000211992 [0,1,0,1,0,0|1,0,0]=3 17770 B12R1.1564 CCCC(=O)N1CCCCCC1 240690a_100000185865_100000211992 [0,1,0,1,0,0|1,0,0]=3 17771 B12R1.1564 CCCC(=O)N1CCCCCC1 527a_100000185865_100000211992 [0,1,0,1,0,0|1,0,0]=3 17772 B12R1.1564 CCCC(=O)N1CCCOCC1 11a_100000685342_100000211992 [0,1,0,1,0,0|1,0,0]=3 17773 B12R1.1564 CCCC(=O)N1CCCOCC1 1626a_100000685342_100000211992 [0,1,0,1,0,0|1,0,0]=3 17774 B12R1.1564 CCCC(=O)N1CCCOCC1 240690a_100000685342_100000211992 [0,1,0,1,0,0|1,0,0]=3 17775 B12R1.1564 CCCC(=O)N1CCCOCC1 527a_100000685342_100000211992 [0,1,0,1,0,0|1,0,0]=3 17776 B12R1.1564 CCNC(=O)C1CCCCCC1 11a_100015525214_100000749507 [0,1,0,1,0,0|2,0,0]=4 17777 B12R1.1564 CCNC(=O)C1CCCCCC1 240690a_100015525214_100000749507 [0,1,0,1,0,0|2,0,0]=4 17778 B12R1.1564 CCNC(=O)C1CCCCCC1 527a_100015525214_100000749507 [0,1,0,1,0,0|2,0,0]=4 17779 B12R1.1564 CCNC(=O)N1CCCCCC1 2708a_100015525214_100000185865 [0,1,0,1,0,0|2,0,0]=4 17780 B12R1.1564 CCNC(=O)N1CCCCCC1 273464a_100015525214_100000185865 [0,1,0,1,0,0|2,0,0]=4 17781 B12R1.1564 CCNC(=O)N1CCCOCC1 2708a_100015525214_100000685342 [0,1,0,1,0,0|2,0,0]=4 17782 B12R1.1564 CCNC(=O)N1CCCOCC1 273464a_100015525214_100000685342 [0,1,0,1,0,0|2,0,0]=4 17783 B12R1.1564 CNCC(=O)N1CCCCCC1 2230a_106832991635_100000182869 [0,1,0,1,0,0|2,0,0]=4 17784 B12R1.1564 CNCC(=O)N1CCCCCC1 34a_100102657272_100000182869 [0,1,0,1,0,0|2,0,0]=4 17785 B12R1.1564 CNCC(=O)N1CCCCCC1 7a_106832991635_100000182869 [0,1,0,1,0,0|2,0,0]=4 17786 B12R1.1564 COCC(=O)C1CCCCCC1 1458a_100000210968_100011217769 [0,1,0,1,0,0|2,0,0]=4 17787 B12R1.1564 COCC(=O)N1CCCCCC1 11a_100000185865_100000210968 [0,1,0,1,0,0|2,0,0]=4 17788 B12R1.1564 COCC(=O)N1CCCCCC1 1626a_100000185865_100000210968 [0,1,0,1,0,0|2,0,0]=4 17789 B12R1.1564 COCC(=O)N1CCCCCC1 240690a_100000185865_100000210968 [0,1,0,1,0,0|2,0,0]=4 17790 B12R1.1564 COCC(=O)N1CCCCCC1 34a_100138415774_100000182869 [0,1,0,1,0,0|2,0,0]=4 17791 B12R1.1564 COCC(=O)N1CCCCCC1 527a_100000185865_100000210968 [0,1,0,1,0,0|2,0,0]=4 17792 B12R1.1564 COCC(=O)N1CCCOCC1 11a_100000685342_100000210968 [0,1,0,1,0,0|2,0,0]=4 17793 B12R1.1564 COCC(=O)N1CCCOCC1 1626a_100000685342_100000210968 [0,1,0,1,0,0|2,0,0]=4 17794 B12R1.1564 COCC(=O)N1CCCOCC1 240690a_100000685342_100000210968 [0,1,0,1,0,0|2,0,0]=4 17795 B12R1.1564 COCC(=O)N1CCCOCC1 527a_100000685342_100000210968 [0,1,0,1,0,0|2,0,0]=4 17796 B12R1.1564 CSCC(=O)C1CCCCCC1 1458a_100000184570_100011217769 [0,1,0,1,0,0|2,0,0]=4 17797 B12R1.1564 CSCC(=O)N1CCCCCC1 11a_100000185865_100000184570 [0,1,0,1,0,0|2,0,0]=4 17798 B12R1.1564 CSCC(=O)N1CCCCCC1 1626a_100000185865_100000184570 [0,1,0,1,0,0|2,0,0]=4 17799 B12R1.1564 CSCC(=O)N1CCCCCC1 240690a_100000185865_100000184570 [0,1,0,1,0,0|2,0,0]=4 17800 B12R1.1564 CSCC(=O)N1CCCCCC1 527a_100000185865_100000184570 [0,1,0,1,0,0|2,0,0]=4 17801 B12R1.1564 CSCC(=O)N1CCCCCC1 62a_100000182869_200000210301 [0,1,0,1,0,0|2,0,0]=4 17802 B12R1.1564 CSCC(=O)N1CCCCCC1 62a_200000210301_100000182869 [0,1,0,1,0,0|2,0,0]=4 17803 B12R1.1564 CSCC(=O)N1CCCOCC1 11a_100000685342_100000184570 [0,1,0,1,0,0|2,0,0]=4 17804 B12R1.1564 CSCC(=O)N1CCCOCC1 1626a_100000685342_100000184570 [0,1,0,1,0,0|2,0,0]=4 17805 B12R1.1564 CSCC(=O)N1CCCOCC1 240690a_100000685342_100000184570 [0,1,0,1,0,0|2,0,0]=4 17806 B12R1.1564 CSCC(=O)N1CCCOCC1 527a_100000685342_100000184570 [0,1,0,1,0,0|2,0,0]=4 17807 B12R1.1564 O=C(CCF)C1CCCCCC1 1458a_100000749507_100011217306 [0,1,0,1,0,0|2,0,0]=4 17808 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100000749507_100000211926 [0,1,0,1,0,0|2,0,0]=4 17809 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100011216618_100011217769 [0,1,0,1,0,0|2,0,0]=4 17810 B12R1.1564 O=C(CCO)N1CCCCCC1 240690a_100000185865_100011216618 [0,1,0,1,0,0|2,0,0]=4 17811 B12R1.1564 O=C(CCO)N1CCCOCC1 240690a_100000685342_100011216618 [0,1,0,1,0,0|2,0,0]=4 17812 B12R1.1564 [13CH3]SCC(=O)N1CCCCCC1 62a_100000182869_200025704644 [0,1,0,1,0,0|2,0,0]=4 17813 B12R1.1564 [13CH3]SCC(=O)N1CCCCCC1 62a_200025704644_100000182869 [0,1,0,1,0,0|2,0,0]=4 17814 B12R1.1996 CC1(CCC1)OCCCCCF 34a_100000759064_100000729378 [0,1,0,1,0,0|1,0,1]=4 17815 B12R1.1996 CC1(CCC1)OCCCCCF 7a_100000759064_100000729378 [0,1,0,1,0,0|1,0,1]=4 17816 B12R1.1996 CC1(CCC1)OCCCCCO 34a_100000759064_100000746330 [0,1,0,1,0,0|1,0,1]=4 17817 B12R1.1996 CC1(CCC1)OCCCCCO 7a_100000759064_100000746330 [0,1,0,1,0,0|1,0,1]=4 17818 B12R1.1996 CCCCCCOC1(CCC1)C 34a_100000759064_100000210314 [0,1,0,1,0,0|1,0,1]=4 17819 B12R1.1996 CCCCCCOC1(CCC1)C 7a_100000759064_100000210314 [0,1,0,1,0,0|1,0,1]=4 17820 B12R1.1996 CCCCCOCC1(CCC1)C 34a_100000210253_100000726658 [0,1,0,1,0,0|1,0,1]=4 17821 B12R1.1996 CCCCCOCC1(CCC1)C 7a_100000210253_100000726658 [0,1,0,1,0,0|1,0,1]=4 17822 B12R1.1996 CCCCOCOC1(CCC1)C 34a_100000759064_100011995733 [0,1,0,1,0,0|1,0,1]=4 17823 B12R1.1996 CCCOCCOC1(CCC1)C 34a_100000759064_100011215938 [0,1,0,1,0,0|1,0,1]=4 17824 B12R1.1996 CCCOCCOC1(CCC1)C 7a_100000759064_100011215938 [0,1,0,1,0,0|1,0,1]=4 17825 B12R1.1996 CCOCCCOC1(CCC1)C 34a_100000759064_100012232248 [0,1,0,1,0,0|1,0,1]=4 17826 B12R1.1996 CCOCCCOC1(CCC1)C 7a_100000759064_100012232248 [0,1,0,1,0,0|1,0,1]=4 17827 B12R1.1996 COCCCCOC1(CCC1)C 34a_100000759064_100000755781 [0,1,0,1,0,0|1,0,1]=4 17828 B12R1.1996 COCCCCOC1(CCC1)C 7a_100000759064_100000730899 [0,1,0,1,0,0|1,0,1]=4 17829 B12R1.31 CCCC(=O)CC1CCN(C1)C 1458a_100000211992_200000690779 [0,1,0,1,0,0|2,0,0]=4 17830 B12R1.31 CCCC(=O)CN1CCC(C1)O 2230a_100011215560_100000747444 [0,1,0,1,0,0|2,0,0]=4 17831 B12R1.31 CCCC(=O)CN1CCC(C1)O 269982a_100011215560_100000747444 [0,1,0,1,0,0|2,0,0]=4 17832 B12R1.31 CCCC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000747444 [0,1,0,1,0,0|2,0,0]=4 17833 B12R1.31 CCCC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000747444 [0,1,0,1,0,0|2,0,0]=4 17834 B12R1.31 CCCC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000747444 [0,1,0,1,0,0|2,0,0]=4 17835 B12R1.31 CCCC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000747444 [0,1,0,1,0,0|2,0,0]=4 17836 B12R1.31 CCCC(=O)NC1CCN(C1)C 1626a_100000744687_100000211992 [0,1,0,1,0,0|2,0,0]=4 17837 B12R1.31 CCCC(=O)NC1CCN(C1)C 240690a_100000744687_100000211992 [0,1,0,1,0,0|2,0,0]=4 17838 B12R1.31 CCCC(=O)NC1CCN(C1)C 527a_100000744687_100000211992 [0,1,0,1,0,0|2,0,0]=4 17839 B12R1.31 CCCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000211992 [0,1,0,1,0,0|1,0,0]=3 17840 B12R1.31 CCCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000211992 [0,1,0,1,0,0|1,0,0]=3 17841 B12R1.31 CCCC(C)OC1CCC(C1)C 34a_100000698185_100000766640 [0,1,0,1,0,0|1,0,1]=4 17842 B12R1.31 CCNC(=O)N[C@H]1CC[C@H](C1)O 2708a_100015195300_100015525214 [0,1,0,1,0,0|2,0,0]=4 17843 B12R1.31 CCNC(=O)N[C@H]1CC[C@H](C1)O 2708a_100015525214_100015195300 [0,1,0,1,0,0|2,0,0]=4 17844 B12R1.31 CCNC(=O)N[C@H]1CC[C@H](C1)O 273464a_100015195300_100015525214 [0,1,0,1,0,0|2,0,0]=4 17845 B12R1.31 CCNC(=O)N[C@H]1CC[C@H](C1)O 273464a_100015525214_100015195300 [0,1,0,1,0,0|2,0,0]=4 17846 B12R1.31 CCNC(=O)N[C@H]1CC[C@H](C1)O 512a_100015195300_100015525214 [0,1,0,1,0,0|2,0,0]=4 17847 B12R1.31 COCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000210968 [0,1,0,1,0,0|2,0,0]=4 17848 B12R1.31 COCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000210968 [0,1,0,1,0,0|2,0,0]=4 17849 B12R1.31 CSCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000184570 [0,1,0,1,0,0|2,0,0]=4 17850 B12R1.31 CSCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000184570 [0,1,0,1,0,0|2,0,0]=4 17851 B12R1.31 O=C(CCO)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100011216618 [0,1,0,1,0,0|2,0,0]=4 17852 B12R1.53 C#CCCC(=O)CC1CCCC1 1458a_100000210891_100000753159 [0,1,0,1,0,0|1,0,1]=4 17853 B12R1.53 C#CCCC(=O)CC1CCCC1 1458a_100000692101_100000740388 [0,1,0,1,0,0|1,0,1]=4 17854 B12R1.53 C#CCCC(=O)NC1CCCC1 11a_100000211070_100000692101 [0,1,0,1,0,0|1,0,1]=4 17855 B12R1.53 C#CCCC(=O)NC1CCCC1 1626a_100000211070_100000692101 [0,1,0,1,0,0|1,0,1]=4 17856 B12R1.53 C#CCCC(=O)NC1CCCC1 240690a_100000211070_100000692101 [0,1,0,1,0,0|1,0,1]=4 17857 B12R1.53 C#CCCC(=O)NC1CCCC1 527a_100000211070_100000692101 [0,1,0,1,0,0|1,0,1]=4 17858 B12R1.53 C/C=C/CC(=O)CC1CCCC1 1458a_100000210891_100102629194 [0,1,0,1,0,0|1,0,1]=4 17859 B12R1.53 C=CCCC(=O)CC1CCCC1 1458a_100000210891_100000754431 [0,1,0,1,0,0|1,0,1]=4 17860 B12R1.53 C=CCCC(=O)CC1CCCC1 1458a_100000749702_100000740388 [0,1,0,1,0,0|1,0,1]=4 17861 B12R1.53 C=CCCC(=O)NC1CCCC1 11a_100000211070_100000749702 [0,1,0,1,0,0|1,0,1]=4 17862 B12R1.53 C=CCCC(=O)NC1CCCC1 1626a_100000211070_100000749702 [0,1,0,1,0,0|1,0,1]=4 17863 B12R1.53 C=CCCC(=O)NC1CCCC1 240690a_100000211070_100000749702 [0,1,0,1,0,0|1,0,1]=4 17864 B12R1.53 C=CCCC(=O)NC1CCCC1 527a_100000211070_100000749702 [0,1,0,1,0,0|1,0,1]=4 17865 B12R1.53 CC#CCC(=O)CC1CCCC1 1458a_100000210891_100000748600 [0,1,0,1,0,0|1,0,1]=4 17866 B12R1.53 CC(CCCCl)OC1CCCC1 34a_200000718107_100000179811 [0,1,0,1,0,0|1,0,1]=4 17867 B12R1.53 CC(CCCCl)OC1CCCC1 7a_200000718107_100000179811 [0,1,0,1,0,0|1,0,1]=4 17868 B12R1.53 CC=CCC(=O)CC1CCCC1 1458a_100000210891_100000070051 [0,1,0,1,0,0|1,0,1]=4 17869 B12R1.53 CC=CCC(=O)CC1CCCC1 1458a_100121576822_100000740388 [0,1,0,1,0,0|1,0,1]=4 17870 B12R1.53 CC=CCC(=O)NC1CCCC1 11a_100000211070_100121576822 [0,1,0,1,0,0|1,0,1]=4 17871 B12R1.53 CC=CCC(=O)NC1CCCC1 1626a_100000211070_100121576822 [0,1,0,1,0,0|1,0,1]=4 17872 B12R1.53 CC=CCC(=O)NC1CCCC1 240690a_100000211070_100121576822 [0,1,0,1,0,0|1,0,1]=4 17873 B12R1.53 CC=CCC(=O)NC1CCCC1 527a_100000211070_100121576822 [0,1,0,1,0,0|1,0,1]=4 17874 B12R1.53 CCC#CC(=O)CC1CCCC1 1458a_100011827653_100000740388 [0,1,0,1,0,0|1,0,1]=4 17875 B12R1.53 CCC=CC(=O)CC1CCCC1 1458a_100000212282_100000740388 [0,1,0,1,0,0|1,0,1]=4 17876 B12R1.53 CCC=CC(=O)NC1CCCC1 11a_100000211070_100000212282 [0,1,0,1,0,0|1,0,1]=4 17877 B12R1.53 CCC=CC(=O)NC1CCCC1 1626a_100000211070_100000212282 [0,1,0,1,0,0|1,0,1]=4 17878 B12R1.53 CCC=CC(=O)NC1CCCC1 240690a_100000211070_100000212282 [0,1,0,1,0,0|1,0,1]=4 17879 B12R1.53 CCCCC(=O)C=C1CCCC1 1458a_100000743260_100000210211 [0,1,0,1,0,0|1,0,1]=4 17880 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210183_100000740388 [0,1,0,1,0,0|1,0,0]=3 17881 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210891_100000210211 [0,1,0,1,0,0|1,0,0]=3 17882 B12R1.53 CCCCC(=O)CC1CCCO1 1458a_100000210183_100000203698 [0,1,0,1,0,0|2,0,0]=4 17883 B12R1.53 CCCCC(=O)CC1CCOC1 1458a_100000210183_100000702531 [0,1,0,1,0,0|2,0,0]=4 17884 B12R1.53 CCCCC(=O)CC1CCOC1 1458a_100011218419_100000210211 [0,1,0,1,0,0|2,0,0]=4 17885 B12R1.53 CCCCC(=O)CN1CCCC1 1458a_100000740243_100000210211 [0,1,0,1,0,0|2,0,0]=4 17886 B12R1.53 CCCCC(=O)NC1CCCC1 11a_100000211070_100000210183 [0,1,0,1,0,0|1,0,0]=3 17887 B12R1.53 CCCCC(=O)NC1CCCC1 1626a_100000211070_100000210183 [0,1,0,1,0,0|1,0,0]=3 17888 B12R1.53 CCCCC(=O)NC1CCCC1 240690a_100000211070_100000210183 [0,1,0,1,0,0|1,0,0]=3 17889 B12R1.53 CCCCC(=O)NC1CCCC1 527a_100000211070_100000210183 [0,1,0,1,0,0|1,0,0]=3 17890 B12R1.53 CCCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210183 [0,1,0,1,0,0|2,0,0]=4 17891 B12R1.53 CCCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210183 [0,1,0,1,0,0|2,0,0]=4 17892 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210183 [0,1,0,1,0,0|2,0,0]=4 17893 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210183 [0,1,0,1,0,0|2,0,0]=4 17894 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210183 [0,1,0,1,0,0|2,0,0]=4 17895 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210183 [0,1,0,1,0,0|2,0,0]=4 17896 B12R1.53 CCCCC(C)OC1CCCC1 34a_100000210269_200011215066 [0,1,0,1,0,0|1,0,1]=4 17897 B12R1.53 CCCCC(C)OC1CCCC1 34a_100000687866_100000179811 [0,1,0,1,0,0|1,0,1]=4 17898 B12R1.53 CCCCC(C)OC1CCCC1 7a_100000210269_200011215066 [0,1,0,1,0,0|1,0,1]=4 17899 B12R1.53 CCCCC(C)OC1CCCC1 7a_100000687866_100000179811 [0,1,0,1,0,0|1,0,1]=4 17900 B12R1.53 CCCCC(C)OC1CCCO1 34a_100000085407_200011215066 [0,1,0,1,0,0|0,0,2]=4 17901 B12R1.53 CCCNC(=O)C=C1CCCC1 11a_100020643023_100000743260 [0,1,0,1,0,0|1,0,1]=4 17902 B12R1.53 CCCNC(=O)C=C1CCCC1 1626a_100020643023_100000743260 [0,1,0,1,0,0|1,0,1]=4 17903 B12R1.53 CCCNC(=O)C=C1CCCC1 240690a_100020643023_100000743260 [0,1,0,1,0,0|1,0,1]=4 17904 B12R1.53 CCCNC(=O)C=C1CCCC1 527a_100020643023_100000743260 [0,1,0,1,0,0|1,0,1]=4 17905 B12R1.53 CCCNC(=O)CC1CCCC1 11a_100020643023_100000210891 [0,1,0,1,0,0|1,0,0]=3 17906 B12R1.53 CCCNC(=O)CC1CCCC1 1626a_100020643023_100000210891 [0,1,0,1,0,0|1,0,0]=3 17907 B12R1.53 CCCNC(=O)CC1CCCC1 240690a_100020643023_100000210891 [0,1,0,1,0,0|1,0,0]=3 17908 B12R1.53 CCCNC(=O)CC1CCCC1 527a_100020643023_100000210891 [0,1,0,1,0,0|1,0,0]=3 17909 B12R1.53 CCCNC(=O)CC1CCOC1 11a_100020643023_100011218419 [0,1,0,1,0,0|2,0,0]=4 17910 B12R1.53 CCCNC(=O)CC1CCOC1 1626a_100020643023_100011218419 [0,1,0,1,0,0|2,0,0]=4 17911 B12R1.53 CCCNC(=O)CC1CCOC1 240690a_100020643023_100011218419 [0,1,0,1,0,0|2,0,0]=4 17912 B12R1.53 CCCNC(=O)CC1CCOC1 527a_100020643023_100011218419 [0,1,0,1,0,0|2,0,0]=4 17913 B12R1.53 CCCNC(=O)CN1CCCC1 2230a_100000188435_100000183358 [0,1,0,1,0,0|2,0,0]=4 17914 B12R1.53 CCCNC(=O)CN1CCCC1 240690a_100020643023_100000740243 [0,1,0,1,0,0|2,0,0]=4 17915 B12R1.53 CCCNC(=O)CN1CCCC1 269982a_100000188435_100000183358 [0,1,0,1,0,0|2,0,0]=4 17916 B12R1.53 CCCNC(=O)CN1CCCC1 527a_100020643023_100000740243 [0,1,0,1,0,0|2,0,0]=4 17917 B12R1.53 CCCNC(=O)NC1CCCC1 2708a_100000211070_100020643023 [0,1,0,1,0,0|1,0,0]=3 17918 B12R1.53 CCCNC(=O)NC1CCCC1 2708a_100020643023_100000211070 [0,1,0,1,0,0|1,0,0]=3 17919 B12R1.53 CCCNC(=O)NC1CCCC1 273464a_100000211070_100020643023 [0,1,0,1,0,0|1,0,0]=3 17920 B12R1.53 CCCNC(=O)NC1CCCC1 273464a_100020643023_100000211070 [0,1,0,1,0,0|1,0,0]=3 17921 B12R1.53 CCCNC(=O)NC1CCCC1 512a_100000211070_100020643023 [0,1,0,1,0,0|1,0,0]=3 17922 B12R1.53 CCCNC(=O)NC1CCCC1 512a_100020643023_100000211070 [0,1,0,1,0,0|1,0,0]=3 17923 B12R1.53 CCCNC(=O)N[C@@H]1CCOC1 2708a_100020643023_200015188469 [0,1,0,1,0,0|2,0,0]=4 17924 B12R1.53 CCCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100020643023 [0,1,0,1,0,0|2,0,0]=4 17925 B12R1.53 CCCNC(=O)N[C@@H]1CCOC1 273464a_100020643023_200015188469 [0,1,0,1,0,0|2,0,0]=4 17926 B12R1.53 CCCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100020643023 [0,1,0,1,0,0|2,0,0]=4 17927 B12R1.53 CCCNC(=O)N[C@@H]1CCOC1 512a_100020643023_200015188469 [0,1,0,1,0,0|2,0,0]=4 17928 B12R1.53 CCCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100020643023 [0,1,0,1,0,0|2,0,0]=4 17929 B12R1.53 CCCNC(=O)N[C@H]1CCOC1 2708a_100020643023_100015188467 [0,1,0,1,0,0|2,0,0]=4 17930 B12R1.53 CCCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100020643023 [0,1,0,1,0,0|2,0,0]=4 17931 B12R1.53 CCCNC(=O)N[C@H]1CCOC1 273464a_100020643023_100015188467 [0,1,0,1,0,0|2,0,0]=4 17932 B12R1.53 CCCNC(=O)N[C@H]1CCOC1 512a_100015188467_100020643023 [0,1,0,1,0,0|2,0,0]=4 17933 B12R1.53 CCCNC(=O)N[C@H]1CCOC1 512a_100020643023_100015188467 [0,1,0,1,0,0|2,0,0]=4 17934 B12R1.53 CCCOC(=O)CN1CCCC1 2230a_100000188435_200011215008 [0,1,0,1,0,0|2,0,0]=4 17935 B12R1.53 CCCOC(=O)CN1CCCC1 269982a_100000188435_200011215008 [0,1,0,1,0,0|2,0,0]=4 17936 B12R1.53 CCNCC(=O)NC1CCCC1 2230a_100000747513_100000210202 [0,1,0,1,0,0|1,0,0]=3 17937 B12R1.53 CCNCC(=O)NC1CCCC1 2230a_100015525214_100000183512 [0,1,0,1,0,0|1,0,0]=3 17938 B12R1.53 CCNNC(=O)CC1CCCC1 22a_100000756455_100000210891 [0,1,0,1,0,0|2,0,0]=4 17939 B12R1.53 CCNNC(=O)NC1CCCC1 273464a_100000211070_100000756455 [0,1,0,1,0,0|2,0,0]=4 17940 B12R1.53 CCNNC(=O)NC1CCCC1 512a_100000211070_100000756455 [0,1,0,1,0,0|2,0,0]=4 17941 B12R1.53 CCNNC(=O)NC1CCCC1 512a_100000756455_100000211070 [0,1,0,1,0,0|2,0,0]=4 17942 B12R1.53 CCOCC(=O)CC1CCCC1 1458a_100000211967_100000740388 [0,1,0,1,0,0|1,0,0]=3 17943 B12R1.53 CCOCC(=O)CC1CCCO1 1458a_100000211967_100000203698 [0,1,0,1,0,0|2,0,0]=4 17944 B12R1.53 CCOCC(=O)CC1CCOC1 1458a_100000211967_100000702531 [0,1,0,1,0,0|2,0,0]=4 17945 B12R1.53 CCOCC(=O)NC1CCCC1 11a_100000211070_100000211967 [0,1,0,1,0,0|1,0,0]=3 17946 B12R1.53 CCOCC(=O)NC1CCCC1 1626a_100000211070_100000211967 [0,1,0,1,0,0|1,0,0]=3 17947 B12R1.53 CCOCC(=O)NC1CCCC1 240690a_100000211070_100000211967 [0,1,0,1,0,0|1,0,0]=3 17948 B12R1.53 CCOCC(=O)NC1CCCC1 34a_100121572206_100000183512 [0,1,0,1,0,0|1,0,0]=3 17949 B12R1.53 CCOCC(=O)NC1CCCC1 527a_100000211070_100000211967 [0,1,0,1,0,0|1,0,0]=3 17950 B12R1.53 CCOCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000211967 [0,1,0,1,0,0|2,0,0]=4 17951 B12R1.53 CCOCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000211967 [0,1,0,1,0,0|2,0,0]=4 17952 B12R1.53 CCOCC(=O)N[C@H]1CCOC1 11a_100015188467_100000211967 [0,1,0,1,0,0|2,0,0]=4 17953 B12R1.53 CCOCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000211967 [0,1,0,1,0,0|2,0,0]=4 17954 B12R1.53 CCOCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000211967 [0,1,0,1,0,0|2,0,0]=4 17955 B12R1.53 CCOCC(=O)N[C@H]1CCOC1 527a_100015188467_100000211967 [0,1,0,1,0,0|2,0,0]=4 17956 B12R1.53 CCOCC(C)OC1CCCC1 34a_100000718985_100000179811 [0,1,0,1,0,0|1,0,1]=4 17957 B12R1.53 CCOCC(C)OC1CCCC1 7a_100000718985_100000179811 [0,1,0,1,0,0|1,0,1]=4 17958 B12R1.53 CCSCC(=O)CC1CCCC1 1458a_100000230394_100000740388 [0,1,0,1,0,0|1,0,0]=3 17959 B12R1.53 CCSCC(=O)CC1CCCO1 1458a_100000230394_100000203698 [0,1,0,1,0,0|2,0,0]=4 17960 B12R1.53 CCSCC(=O)CC1CCOC1 1458a_100000230394_100000702531 [0,1,0,1,0,0|2,0,0]=4 17961 B12R1.53 CCSCC(=O)NC1CCCC1 11a_100000211070_100000230394 [0,1,0,1,0,0|1,0,0]=3 17962 B12R1.53 CCSCC(=O)NC1CCCC1 1626a_100000211070_100000230394 [0,1,0,1,0,0|1,0,0]=3 17963 B12R1.53 CCSCC(=O)NC1CCCC1 240690a_100000211070_100000230394 [0,1,0,1,0,0|1,0,0]=3 17964 B12R1.53 CCSCC(=O)NC1CCCC1 527a_100000211070_100000230394 [0,1,0,1,0,0|1,0,0]=3 17965 B12R1.53 CCSCC(=O)NC1CCCC1 62a_100000183512_100000210202 [0,1,0,1,0,0|1,0,0]=3 17966 B12R1.53 CCSCC(=O)NC1CCCC1 62a_100000210202_100000183512 [0,1,0,1,0,0|1,0,0]=3 17967 B12R1.53 CCSCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000230394 [0,1,0,1,0,0|2,0,0]=4 17968 B12R1.53 CCSCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000230394 [0,1,0,1,0,0|2,0,0]=4 17969 B12R1.53 CCSCC(=O)N[C@H]1CCOC1 11a_100015188467_100000230394 [0,1,0,1,0,0|2,0,0]=4 17970 B12R1.53 CCSCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000230394 [0,1,0,1,0,0|2,0,0]=4 17971 B12R1.53 CCSCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000230394 [0,1,0,1,0,0|2,0,0]=4 17972 B12R1.53 CCSCC(=O)N[C@H]1CCOC1 527a_100015188467_100000230394 [0,1,0,1,0,0|2,0,0]=4 17973 B12R1.53 CNCCC(=O)NC1CCCC1 2230a_106832991635_100000743710 [0,1,0,1,0,0|1,0,0]=3 17974 B12R1.53 CNCCC(=O)NC1CCCC1 7a_106832991635_100000743710 [0,1,0,1,0,0|1,0,0]=3 17975 B12R1.53 COCCC(=O)C=C1CCCC1 1458a_100000743260_100000233755 [0,1,0,1,0,0|1,0,1]=4 17976 B12R1.53 COCCC(=O)CC1CCCC1 1458a_100000210891_100000233755 [0,1,0,1,0,0|1,0,0]=3 17977 B12R1.53 COCCC(=O)CC1CCCC1 1458a_100000749529_100000740388 [0,1,0,1,0,0|1,0,0]=3 17978 B12R1.53 COCCC(=O)CC1CCCO1 1458a_100000749529_100000203698 [0,1,0,1,0,0|2,0,0]=4 17979 B12R1.53 COCCC(=O)CC1CCOC1 1458a_100000749529_100000702531 [0,1,0,1,0,0|2,0,0]=4 17980 B12R1.53 COCCC(=O)CC1CCOC1 1458a_100011218419_100000233755 [0,1,0,1,0,0|2,0,0]=4 17981 B12R1.53 COCCC(=O)CN1CCCC1 1458a_100000740243_100000233755 [0,1,0,1,0,0|2,0,0]=4 17982 B12R1.53 COCCC(=O)NC1CCCC1 11a_100000211070_100000749529 [0,1,0,1,0,0|1,0,0]=3 17983 B12R1.53 COCCC(=O)NC1CCCC1 1626a_100000211070_100000749529 [0,1,0,1,0,0|1,0,0]=3 17984 B12R1.53 COCCC(=O)NC1CCCC1 240690a_100000211070_100000749529 [0,1,0,1,0,0|1,0,0]=3 17985 B12R1.53 COCCC(=O)NC1CCCC1 527a_100000211070_100000749529 [0,1,0,1,0,0|1,0,0]=3 17986 B12R1.53 COCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000749529 [0,1,0,1,0,0|2,0,0]=4 17987 B12R1.53 COCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000749529 [0,1,0,1,0,0|2,0,0]=4 17988 B12R1.53 COCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000749529 [0,1,0,1,0,0|2,0,0]=4 17989 B12R1.53 COCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000749529 [0,1,0,1,0,0|2,0,0]=4 17990 B12R1.53 COCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000749529 [0,1,0,1,0,0|2,0,0]=4 17991 B12R1.53 COCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000749529 [0,1,0,1,0,0|2,0,0]=4 17992 B12R1.53 CSCCC(=O)C=C1CCCC1 1458a_100000743260_100000751147 [0,1,0,1,0,0|1,0,1]=4 17993 B12R1.53 CSCCC(=O)CC1CCCC1 1458a_100000174002_100000740388 [0,1,0,1,0,0|1,0,0]=3 17994 B12R1.53 CSCCC(=O)CC1CCCC1 1458a_100000210891_100000751147 [0,1,0,1,0,0|1,0,0]=3 17995 B12R1.53 CSCCC(=O)CC1CCCO1 1458a_100000174002_100000203698 [0,1,0,1,0,0|2,0,0]=4 17996 B12R1.53 CSCCC(=O)CC1CCOC1 1458a_100000174002_100000702531 [0,1,0,1,0,0|2,0,0]=4 17997 B12R1.53 CSCCC(=O)CC1CCOC1 1458a_100011218419_100000751147 [0,1,0,1,0,0|2,0,0]=4 17998 B12R1.53 CSCCC(=O)CN1CCCC1 1458a_100000740243_100000751147 [0,1,0,1,0,0|2,0,0]=4 17999 B12R1.53 CSCCC(=O)NC1CCCC1 11a_100000211070_100000174002 [0,1,0,1,0,0|1,0,0]=3 18000 B12R1.53 CSCCC(=O)NC1CCCC1 1626a_100000211070_100000174002 [0,1,0,1,0,0|1,0,0]=3 18001 B12R1.53 CSCCC(=O)NC1CCCC1 240690a_100000211070_100000174002 [0,1,0,1,0,0|1,0,0]=3 18002 B12R1.53 CSCCC(=O)NC1CCCC1 527a_100000211070_100000174002 [0,1,0,1,0,0|1,0,0]=3 18003 B12R1.53 CSCCC(=O)NC1CCCC1 62a_100000743710_200000210301 [0,1,0,1,0,0|1,0,0]=3 18004 B12R1.53 CSCCC(=O)NC1CCCC1 62a_200000210301_100000743710 [0,1,0,1,0,0|1,0,0]=3 18005 B12R1.53 CSCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000174002 [0,1,0,1,0,0|2,0,0]=4 18006 B12R1.53 CSCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000174002 [0,1,0,1,0,0|2,0,0]=4 18007 B12R1.53 CSCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000174002 [0,1,0,1,0,0|2,0,0]=4 18008 B12R1.53 CSCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000174002 [0,1,0,1,0,0|2,0,0]=4 18009 B12R1.53 CSCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000174002 [0,1,0,1,0,0|2,0,0]=4 18010 B12R1.53 CSCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000174002 [0,1,0,1,0,0|2,0,0]=4 18011 B12R1.53 N#CCCC(=O)CC1CCCC1 1458a_100000210891_100011215226 [0,1,0,1,0,0|1,0,1]=4 18012 B12R1.53 N#CCCC(=O)CC1CCCC1 1458a_100011934036_100000740388 [0,1,0,1,0,0|1,0,1]=4 18013 B12R1.53 N#CCCC(=O)NC1CCCC1 11a_100000211070_100011934036 [0,1,0,1,0,0|1,0,1]=4 18014 B12R1.53 N#CCCC(=O)NC1CCCC1 1626a_100000211070_100011934036 [0,1,0,1,0,0|1,0,1]=4 18015 B12R1.53 N#CCCC(=O)NC1CCCC1 240690a_100000211070_100011934036 [0,1,0,1,0,0|1,0,1]=4 18016 B12R1.53 N#CCCC(=O)NC1CCCC1 527a_100000211070_100011934036 [0,1,0,1,0,0|1,0,1]=4 18017 B12R1.53 O=C(C=C1CCCC1)CCCF 1458a_100000743260_100011934791 [0,1,0,1,0,0|1,0,1]=4 18018 B12R1.53 O=C(C=C1CCCC1)CCCO 1458a_100000743260_100011215043 [0,1,0,1,0,0|1,0,1]=4 18019 B12R1.53 O=C(CC1CCCC1)NCCF 11a_100000724931_100000210891 [0,1,0,1,0,0|2,0,0]=4 18020 B12R1.53 O=C(CC1CCCC1)NCCF 1626a_100000724931_100000210891 [0,1,0,1,0,0|2,0,0]=4 18021 B12R1.53 O=C(CC1CCCC1)NCCF 240690a_100000724931_100000210891 [0,1,0,1,0,0|2,0,0]=4 18022 B12R1.53 O=C(CC1CCCC1)NCCF 527a_100000724931_100000210891 [0,1,0,1,0,0|2,0,0]=4 18023 B12R1.53 O=C(CC1CCCC1)NCCO 240690a_100000210304_100000210891 [0,1,0,1,0,0|2,0,0]=4 18024 B12R1.53 O=C(CC1CCCC1)NCCO 527a_100000210304_100000210891 [0,1,0,1,0,0|2,0,0]=4 18025 B12R1.53 O=C(CCCF)CC1CCCC1 1458a_100000210891_100011934791 [0,1,0,1,0,0|1,0,0]=3 18026 B12R1.53 O=C(CCCF)CC1CCOC1 1458a_100011218419_100011934791 [0,1,0,1,0,0|2,0,0]=4 18027 B12R1.53 O=C(CCCF)CN1CCCC1 1458a_100000740243_100011934791 [0,1,0,1,0,0|2,0,0]=4 18028 B12R1.53 O=C(CCCO)CC1CCCC1 1458a_100000210891_100011215043 [0,1,0,1,0,0|1,0,0]=3 18029 B12R1.53 O=C(CCCO)CC1CCOC1 1458a_100011218419_100011215043 [0,1,0,1,0,0|2,0,0]=4 18030 B12R1.53 O=C(CCCO)CN1CCCC1 1458a_100000740243_100011215043 [0,1,0,1,0,0|2,0,0]=4 18031 B12R1.53 O=C(CSCF)NC1CCCC1 62a_100000183512_100015361967 [0,1,0,1,0,0|2,0,0]=4 18032 B12R1.53 O=C(CSCF)NC1CCCC1 62a_100015361967_100000183512 [0,1,0,1,0,0|2,0,0]=4 18033 B12R1.53 O=C(NCCF)NC1CCCC1 2708a_100000211070_100000724931 [0,1,0,1,0,0|2,0,0]=4 18034 B12R1.53 O=C(NCCF)NC1CCCC1 273464a_100000211070_100000724931 [0,1,0,1,0,0|2,0,0]=4 18035 B12R1.53 O=C(NCCF)NC1CCCC1 273464a_100000724931_100000211070 [0,1,0,1,0,0|2,0,0]=4 18036 B12R1.53 O=C(NCCF)NC1CCCC1 512a_100000211070_100000724931 [0,1,0,1,0,0|2,0,0]=4 18037 B12R1.53 O=C(NCCO)NC1CCCC1 2708a_100000211070_100000210304 [0,1,0,1,0,0|2,0,0]=4 18038 B12R1.53 O=C(NCCO)NC1CCCC1 273464a_100000210304_100000211070 [0,1,0,1,0,0|2,0,0]=4 18039 B12R1.53 O=C(NCCO)NC1CCCC1 273464a_100000211070_100000210304 [0,1,0,1,0,0|2,0,0]=4 18040 B12R1.53 O=C(NCCO)NC1CCCC1 512a_100000211070_100000210304 [0,1,0,1,0,0|2,0,0]=4 18041 B12R1.53 [13CH3]SCCC(=O)NC1CCCC1 62a_100000743710_200025704644 [0,1,0,1,0,0|1,0,0]=3 18042 B12R1.53 [13CH3]SCCC(=O)NC1CCCC1 62a_200025704644_100000743710 [0,1,0,1,0,0|1,0,0]=3 18043 B12R1.321 CCCCN1CCCNC(=O)C1 2230a_100015190381_100000210211 [0,1,0,1,0,0|2,0,0]=4 18044 B12R1.460 C#CCCC(=O)C1CCCC1C 1458a_100000690547_100000753159 [0,1,0,1,0,0|1,0,1]=4 18045 B12R1.460 C#CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000692101 [0,1,0,1,0,0|1,0,1]=4 18046 B12R1.460 C#CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000692101 [0,1,0,1,0,0|1,0,1]=4 18047 B12R1.460 C#CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000692101 [0,1,0,1,0,0|1,0,1]=4 18048 B12R1.460 C#CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000692101 [0,1,0,1,0,0|1,0,1]=4 18049 B12R1.460 C#CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000692101 [0,1,0,1,0,0|1,0,1]=4 18050 B12R1.460 C/C=C/CC(=O)C1CCCC1C 1458a_100000690547_100102629194 [0,1,0,1,0,0|1,0,1]=4 18051 B12R1.460 C=CCCC(=O)C1CCCC1C 1458a_100000690547_100000754431 [0,1,0,1,0,0|1,0,1]=4 18052 B12R1.460 C=CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000749702 [0,1,0,1,0,0|1,0,1]=4 18053 B12R1.460 C=CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000749702 [0,1,0,1,0,0|1,0,1]=4 18054 B12R1.460 C=CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000749702 [0,1,0,1,0,0|1,0,1]=4 18055 B12R1.460 C=CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000749702 [0,1,0,1,0,0|1,0,1]=4 18056 B12R1.460 C=CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000749702 [0,1,0,1,0,0|1,0,1]=4 18057 B12R1.460 CC#CCC(=O)C1CCCC1C 1458a_100000690547_100000748600 [0,1,0,1,0,0|1,0,1]=4 18058 B12R1.460 CC1CCCC1C(=O)CCC#N 1458a_100000690547_100011215226 [0,1,0,1,0,0|1,0,1]=4 18059 B12R1.460 CC1CCCC1C(=O)CCCF 1458a_100000690547_100011934791 [0,1,0,1,0,0|1,0,0]=3 18060 B12R1.460 CC1CCCC1C(=O)CCCO 1458a_100000690547_100011215043 [0,1,0,1,0,0|1,0,0]=3 18061 B12R1.460 CC1CCCC1C(=O)NCCF 11a_100000724931_100000690547 [0,1,0,1,0,0|2,0,0]=4 18062 B12R1.460 CC1CCCC1C(=O)NCCF 1626a_100000724931_100000690547 [0,1,0,1,0,0|2,0,0]=4 18063 B12R1.460 CC1CCCC1C(=O)NCCF 240690a_100000724931_100000690547 [0,1,0,1,0,0|2,0,0]=4 18064 B12R1.460 CC1CCCC1C(=O)NCCF 527a_100000724931_100000690547 [0,1,0,1,0,0|2,0,0]=4 18065 B12R1.460 CC1CCCC1C(=O)NCCO 240690a_100000210304_100000690547 [0,1,0,1,0,0|2,0,0]=4 18066 B12R1.460 CC1CCCC1C(=O)NCCO 527a_100000210304_100000690547 [0,1,0,1,0,0|2,0,0]=4 18067 B12R1.460 CC=CCC(=O)C1CCCC1C 1458a_100000690547_100000070051 [0,1,0,1,0,0|1,0,1]=4 18068 B12R1.460 CC=CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100121576822 [0,1,0,1,0,0|1,0,1]=4 18069 B12R1.460 CC=CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100121576822 [0,1,0,1,0,0|1,0,1]=4 18070 B12R1.460 CC=CCC(=O)N1CCC[C@H]1C 11a_100015189458_100121576822 [0,1,0,1,0,0|1,0,1]=4 18071 B12R1.460 CC=CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100121576822 [0,1,0,1,0,0|1,0,1]=4 18072 B12R1.460 CC=CCC(=O)N1CCC[C@H]1C 527a_100015189458_100121576822 [0,1,0,1,0,0|1,0,1]=4 18073 B12R1.460 CCC=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000212282 [0,1,0,1,0,0|1,0,1]=4 18074 B12R1.460 CCC=CC(=O)N1CCC[C@H]1C 11a_100015189458_100000212282 [0,1,0,1,0,0|1,0,1]=4 18075 B12R1.460 CCC=CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000212282 [0,1,0,1,0,0|1,0,1]=4 18076 B12R1.460 CCCCC(=O)C1CCCC1=O 1458a_100000210183_100000211823 [0,1,0,1,0,0|1,0,1]=4 18077 B12R1.460 CCCCC(=O)C1CCCC1C 1458a_100000690547_100000210211 [0,1,0,1,0,0|1,0,0]=3 18078 B12R1.460 CCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210183 [0,1,0,1,0,0|1,0,0]=3 18079 B12R1.460 CCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210183 [0,1,0,1,0,0|1,0,0]=3 18080 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210183 [0,1,0,1,0,0|1,0,0]=3 18081 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210183 [0,1,0,1,0,0|1,0,0]=3 18082 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210183 [0,1,0,1,0,0|1,0,0]=3 18083 B12R1.460 CCCCC(=O)N1CCSC1C 11a_200011216479_100000210183 [0,1,0,1,0,0|2,0,0]=4 18084 B12R1.460 CCCCC(=O)N1CCSC1C 1626a_200011216479_100000210183 [0,1,0,1,0,0|2,0,0]=4 18085 B12R1.460 CCCCC(=O)N1CCSC1C 240690a_200011216479_100000210183 [0,1,0,1,0,0|2,0,0]=4 18086 B12R1.460 CCCCC(=O)N1CCSC1C 527a_200011216479_100000210183 [0,1,0,1,0,0|2,0,0]=4 18087 B12R1.460 CCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210211 [0,1,0,1,0,0|2,0,0]=4 18088 B12R1.460 CCCCN(C)C1CCCC1=O 2230a_100000207549_100000211823 [0,1,0,1,0,0|2,0,0]=4 18089 B12R1.460 CCCCN(C)C1CCCC1=O 269982a_100000207549_100000211823 [0,1,0,1,0,0|2,0,0]=4 18090 B12R1.460 CCCNC(=O)C1CCCC1C 11a_100020643023_100000690547 [0,1,0,1,0,0|1,0,0]=3 18091 B12R1.460 CCCNC(=O)C1CCCC1C 1626a_100020643023_100000690547 [0,1,0,1,0,0|1,0,0]=3 18092 B12R1.460 CCCNC(=O)C1CCCC1C 240690a_100020643023_100000690547 [0,1,0,1,0,0|1,0,0]=3 18093 B12R1.460 CCCNC(=O)C1CCCC1C 527a_100020643023_100000690547 [0,1,0,1,0,0|1,0,0]=3 18094 B12R1.460 CCCNC(=O)N1CCC[C@@H]1C 2708a_100020643023_100020605311 [0,1,0,1,0,0|1,0,0]=3 18095 B12R1.460 CCCNC(=O)N1CCC[C@@H]1C 273464a_100020643023_100020605311 [0,1,0,1,0,0|1,0,0]=3 18096 B12R1.460 CCCNC(=O)N1CCC[C@H]1C 2708a_100020643023_100015189458 [0,1,0,1,0,0|1,0,0]=3 18097 B12R1.460 CCCNC(=O)N1CCC[C@H]1C 273464a_100020643023_100015189458 [0,1,0,1,0,0|1,0,0]=3 18098 B12R1.460 CCCNC(=O)N1CCSC1C 2708a_100020643023_200011216479 [0,1,0,1,0,0|2,0,0]=4 18099 B12R1.460 CCCNC(=O)N1CCSC1C 273464a_100020643023_200011216479 [0,1,0,1,0,0|2,0,0]=4 18100 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C 11a_100020643023_100009816429 [0,1,0,1,0,0|2,0,0]=4 18101 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C 240690a_100020643023_100009816429 [0,1,0,1,0,0|2,0,0]=4 18102 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C 527a_100020643023_100009816429 [0,1,0,1,0,0|2,0,0]=4 18103 B12R1.460 CCNNC(=O)C1CCCC1C 22a_100000756455_100000690547 [0,1,0,1,0,0|2,0,0]=4 18104 B12R1.460 CCOCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211967 [0,1,0,1,0,0|1,0,0]=3 18105 B12R1.460 CCOCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211967 [0,1,0,1,0,0|1,0,0]=3 18106 B12R1.460 CCOCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211967 [0,1,0,1,0,0|1,0,0]=3 18107 B12R1.460 CCOCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211967 [0,1,0,1,0,0|1,0,0]=3 18108 B12R1.460 CCOCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211967 [0,1,0,1,0,0|1,0,0]=3 18109 B12R1.460 CCOCC(=O)N1CCSC1C 11a_200011216479_100000211967 [0,1,0,1,0,0|2,0,0]=4 18110 B12R1.460 CCOCC(=O)N1CCSC1C 1626a_200011216479_100000211967 [0,1,0,1,0,0|2,0,0]=4 18111 B12R1.460 CCOCC(=O)N1CCSC1C 240690a_200011216479_100000211967 [0,1,0,1,0,0|2,0,0]=4 18112 B12R1.460 CCOCC(=O)N1CCSC1C 527a_200011216479_100000211967 [0,1,0,1,0,0|2,0,0]=4 18113 B12R1.460 CCSCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000230394 [0,1,0,1,0,0|1,0,0]=3 18114 B12R1.460 CCSCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000230394 [0,1,0,1,0,0|1,0,0]=3 18115 B12R1.460 CCSCC(=O)N1CCC[C@H]1C 11a_100015189458_100000230394 [0,1,0,1,0,0|1,0,0]=3 18116 B12R1.460 CCSCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000230394 [0,1,0,1,0,0|1,0,0]=3 18117 B12R1.460 CCSCC(=O)N1CCC[C@H]1C 527a_100015189458_100000230394 [0,1,0,1,0,0|1,0,0]=3 18118 B12R1.460 CCSCC(=O)N1CCSC1C 11a_200011216479_100000230394 [0,1,0,1,0,0|2,0,0]=4 18119 B12R1.460 CCSCC(=O)N1CCSC1C 1626a_200011216479_100000230394 [0,1,0,1,0,0|2,0,0]=4 18120 B12R1.460 CCSCC(=O)N1CCSC1C 240690a_200011216479_100000230394 [0,1,0,1,0,0|2,0,0]=4 18121 B12R1.460 CCSCC(=O)N1CCSC1C 527a_200011216479_100000230394 [0,1,0,1,0,0|2,0,0]=4 18122 B12R1.460 CN1CCC[C@H]1C(=O)CCCF 1458a_100009816429_100011934791 [0,1,0,1,0,0|2,0,0]=4 18123 B12R1.460 CN1CCC[C@H]1C(=O)CCCO 1458a_100009816429_100011215043 [0,1,0,1,0,0|2,0,0]=4 18124 B12R1.460 COCCC(=O)C1CCCC1C 1458a_100000690547_100000233755 [0,1,0,1,0,0|1,0,0]=3 18125 B12R1.460 COCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000749529 [0,1,0,1,0,0|1,0,0]=3 18126 B12R1.460 COCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000749529 [0,1,0,1,0,0|1,0,0]=3 18127 B12R1.460 COCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000749529 [0,1,0,1,0,0|1,0,0]=3 18128 B12R1.460 COCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000749529 [0,1,0,1,0,0|1,0,0]=3 18129 B12R1.460 COCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000749529 [0,1,0,1,0,0|1,0,0]=3 18130 B12R1.460 COCCC(=O)N1CCSC1C 11a_200011216479_100000749529 [0,1,0,1,0,0|2,0,0]=4 18131 B12R1.460 COCCC(=O)N1CCSC1C 1626a_200011216479_100000749529 [0,1,0,1,0,0|2,0,0]=4 18132 B12R1.460 COCCC(=O)N1CCSC1C 240690a_200011216479_100000749529 [0,1,0,1,0,0|2,0,0]=4 18133 B12R1.460 COCCC(=O)N1CCSC1C 527a_200011216479_100000749529 [0,1,0,1,0,0|2,0,0]=4 18134 B12R1.460 COCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000233755 [0,1,0,1,0,0|2,0,0]=4 18135 B12R1.460 CSCCC(=O)C1CCCC1C 1458a_100000690547_100000751147 [0,1,0,1,0,0|1,0,0]=3 18136 B12R1.460 CSCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000174002 [0,1,0,1,0,0|1,0,0]=3 18137 B12R1.460 CSCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000174002 [0,1,0,1,0,0|1,0,0]=3 18138 B12R1.460 CSCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000174002 [0,1,0,1,0,0|1,0,0]=3 18139 B12R1.460 CSCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000174002 [0,1,0,1,0,0|1,0,0]=3 18140 B12R1.460 CSCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000174002 [0,1,0,1,0,0|1,0,0]=3 18141 B12R1.460 CSCCC(=O)N1CCSC1C 11a_200011216479_100000174002 [0,1,0,1,0,0|2,0,0]=4 18142 B12R1.460 CSCCC(=O)N1CCSC1C 1626a_200011216479_100000174002 [0,1,0,1,0,0|2,0,0]=4 18143 B12R1.460 CSCCC(=O)N1CCSC1C 240690a_200011216479_100000174002 [0,1,0,1,0,0|2,0,0]=4 18144 B12R1.460 CSCCC(=O)N1CCSC1C 527a_200011216479_100000174002 [0,1,0,1,0,0|2,0,0]=4 18145 B12R1.460 CSCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000751147 [0,1,0,1,0,0|2,0,0]=4 18146 B12R1.460 C[C@@H]1CCCN1C(=O)CCC#N 11a_100015189458_100011934036 [0,1,0,1,0,0|1,0,1]=4 18147 B12R1.460 C[C@@H]1CCCN1C(=O)CCC#N 240690a_100015189458_100011934036 [0,1,0,1,0,0|1,0,1]=4 18148 B12R1.460 C[C@@H]1CCCN1C(=O)CCC#N 527a_100015189458_100011934036 [0,1,0,1,0,0|1,0,1]=4 18149 B12R1.460 C[C@@H]1CCCN1C(=O)NCCF 273464a_100000724931_100015189458 [0,1,0,1,0,0|2,0,0]=4 18150 B12R1.460 C[C@@H]1CCCN1C(=O)NCCO 273464a_100000210304_100015189458 [0,1,0,1,0,0|2,0,0]=4 18151 B12R1.460 C[C@H]1CCCN1C(=O)CCC#N 240690a_100020605311_100011934036 [0,1,0,1,0,0|1,0,1]=4 18152 B12R1.460 C[C@H]1CCCN1C(=O)CCC#N 527a_100020605311_100011934036 [0,1,0,1,0,0|1,0,1]=4 18153 B12R1.460 C[C@H]1CCCN1C(=O)NCCF 273464a_100000724931_100020605311 [0,1,0,1,0,0|2,0,0]=4 18154 B12R1.460 C[C@H]1CCCN1C(=O)NCCO 273464a_100000210304_100020605311 [0,1,0,1,0,0|2,0,0]=4 18155 B12R1.519 CC(NC(=O)CCO)C1CCC1 240690a_100016994624_100011216618 [0,1,0,1,0,0|2,0,0]=4 18156 B12R1.519 CCCC(=O)CC(=O)C1CCC1 1458a_100000209988_100000747444 [0,1,0,1,0,0|1,0,1]=4 18157 B12R1.519 CCCC(=O)CC(=O)C1CCC1 1458a_100000211992_100000686122 [0,1,0,1,0,0|1,0,1]=4 18158 B12R1.519 CCCC(=O)CN(C)C1CCC1 2230a_100000758072_100000747444 [0,1,0,1,0,0|2,0,0]=4 18159 B12R1.519 CCCC(=O)CN(C)C1CCC1 269982a_100000758072_100000747444 [0,1,0,1,0,0|2,0,0]=4 18160 B12R1.519 CCCC(=O)NC(C)C1CCC1 11a_100016994624_100000211992 [0,1,0,1,0,0|1,0,0]=3 18161 B12R1.519 CCCC(=O)NC(C)C1CCC1 1626a_100016994624_100000211992 [0,1,0,1,0,0|1,0,0]=3 18162 B12R1.519 CCCC(=O)NC(C)C1CCC1 240690a_100016994624_100000211992 [0,1,0,1,0,0|1,0,0]=3 18163 B12R1.519 CCCC(=O)NC(C)C1CCC1 527a_100016994624_100000211992 [0,1,0,1,0,0|1,0,0]=3 18164 B12R1.519 CCCC(C)OC(C)C1CCC1 34a_100000766398_100000766640 [0,1,0,1,0,0|1,0,1]=4 18165 B12R1.519 CCCC(C)OC(C)C1CCC1 7a_100000766398_100000766640 [0,1,0,1,0,0|1,0,1]=4 18166 B12R1.519 CCNC(=O)NC(C)C1CCC1 2708a_100015525214_100016994624 [0,1,0,1,0,0|2,0,0]=4 18167 B12R1.519 CCNC(=O)NC(C)C1CCC1 2708a_100016994624_100015525214 [0,1,0,1,0,0|2,0,0]=4 18168 B12R1.519 CCNC(=O)NC(C)C1CCC1 273464a_100015525214_100016994624 [0,1,0,1,0,0|2,0,0]=4 18169 B12R1.519 CCNC(=O)NC(C)C1CCC1 273464a_100016994624_100015525214 [0,1,0,1,0,0|2,0,0]=4 18170 B12R1.519 CCNC(=O)NC(C)C1CCC1 512a_100015525214_100016994624 [0,1,0,1,0,0|2,0,0]=4 18171 B12R1.519 CCNC(=O)NC(C)C1CCC1 512a_100016994624_100015525214 [0,1,0,1,0,0|2,0,0]=4 18172 B12R1.519 CCOC(=O)OC(C)N1CCC1 269982a_100000754969_100000036008 [0,1,0,1,0,0|2,0,0]=4 18173 B12R1.519 COCC(=O)NC(C)C1CCC1 11a_100016994624_100000210968 [0,1,0,1,0,0|2,0,0]=4 18174 B12R1.519 COCC(=O)NC(C)C1CCC1 1626a_100016994624_100000210968 [0,1,0,1,0,0|2,0,0]=4 18175 B12R1.519 COCC(=O)NC(C)C1CCC1 240690a_100016994624_100000210968 [0,1,0,1,0,0|2,0,0]=4 18176 B12R1.519 COCC(=O)NC(C)C1CCC1 527a_100016994624_100000210968 [0,1,0,1,0,0|2,0,0]=4 18177 B12R1.519 CSCC(=O)NC(C)C1CCC1 11a_100016994624_100000184570 [0,1,0,1,0,0|2,0,0]=4 18178 B12R1.519 CSCC(=O)NC(C)C1CCC1 1626a_100016994624_100000184570 [0,1,0,1,0,0|2,0,0]=4 18179 B12R1.519 CSCC(=O)NC(C)C1CCC1 240690a_100016994624_100000184570 [0,1,0,1,0,0|2,0,0]=4 18180 B12R1.519 CSCC(=O)NC(C)C1CCC1 527a_100016994624_100000184570 [0,1,0,1,0,0|2,0,0]=4 18181 B12R1.521 CCCC(=O)CC(=O)CC1CC1 1458a_100000738066_100000747444 [0,1,0,1,0,0|1,0,1]=4 18182 B12R1.521 CCCC(=O)CN(C)CC1CC1 2230a_100000741881_100000747444 [0,1,0,1,0,0|2,0,0]=4 18183 B12R1.521 CCCC(=O)CN(C)CC1CC1 269982a_100000741881_100000747444 [0,1,0,1,0,0|2,0,0]=4 18184 B12R1.521 CCCC(=O)CS(=O)CC1CC1 1458a_100011387478_100000210303 [0,1,0,1,0,0|2,0,0]=4 18185 B12R1.521 CCOC(=O)OC(C)SC1CC1 62a_100000036008_100000211595 [0,1,0,1,0,0|2,0,0]=4 18186 B12R1.841 CCCCC(=O)CC(=O)C1CC1 1458a_100000210183_100000746382 [0,1,0,1,0,0|1,0,1]=4 18187 B12R1.841 CCCCC(C)NC(=O)C1CC1 11a_100000126638_100000210395 [0,1,0,1,0,0|1,0,0]=3 18188 B12R1.841 CCCCC(C)NC(=O)C1CC1 1626a_100000126638_100000210395 [0,1,0,1,0,0|1,0,0]=3 18189 B12R1.841 CCCCC(C)NC(=O)C1CC1 240690a_100000126638_100000210395 [0,1,0,1,0,0|1,0,0]=3 18190 B12R1.841 CCCCC(C)NC(=O)C1CC1 527a_100000126638_100000210395 [0,1,0,1,0,0|1,0,0]=3 18191 B12R1.841 CCCCC(C)NC(=O)C1CO1 11a_100000126638_100000701028 [0,1,0,1,0,0|2,0,0]=4 18192 B12R1.841 CCCCC(C)NC(=O)C1CO1 1626a_100000126638_100000701028 [0,1,0,1,0,0|2,0,0]=4 18193 B12R1.841 CCCCC(C)NC(=O)C1CO1 240690a_100000126638_100000701028 [0,1,0,1,0,0|2,0,0]=4 18194 B12R1.841 CCCCC(C)NC(=O)C1CO1 527a_100000126638_100000701028 [0,1,0,1,0,0|2,0,0]=4 18195 B12R1.841 CCCCC(C)OC(C)C1CC1 34a_100000744524_200011215066 [0,1,0,1,0,0|1,0,1]=4 18196 B12R1.841 CCCCC(C)OC(C)C1CC1 7a_100000744524_200011215066 [0,1,0,1,0,0|1,0,1]=4 18197 B12R1.841 CCCCN(C)CC(=O)C1CC1 2230a_100000207549_100000746382 [0,1,0,1,0,0|2,0,0]=4 18198 B12R1.841 CCCCN(C)CC(=O)C1CC1 269982a_100000207549_100000746382 [0,1,0,1,0,0|2,0,0]=4 18199 B12R1.1589 CC1CCC(N1C(=O)CCO)C 240690a_100000687148_100011216618 [0,1,0,1,0,0|2,0,0]=4 18200 B12R1.1589 CCCC(=O)N1C(CCC1C)C 11a_100000687148_100000211992 [0,1,0,1,0,0|1,0,0]=3 18201 B12R1.1589 CCCC(=O)N1C(CCC1C)C 240690a_100000687148_100000211992 [0,1,0,1,0,0|1,0,0]=3 18202 B12R1.1589 CCCC(=O)N1C(CCC1C)C 527a_100000687148_100000211992 [0,1,0,1,0,0|1,0,0]=3 18203 B12R1.1589 CCNC(=O)N1C(CCC1C)C 2708a_100015525214_100000687148 [0,1,0,1,0,0|2,0,0]=4 18204 B12R1.1589 CCNC(=O)N1C(CCC1C)C 273464a_100015525214_100000687148 [0,1,0,1,0,0|2,0,0]=4 18205 B12R1.1589 COCC(=O)N1C(CCC1C)C 11a_100000687148_100000210968 [0,1,0,1,0,0|2,0,0]=4 18206 B12R1.1589 COCC(=O)N1C(CCC1C)C 240690a_100000687148_100000210968 [0,1,0,1,0,0|2,0,0]=4 18207 B12R1.1589 COCC(=O)N1C(CCC1C)C 527a_100000687148_100000210968 [0,1,0,1,0,0|2,0,0]=4 18208 B12R1.1589 CSCC(=O)N1C(CCC1C)C 11a_100000687148_100000184570 [0,1,0,1,0,0|2,0,0]=4 18209 B12R1.1589 CSCC(=O)N1C(CCC1C)C 240690a_100000687148_100000184570 [0,1,0,1,0,0|2,0,0]=4 18210 B12R1.1589 CSCC(=O)N1C(CCC1C)C 527a_100000687148_100000184570 [0,1,0,1,0,0|2,0,0]=4 18211 B12R1.1618 CCCC(=O)NC1(CCOC1)C 11a_100000693475_100000211992 [0,1,0,1,0,0|2,0,0]=4 18212 B12R1.1618 CCCC(=O)NC1(CCOC1)C 1626a_100000693475_100000211992 [0,1,0,1,0,0|2,0,0]=4 18213 B12R1.1618 CCCC(=O)NC1(CCOC1)C 240690a_100000693475_100000211992 [0,1,0,1,0,0|2,0,0]=4 18214 B12R1.1618 CCCC(=O)NC1(CCOC1)C 527a_100000693475_100000211992 [0,1,0,1,0,0|2,0,0]=4 18215 B12R1.1618 CCCC(C)OC1(CCCC1)C 34a_100000751722_100000766640 [0,1,0,1,0,0|1,0,1]=4 18216 B12R1.1618 CCCC(C)OC1(CCCC1)C 7a_100000751722_100000766640 [0,1,0,1,0,0|1,0,1]=4 18217 B12R1.1621 CCCC(=O)CN1CC(C1)CC 2230a_100015205115_100000747444 [0,1,0,1,0,0|2,0,0]=4 18218 B12R1.1621 CCCC(=O)CN1CC(C1)CC 269982a_100015205115_100000747444 [0,1,0,1,0,0|2,0,0]=4 18219 B12R1.1621 CCCC(=O)NC1CC(C1)CO 240690a_100000095622_100000211992 [0,1,0,1,0,0|2,0,0]=4 18220 B12R1.1621 CCCC(=O)NC1CC(C1)CO 527a_100000095622_100000211992 [0,1,0,1,0,0|2,0,0]=4 18221 B12R1.1621 CCCC(=O)NC1CN(C1)CC 11a_200015199589_100000211992 [0,1,0,1,0,0|2,0,0]=4 18222 B12R1.1621 CCCC(=O)NC1CN(C1)CC 1626a_200015199589_100000211992 [0,1,0,1,0,0|2,0,0]=4 18223 B12R1.1621 CCCC(=O)NC1CN(C1)CC 240690a_200015199589_100000211992 [0,1,0,1,0,0|2,0,0]=4 18224 B12R1.1621 CCCC(=O)N[C@H]1C[C@@H](C1)OC 11a_100121570643_100000211992 [0,1,0,1,0,0|2,0,0]=4 18225 B12R1.1621 CCCC(=O)N[C@H]1C[C@@H](C1)OC 1626a_100121570643_100000211992 [0,1,0,1,0,0|2,0,0]=4 18226 B12R1.1621 CCCC(=O)N[C@H]1C[C@@H](C1)OC 240690a_100121570643_100000211992 [0,1,0,1,0,0|2,0,0]=4 18227 B12R1.1621 CCCC(=O)N[C@H]1C[C@@H](C1)OC 527a_100121570643_100000211992 [0,1,0,1,0,0|2,0,0]=4 18228 B12R1.2044 CCCCC(C)OC1(CCC1)C 34a_100000759064_200011215066 [0,1,0,1,0,0|1,0,1]=4 18229 B12R1.2044 CCCCC(C)OC1(CCC1)C 7a_100000759064_200011215066 [0,1,0,1,0,0|1,0,1]=4 18230 B12R1.3418 CCCC(=O)CC(=O)C1CC1C 1458a_100000211227_100000747444 [0,1,0,1,0,0|1,0,1]=4 18231 B12R1.17 CC1CCCC(C1)C(=O)CCF 1458a_100011215569_100011217306 [0,1,0,1,0,0|2,0,0]=4 18232 B12R1.17 CC1CCCC(C1)C(=O)CCO 1458a_100011215569_100000211926 [0,1,0,1,0,0|2,0,0]=4 18233 B12R1.17 CC1CCCN(C1)C(=O)CS[13CH3] 62a_100000182890_200025704644 [0,1,0,1,0,0|2,0,0]=4 18234 B12R1.17 CCCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210303 [0,1,0,1,0,0|1,0,0]=3 18235 B12R1.17 CCCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210303 [0,1,0,1,0,0|1,0,0]=3 18236 B12R1.17 CCCC(=O)C1CCCN(C1)C 1458a_100015257587_100000210303 [0,1,0,1,0,0|2,0,0]=4 18237 B12R1.17 CCCC(=O)N1CCCC(C1)F 11a_100000697950_100000211992 [0,1,0,1,0,0|1,0,0]=3 18238 B12R1.17 CCCC(=O)N1CCCC(C1)F 1626a_100000697950_100000211992 [0,1,0,1,0,0|1,0,0]=3 18239 B12R1.17 CCCC(=O)N1CCCC(C1)F 240690a_100000697950_100000211992 [0,1,0,1,0,0|1,0,0]=3 18240 B12R1.17 CCCC(=O)N1CCCC(C1)F 527a_100000697950_100000211992 [0,1,0,1,0,0|1,0,0]=3 18241 B12R1.17 CCCC(=O)N1CCCC(C1)O 240690a_100000211013_100000211992 [0,1,0,1,0,0|1,0,0]=3 18242 B12R1.17 CCCC(=O)N1CCCC(C1)O 527a_100000211013_100000211992 [0,1,0,1,0,0|1,0,0]=3 18243 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000211992 [0,1,0,1,0,0|1,0,0]=3 18244 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000211992 [0,1,0,1,0,0|1,0,0]=3 18245 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000211992 [0,1,0,1,0,0|1,0,0]=3 18246 B12R1.17 CCCC(=O)N1CCOC(C1)C 11a_100000729577_100000211992 [0,1,0,1,0,0|2,0,0]=4 18247 B12R1.17 CCCC(=O)N1CCOC(C1)C 1626a_100000729577_100000211992 [0,1,0,1,0,0|2,0,0]=4 18248 B12R1.17 CCCC(=O)N1CCOC(C1)C 240690a_100000729577_100000211992 [0,1,0,1,0,0|2,0,0]=4 18249 B12R1.17 CCCC(=O)N1CCOC(C1)C 527a_100000729577_100000211992 [0,1,0,1,0,0|2,0,0]=4 18250 B12R1.17 CCCC(=O)N1CCOC(C1)O 11a_100000688207_100000211992 [0,1,0,1,0,0|2,0,0]=4 18251 B12R1.17 CCCC(=O)N1CCOC(C1)O 240690a_100000688207_100000211992 [0,1,0,1,0,0|2,0,0]=4 18252 B12R1.17 CCCC(=O)N1CCOC(C1)O 527a_100000688207_100000211992 [0,1,0,1,0,0|2,0,0]=4 18253 B12R1.17 CCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210303 [0,1,0,1,0,0|1,0,1]=4 18254 B12R1.17 CCNC(=O)C1CCCC(C1)C 11a_100015525214_100011215569 [0,1,0,1,0,0|2,0,0]=4 18255 B12R1.17 CCNC(=O)C1CCCC(C1)C 240690a_100015525214_100011215569 [0,1,0,1,0,0|2,0,0]=4 18256 B12R1.17 CCNC(=O)C1CCCC(C1)C 527a_100015525214_100011215569 [0,1,0,1,0,0|2,0,0]=4 18257 B12R1.17 CCNC(=O)C1CCCC(C1)O 240690a_100015525214_100000707227 [0,1,0,1,0,0|2,0,0]=4 18258 B12R1.17 CCNC(=O)N1CCCC(C1)F 2708a_100015525214_100000697950 [0,1,0,1,0,0|2,0,0]=4 18259 B12R1.17 CCNC(=O)N1CCCC(C1)F 273464a_100015525214_100000697950 [0,1,0,1,0,0|2,0,0]=4 18260 B12R1.17 CCNC(=O)N1CCCC(C1)O 2708a_100015525214_100000211013 [0,1,0,1,0,0|2,0,0]=4 18261 B12R1.17 CCNC(=O)N1CCCC(C1)O 273464a_100015525214_100000211013 [0,1,0,1,0,0|2,0,0]=4 18262 B12R1.17 CCNC(=O)N1CCC[C@@H](C1)C 2708a_100015525214_100000717927 [0,1,0,1,0,0|2,0,0]=4 18263 B12R1.17 CCNC(=O)N1CCC[C@@H](C1)C 273464a_100015525214_100000717927 [0,1,0,1,0,0|2,0,0]=4 18264 B12R1.17 CNCC(=O)N1CCCC(C1)C 2230a_106832991635_100000182890 [0,1,0,1,0,0|2,0,0]=4 18265 B12R1.17 CNCC(=O)N1CCCC(C1)C 34a_100102657272_100000182890 [0,1,0,1,0,0|2,0,0]=4 18266 B12R1.17 CNCC(=O)N1CCCC(C1)C 7a_106832991635_100000182890 [0,1,0,1,0,0|2,0,0]=4 18267 B12R1.17 COCC(=O)N1CCCC(C1)C 34a_100138415774_100000182890 [0,1,0,1,0,0|2,0,0]=4 18268 B12R1.17 COCC(=O)N1CCCC(C1)F 11a_100000697950_100000210968 [0,1,0,1,0,0|2,0,0]=4 18269 B12R1.17 COCC(=O)N1CCCC(C1)F 1626a_100000697950_100000210968 [0,1,0,1,0,0|2,0,0]=4 18270 B12R1.17 COCC(=O)N1CCCC(C1)F 240690a_100000697950_100000210968 [0,1,0,1,0,0|2,0,0]=4 18271 B12R1.17 COCC(=O)N1CCCC(C1)F 527a_100000697950_100000210968 [0,1,0,1,0,0|2,0,0]=4 18272 B12R1.17 COCC(=O)N1CCCC(C1)O 240690a_100000211013_100000210968 [0,1,0,1,0,0|2,0,0]=4 18273 B12R1.17 COCC(=O)N1CCCC(C1)O 527a_100000211013_100000210968 [0,1,0,1,0,0|2,0,0]=4 18274 B12R1.17 COCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000210968 [0,1,0,1,0,0|2,0,0]=4 18275 B12R1.17 COCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000210968 [0,1,0,1,0,0|2,0,0]=4 18276 B12R1.17 COCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000210968 [0,1,0,1,0,0|2,0,0]=4 18277 B12R1.17 CSCC(=O)N1CCCC(C1)C 62a_100000182890_200000210301 [0,1,0,1,0,0|2,0,0]=4 18278 B12R1.17 CSCC(=O)N1CCCC(C1)F 11a_100000697950_100000184570 [0,1,0,1,0,0|2,0,0]=4 18279 B12R1.17 CSCC(=O)N1CCCC(C1)F 1626a_100000697950_100000184570 [0,1,0,1,0,0|2,0,0]=4 18280 B12R1.17 CSCC(=O)N1CCCC(C1)F 240690a_100000697950_100000184570 [0,1,0,1,0,0|2,0,0]=4 18281 B12R1.17 CSCC(=O)N1CCCC(C1)F 527a_100000697950_100000184570 [0,1,0,1,0,0|2,0,0]=4 18282 B12R1.17 CSCC(=O)N1CCCC(C1)O 240690a_100000211013_100000184570 [0,1,0,1,0,0|2,0,0]=4 18283 B12R1.17 CSCC(=O)N1CCCC(C1)O 527a_100000211013_100000184570 [0,1,0,1,0,0|2,0,0]=4 18284 B12R1.17 CSCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000184570 [0,1,0,1,0,0|2,0,0]=4 18285 B12R1.17 CSCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000184570 [0,1,0,1,0,0|2,0,0]=4 18286 B12R1.17 CSCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000184570 [0,1,0,1,0,0|2,0,0]=4 18287 B12R1.17 C[C@H]1CCCN(C1)C(=O)CCO 240690a_100000717927_100011216618 [0,1,0,1,0,0|2,0,0]=4 18288 B12R1.17 O=C(CCF)C1CCCC(C1)O 1458a_100000707227_100011217306 [0,1,0,1,0,0|2,0,0]=4 18289 B12R1.17 O=C(CCO)C1CCCC(C1)O 1458a_100000707227_100000211926 [0,1,0,1,0,0|2,0,0]=4 18290 B12R1.17 O=C(CCO)N1CCCC(C1)F 240690a_100000697950_100011216618 [0,1,0,1,0,0|2,0,0]=4 18291 B12R1.17 O=C(CCO)N1CCCC(C1)O 240690a_100000211013_100011216618 [0,1,0,1,0,0|2,0,0]=4 18292 B12R1.178 CCCC(=O)C1CC(C1)COC 1458a_100000138301_100000210303 [0,1,0,1,0,0|2,0,0]=4 18293 B12R1.178 CCCC(=O)N1CC(C1)COC 11a_100016993750_100000211992 [0,1,0,1,0,0|2,0,0]=4 18294 B12R1.178 CCCC(=O)N1CC(C1)COC 240690a_100016993750_100000211992 [0,1,0,1,0,0|2,0,0]=4 18295 B12R1.178 CCCC(=O)N1CC(C1)COC 527a_100016993750_100000211992 [0,1,0,1,0,0|2,0,0]=4 18296 B12R1.178 CCCC(=O)N1CC(C1)OCC 11a_100000732654_100000211992 [0,1,0,1,0,0|2,0,0]=4 18297 B12R1.178 CCCC(=O)N1CC(C1)OCC 1626a_100000732654_100000211992 [0,1,0,1,0,0|2,0,0]=4 18298 B12R1.178 CCCC(=O)N1CC(C1)OCC 240690a_100000732654_100000211992 [0,1,0,1,0,0|2,0,0]=4 18299 B12R1.178 CCCC(=O)N1CC(C1)OCC 527a_100000732654_100000211992 [0,1,0,1,0,0|2,0,0]=4 18300 B12R1.313 CCCC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_100000210303 [0,1,0,1,0,0|2,0,0]=4 18301 B12R1.467 C=C1CC(C1)CNC(=O)CCC 11a_100102567296_100000211992 [0,1,0,1,0,0|1,0,1]=4 18302 B12R1.467 C=C1CC(C1)CNC(=O)CCC 1626a_100102567296_100000211992 [0,1,0,1,0,0|1,0,1]=4 18303 B12R1.467 C=C1CC(C1)CNC(=O)CCC 240690a_100102567296_100000211992 [0,1,0,1,0,0|1,0,1]=4 18304 B12R1.467 C=C1CC(C1)CNC(=O)CCC 527a_100102567296_100000211992 [0,1,0,1,0,0|1,0,1]=4 18305 B12R1.467 CCCC(=O)CNC1CC(C1)F 2230a_100016993743_100000747444 [0,1,0,1,0,0|2,0,0]=4 18306 B12R1.467 CCCC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000747444 [0,1,0,1,0,0|2,0,0]=4 18307 B12R1.467 CCCC(=O)NCC1CC(C1)O 11a_100016992100_100000211992 [0,1,0,1,0,0|1,0,0]=3 18308 B12R1.467 CCCC(=O)NCC1CC(C1)O 240690a_100016992100_100000211992 [0,1,0,1,0,0|1,0,0]=3 18309 B12R1.467 CCCC(=O)NCC1CN(C1)C 240690a_100000723568_100000211992 [0,1,0,1,0,0|2,0,0]=4 18310 B12R1.467 CCCC(=O)OCN1CC(C1)C 2230a_100000702820_100000034017 [0,1,0,1,0,0|1,0,0]=3 18311 B12R1.467 CCCC(=O)OCN1CC(C1)C 269982a_100000702820_100000034017 [0,1,0,1,0,0|1,0,0]=3 18312 B12R1.467 CCCC(=O)OCN1CC(C1)C 34a_100000702820_100000034017 [0,1,0,1,0,0|1,0,0]=3 18313 B12R1.467 CCCC(=O)OCN1CC(C1)F 2230a_100000690557_100000034017 [0,1,0,1,0,0|1,0,0]=3 18314 B12R1.467 CCCC(=O)OCN1CC(C1)F 269982a_100000690557_100000034017 [0,1,0,1,0,0|1,0,0]=3 18315 B12R1.467 CCCC(=O)OCN1CC(C1)F 34a_100000690557_100000034017 [0,1,0,1,0,0|1,0,0]=3 18316 B12R1.467 CCCC(=O)OCN1CC(C1)O 269982a_100000749847_100000034017 [0,1,0,1,0,0|1,0,0]=3 18317 B12R1.467 CCCC(C)OCC1CC(C1)Cl 34a_100009874164_100000766640 [0,1,0,1,0,0|1,0,1]=4 18318 B12R1.467 CCNC(=O)NCC1CC(C1)O 2708a_100015525214_100016992100 [0,1,0,1,0,0|2,0,0]=4 18319 B12R1.467 CCNC(=O)NCC1CC(C1)O 2708a_100016992100_100015525214 [0,1,0,1,0,0|2,0,0]=4 18320 B12R1.467 CCNC(=O)NCC1CC(C1)O 273464a_100015525214_100016992100 [0,1,0,1,0,0|2,0,0]=4 18321 B12R1.467 CCNC(=O)NCC1CC(C1)O 273464a_100016992100_100015525214 [0,1,0,1,0,0|2,0,0]=4 18322 B12R1.467 CCNC(=O)NCC1CC(C1)O 512a_100015525214_100016992100 [0,1,0,1,0,0|2,0,0]=4 18323 B12R1.467 CCNC(=O)NCC1CC(C1)O 512a_100016992100_100015525214 [0,1,0,1,0,0|2,0,0]=4 18324 B12R1.467 COCC(=O)NCC1CC(C1)O 11a_100016992100_100000210968 [0,1,0,1,0,0|2,0,0]=4 18325 B12R1.467 COCC(=O)NCC1CC(C1)O 240690a_100016992100_100000210968 [0,1,0,1,0,0|2,0,0]=4 18326 B12R1.467 CSCC(=O)NCC1CC(C1)O 11a_100016992100_100000184570 [0,1,0,1,0,0|2,0,0]=4 18327 B12R1.467 CSCC(=O)NCC1CC(C1)O 240690a_100016992100_100000184570 [0,1,0,1,0,0|2,0,0]=4 18328 B12R1.467 O=C(CCO)NCC1CC(C1)O 240690a_100016992100_100011216618 [0,1,0,1,0,0|2,0,0]=4 18329 B12R1.686 CCCC(=O)CNC(C)C1CC1 2230a_100000700016_100000747444 [0,1,0,1,0,0|2,0,0]=4 18330 B12R1.686 CCCC(=O)COC(=O)C1CC1 1458a_100000211992_100000140896 [0,1,0,1,0,0|0,0,1]=3 18331 B12R1.686 CCCC(=O)COC(C)C1CC1 1458a_200000137917_100000210303 [0,1,0,1,0,0|2,0,0]=4 18332 B12R1.686 CCCC(=O)COC(C)C1CC1 7a_100000744524_100000747444 [0,1,0,1,0,0|2,0,0]=4 18333 B12R1.686 CCCC(=O)NCC(O)C1CC1 11a_100000751198_100000211992 [0,1,0,1,0,0|1,0,0]=3 18334 B12R1.686 CCCC(=O)NCC(O)C1CC1 240690a_100000751198_100000211992 [0,1,0,1,0,0|1,0,0]=3 18335 B12R1.686 CCCC(=O)NCC(O)C1CC1 527a_100000751198_100000211992 [0,1,0,1,0,0|1,0,0]=3 18336 B12R1.686 CCCC(=O)OCC(=O)C1CC1 1458a_100000210395_100000034017 [0,1,0,1,0,0|0,0,1]=3 18337 B12R1.686 CCCC(=O)OCC(=O)C1CO1 1458a_100000701028_100000034017 [0,1,0,1,0,0|1,0,1]=4 18338 B12R1.686 CCCC(=O)OCN(C)C1CC1 2230a_100000226674_100000034017 [0,1,0,1,0,0|1,0,0]=3 18339 B12R1.686 CCCC(=O)OCN(C)C1CC1 269982a_100000226674_100000034017 [0,1,0,1,0,0|1,0,0]=3 18340 B12R1.686 CCCC(C)COC(C)C1CC1 34a_100000744524_100011216630 [0,1,0,1,0,0|1,0,1]=4 18341 B12R1.686 CCCC(C)COC(C)C1CC1 7a_100000744524_100011216630 [0,1,0,1,0,0|1,0,1]=4 18342 B12R1.686 CCCC(C)NCC(=O)C1CC1 2230a_100000741246_100000746382 [0,1,0,1,0,0|2,0,0]=4 18343 B12R1.686 CCCC(C)OCC(=O)C1CC1 34a_100000686663_100000766640 [0,1,0,1,0,0|2,0,0]=4 18344 B12R1.686 CCCC(C)OCC(=O)C1CC1 34a_100000764384_100000746382 [0,1,0,1,0,0|2,0,0]=4 18345 B12R1.686 CCCC(C)OCC(=O)C1CC1 7a_100000764384_100000746382 [0,1,0,1,0,0|2,0,0]=4 18346 B12R1.686 CCCC(C)OC[C@H](N)C1CC1 34a_100020623730_100000766640 [0,1,0,1,0,0|1,0,1]=4 18347 B12R1.686 CCCC(C)SCC(=O)C1CC1 62a_100000746382_100000766640 [0,1,0,1,0,0|2,0,0]=4 18348 B12R1.686 CCCC(C)SCC(=O)C1CC1 62a_100000766640_100000746382 [0,1,0,1,0,0|2,0,0]=4 18349 B12R1.686 CCCN(C)COC(=O)C1CC1 2230a_100000747261_100000140896 [0,1,0,1,0,0|1,0,0]=3 18350 B12R1.686 CCCN(C)COC(=O)C1CC1 269982a_100000747261_100000140896 [0,1,0,1,0,0|1,0,0]=3 18351 B12R1.686 CCNC(=O)NCC(O)C1CC1 2708a_100015525214_100000751198 [0,1,0,1,0,0|2,0,0]=4 18352 B12R1.686 CCNC(=O)NCC(O)C1CC1 273464a_100000751198_100015525214 [0,1,0,1,0,0|2,0,0]=4 18353 B12R1.686 CCNC(=O)NCC(O)C1CC1 273464a_100015525214_100000751198 [0,1,0,1,0,0|2,0,0]=4 18354 B12R1.686 CCNC(=O)NCC(O)C1CC1 512a_100015525214_100000751198 [0,1,0,1,0,0|2,0,0]=4 18355 B12R1.686 CN(CCO)COC(=O)C1CC1 2230a_100000210263_100000140896 [0,1,0,1,0,0|2,0,0]=4 18356 B12R1.686 CN(CCO)COC(=O)C1CC1 269982a_100000210263_100000140896 [0,1,0,1,0,0|2,0,0]=4 18357 B12R1.686 COCC(=O)COC(=O)C1CC1 1458a_100000210968_100000140896 [0,1,0,1,0,0|1,0,1]=4 18358 B12R1.686 COCC(=O)NCC(O)C1CC1 11a_100000751198_100000210968 [0,1,0,1,0,0|2,0,0]=4 18359 B12R1.686 COCC(=O)NCC(O)C1CC1 240690a_100000751198_100000210968 [0,1,0,1,0,0|2,0,0]=4 18360 B12R1.686 COCC(=O)NCC(O)C1CC1 527a_100000751198_100000210968 [0,1,0,1,0,0|2,0,0]=4 18361 B12R1.686 COCC(O)CNC(=O)C1CC1 240690a_100000756049_100000210395 [0,1,0,1,0,0|2,0,0]=4 18362 B12R1.686 COCC(O)CNC(=O)C1CC1 527a_100000756049_100000210395 [0,1,0,1,0,0|2,0,0]=4 18363 B12R1.686 CSCC(=O)COC(=O)C1CC1 1458a_100000184570_100000140896 [0,1,0,1,0,0|1,0,1]=4 18364 B12R1.686 CSCC(=O)NCC(O)C1CC1 11a_100000751198_100000184570 [0,1,0,1,0,0|2,0,0]=4 18365 B12R1.686 CSCC(=O)NCC(O)C1CC1 240690a_100000751198_100000184570 [0,1,0,1,0,0|2,0,0]=4 18366 B12R1.686 CSCC(=O)NCC(O)C1CC1 527a_100000751198_100000184570 [0,1,0,1,0,0|2,0,0]=4 18367 B12R1.686 O=C(CCO)COC(=O)C1CC1 1458a_100011216618_100000140896 [0,1,0,1,0,0|1,0,1]=4 18368 B12R1.686 O=C(CCO)NCC(O)C1CC1 240690a_100000751198_100011216618 [0,1,0,1,0,0|2,0,0]=4 18369 B12R1.1573 CC1(CCC1)CNC(=O)CCO 240690a_100000706607_100011216618 [0,1,0,1,0,0|2,0,0]=4 18370 B12R1.1573 CCCC(=O)CNC1(CCC1)C 2230a_100000692455_100000747444 [0,1,0,1,0,0|2,0,0]=4 18371 B12R1.1573 CCCC(=O)COC1(CCC1)C 7a_100000759064_100000747444 [0,1,0,1,0,0|2,0,0]=4 18372 B12R1.1573 CCCC(=O)NCC1(CCC1)C 11a_100000706607_100000211992 [0,1,0,1,0,0|1,0,0]=3 18373 B12R1.1573 CCCC(=O)NCC1(CCC1)C 1626a_100000706607_100000211992 [0,1,0,1,0,0|1,0,0]=3 18374 B12R1.1573 CCCC(=O)NCC1(CCC1)C 240690a_100000706607_100000211992 [0,1,0,1,0,0|1,0,0]=3 18375 B12R1.1573 CCCC(=O)NCC1(CCC1)C 527a_100000706607_100000211992 [0,1,0,1,0,0|1,0,0]=3 18376 B12R1.1573 CCCC(=O)NCC1(CCC1)O 11a_100000752638_100000211992 [0,1,0,1,0,0|1,0,0]=3 18377 B12R1.1573 CCCC(=O)NCC1(CCC1)O 1626a_100000752638_100000211992 [0,1,0,1,0,0|1,0,0]=3 18378 B12R1.1573 CCCC(=O)NCC1(CCC1)O 240690a_100000752638_100000211992 [0,1,0,1,0,0|1,0,0]=3 18379 B12R1.1573 CCCC(=O)NCC1(CCC1)O 527a_100000752638_100000211992 [0,1,0,1,0,0|1,0,0]=3 18380 B12R1.1573 CCCC(=O)NCC1(COC1)C 1626a_100020631278_100000211992 [0,1,0,1,0,0|2,0,0]=4 18381 B12R1.1573 CCCC(=O)NCC1(COC1)C 527a_100020631278_100000211992 [0,1,0,1,0,0|2,0,0]=4 18382 B12R1.1573 CCCC(=O)NCC1(COC1)O 11a_100010264505_100000211992 [0,1,0,1,0,0|2,0,0]=4 18383 B12R1.1573 CCCC(=O)NCC1(COC1)O 240690a_100010264505_100000211992 [0,1,0,1,0,0|2,0,0]=4 18384 B12R1.1573 CCCC(=O)NCC1(COC1)O 527a_100010264505_100000211992 [0,1,0,1,0,0|2,0,0]=4 18385 B12R1.1573 CCCC(C)COC1(CCC1)C 34a_100000759064_100011216630 [0,1,0,1,0,0|1,0,1]=4 18386 B12R1.1573 CCCC(C)COC1(CCC1)C 7a_100000759064_100011216630 [0,1,0,1,0,0|1,0,1]=4 18387 B12R1.1573 CCCC(C)OCC1(CCC1)C 34a_100000764384_100000726658 [0,1,0,1,0,0|1,0,1]=4 18388 B12R1.1573 CCCC(C)OCC1(CCC1)C 7a_100000764384_100000726658 [0,1,0,1,0,0|1,0,1]=4 18389 B12R1.1573 CCNC(=O)NCC1(CCC1)C 2708a_100000706607_100015525214 [0,1,0,1,0,0|2,0,0]=4 18390 B12R1.1573 CCNC(=O)NCC1(CCC1)C 2708a_100015525214_100000706607 [0,1,0,1,0,0|2,0,0]=4 18391 B12R1.1573 CCNC(=O)NCC1(CCC1)C 273464a_100000706607_100015525214 [0,1,0,1,0,0|2,0,0]=4 18392 B12R1.1573 CCNC(=O)NCC1(CCC1)C 273464a_100015525214_100000706607 [0,1,0,1,0,0|2,0,0]=4 18393 B12R1.1573 CCNC(=O)NCC1(CCC1)C 512a_100000706607_100015525214 [0,1,0,1,0,0|2,0,0]=4 18394 B12R1.1573 CCNC(=O)NCC1(CCC1)C 512a_100015525214_100000706607 [0,1,0,1,0,0|2,0,0]=4 18395 B12R1.1573 CCNC(=O)NCC1(CCC1)O 2708a_100000752638_100015525214 [0,1,0,1,0,0|2,0,0]=4 18396 B12R1.1573 CCNC(=O)NCC1(CCC1)O 2708a_100015525214_100000752638 [0,1,0,1,0,0|2,0,0]=4 18397 B12R1.1573 CCNC(=O)NCC1(CCC1)O 273464a_100015525214_100000752638 [0,1,0,1,0,0|2,0,0]=4 18398 B12R1.1573 CCNC(=O)NCC1(CCC1)O 512a_100000752638_100015525214 [0,1,0,1,0,0|2,0,0]=4 18399 B12R1.1573 CCNC(=O)NCC1(CCC1)O 512a_100015525214_100000752638 [0,1,0,1,0,0|2,0,0]=4 18400 B12R1.1573 COCC(=O)NCC1(CCC1)C 11a_100000706607_100000210968 [0,1,0,1,0,0|2,0,0]=4 18401 B12R1.1573 COCC(=O)NCC1(CCC1)C 1626a_100000706607_100000210968 [0,1,0,1,0,0|2,0,0]=4 18402 B12R1.1573 COCC(=O)NCC1(CCC1)C 240690a_100000706607_100000210968 [0,1,0,1,0,0|2,0,0]=4 18403 B12R1.1573 COCC(=O)NCC1(CCC1)C 527a_100000706607_100000210968 [0,1,0,1,0,0|2,0,0]=4 18404 B12R1.1573 COCC(=O)NCC1(CCC1)O 11a_100000752638_100000210968 [0,1,0,1,0,0|2,0,0]=4 18405 B12R1.1573 COCC(=O)NCC1(CCC1)O 1626a_100000752638_100000210968 [0,1,0,1,0,0|2,0,0]=4 18406 B12R1.1573 COCC(=O)NCC1(CCC1)O 240690a_100000752638_100000210968 [0,1,0,1,0,0|2,0,0]=4 18407 B12R1.1573 COCC(=O)NCC1(CCC1)O 527a_100000752638_100000210968 [0,1,0,1,0,0|2,0,0]=4 18408 B12R1.1573 CSCC(=O)NCC1(CCC1)C 11a_100000706607_100000184570 [0,1,0,1,0,0|2,0,0]=4 18409 B12R1.1573 CSCC(=O)NCC1(CCC1)C 1626a_100000706607_100000184570 [0,1,0,1,0,0|2,0,0]=4 18410 B12R1.1573 CSCC(=O)NCC1(CCC1)C 240690a_100000706607_100000184570 [0,1,0,1,0,0|2,0,0]=4 18411 B12R1.1573 CSCC(=O)NCC1(CCC1)C 527a_100000706607_100000184570 [0,1,0,1,0,0|2,0,0]=4 18412 B12R1.1573 CSCC(=O)NCC1(CCC1)O 11a_100000752638_100000184570 [0,1,0,1,0,0|2,0,0]=4 18413 B12R1.1573 CSCC(=O)NCC1(CCC1)O 1626a_100000752638_100000184570 [0,1,0,1,0,0|2,0,0]=4 18414 B12R1.1573 CSCC(=O)NCC1(CCC1)O 240690a_100000752638_100000184570 [0,1,0,1,0,0|2,0,0]=4 18415 B12R1.1573 CSCC(=O)NCC1(CCC1)O 527a_100000752638_100000184570 [0,1,0,1,0,0|2,0,0]=4 18416 B12R1.1573 O=C(CCO)NCC1(CCC1)O 240690a_100000752638_100011216618 [0,1,0,1,0,0|2,0,0]=4 18417 B12R1.8 CCCCCOC1C=CCCC1 34a_100011215024_100000718602 [0,1,0,1,0,0|1,0,1]=4 18418 B12R1.8 CCCCCOC1C=CCCC1 7a_100000210253_100000751183 [0,1,0,1,0,0|1,0,1]=4 18419 B12R1.8 CCCCCOC1CCCCC1 34a_100000210231_100000718602 [0,1,0,1,0,0|1,0,1]=4 18420 B12R1.8 CCCCCOC1CCCCC1 34a_100000210253_100000210327 [0,1,0,1,0,0|1,0,1]=4 18421 B12R1.8 CCCCCOC1CCCCC1 7a_100000210231_100000210326 [0,1,0,1,0,0|1,0,1]=4 18422 B12R1.8 CCCCCOC1CCCCC1 7a_100000210253_100000210327 [0,1,0,1,0,0|1,0,1]=4 18423 B12R1.8 CCCCCOC1CCCCO1 34a_100000033831_100000718602 [0,1,0,1,0,0|0,0,2]=4 18424 B12R1.8 CCCCCOC1CCCOC1 34a_100000210253_100000693364 [0,1,0,1,0,0|0,0,2]=4 18425 B12R1.8 CCCCCOC1CCCOC1 34a_100000754041_100000718602 [0,1,0,1,0,0|0,0,2]=4 18426 B12R1.8 CCCCCOC1CCCOC1 7a_100000210253_100000693364 [0,1,0,1,0,0|0,0,2]=4 18427 B12R1.8 CCCCCOC1CCCSC1 7a_100015962668_100000210326 [0,1,0,1,0,0|0,1,1]=4 18428 B12R1.8 CCCCCOC1CCOCC1 34a_100000744328_100000718602 [0,1,0,1,0,0|1,0,1]=4 18429 B12R1.8 CCCCCOC1CCOCC1 7a_100000210253_100000686592 [0,1,0,1,0,0|1,0,1]=4 18430 B12R1.8 CCCCCOC1CCSCC1 34a_100000210253_100000069128 [0,1,0,1,0,0|1,0,1]=4 18431 B12R1.8 CCCCCOC1CCSCC1 34a_100000731022_100000718602 [0,1,0,1,0,0|1,0,1]=4 18432 B12R1.8 CCCCCOC1CCSCC1 7a_100000210253_100011500858 [0,1,0,1,0,0|1,0,1]=4 18433 B12R1.8 CCCCCOC1CCSCC1 7a_100000731022_100000210326 [0,1,0,1,0,0|1,0,1]=4 18434 B12R1.30 C#CCCC(=O)C1CCCCC1 1458a_100000210647_100000753159 [0,1,0,1,0,0|1,0,1]=4 18435 B12R1.30 C#CCCC(=O)C1CCCCC1 1458a_100000692101_100000210327 [0,1,0,1,0,0|1,0,1]=4 18436 B12R1.30 C/C=C/CC(=O)C1CCCCC1 1458a_100000210647_100102629194 [0,1,0,1,0,0|1,0,1]=4 18437 B12R1.30 C=CCCC(=O)C1CCCCC1 1458a_100000210647_100000754431 [0,1,0,1,0,0|1,0,1]=4 18438 B12R1.30 C=CCCC(=O)C1CCCCC1 1458a_100000749702_100000210327 [0,1,0,1,0,0|1,0,1]=4 18439 B12R1.30 CC#CCC(=O)C1CCCCC1 1458a_100000210647_100000748600 [0,1,0,1,0,0|1,0,1]=4 18440 B12R1.30 CC=CCC(=O)C1CCCCC1 1458a_100000210647_100000070051 [0,1,0,1,0,0|1,0,1]=4 18441 B12R1.30 CC=CCC(=O)C1CCCCC1 1458a_100121576822_100000210327 [0,1,0,1,0,0|1,0,1]=4 18442 B12R1.30 CCC#CC(=O)C1CCCCC1 1458a_100011827653_100000210327 [0,1,0,1,0,0|1,0,1]=4 18443 B12R1.30 CCC=CC(=O)C1CCCCC1 1458a_100000212282_100000210327 [0,1,0,1,0,0|1,0,1]=4 18444 B12R1.30 CCCCC(=O)C1=CCCCC1 1458a_100000765259_100000210211 [0,1,0,1,0,0|1,0,1]=4 18445 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210183_100000210327 [0,1,0,1,0,0|1,0,0]=3 18446 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210647_100000210211 [0,1,0,1,0,0|1,0,0]=3 18447 B12R1.30 CCCCC(=O)C1CCCCO1 1458a_100000748299_100000210211 [0,1,0,1,0,0|2,0,0]=4 18448 B12R1.30 CCCCC(=O)C1CCCOC1 1458a_100000210183_100000693364 [0,1,0,1,0,0|2,0,0]=4 18449 B12R1.30 CCCCC(=O)C1CCCOC1 1458a_100000741522_100000210211 [0,1,0,1,0,0|2,0,0]=4 18450 B12R1.30 CCCCC(=O)C1CCOCC1 1458a_100000195482_100000210211 [0,1,0,1,0,0|2,0,0]=4 18451 B12R1.30 CCCCC(=O)C1CCOCC1 1458a_100000210183_100011324220 [0,1,0,1,0,0|2,0,0]=4 18452 B12R1.30 CCCCC(=O)C1CCSCC1 1458a_100000755232_100000210211 [0,1,0,1,0,0|2,0,0]=4 18453 B12R1.30 CCCCC(=O)N1CCCOC1 11a_100000131196_100000210183 [0,1,0,1,0,0|2,0,0]=4 18454 B12R1.30 CCCCC(=O)N1CCCOC1 240690a_100000131196_100000210183 [0,1,0,1,0,0|2,0,0]=4 18455 B12R1.30 CCCCC(=O)N1CCOCC1 11a_100015191051_100000210183 [0,1,0,1,0,0|2,0,0]=4 18456 B12R1.30 CCCCC(=O)N1CCOCC1 1626a_100015191051_100000210183 [0,1,0,1,0,0|2,0,0]=4 18457 B12R1.30 CCCCC(=O)N1CCOCC1 240690a_100015191051_100000210183 [0,1,0,1,0,0|2,0,0]=4 18458 B12R1.30 CCCCC(=O)N1CCOCC1 527a_100015191051_100000210183 [0,1,0,1,0,0|2,0,0]=4 18459 B12R1.30 CCCCC(=O)N1CCSCC1 11a_100000737611_100000210183 [0,1,0,1,0,0|2,0,0]=4 18460 B12R1.30 CCCCC(=O)N1CCSCC1 240690a_100000737611_100000210183 [0,1,0,1,0,0|2,0,0]=4 18461 B12R1.30 CCCCC(=O)N1CCSCC1 527a_100000737611_100000210183 [0,1,0,1,0,0|2,0,0]=4 18462 B12R1.30 CCCNC(=O)C1=CCCCC1 11a_100020643023_100000765259 [0,1,0,1,0,0|1,0,1]=4 18463 B12R1.30 CCCNC(=O)C1=CCCCC1 1626a_100020643023_100000765259 [0,1,0,1,0,0|1,0,1]=4 18464 B12R1.30 CCCNC(=O)C1=CCCCC1 240690a_100020643023_100000765259 [0,1,0,1,0,0|1,0,1]=4 18465 B12R1.30 CCCNC(=O)C1=CCCCC1 527a_100020643023_100000765259 [0,1,0,1,0,0|1,0,1]=4 18466 B12R1.30 CCCNC(=O)C1CCCCC1 11a_100020643023_100000210647 [0,1,0,1,0,0|1,0,0]=3 18467 B12R1.30 CCCNC(=O)C1CCCCC1 1626a_100020643023_100000210647 [0,1,0,1,0,0|1,0,0]=3 18468 B12R1.30 CCCNC(=O)C1CCCCC1 240690a_100020643023_100000210647 [0,1,0,1,0,0|1,0,0]=3 18469 B12R1.30 CCCNC(=O)C1CCCCC1 527a_100020643023_100000210647 [0,1,0,1,0,0|1,0,0]=3 18470 B12R1.30 CCCNC(=O)C1CCCCO1 11a_100020643023_100000748299 [0,1,0,1,0,0|2,0,0]=4 18471 B12R1.30 CCCNC(=O)C1CCCCO1 1626a_100020643023_100000748299 [0,1,0,1,0,0|2,0,0]=4 18472 B12R1.30 CCCNC(=O)C1CCCCO1 240690a_100020643023_100000748299 [0,1,0,1,0,0|2,0,0]=4 18473 B12R1.30 CCCNC(=O)C1CCCCO1 527a_100020643023_100000748299 [0,1,0,1,0,0|2,0,0]=4 18474 B12R1.30 CCCNC(=O)C1CCCOC1 11a_100020643023_100000741522 [0,1,0,1,0,0|2,0,0]=4 18475 B12R1.30 CCCNC(=O)C1CCCOC1 1626a_100020643023_100000741522 [0,1,0,1,0,0|2,0,0]=4 18476 B12R1.30 CCCNC(=O)C1CCCOC1 240690a_100020643023_100000741522 [0,1,0,1,0,0|2,0,0]=4 18477 B12R1.30 CCCNC(=O)C1CCCOC1 527a_100020643023_100000741522 [0,1,0,1,0,0|2,0,0]=4 18478 B12R1.30 CCCNC(=O)C1CCOCC1 11a_100020643023_100000195482 [0,1,0,1,0,0|2,0,0]=4 18479 B12R1.30 CCCNC(=O)C1CCOCC1 1626a_100020643023_100000195482 [0,1,0,1,0,0|2,0,0]=4 18480 B12R1.30 CCCNC(=O)C1CCOCC1 240690a_100020643023_100000195482 [0,1,0,1,0,0|2,0,0]=4 18481 B12R1.30 CCCNC(=O)C1CCOCC1 527a_100020643023_100000195482 [0,1,0,1,0,0|2,0,0]=4 18482 B12R1.30 CCCNC(=O)C1CCSCC1 11a_100020643023_100000755232 [0,1,0,1,0,0|2,0,0]=4 18483 B12R1.30 CCCNC(=O)C1CCSCC1 1626a_100020643023_100000755232 [0,1,0,1,0,0|2,0,0]=4 18484 B12R1.30 CCCNC(=O)C1CCSCC1 240690a_100020643023_100000755232 [0,1,0,1,0,0|2,0,0]=4 18485 B12R1.30 CCCNC(=O)C1CCSCC1 527a_100020643023_100000755232 [0,1,0,1,0,0|2,0,0]=4 18486 B12R1.30 CCCNC(=O)N1CCCOC1 2708a_100020643023_100000131196 [0,1,0,1,0,0|2,0,0]=4 18487 B12R1.30 CCCNC(=O)N1CCCOC1 273464a_100020643023_100000131196 [0,1,0,1,0,0|2,0,0]=4 18488 B12R1.30 CCCNC(=O)N1CCOCC1 2708a_100020643023_100015191051 [0,1,0,1,0,0|2,0,0]=4 18489 B12R1.30 CCCNC(=O)N1CCOCC1 273464a_100020643023_100015191051 [0,1,0,1,0,0|2,0,0]=4 18490 B12R1.30 CCCNC(=O)N1CCSCC1 2708a_100020643023_100000737611 [0,1,0,1,0,0|2,0,0]=4 18491 B12R1.30 CCCNC(=O)N1CCSCC1 273464a_100020643023_100000737611 [0,1,0,1,0,0|2,0,0]=4 18492 B12R1.30 CCNCC(=O)C1CCCCC1 2230a_100015525214_100000241979 [0,1,0,1,0,0|1,0,0]=3 18493 B12R1.30 CCNCC(=O)C1CCOCC1 2230a_100015525214_100000689883 [0,1,0,1,0,0|2,0,0]=4 18494 B12R1.30 CCNCC(=O)N1CCCCC1 2230a_100000751303_100000210202 [0,1,0,1,0,0|1,0,0]=3 18495 B12R1.30 CCNCC(=O)N1CCCCC1 2230a_100015525214_100000183409 [0,1,0,1,0,0|1,0,0]=3 18496 B12R1.30 CCNCC(=O)N1CCOCC1 2230a_100000697423_100000210202 [0,1,0,1,0,0|2,0,0]=4 18497 B12R1.30 CCNCC(=O)N1CCOCC1 2230a_100015525214_100000183410 [0,1,0,1,0,0|2,0,0]=4 18498 B12R1.30 CCNNC(=O)C1CCCCC1 22a_100000756455_100000210647 [0,1,0,1,0,0|2,0,0]=4 18499 B12R1.30 CCOCC(=O)C1CCCCC1 1458a_100000211967_100000210327 [0,1,0,1,0,0|1,0,0]=3 18500 B12R1.30 CCOCC(=O)C1CCCCC1 34a_100121572206_100000241979 [0,1,0,1,0,0|1,0,0]=3 18501 B12R1.30 CCOCC(=O)C1CCCOC1 1458a_100000211967_100000693364 [0,1,0,1,0,0|2,0,0]=4 18502 B12R1.30 CCOCC(=O)C1CCOCC1 1458a_100000211967_100011324220 [0,1,0,1,0,0|2,0,0]=4 18503 B12R1.30 CCOCC(=O)C1CCOCC1 34a_100121572206_100000689883 [0,1,0,1,0,0|2,0,0]=4 18504 B12R1.30 CCOCC(=O)N1CCCCC1 34a_100121572206_100000183409 [0,1,0,1,0,0|1,0,0]=3 18505 B12R1.30 CCOCC(=O)N1CCCCC1 7a_100011315646_100000210202 [0,1,0,1,0,0|1,0,0]=3 18506 B12R1.30 CCOCC(=O)N1CCCOC1 11a_100000131196_100000211967 [0,1,0,1,0,0|2,0,0]=4 18507 B12R1.30 CCOCC(=O)N1CCCOC1 240690a_100000131196_100000211967 [0,1,0,1,0,0|2,0,0]=4 18508 B12R1.30 CCOCC(=O)N1CCOCC1 11a_100015191051_100000211967 [0,1,0,1,0,0|2,0,0]=4 18509 B12R1.30 CCOCC(=O)N1CCOCC1 1626a_100015191051_100000211967 [0,1,0,1,0,0|2,0,0]=4 18510 B12R1.30 CCOCC(=O)N1CCOCC1 240690a_100015191051_100000211967 [0,1,0,1,0,0|2,0,0]=4 18511 B12R1.30 CCOCC(=O)N1CCOCC1 34a_100121572206_100000183410 [0,1,0,1,0,0|2,0,0]=4 18512 B12R1.30 CCOCC(=O)N1CCOCC1 527a_100015191051_100000211967 [0,1,0,1,0,0|2,0,0]=4 18513 B12R1.30 CCOCC(=O)N1CCOCC1 7a_100000752472_100000210202 [0,1,0,1,0,0|2,0,0]=4 18514 B12R1.30 CCOCC(=O)N1CCSCC1 11a_100000737611_100000211967 [0,1,0,1,0,0|2,0,0]=4 18515 B12R1.30 CCOCC(=O)N1CCSCC1 240690a_100000737611_100000211967 [0,1,0,1,0,0|2,0,0]=4 18516 B12R1.30 CCOCC(=O)N1CCSCC1 527a_100000737611_100000211967 [0,1,0,1,0,0|2,0,0]=4 18517 B12R1.30 CCSCC(=O)C1CCCCC1 1458a_100000230394_100000210327 [0,1,0,1,0,0|1,0,0]=3 18518 B12R1.30 CCSCC(=O)C1CCCCC1 62a_100000210202_100000241979 [0,1,0,1,0,0|1,0,0]=3 18519 B12R1.30 CCSCC(=O)C1CCCCC1 62a_100000241979_100000210202 [0,1,0,1,0,0|1,0,0]=3 18520 B12R1.30 CCSCC(=O)C1CCCOC1 1458a_100000230394_100000693364 [0,1,0,1,0,0|2,0,0]=4 18521 B12R1.30 CCSCC(=O)C1CCOCC1 1458a_100000230394_100011324220 [0,1,0,1,0,0|2,0,0]=4 18522 B12R1.30 CCSCC(=O)C1CCOCC1 62a_100000210202_100000689883 [0,1,0,1,0,0|2,0,0]=4 18523 B12R1.30 CCSCC(=O)C1CCOCC1 62a_100000689883_100000210202 [0,1,0,1,0,0|2,0,0]=4 18524 B12R1.30 CCSCC(=O)N1CCCCC1 62a_100000183409_100000210202 [0,1,0,1,0,0|1,0,0]=3 18525 B12R1.30 CCSCC(=O)N1CCCCC1 62a_100000210202_100000183409 [0,1,0,1,0,0|1,0,0]=3 18526 B12R1.30 CCSCC(=O)N1CCCOC1 11a_100000131196_100000230394 [0,1,0,1,0,0|2,0,0]=4 18527 B12R1.30 CCSCC(=O)N1CCCOC1 240690a_100000131196_100000230394 [0,1,0,1,0,0|2,0,0]=4 18528 B12R1.30 CCSCC(=O)N1CCOCC1 11a_100015191051_100000230394 [0,1,0,1,0,0|2,0,0]=4 18529 B12R1.30 CCSCC(=O)N1CCOCC1 1626a_100015191051_100000230394 [0,1,0,1,0,0|2,0,0]=4 18530 B12R1.30 CCSCC(=O)N1CCOCC1 240690a_100015191051_100000230394 [0,1,0,1,0,0|2,0,0]=4 18531 B12R1.30 CCSCC(=O)N1CCOCC1 527a_100015191051_100000230394 [0,1,0,1,0,0|2,0,0]=4 18532 B12R1.30 CCSCC(=O)N1CCOCC1 62a_100000183410_100000210202 [0,1,0,1,0,0|2,0,0]=4 18533 B12R1.30 CCSCC(=O)N1CCOCC1 62a_100000210202_100000183410 [0,1,0,1,0,0|2,0,0]=4 18534 B12R1.30 CCSCC(=O)N1CCSCC1 11a_100000737611_100000230394 [0,1,0,1,0,0|2,0,0]=4 18535 B12R1.30 CCSCC(=O)N1CCSCC1 240690a_100000737611_100000230394 [0,1,0,1,0,0|2,0,0]=4 18536 B12R1.30 CCSCC(=O)N1CCSCC1 527a_100000737611_100000230394 [0,1,0,1,0,0|2,0,0]=4 18537 B12R1.30 CNCCC(=O)N1CCCCC1 2230a_106832991635_100102558178 [0,1,0,1,0,0|1,0,0]=3 18538 B12R1.30 CNCCC(=O)N1CCCCC1 34a_100102657272_100102558178 [0,1,0,1,0,0|1,0,0]=3 18539 B12R1.30 CNCCC(=O)N1CCCCC1 7a_106832991635_100102558178 [0,1,0,1,0,0|1,0,0]=3 18540 B12R1.30 CNCCC(=O)N1CCOCC1 2230a_100000735667_200000210301 [0,1,0,1,0,0|2,0,0]=4 18541 B12R1.30 CNCCC(=O)N1CCOCC1 2230a_106832991635_100000739706 [0,1,0,1,0,0|2,0,0]=4 18542 B12R1.30 CNCCC(=O)N1CCOCC1 7a_106832991635_100000739706 [0,1,0,1,0,0|2,0,0]=4 18543 B12R1.30 CNCOC(=O)C1CCCCC1 2230a_106832991635_100009893799 [0,1,0,1,0,0|2,0,0]=4 18544 B12R1.30 CNCOC(=O)C1CCCCC1 34a_100102657272_100009893799 [0,1,0,1,0,0|2,0,0]=4 18545 B12R1.30 COCCC(=O)C1=CCCCC1 1458a_100000765259_100000233755 [0,1,0,1,0,0|1,0,1]=4 18546 B12R1.30 COCCC(=O)C1CCCCC1 1458a_100000210647_100000233755 [0,1,0,1,0,0|1,0,0]=3 18547 B12R1.30 COCCC(=O)C1CCCCC1 1458a_100000749529_100000210327 [0,1,0,1,0,0|1,0,0]=3 18548 B12R1.30 COCCC(=O)C1CCCCO1 1458a_100000748299_100000233755 [0,1,0,1,0,0|2,0,0]=4 18549 B12R1.30 COCCC(=O)C1CCCOC1 1458a_100000741522_100000233755 [0,1,0,1,0,0|2,0,0]=4 18550 B12R1.30 COCCC(=O)C1CCCOC1 1458a_100000749529_100000693364 [0,1,0,1,0,0|2,0,0]=4 18551 B12R1.30 COCCC(=O)C1CCOCC1 1458a_100000195482_100000233755 [0,1,0,1,0,0|2,0,0]=4 18552 B12R1.30 COCCC(=O)C1CCOCC1 1458a_100000749529_100011324220 [0,1,0,1,0,0|2,0,0]=4 18553 B12R1.30 COCCC(=O)C1CCSCC1 1458a_100000755232_100000233755 [0,1,0,1,0,0|2,0,0]=4 18554 B12R1.30 COCCC(=O)N1CCCCC1 34a_100138415774_100102558178 [0,1,0,1,0,0|1,0,0]=3 18555 B12R1.30 COCCC(=O)N1CCCOC1 11a_100000131196_100000749529 [0,1,0,1,0,0|2,0,0]=4 18556 B12R1.30 COCCC(=O)N1CCCOC1 240690a_100000131196_100000749529 [0,1,0,1,0,0|2,0,0]=4 18557 B12R1.30 COCCC(=O)N1CCOCC1 11a_100015191051_100000749529 [0,1,0,1,0,0|2,0,0]=4 18558 B12R1.30 COCCC(=O)N1CCOCC1 1626a_100015191051_100000749529 [0,1,0,1,0,0|2,0,0]=4 18559 B12R1.30 COCCC(=O)N1CCOCC1 240690a_100015191051_100000749529 [0,1,0,1,0,0|2,0,0]=4 18560 B12R1.30 COCCC(=O)N1CCOCC1 527a_100015191051_100000749529 [0,1,0,1,0,0|2,0,0]=4 18561 B12R1.30 COCCC(=O)N1CCSCC1 11a_100000737611_100000749529 [0,1,0,1,0,0|2,0,0]=4 18562 B12R1.30 COCCC(=O)N1CCSCC1 240690a_100000737611_100000749529 [0,1,0,1,0,0|2,0,0]=4 18563 B12R1.30 COCCC(=O)N1CCSCC1 527a_100000737611_100000749529 [0,1,0,1,0,0|2,0,0]=4 18564 B12R1.30 COCOC(=O)C1CCCCC1 34a_100138415774_100009893799 [0,1,0,1,0,0|2,0,0]=4 18565 B12R1.30 CSCCC(=O)C1=CCCCC1 1458a_100000765259_100000751147 [0,1,0,1,0,0|1,0,1]=4 18566 B12R1.30 CSCCC(=O)C1CCCCC1 1458a_100000174002_100000210327 [0,1,0,1,0,0|1,0,0]=3 18567 B12R1.30 CSCCC(=O)C1CCCCC1 1458a_100000210647_100000751147 [0,1,0,1,0,0|1,0,0]=3 18568 B12R1.30 CSCCC(=O)C1CCCCO1 1458a_100000748299_100000751147 [0,1,0,1,0,0|2,0,0]=4 18569 B12R1.30 CSCCC(=O)C1CCCOC1 1458a_100000174002_100000693364 [0,1,0,1,0,0|2,0,0]=4 18570 B12R1.30 CSCCC(=O)C1CCCOC1 1458a_100000741522_100000751147 [0,1,0,1,0,0|2,0,0]=4 18571 B12R1.30 CSCCC(=O)C1CCOCC1 1458a_100000174002_100011324220 [0,1,0,1,0,0|2,0,0]=4 18572 B12R1.30 CSCCC(=O)C1CCOCC1 1458a_100000195482_100000751147 [0,1,0,1,0,0|2,0,0]=4 18573 B12R1.30 CSCCC(=O)C1CCSCC1 1458a_100000755232_100000751147 [0,1,0,1,0,0|2,0,0]=4 18574 B12R1.30 CSCCC(=O)N1CCCCC1 62a_100102558178_200000210301 [0,1,0,1,0,0|1,0,0]=3 18575 B12R1.30 CSCCC(=O)N1CCCCC1 62a_200000210301_100102558178 [0,1,0,1,0,0|1,0,0]=3 18576 B12R1.30 CSCCC(=O)N1CCCOC1 11a_100000131196_100000174002 [0,1,0,1,0,0|2,0,0]=4 18577 B12R1.30 CSCCC(=O)N1CCCOC1 240690a_100000131196_100000174002 [0,1,0,1,0,0|2,0,0]=4 18578 B12R1.30 CSCCC(=O)N1CCOCC1 11a_100015191051_100000174002 [0,1,0,1,0,0|2,0,0]=4 18579 B12R1.30 CSCCC(=O)N1CCOCC1 1626a_100015191051_100000174002 [0,1,0,1,0,0|2,0,0]=4 18580 B12R1.30 CSCCC(=O)N1CCOCC1 240690a_100015191051_100000174002 [0,1,0,1,0,0|2,0,0]=4 18581 B12R1.30 CSCCC(=O)N1CCOCC1 527a_100015191051_100000174002 [0,1,0,1,0,0|2,0,0]=4 18582 B12R1.30 CSCCC(=O)N1CCOCC1 62a_100000739706_200000210301 [0,1,0,1,0,0|2,0,0]=4 18583 B12R1.30 CSCCC(=O)N1CCOCC1 62a_200000210301_100000739706 [0,1,0,1,0,0|2,0,0]=4 18584 B12R1.30 CSCCC(=O)N1CCSCC1 11a_100000737611_100000174002 [0,1,0,1,0,0|2,0,0]=4 18585 B12R1.30 CSCCC(=O)N1CCSCC1 240690a_100000737611_100000174002 [0,1,0,1,0,0|2,0,0]=4 18586 B12R1.30 CSCCC(=O)N1CCSCC1 527a_100000737611_100000174002 [0,1,0,1,0,0|2,0,0]=4 18587 B12R1.30 CSCOC(=O)C1CCCCC1 62a_100009893799_200000210301 [0,1,0,1,0,0|2,0,0]=4 18588 B12R1.30 CSCOC(=O)C1CCCCC1 62a_200000210301_100009893799 [0,1,0,1,0,0|2,0,0]=4 18589 B12R1.30 N#CCCC(=O)C1CCCCC1 1458a_100000210647_100011215226 [0,1,0,1,0,0|1,0,1]=4 18590 B12R1.30 N#CCCC(=O)C1CCCCC1 1458a_100011934036_100000210327 [0,1,0,1,0,0|1,0,1]=4 18591 B12R1.30 O=C(CCCF)C1=CCCCC1 1458a_100000765259_100011934791 [0,1,0,1,0,0|1,0,1]=4 18592 B12R1.30 O=C(CCCF)C1CCCCC1 1458a_100000210647_100011934791 [0,1,0,1,0,0|1,0,0]=3 18593 B12R1.30 O=C(CCCF)C1CCCCO1 1458a_100000748299_100011934791 [0,1,0,1,0,0|2,0,0]=4 18594 B12R1.30 O=C(CCCF)C1CCCOC1 1458a_100000741522_100011934791 [0,1,0,1,0,0|2,0,0]=4 18595 B12R1.30 O=C(CCCF)C1CCOCC1 1458a_100000195482_100011934791 [0,1,0,1,0,0|2,0,0]=4 18596 B12R1.30 O=C(CCCF)C1CCSCC1 1458a_100000755232_100011934791 [0,1,0,1,0,0|2,0,0]=4 18597 B12R1.30 O=C(CCCO)C1=CCCCC1 1458a_100000765259_100011215043 [0,1,0,1,0,0|1,0,1]=4 18598 B12R1.30 O=C(CCCO)C1CCCCC1 1458a_100000210647_100011215043 [0,1,0,1,0,0|1,0,0]=3 18599 B12R1.30 O=C(CCCO)C1CCCCO1 1458a_100000748299_100011215043 [0,1,0,1,0,0|2,0,0]=4 18600 B12R1.30 O=C(CCCO)C1CCCOC1 1458a_100000741522_100011215043 [0,1,0,1,0,0|2,0,0]=4 18601 B12R1.30 O=C(CCCO)C1CCOCC1 1458a_100000195482_100011215043 [0,1,0,1,0,0|2,0,0]=4 18602 B12R1.30 O=C(CCCO)C1CCSCC1 1458a_100000755232_100011215043 [0,1,0,1,0,0|2,0,0]=4 18603 B12R1.30 O=C(COCF)N1CCCCC1 7a_100011315646_100015361967 [0,1,0,1,0,0|2,0,0]=4 18604 B12R1.30 O=C(CSCF)C1CCCCC1 62a_100000241979_100015361967 [0,1,0,1,0,0|2,0,0]=4 18605 B12R1.30 O=C(CSCF)C1CCCCC1 62a_100015361967_100000241979 [0,1,0,1,0,0|2,0,0]=4 18606 B12R1.30 O=C(CSCF)N1CCCCC1 62a_100000183409_100015361967 [0,1,0,1,0,0|2,0,0]=4 18607 B12R1.30 O=C(CSCF)N1CCCCC1 62a_100015361967_100000183409 [0,1,0,1,0,0|2,0,0]=4 18608 B12R1.30 O=C(NCCF)C1CCCCC1 11a_100000724931_100000210647 [0,1,0,1,0,0|2,0,0]=4 18609 B12R1.30 O=C(NCCF)C1CCCCC1 1626a_100000724931_100000210647 [0,1,0,1,0,0|2,0,0]=4 18610 B12R1.30 O=C(NCCF)C1CCCCC1 240690a_100000724931_100000210647 [0,1,0,1,0,0|2,0,0]=4 18611 B12R1.30 O=C(NCCF)C1CCCCC1 527a_100000724931_100000210647 [0,1,0,1,0,0|2,0,0]=4 18612 B12R1.30 O=C(NCCO)C1CCCCC1 240690a_100000210304_100000210647 [0,1,0,1,0,0|2,0,0]=4 18613 B12R1.30 O=C(NCCO)C1CCCCC1 527a_100000210304_100000210647 [0,1,0,1,0,0|2,0,0]=4 18614 B12R1.30 [13CH3]NCCC(=O)N1CCOCC1 2230a_100000735667_200025704644 [0,1,0,1,0,0|2,0,0]=4 18615 B12R1.30 [13CH3]SCCC(=O)N1CCCCC1 62a_100102558178_200025704644 [0,1,0,1,0,0|1,0,0]=3 18616 B12R1.30 [13CH3]SCCC(=O)N1CCCCC1 62a_200025704644_100102558178 [0,1,0,1,0,0|1,0,0]=3 18617 B12R1.30 [13CH3]SCCC(=O)N1CCOCC1 62a_100000739706_200025704644 [0,1,0,1,0,0|2,0,0]=4 18618 B12R1.30 [13CH3]SCCC(=O)N1CCOCC1 62a_200025704644_100000739706 [0,1,0,1,0,0|2,0,0]=4 18619 B12R1.30 [13CH3]SCOC(=O)C1CCCCC1 62a_100009893799_200025704644 [0,1,0,1,0,0|2,0,0]=4 18620 B12R1.30 [13CH3]SCOC(=O)C1CCCCC1 62a_200025704644_100009893799 [0,1,0,1,0,0|2,0,0]=4 18621 B12R1.267 CCCCNC1CCCCC1=O 7a_106832991798_100000204591 [0,1,0,1,0,0|2,0,0]=4 18622 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000102301_100000687798 [0,1,0,1,0,0|2,0,0]=4 18623 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000747585_100000210211 [0,1,0,1,0,0|2,0,0]=4 18624 B12R1.267 CCCCNC1CCCNC1=O 34a_100000747585_100000210210 [0,1,0,1,0,0|2,0,0]=4 18625 B12R1.267 CCCCNC1CCCNC1=O 7a_106832991798_100000687798 [0,1,0,1,0,0|2,0,0]=4 18626 B12R1.267 CCCCNC1COCCC1=O 7a_106832991798_100012180262 [0,1,0,1,0,0|2,0,0]=4 18627 B12R1.267 CCCCOC1CCCCC1=O 34a_100000210227_100000754470 [0,1,0,1,0,0|2,0,0]=4 18628 B12R1.267 CCCCOC1CCCCC1=O 34a_100011214950_100000210210 [0,1,0,1,0,0|2,0,0]=4 18629 B12R1.267 CCCCOC1CCCCC1=O 7a_100000210227_100000204591 [0,1,0,1,0,0|2,0,0]=4 18630 B12R1.267 CCCCOC1CCCNC1=O 34a_100000073722_100000210210 [0,1,0,1,0,0|2,0,0]=4 18631 B12R1.267 CCCCOC1CCCNC1=O 34a_100000210227_100000687798 [0,1,0,1,0,0|2,0,0]=4 18632 B12R1.267 CCCCOC1CCCNC1=O 7a_100000210227_100000687798 [0,1,0,1,0,0|2,0,0]=4 18633 B12R1.267 CCCCOC1COCCC1=O 34a_100000210227_100012180262 [0,1,0,1,0,0|2,0,0]=4 18634 B12R1.267 CCCCOC1COCCC1=O 7a_100000210227_100012180262 [0,1,0,1,0,0|2,0,0]=4 18635 B12R1.267 CCCCSC1CCCCC1=O 62a_100000204591_100000210210 [0,1,0,1,0,0|2,0,0]=4 18636 B12R1.267 CCCCSC1CCCCC1=O 62a_100000210211_100000204591 [0,1,0,1,0,0|2,0,0]=4 18637 B12R1.267 CCCCSC1CCCNC1=O 62a_100000210211_100000687798 [0,1,0,1,0,0|2,0,0]=4 18638 B12R1.267 CCCCSC1CCCNC1=O 62a_100000687798_100000210210 [0,1,0,1,0,0|2,0,0]=4 18639 B12R1.267 CCCCSC1COCCC1=O 62a_100000210211_100012180262 [0,1,0,1,0,0|2,0,0]=4 18640 B12R1.267 CCCCSC1COCCC1=O 62a_100012180262_100000210210 [0,1,0,1,0,0|2,0,0]=4 18641 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [0,1,0,1,0,0|2,0,0]=4 18642 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [0,1,0,1,0,0|2,0,0]=4 18643 B12R1.267 CCNCCN1CCCCC1=O 2230a_100160573077_100000210202 [0,1,0,1,0,0|2,0,0]=4 18644 B12R1.267 CCNCCN1CCCCC1=O 34a_100160573077_100000210202 [0,1,0,1,0,0|2,0,0]=4 18645 B12R1.463 C#CCCC(=O)NCC1CCC1 11a_100000738700_100000692101 [0,1,0,1,0,0|1,0,1]=4 18646 B12R1.463 C#CCCC(=O)NCC1CCC1 1626a_100000738700_100000692101 [0,1,0,1,0,0|1,0,1]=4 18647 B12R1.463 C#CCCC(=O)NCC1CCC1 240690a_100000738700_100000692101 [0,1,0,1,0,0|1,0,1]=4 18648 B12R1.463 C#CCCC(=O)NCC1CCC1 527a_100000738700_100000692101 [0,1,0,1,0,0|1,0,1]=4 18649 B12R1.463 C=CCCC(=O)NCC1CCC1 11a_100000738700_100000749702 [0,1,0,1,0,0|1,0,1]=4 18650 B12R1.463 C=CCCC(=O)NCC1CCC1 1626a_100000738700_100000749702 [0,1,0,1,0,0|1,0,1]=4 18651 B12R1.463 C=CCCC(=O)NCC1CCC1 240690a_100000738700_100000749702 [0,1,0,1,0,0|1,0,1]=4 18652 B12R1.463 C=CCCC(=O)NCC1CCC1 527a_100000738700_100000749702 [0,1,0,1,0,0|1,0,1]=4 18653 B12R1.463 CC(CCCCl)OCC1CCC1 34a_200000718107_100000763275 [0,1,0,1,0,0|1,0,1]=4 18654 B12R1.463 CC(CCCCl)OCC1CCC1 7a_200000718107_100000763275 [0,1,0,1,0,0|1,0,1]=4 18655 B12R1.463 CC=CCC(=O)NCC1CCC1 11a_100000738700_100121576822 [0,1,0,1,0,0|1,0,1]=4 18656 B12R1.463 CC=CCC(=O)NCC1CCC1 1626a_100000738700_100121576822 [0,1,0,1,0,0|1,0,1]=4 18657 B12R1.463 CC=CCC(=O)NCC1CCC1 240690a_100000738700_100121576822 [0,1,0,1,0,0|1,0,1]=4 18658 B12R1.463 CC=CCC(=O)NCC1CCC1 527a_100000738700_100121576822 [0,1,0,1,0,0|1,0,1]=4 18659 B12R1.463 CCC=CC(=O)NCC1CCC1 11a_100000738700_100000212282 [0,1,0,1,0,0|1,0,1]=4 18660 B12R1.463 CCC=CC(=O)NCC1CCC1 1626a_100000738700_100000212282 [0,1,0,1,0,0|1,0,1]=4 18661 B12R1.463 CCC=CC(=O)NCC1CCC1 240690a_100000738700_100000212282 [0,1,0,1,0,0|1,0,1]=4 18662 B12R1.463 CCCCC(=O)NCC1CCC1 11a_100000738700_100000210183 [0,1,0,1,0,0|1,0,0]=3 18663 B12R1.463 CCCCC(=O)NCC1CCC1 1626a_100000738700_100000210183 [0,1,0,1,0,0|1,0,0]=3 18664 B12R1.463 CCCCC(=O)NCC1CCC1 240690a_100000738700_100000210183 [0,1,0,1,0,0|1,0,0]=3 18665 B12R1.463 CCCCC(=O)NCC1CCC1 527a_100000738700_100000210183 [0,1,0,1,0,0|1,0,0]=3 18666 B12R1.463 CCCCC(=O)NCC1COC1 11a_100015281925_100000210183 [0,1,0,1,0,0|2,0,0]=4 18667 B12R1.463 CCCCC(=O)NCC1COC1 1626a_100015281925_100000210183 [0,1,0,1,0,0|2,0,0]=4 18668 B12R1.463 CCCCC(=O)NCC1COC1 240690a_100015281925_100000210183 [0,1,0,1,0,0|2,0,0]=4 18669 B12R1.463 CCCCC(=O)NCC1COC1 527a_100015281925_100000210183 [0,1,0,1,0,0|2,0,0]=4 18670 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210183 [0,1,0,1,0,0|2,0,0]=4 18671 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210183 [0,1,0,1,0,0|2,0,0]=4 18672 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210183 [0,1,0,1,0,0|2,0,0]=4 18673 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210183 [0,1,0,1,0,0|2,0,0]=4 18674 B12R1.463 CCCCC(=O)NNC1CCC1 22a_100000736358_100000210183 [0,1,0,1,0,0|2,0,0]=4 18675 B12R1.463 CCCCC(C)OCC1CCC1 34a_100000687866_100000763275 [0,1,0,1,0,0|1,0,1]=4 18676 B12R1.463 CCCCC(C)OCC1CCC1 34a_100000760304_200011215066 [0,1,0,1,0,0|1,0,1]=4 18677 B12R1.463 CCCCC(C)OCC1CCC1 7a_100000687866_100000763275 [0,1,0,1,0,0|1,0,1]=4 18678 B12R1.463 CCCNC(=O)CNC1CCC1 2230a_100000749019_100000183358 [0,1,0,1,0,0|2,0,0]=4 18679 B12R1.463 CCCNC(=O)CNC1CCC1 270004a_100000174927_100000241760 [0,1,0,1,0,0|2,0,0]=4 18680 B12R1.463 CCCNC(=O)CNC1CCC1 34a_100000749019_100000183358 [0,1,0,1,0,0|2,0,0]=4 18681 B12R1.463 CCCNC(=O)COC1CCC1 34a_100000748187_100000183358 [0,1,0,1,0,0|2,0,0]=4 18682 B12R1.463 CCCNC(=O)CSC1CCC1 62a_100000183358_100000749161 [0,1,0,1,0,0|2,0,0]=4 18683 B12R1.463 CCCNC(=O)NCC1CCC1 2708a_100000738700_100020643023 [0,1,0,1,0,0|1,0,0]=3 18684 B12R1.463 CCCNC(=O)NCC1CCC1 2708a_100020643023_100000738700 [0,1,0,1,0,0|1,0,0]=3 18685 B12R1.463 CCCNC(=O)NCC1CCC1 273464a_100000738700_100020643023 [0,1,0,1,0,0|1,0,0]=3 18686 B12R1.463 CCCNC(=O)NCC1CCC1 273464a_100020643023_100000738700 [0,1,0,1,0,0|1,0,0]=3 18687 B12R1.463 CCCNC(=O)NCC1CCC1 512a_100000738700_100020643023 [0,1,0,1,0,0|1,0,0]=3 18688 B12R1.463 CCCNC(=O)NCC1CCC1 512a_100020643023_100000738700 [0,1,0,1,0,0|1,0,0]=3 18689 B12R1.463 CCCNC(=O)NCC1COC1 2708a_100015281925_100020643023 [0,1,0,1,0,0|2,0,0]=4 18690 B12R1.463 CCCNC(=O)NCC1COC1 2708a_100020643023_100015281925 [0,1,0,1,0,0|2,0,0]=4 18691 B12R1.463 CCCNC(=O)NCC1COC1 273464a_100015281925_100020643023 [0,1,0,1,0,0|2,0,0]=4 18692 B12R1.463 CCCNC(=O)NCC1COC1 273464a_100020643023_100015281925 [0,1,0,1,0,0|2,0,0]=4 18693 B12R1.463 CCCNC(=O)NCC1COC1 512a_100015281925_100020643023 [0,1,0,1,0,0|2,0,0]=4 18694 B12R1.463 CCCNC(=O)NCC1COC1 512a_100020643023_100015281925 [0,1,0,1,0,0|2,0,0]=4 18695 B12R1.463 CCCNC(=O)NC[C@@H]1CCO1 2708a_100020643023_100020831831 [0,1,0,1,0,0|2,0,0]=4 18696 B12R1.463 CCCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100020643023 [0,1,0,1,0,0|2,0,0]=4 18697 B12R1.463 CCCNC(=O)NC[C@@H]1CCO1 273464a_100020643023_100020831831 [0,1,0,1,0,0|2,0,0]=4 18698 B12R1.463 CCCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100020643023 [0,1,0,1,0,0|2,0,0]=4 18699 B12R1.463 CCCNC(=O)NC[C@@H]1CCO1 512a_100020643023_100020831831 [0,1,0,1,0,0|2,0,0]=4 18700 B12R1.463 CCCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100020643023 [0,1,0,1,0,0|2,0,0]=4 18701 B12R1.463 CCCNC(=O)NNC1CCC1 273464a_100020643023_100000736358 [0,1,0,1,0,0|2,0,0]=4 18702 B12R1.463 CCCNC(=O)NNC1CCC1 512a_100000736358_100020643023 [0,1,0,1,0,0|2,0,0]=4 18703 B12R1.463 CCCNC(=O)NNC1CCC1 512a_100020643023_100000736358 [0,1,0,1,0,0|2,0,0]=4 18704 B12R1.463 CCCOC(=O)CNC1CCC1 2230a_100000749019_200011215008 [0,1,0,1,0,0|2,0,0]=4 18705 B12R1.463 CCCOC(=O)CNC1CCC1 34a_100000749019_200011215008 [0,1,0,1,0,0|2,0,0]=4 18706 B12R1.463 CCCOC(=O)COC1CCC1 34a_100000748187_200011215008 [0,1,0,1,0,0|2,0,0]=4 18707 B12R1.463 CCCOC(=O)CSC1CCC1 62a_200011215008_100000749161 [0,1,0,1,0,0|2,0,0]=4 18708 B12R1.463 CCCOC(=O)OCN1CCC1 269982a_100000754969_200000139673 [0,1,0,1,0,0|1,0,0]=3 18709 B12R1.463 CCNNC(=O)NCC1CCC1 273464a_100000738700_100000756455 [0,1,0,1,0,0|2,0,0]=4 18710 B12R1.463 CCNNC(=O)NCC1CCC1 512a_100000738700_100000756455 [0,1,0,1,0,0|2,0,0]=4 18711 B12R1.463 CCNNC(=O)NCC1CCC1 512a_100000756455_100000738700 [0,1,0,1,0,0|2,0,0]=4 18712 B12R1.463 CCOCC(=O)NCC1CCC1 11a_100000738700_100000211967 [0,1,0,1,0,0|1,0,0]=3 18713 B12R1.463 CCOCC(=O)NCC1CCC1 1626a_100000738700_100000211967 [0,1,0,1,0,0|1,0,0]=3 18714 B12R1.463 CCOCC(=O)NCC1CCC1 240690a_100000738700_100000211967 [0,1,0,1,0,0|1,0,0]=3 18715 B12R1.463 CCOCC(=O)NCC1CCC1 527a_100000738700_100000211967 [0,1,0,1,0,0|1,0,0]=3 18716 B12R1.463 CCOCC(=O)NCC1COC1 11a_100015281925_100000211967 [0,1,0,1,0,0|2,0,0]=4 18717 B12R1.463 CCOCC(=O)NCC1COC1 1626a_100015281925_100000211967 [0,1,0,1,0,0|2,0,0]=4 18718 B12R1.463 CCOCC(=O)NCC1COC1 240690a_100015281925_100000211967 [0,1,0,1,0,0|2,0,0]=4 18719 B12R1.463 CCOCC(=O)NCC1COC1 527a_100015281925_100000211967 [0,1,0,1,0,0|2,0,0]=4 18720 B12R1.463 CCOCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000211967 [0,1,0,1,0,0|2,0,0]=4 18721 B12R1.463 CCOCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000211967 [0,1,0,1,0,0|2,0,0]=4 18722 B12R1.463 CCOCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000211967 [0,1,0,1,0,0|2,0,0]=4 18723 B12R1.463 CCOCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000211967 [0,1,0,1,0,0|2,0,0]=4 18724 B12R1.463 CCOCC(=O)NNC1CCC1 22a_100000736358_100000211967 [0,1,0,1,0,0|2,0,0]=4 18725 B12R1.463 CCOCC(C)OCC1CCC1 34a_100000718985_100000763275 [0,1,0,1,0,0|1,0,1]=4 18726 B12R1.463 CCOCC(C)OCC1CCC1 7a_100000718985_100000763275 [0,1,0,1,0,0|1,0,1]=4 18727 B12R1.463 CCSCC(=O)NCC1CCC1 11a_100000738700_100000230394 [0,1,0,1,0,0|1,0,0]=3 18728 B12R1.463 CCSCC(=O)NCC1CCC1 1626a_100000738700_100000230394 [0,1,0,1,0,0|1,0,0]=3 18729 B12R1.463 CCSCC(=O)NCC1CCC1 240690a_100000738700_100000230394 [0,1,0,1,0,0|1,0,0]=3 18730 B12R1.463 CCSCC(=O)NCC1CCC1 527a_100000738700_100000230394 [0,1,0,1,0,0|1,0,0]=3 18731 B12R1.463 CCSCC(=O)NCC1COC1 11a_100015281925_100000230394 [0,1,0,1,0,0|2,0,0]=4 18732 B12R1.463 CCSCC(=O)NCC1COC1 1626a_100015281925_100000230394 [0,1,0,1,0,0|2,0,0]=4 18733 B12R1.463 CCSCC(=O)NCC1COC1 240690a_100015281925_100000230394 [0,1,0,1,0,0|2,0,0]=4 18734 B12R1.463 CCSCC(=O)NCC1COC1 527a_100015281925_100000230394 [0,1,0,1,0,0|2,0,0]=4 18735 B12R1.463 CCSCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000230394 [0,1,0,1,0,0|2,0,0]=4 18736 B12R1.463 CCSCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000230394 [0,1,0,1,0,0|2,0,0]=4 18737 B12R1.463 CCSCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000230394 [0,1,0,1,0,0|2,0,0]=4 18738 B12R1.463 CCSCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000230394 [0,1,0,1,0,0|2,0,0]=4 18739 B12R1.463 CCSCC(=O)NNC1CCC1 22a_100000736358_100000230394 [0,1,0,1,0,0|2,0,0]=4 18740 B12R1.463 COCCC(=O)NCC1CCC1 11a_100000738700_100000749529 [0,1,0,1,0,0|1,0,0]=3 18741 B12R1.463 COCCC(=O)NCC1CCC1 1626a_100000738700_100000749529 [0,1,0,1,0,0|1,0,0]=3 18742 B12R1.463 COCCC(=O)NCC1CCC1 240690a_100000738700_100000749529 [0,1,0,1,0,0|1,0,0]=3 18743 B12R1.463 COCCC(=O)NCC1CCC1 527a_100000738700_100000749529 [0,1,0,1,0,0|1,0,0]=3 18744 B12R1.463 COCCC(=O)NCC1COC1 11a_100015281925_100000749529 [0,1,0,1,0,0|2,0,0]=4 18745 B12R1.463 COCCC(=O)NCC1COC1 1626a_100015281925_100000749529 [0,1,0,1,0,0|2,0,0]=4 18746 B12R1.463 COCCC(=O)NCC1COC1 240690a_100015281925_100000749529 [0,1,0,1,0,0|2,0,0]=4 18747 B12R1.463 COCCC(=O)NCC1COC1 527a_100015281925_100000749529 [0,1,0,1,0,0|2,0,0]=4 18748 B12R1.463 COCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000749529 [0,1,0,1,0,0|2,0,0]=4 18749 B12R1.463 COCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000749529 [0,1,0,1,0,0|2,0,0]=4 18750 B12R1.463 COCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000749529 [0,1,0,1,0,0|2,0,0]=4 18751 B12R1.463 COCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000749529 [0,1,0,1,0,0|2,0,0]=4 18752 B12R1.463 COCCC(=O)NNC1CCC1 22a_100000736358_100000749529 [0,1,0,1,0,0|2,0,0]=4 18753 B12R1.463 CSCCC(=O)NCC1CCC1 11a_100000738700_100000174002 [0,1,0,1,0,0|1,0,0]=3 18754 B12R1.463 CSCCC(=O)NCC1CCC1 1626a_100000738700_100000174002 [0,1,0,1,0,0|1,0,0]=3 18755 B12R1.463 CSCCC(=O)NCC1CCC1 240690a_100000738700_100000174002 [0,1,0,1,0,0|1,0,0]=3 18756 B12R1.463 CSCCC(=O)NCC1CCC1 527a_100000738700_100000174002 [0,1,0,1,0,0|1,0,0]=3 18757 B12R1.463 CSCCC(=O)NCC1COC1 11a_100015281925_100000174002 [0,1,0,1,0,0|2,0,0]=4 18758 B12R1.463 CSCCC(=O)NCC1COC1 1626a_100015281925_100000174002 [0,1,0,1,0,0|2,0,0]=4 18759 B12R1.463 CSCCC(=O)NCC1COC1 240690a_100015281925_100000174002 [0,1,0,1,0,0|2,0,0]=4 18760 B12R1.463 CSCCC(=O)NCC1COC1 527a_100015281925_100000174002 [0,1,0,1,0,0|2,0,0]=4 18761 B12R1.463 CSCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000174002 [0,1,0,1,0,0|2,0,0]=4 18762 B12R1.463 CSCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000174002 [0,1,0,1,0,0|2,0,0]=4 18763 B12R1.463 CSCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000174002 [0,1,0,1,0,0|2,0,0]=4 18764 B12R1.463 CSCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000174002 [0,1,0,1,0,0|2,0,0]=4 18765 B12R1.463 CSCCC(=O)NNC1CCC1 22a_100000736358_100000174002 [0,1,0,1,0,0|2,0,0]=4 18766 B12R1.463 N#CCCC(=O)NCC1CCC1 11a_100000738700_100011934036 [0,1,0,1,0,0|1,0,1]=4 18767 B12R1.463 N#CCCC(=O)NCC1CCC1 1626a_100000738700_100011934036 [0,1,0,1,0,0|1,0,1]=4 18768 B12R1.463 N#CCCC(=O)NCC1CCC1 240690a_100000738700_100011934036 [0,1,0,1,0,0|1,0,1]=4 18769 B12R1.463 N#CCCC(=O)NCC1CCC1 527a_100000738700_100011934036 [0,1,0,1,0,0|1,0,1]=4 18770 B12R1.463 O=C(NCCF)NCC1CCC1 2708a_100000738700_100000724931 [0,1,0,1,0,0|2,0,0]=4 18771 B12R1.463 O=C(NCCF)NCC1CCC1 273464a_100000724931_100000738700 [0,1,0,1,0,0|2,0,0]=4 18772 B12R1.463 O=C(NCCF)NCC1CCC1 273464a_100000738700_100000724931 [0,1,0,1,0,0|2,0,0]=4 18773 B12R1.463 O=C(NCCF)NCC1CCC1 512a_100000738700_100000724931 [0,1,0,1,0,0|2,0,0]=4 18774 B12R1.463 O=C(NCCO)NCC1CCC1 2708a_100000738700_100000210304 [0,1,0,1,0,0|2,0,0]=4 18775 B12R1.463 O=C(NCCO)NCC1CCC1 273464a_100000210304_100000738700 [0,1,0,1,0,0|2,0,0]=4 18776 B12R1.463 O=C(NCCO)NCC1CCC1 273464a_100000738700_100000210304 [0,1,0,1,0,0|2,0,0]=4 18777 B12R1.463 O=C(NCCO)NCC1CCC1 512a_100000738700_100000210304 [0,1,0,1,0,0|2,0,0]=4 18778 B12R1.464 C#CCCC(=O)NCCC1CC1 1626a_100000764129_100000692101 [0,1,0,1,0,0|1,0,1]=4 18779 B12R1.464 C#CCCC(=O)NCCC1CC1 240690a_100000764129_100000692101 [0,1,0,1,0,0|1,0,1]=4 18780 B12R1.464 C#CCCC(=O)NCCC1CC1 527a_100000764129_100000692101 [0,1,0,1,0,0|1,0,1]=4 18781 B12R1.464 C=CCCC(=O)NCCC1CC1 1626a_100000764129_100000749702 [0,1,0,1,0,0|1,0,1]=4 18782 B12R1.464 C=CCCC(=O)NCCC1CC1 240690a_100000764129_100000749702 [0,1,0,1,0,0|1,0,1]=4 18783 B12R1.464 C=CCCC(=O)NCCC1CC1 527a_100000764129_100000749702 [0,1,0,1,0,0|1,0,1]=4 18784 B12R1.464 CC(CCCCl)OCCC1CC1 34a_200000718107_100000694398 [0,1,0,1,0,0|1,0,1]=4 18785 B12R1.464 CC(CCCCl)OCCC1CC1 7a_200000718107_100000764125 [0,1,0,1,0,0|1,0,1]=4 18786 B12R1.464 CC=CCC(=O)NCCC1CC1 1626a_100000764129_100121576822 [0,1,0,1,0,0|1,0,1]=4 18787 B12R1.464 CC=CCC(=O)NCCC1CC1 240690a_100000764129_100121576822 [0,1,0,1,0,0|1,0,1]=4 18788 B12R1.464 CC=CCC(=O)NCCC1CC1 527a_100000764129_100121576822 [0,1,0,1,0,0|1,0,1]=4 18789 B12R1.464 CCC=CC(=O)NCCC1CC1 1626a_100000764129_100000212282 [0,1,0,1,0,0|1,0,1]=4 18790 B12R1.464 CCC=CC(=O)NCCC1CC1 240690a_100000764129_100000212282 [0,1,0,1,0,0|1,0,1]=4 18791 B12R1.464 CCCCC(=O)CCCC1CO1 1458a_100000210183_100000733510 [0,1,0,1,0,0|2,0,0]=4 18792 B12R1.464 CCCCC(=O)CSCC1CC1 1458a_200011316215_100000210211 [0,1,0,1,0,0|2,0,0]=4 18793 B12R1.464 CCCCC(=O)NCCC1CC1 1626a_100000764129_100000210183 [0,1,0,1,0,0|1,0,0]=3 18794 B12R1.464 CCCCC(=O)NCCC1CC1 240690a_100000764129_100000210183 [0,1,0,1,0,0|1,0,0]=3 18795 B12R1.464 CCCCC(=O)NCCC1CC1 527a_100000764129_100000210183 [0,1,0,1,0,0|1,0,0]=3 18796 B12R1.464 CCCCC(=O)NNCC1CC1 22a_100000736359_100000210183 [0,1,0,1,0,0|2,0,0]=4 18797 B12R1.464 CCCCC(C)OCCC1CC1 34a_100000687866_100000694398 [0,1,0,1,0,0|1,0,1]=4 18798 B12R1.464 CCCCC(C)OCCC1CC1 34a_100000754188_200011215066 [0,1,0,1,0,0|1,0,1]=4 18799 B12R1.464 CCCCC(C)OCCC1CC1 7a_100000687866_100000764125 [0,1,0,1,0,0|1,0,1]=4 18800 B12R1.464 CCCCC(C)OCCC1CC1 7a_100000754188_200011215066 [0,1,0,1,0,0|1,0,1]=4 18801 B12R1.464 CCCNC(=O)CNCC1CC1 2230a_100000174927_100000742324 [0,1,0,1,0,0|2,0,0]=4 18802 B12R1.464 CCCNC(=O)CNCC1CC1 2230a_100000735609_100000183358 [0,1,0,1,0,0|2,0,0]=4 18803 B12R1.464 CCCNC(=O)CNCC1CC1 269862a_100000174927_100000741477 [0,1,0,1,0,0|2,0,0]=4 18804 B12R1.464 CCCNC(=O)CNCC1CC1 34a_100000735609_100000183358 [0,1,0,1,0,0|2,0,0]=4 18805 B12R1.464 CCCNC(=O)COCC1CC1 34a_100000211283_100000183358 [0,1,0,1,0,0|2,0,0]=4 18806 B12R1.464 CCCNC(=O)CSCC1CC1 11a_100020643023_200011316215 [0,1,0,1,0,0|2,0,0]=4 18807 B12R1.464 CCCNC(=O)CSCC1CC1 1626a_100020643023_200011316215 [0,1,0,1,0,0|2,0,0]=4 18808 B12R1.464 CCCNC(=O)CSCC1CC1 240690a_100020643023_200011316215 [0,1,0,1,0,0|2,0,0]=4 18809 B12R1.464 CCCNC(=O)CSCC1CC1 527a_100020643023_200011316215 [0,1,0,1,0,0|2,0,0]=4 18810 B12R1.464 CCCNC(=O)CSCC1CC1 62a_100000183358_100000742324 [0,1,0,1,0,0|2,0,0]=4 18811 B12R1.464 CCCNC(=O)CSCC1CC1 62a_100000756562_100000183358 [0,1,0,1,0,0|2,0,0]=4 18812 B12R1.464 CCCNC(=O)NCCC1CC1 2708a_100000764129_100020643023 [0,1,0,1,0,0|1,0,0]=3 18813 B12R1.464 CCCNC(=O)NCCC1CC1 2708a_100020643023_100000764129 [0,1,0,1,0,0|1,0,0]=3 18814 B12R1.464 CCCNC(=O)NCCC1CC1 273464a_100000764129_100020643023 [0,1,0,1,0,0|1,0,0]=3 18815 B12R1.464 CCCNC(=O)NCCC1CC1 273464a_100020643023_100000764129 [0,1,0,1,0,0|1,0,0]=3 18816 B12R1.464 CCCNC(=O)NCCC1CC1 512a_100000764129_100020643023 [0,1,0,1,0,0|1,0,0]=3 18817 B12R1.464 CCCNC(=O)NCCC1CC1 512a_100020643023_100000764129 [0,1,0,1,0,0|1,0,0]=3 18818 B12R1.464 CCCNC(=O)NNCC1CC1 273464a_100020643023_100000736359 [0,1,0,1,0,0|2,0,0]=4 18819 B12R1.464 CCCNC(=O)NNCC1CC1 512a_100000736359_100020643023 [0,1,0,1,0,0|2,0,0]=4 18820 B12R1.464 CCCNC(=O)NNCC1CC1 512a_100020643023_100000736359 [0,1,0,1,0,0|2,0,0]=4 18821 B12R1.464 CCCOC(=O)CNCC1CC1 2230a_100000735609_200011215008 [0,1,0,1,0,0|2,0,0]=4 18822 B12R1.464 CCCOC(=O)CNCC1CC1 34a_100000735609_200011215008 [0,1,0,1,0,0|2,0,0]=4 18823 B12R1.464 CCCOC(=O)COCC1CC1 34a_100000211283_200011215008 [0,1,0,1,0,0|2,0,0]=4 18824 B12R1.464 CCCOC(=O)CSCC1CC1 62a_100000756562_200011215008 [0,1,0,1,0,0|2,0,0]=4 18825 B12R1.464 CCCOC(=O)CSCC1CC1 62a_200011215008_100000742324 [0,1,0,1,0,0|2,0,0]=4 18826 B12R1.464 CCCOC(=O)OCNC1CC1 34a_100000212008_200000139673 [0,1,0,1,0,0|1,0,0]=3 18827 B12R1.464 CCNNC(=O)NCCC1CC1 273464a_100000764129_100000756455 [0,1,0,1,0,0|2,0,0]=4 18828 B12R1.464 CCNNC(=O)NCCC1CC1 512a_100000756455_100000764129 [0,1,0,1,0,0|2,0,0]=4 18829 B12R1.464 CCNNC(=O)NCCC1CC1 512a_100000764129_100000756455 [0,1,0,1,0,0|2,0,0]=4 18830 B12R1.464 CCOCC(=O)CCCC1CO1 1458a_100000211967_100000733510 [0,1,0,1,0,0|2,0,0]=4 18831 B12R1.464 CCOCC(=O)NCCC1CC1 1626a_100000764129_100000211967 [0,1,0,1,0,0|1,0,0]=3 18832 B12R1.464 CCOCC(=O)NCCC1CC1 240690a_100000764129_100000211967 [0,1,0,1,0,0|1,0,0]=3 18833 B12R1.464 CCOCC(=O)NCCC1CC1 527a_100000764129_100000211967 [0,1,0,1,0,0|1,0,0]=3 18834 B12R1.464 CCOCC(=O)NNCC1CC1 22a_100000736359_100000211967 [0,1,0,1,0,0|2,0,0]=4 18835 B12R1.464 CCOCC(C)OCCC1CC1 34a_100000718985_100000694398 [0,1,0,1,0,0|1,0,1]=4 18836 B12R1.464 CCOCC(C)OCCC1CC1 7a_100000718985_100000764125 [0,1,0,1,0,0|1,0,1]=4 18837 B12R1.464 CCSCC(=O)CCCC1CO1 1458a_100000230394_100000733510 [0,1,0,1,0,0|2,0,0]=4 18838 B12R1.464 CCSCC(=O)NCCC1CC1 1626a_100000764129_100000230394 [0,1,0,1,0,0|1,0,0]=3 18839 B12R1.464 CCSCC(=O)NCCC1CC1 240690a_100000764129_100000230394 [0,1,0,1,0,0|1,0,0]=3 18840 B12R1.464 CCSCC(=O)NCCC1CC1 527a_100000764129_100000230394 [0,1,0,1,0,0|1,0,0]=3 18841 B12R1.464 CCSCC(=O)NNCC1CC1 22a_100000736359_100000230394 [0,1,0,1,0,0|2,0,0]=4 18842 B12R1.464 COCCC(=O)CCCC1CO1 1458a_100000749529_100000733510 [0,1,0,1,0,0|2,0,0]=4 18843 B12R1.464 COCCC(=O)CSCC1CC1 1458a_200011316215_100000233755 [0,1,0,1,0,0|2,0,0]=4 18844 B12R1.464 COCCC(=O)NCCC1CC1 1626a_100000764129_100000749529 [0,1,0,1,0,0|1,0,0]=3 18845 B12R1.464 COCCC(=O)NCCC1CC1 240690a_100000764129_100000749529 [0,1,0,1,0,0|1,0,0]=3 18846 B12R1.464 COCCC(=O)NCCC1CC1 527a_100000764129_100000749529 [0,1,0,1,0,0|1,0,0]=3 18847 B12R1.464 COCCC(=O)NNCC1CC1 22a_100000736359_100000749529 [0,1,0,1,0,0|2,0,0]=4 18848 B12R1.464 CSCCC(=O)CCCC1CO1 1458a_100000174002_100000733510 [0,1,0,1,0,0|2,0,0]=4 18849 B12R1.464 CSCCC(=O)CSCC1CC1 1458a_200011316215_100000751147 [0,1,0,1,0,0|2,0,0]=4 18850 B12R1.464 CSCCC(=O)NCCC1CC1 1626a_100000764129_100000174002 [0,1,0,1,0,0|1,0,0]=3 18851 B12R1.464 CSCCC(=O)NCCC1CC1 240690a_100000764129_100000174002 [0,1,0,1,0,0|1,0,0]=3 18852 B12R1.464 CSCCC(=O)NCCC1CC1 527a_100000764129_100000174002 [0,1,0,1,0,0|1,0,0]=3 18853 B12R1.464 CSCCC(=O)NNCC1CC1 22a_100000736359_100000174002 [0,1,0,1,0,0|2,0,0]=4 18854 B12R1.464 N#CCCC(=O)NCCC1CC1 1626a_100000764129_100011934036 [0,1,0,1,0,0|1,0,1]=4 18855 B12R1.464 N#CCCC(=O)NCCC1CC1 240690a_100000764129_100011934036 [0,1,0,1,0,0|1,0,1]=4 18856 B12R1.464 N#CCCC(=O)NCCC1CC1 527a_100000764129_100011934036 [0,1,0,1,0,0|1,0,1]=4 18857 B12R1.464 O=C(CCCF)CSCC1CC1 1458a_200011316215_100011934791 [0,1,0,1,0,0|2,0,0]=4 18858 B12R1.464 O=C(CCCO)CSCC1CC1 1458a_200011316215_100011215043 [0,1,0,1,0,0|2,0,0]=4 18859 B12R1.464 O=C(NCCF)NCCC1CC1 2708a_100000764129_100000724931 [0,1,0,1,0,0|2,0,0]=4 18860 B12R1.464 O=C(NCCF)NCCC1CC1 273464a_100000724931_100000764129 [0,1,0,1,0,0|2,0,0]=4 18861 B12R1.464 O=C(NCCF)NCCC1CC1 273464a_100000764129_100000724931 [0,1,0,1,0,0|2,0,0]=4 18862 B12R1.464 O=C(NCCF)NCCC1CC1 512a_100000764129_100000724931 [0,1,0,1,0,0|2,0,0]=4 18863 B12R1.464 O=C(NCCO)NCCC1CC1 2708a_100000764129_100000210304 [0,1,0,1,0,0|2,0,0]=4 18864 B12R1.464 O=C(NCCO)NCCC1CC1 273464a_100000210304_100000764129 [0,1,0,1,0,0|2,0,0]=4 18865 B12R1.464 O=C(NCCO)NCCC1CC1 273464a_100000764129_100000210304 [0,1,0,1,0,0|2,0,0]=4 18866 B12R1.464 O=C(NCCO)NCCC1CC1 512a_100000764129_100000210304 [0,1,0,1,0,0|2,0,0]=4 18867 B12R1.549 CCCCC(C)OCC1CC1C 34a_100000744939_200011215066 [0,1,0,1,0,0|1,0,1]=4 18868 B12R1.549 CCCCC(C)OCC1CC1C 7a_100000744939_200011215066 [0,1,0,1,0,0|1,0,1]=4 18869 B12R1.561 CCCCC=CC(=O)C1CCC1 1458a_100016266645_100000749161 [0,1,0,1,0,0|1,0,1]=4 18870 B12R1.561 CCCCC=CC(=O)C1COC1 1458a_100016266645_100000687716 [0,1,0,1,0,0|1,0,1]=4 18871 B12R1.561 CCCCC=CC(=O)N1CCC1 11a_100000754969_100016266645 [0,1,0,1,0,0|1,0,1]=4 18872 B12R1.561 CCCCC=CC(=O)N1CCC1 240690a_100000754969_100016266645 [0,1,0,1,0,0|1,0,1]=4 18873 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100000209988_100000210757 [0,1,0,1,0,0|1,0,0]=3 18874 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100102632555_100000749161 [0,1,0,1,0,0|1,0,0]=3 18875 B12R1.561 CCCCCCC(=O)C1CCO1 1458a_100000089072_100000210757 [0,1,0,1,0,0|1,0,0]=3 18876 B12R1.561 CCCCCCC(=O)C1COC1 1458a_100000758290_100000210757 [0,1,0,1,0,0|1,0,0]=3 18877 B12R1.561 CCCCCCC(=O)C1COC1 1458a_100102632555_100000687716 [0,1,0,1,0,0|1,0,0]=3 18878 B12R1.561 CCCCCCC(=O)N1CCC1 11a_100000754969_100102632555 [0,1,0,1,0,0|1,0,0]=3 18879 B12R1.561 CCCCCCC(=O)N1CCC1 240690a_100000754969_100102632555 [0,1,0,1,0,0|1,0,0]=3 18880 B12R1.561 CCCCCCC(=O)N1CCC1 527a_100000754969_100102632555 [0,1,0,1,0,0|1,0,0]=3 18881 B12R1.561 CCCCCNC(=O)C1CCC1 11a_100000209983_100000209988 [0,1,0,1,0,0|1,0,0]=3 18882 B12R1.561 CCCCCNC(=O)C1CCC1 1626a_100000209983_100000209988 [0,1,0,1,0,0|1,0,0]=3 18883 B12R1.561 CCCCCNC(=O)C1CCC1 240690a_100000209983_100000209988 [0,1,0,1,0,0|1,0,0]=3 18884 B12R1.561 CCCCCNC(=O)C1CCC1 527a_100000209983_100000209988 [0,1,0,1,0,0|1,0,0]=3 18885 B12R1.561 CCCCCNC(=O)C1CCO1 11a_100000209983_100000089072 [0,1,0,1,0,0|1,0,0]=3 18886 B12R1.561 CCCCCNC(=O)C1CCO1 1626a_100000209983_100000089072 [0,1,0,1,0,0|1,0,0]=3 18887 B12R1.561 CCCCCNC(=O)C1CCO1 240690a_100000209983_100000089072 [0,1,0,1,0,0|1,0,0]=3 18888 B12R1.561 CCCCCNC(=O)C1CCO1 527a_100000209983_100000089072 [0,1,0,1,0,0|1,0,0]=3 18889 B12R1.561 CCCCCNC(=O)C1COC1 11a_100000209983_100000758290 [0,1,0,1,0,0|1,0,0]=3 18890 B12R1.561 CCCCCNC(=O)C1COC1 1626a_100000209983_100000758290 [0,1,0,1,0,0|1,0,0]=3 18891 B12R1.561 CCCCCNC(=O)C1COC1 240690a_100000209983_100000758290 [0,1,0,1,0,0|1,0,0]=3 18892 B12R1.561 CCCCCNC(=O)C1COC1 527a_100000209983_100000758290 [0,1,0,1,0,0|1,0,0]=3 18893 B12R1.561 CCCCCNC(=O)N1CCC1 2708a_100000209983_100000754969 [0,1,0,1,0,0|1,0,0]=3 18894 B12R1.561 CCCCCNC(=O)N1CCC1 273464a_100000209983_100000754969 [0,1,0,1,0,0|1,0,0]=3 18895 B12R1.561 CCCCCOC(C)C1CCC1 34a_100000766398_100000718602 [0,1,0,1,0,0|1,0,1]=4 18896 B12R1.561 CCCCCOC(C)C1CCC1 7a_100000766398_100000210326 [0,1,0,1,0,0|1,0,1]=4 18897 B12R1.561 CCCCNCC(=O)C1CCC1 2230a_100000102301_100000686122 [0,1,0,1,0,0|2,0,0]=4 18898 B12R1.561 CCCCNCC(=O)C1CCC1 7a_106832991798_100000686122 [0,1,0,1,0,0|2,0,0]=4 18899 B12R1.561 CCCCNCC(=O)N1CCC1 2230a_100000102301_100000185095 [0,1,0,1,0,0|2,0,0]=4 18900 B12R1.561 CCCCNCC(=O)N1CCC1 7a_106832991798_100000185095 [0,1,0,1,0,0|2,0,0]=4 18901 B12R1.561 CCCCNNC(=O)C1CCC1 22a_100025702795_100000209988 [0,1,0,1,0,0|2,0,0]=4 18902 B12R1.561 CCCCNNC(=O)C1CCO1 22a_100025702795_100000089072 [0,1,0,1,0,0|2,0,0]=4 18903 B12R1.561 CCCCNNC(=O)C1COC1 22a_100025702795_100000758290 [0,1,0,1,0,0|2,0,0]=4 18904 B12R1.561 CCCCOCC(=O)C1CCC1 1458a_100000209988_100011995733 [0,1,0,1,0,0|2,0,0]=4 18905 B12R1.561 CCCCOCC(=O)C1CCC1 1458a_100000757543_100000749161 [0,1,0,1,0,0|2,0,0]=4 18906 B12R1.561 CCCCOCC(=O)C1CCC1 34a_100000210227_100000686122 [0,1,0,1,0,0|2,0,0]=4 18907 B12R1.561 CCCCOCC(=O)C1CCC1 7a_100000210227_100000686122 [0,1,0,1,0,0|2,0,0]=4 18908 B12R1.561 CCCCOCC(=O)C1CCO1 1458a_100000089072_100011995733 [0,1,0,1,0,0|2,0,0]=4 18909 B12R1.561 CCCCOCC(=O)C1COC1 1458a_100000757543_100000687716 [0,1,0,1,0,0|2,0,0]=4 18910 B12R1.561 CCCCOCC(=O)C1COC1 1458a_100000758290_100011995733 [0,1,0,1,0,0|2,0,0]=4 18911 B12R1.561 CCCCOCC(=O)N1CCC1 11a_100000754969_100000757543 [0,1,0,1,0,0|2,0,0]=4 18912 B12R1.561 CCCCOCC(=O)N1CCC1 240690a_100000754969_100000757543 [0,1,0,1,0,0|2,0,0]=4 18913 B12R1.561 CCCCOCC(=O)N1CCC1 34a_100000210227_100000185095 [0,1,0,1,0,0|2,0,0]=4 18914 B12R1.561 CCCCOCC(=O)N1CCC1 527a_100000754969_100000757543 [0,1,0,1,0,0|2,0,0]=4 18915 B12R1.561 CCCCOCC(=O)N1CCC1 7a_100000210227_100000185095 [0,1,0,1,0,0|2,0,0]=4 18916 B12R1.561 CCCCSCC(=O)C1CCC1 1458a_100000191162_100000749161 [0,1,0,1,0,0|2,0,0]=4 18917 B12R1.561 CCCCSCC(=O)C1CCC1 62a_100000210211_100000686122 [0,1,0,1,0,0|2,0,0]=4 18918 B12R1.561 CCCCSCC(=O)C1CCC1 62a_100000686122_100000210210 [0,1,0,1,0,0|2,0,0]=4 18919 B12R1.561 CCCCSCC(=O)C1COC1 1458a_100000191162_100000687716 [0,1,0,1,0,0|2,0,0]=4 18920 B12R1.561 CCCCSCC(=O)N1CCC1 11a_100000754969_100000191162 [0,1,0,1,0,0|2,0,0]=4 18921 B12R1.561 CCCCSCC(=O)N1CCC1 240690a_100000754969_100000191162 [0,1,0,1,0,0|2,0,0]=4 18922 B12R1.561 CCCCSCC(=O)N1CCC1 527a_100000754969_100000191162 [0,1,0,1,0,0|2,0,0]=4 18923 B12R1.561 CCCCSCC(=O)N1CCC1 62a_100000185095_100000210210 [0,1,0,1,0,0|2,0,0]=4 18924 B12R1.561 CCCCSCC(=O)N1CCC1 62a_100000210211_100000185095 [0,1,0,1,0,0|2,0,0]=4 18925 B12R1.561 CCCOCCC(=O)C1CCC1 1458a_100000209988_100011215938 [0,1,0,1,0,0|2,0,0]=4 18926 B12R1.561 CCCOCCC(=O)C1CCO1 1458a_100000089072_100011215938 [0,1,0,1,0,0|2,0,0]=4 18927 B12R1.561 CCCOCCC(=O)C1COC1 1458a_100000758290_100011215938 [0,1,0,1,0,0|2,0,0]=4 18928 B12R1.561 CCNCCNC(=O)C1CCC1 2230a_100000723847_100000210202 [0,1,0,1,0,0|2,0,0]=4 18929 B12R1.561 CCNCCNC(=O)C1CCC1 34a_100000723847_100000210202 [0,1,0,1,0,0|2,0,0]=4 18930 B12R1.561 CCOCCCC(=O)C1CCC1 1458a_100000209988_100012232248 [0,1,0,1,0,0|2,0,0]=4 18931 B12R1.561 CCOCCCC(=O)C1CCO1 1458a_100000089072_100012232248 [0,1,0,1,0,0|2,0,0]=4 18932 B12R1.561 CCOCCCC(=O)C1COC1 1458a_100000758290_100012232248 [0,1,0,1,0,0|2,0,0]=4 18933 B12R1.561 CCOCCNC(=O)C1CCC1 11a_100011200944_100000209988 [0,1,0,1,0,0|2,0,0]=4 18934 B12R1.561 CCOCCNC(=O)C1CCC1 1626a_102516460346_100000209988 [0,1,0,1,0,0|2,0,0]=4 18935 B12R1.561 CCOCCNC(=O)C1CCC1 240690a_100011200944_100000209988 [0,1,0,1,0,0|2,0,0]=4 18936 B12R1.561 CCOCCNC(=O)C1CCC1 527a_100011200944_100000209988 [0,1,0,1,0,0|2,0,0]=4 18937 B12R1.561 CCOCCNC(=O)C1CCO1 11a_100011200944_100000089072 [0,1,0,1,0,0|2,0,0]=4 18938 B12R1.561 CCOCCNC(=O)C1CCO1 1626a_102516460346_100000089072 [0,1,0,1,0,0|2,0,0]=4 18939 B12R1.561 CCOCCNC(=O)C1CCO1 240690a_100011200944_100000089072 [0,1,0,1,0,0|2,0,0]=4 18940 B12R1.561 CCOCCNC(=O)C1CCO1 527a_100011200944_100000089072 [0,1,0,1,0,0|2,0,0]=4 18941 B12R1.561 CCOCCNC(=O)C1COC1 11a_100011200944_100000758290 [0,1,0,1,0,0|2,0,0]=4 18942 B12R1.561 CCOCCNC(=O)C1COC1 1626a_102516460346_100000758290 [0,1,0,1,0,0|2,0,0]=4 18943 B12R1.561 CCOCCNC(=O)C1COC1 240690a_100011200944_100000758290 [0,1,0,1,0,0|2,0,0]=4 18944 B12R1.561 CCOCCNC(=O)C1COC1 527a_100011200944_100000758290 [0,1,0,1,0,0|2,0,0]=4 18945 B12R1.561 CCOCCNC(=O)N1CCC1 2708a_100011200944_100000754969 [0,1,0,1,0,0|2,0,0]=4 18946 B12R1.561 CCOCCNC(=O)N1CCC1 273464a_102516460346_100000754969 [0,1,0,1,0,0|2,0,0]=4 18947 B12R1.561 CCSCCNC(=O)C1CCC1 11a_100000106463_100000209988 [0,1,0,1,0,0|2,0,0]=4 18948 B12R1.561 CCSCCNC(=O)C1CCC1 1626a_100000106463_100000209988 [0,1,0,1,0,0|2,0,0]=4 18949 B12R1.561 CCSCCNC(=O)C1CCC1 240690a_100000106463_100000209988 [0,1,0,1,0,0|2,0,0]=4 18950 B12R1.561 CCSCCNC(=O)C1CCC1 527a_100000106463_100000209988 [0,1,0,1,0,0|2,0,0]=4 18951 B12R1.561 CCSCCNC(=O)C1CCO1 11a_100000106463_100000089072 [0,1,0,1,0,0|2,0,0]=4 18952 B12R1.561 CCSCCNC(=O)C1CCO1 1626a_100000106463_100000089072 [0,1,0,1,0,0|2,0,0]=4 18953 B12R1.561 CCSCCNC(=O)C1CCO1 240690a_100000106463_100000089072 [0,1,0,1,0,0|2,0,0]=4 18954 B12R1.561 CCSCCNC(=O)C1CCO1 527a_100000106463_100000089072 [0,1,0,1,0,0|2,0,0]=4 18955 B12R1.561 CCSCCNC(=O)C1COC1 11a_100000106463_100000758290 [0,1,0,1,0,0|2,0,0]=4 18956 B12R1.561 CCSCCNC(=O)C1COC1 1626a_100000106463_100000758290 [0,1,0,1,0,0|2,0,0]=4 18957 B12R1.561 CCSCCNC(=O)C1COC1 240690a_100000106463_100000758290 [0,1,0,1,0,0|2,0,0]=4 18958 B12R1.561 CCSCCNC(=O)C1COC1 527a_100000106463_100000758290 [0,1,0,1,0,0|2,0,0]=4 18959 B12R1.561 CCSCCNC(=O)N1CCC1 2708a_100000106463_100000754969 [0,1,0,1,0,0|2,0,0]=4 18960 B12R1.561 CCSCCNC(=O)N1CCC1 273464a_100000106463_100000754969 [0,1,0,1,0,0|2,0,0]=4 18961 B12R1.561 COCCCCC(=O)C1CCC1 1458a_100000209988_100000755781 [0,1,0,1,0,0|2,0,0]=4 18962 B12R1.561 COCCCCC(=O)C1CCO1 1458a_100000089072_100000755781 [0,1,0,1,0,0|2,0,0]=4 18963 B12R1.561 COCCCCC(=O)C1COC1 1458a_100000758290_100000755781 [0,1,0,1,0,0|2,0,0]=4 18964 B12R1.561 COCCCNC(=O)C1CCC1 1626a_100150723488_100000209988 [0,1,0,1,0,0|2,0,0]=4 18965 B12R1.561 COCCCNC(=O)C1CCC1 240690a_100150723488_100000209988 [0,1,0,1,0,0|2,0,0]=4 18966 B12R1.561 COCCCNC(=O)C1CCC1 527a_100150723488_100000209988 [0,1,0,1,0,0|2,0,0]=4 18967 B12R1.561 COCCCNC(=O)C1CCO1 1626a_100150723488_100000089072 [0,1,0,1,0,0|2,0,0]=4 18968 B12R1.561 COCCCNC(=O)C1CCO1 240690a_100150723488_100000089072 [0,1,0,1,0,0|2,0,0]=4 18969 B12R1.561 COCCCNC(=O)C1CCO1 527a_100150723488_100000089072 [0,1,0,1,0,0|2,0,0]=4 18970 B12R1.561 COCCCNC(=O)C1COC1 1626a_100150723488_100000758290 [0,1,0,1,0,0|2,0,0]=4 18971 B12R1.561 COCCCNC(=O)C1COC1 240690a_100150723488_100000758290 [0,1,0,1,0,0|2,0,0]=4 18972 B12R1.561 COCCCNC(=O)C1COC1 527a_100150723488_100000758290 [0,1,0,1,0,0|2,0,0]=4 18973 B12R1.561 COCCCNC(=O)N1CCC1 2708a_100150723488_100000754969 [0,1,0,1,0,0|2,0,0]=4 18974 B12R1.561 COCCCNC(=O)N1CCC1 273464a_100150723488_100000754969 [0,1,0,1,0,0|2,0,0]=4 18975 B12R1.561 CSCCCNC(=O)C1CCC1 11a_100000749238_100000209988 [0,1,0,1,0,0|2,0,0]=4 18976 B12R1.561 CSCCCNC(=O)C1CCC1 1626a_100000749238_100000209988 [0,1,0,1,0,0|2,0,0]=4 18977 B12R1.561 CSCCCNC(=O)C1CCC1 240690a_100000749238_100000209988 [0,1,0,1,0,0|2,0,0]=4 18978 B12R1.561 CSCCCNC(=O)C1CCC1 527a_100000749238_100000209988 [0,1,0,1,0,0|2,0,0]=4 18979 B12R1.561 CSCCCNC(=O)C1CCO1 11a_100000749238_100000089072 [0,1,0,1,0,0|2,0,0]=4 18980 B12R1.561 CSCCCNC(=O)C1CCO1 1626a_100000749238_100000089072 [0,1,0,1,0,0|2,0,0]=4 18981 B12R1.561 CSCCCNC(=O)C1CCO1 240690a_100000749238_100000089072 [0,1,0,1,0,0|2,0,0]=4 18982 B12R1.561 CSCCCNC(=O)C1CCO1 527a_100000749238_100000089072 [0,1,0,1,0,0|2,0,0]=4 18983 B12R1.561 CSCCCNC(=O)C1COC1 11a_100000749238_100000758290 [0,1,0,1,0,0|2,0,0]=4 18984 B12R1.561 CSCCCNC(=O)C1COC1 1626a_100000749238_100000758290 [0,1,0,1,0,0|2,0,0]=4 18985 B12R1.561 CSCCCNC(=O)C1COC1 240690a_100000749238_100000758290 [0,1,0,1,0,0|2,0,0]=4 18986 B12R1.561 CSCCCNC(=O)C1COC1 527a_100000749238_100000758290 [0,1,0,1,0,0|2,0,0]=4 18987 B12R1.561 CSCCCNC(=O)N1CCC1 2708a_100000749238_100000754969 [0,1,0,1,0,0|2,0,0]=4 18988 B12R1.561 CSCCCNC(=O)N1CCC1 273464a_100000749238_100000754969 [0,1,0,1,0,0|2,0,0]=4 18989 B12R1.561 O=C(CCCCCF)C1CCC1 1458a_100000209988_100000729378 [0,1,0,1,0,0|2,0,0]=4 18990 B12R1.561 O=C(CCCCCF)C1CCO1 1458a_100000089072_100000729378 [0,1,0,1,0,0|2,0,0]=4 18991 B12R1.561 O=C(CCCCCF)C1COC1 1458a_100000758290_100000729378 [0,1,0,1,0,0|2,0,0]=4 18992 B12R1.561 O=C(CCCCCO)C1CCC1 1458a_100000209988_100000746330 [0,1,0,1,0,0|2,0,0]=4 18993 B12R1.561 O=C(CCCCCO)C1CCC1 1458a_100102619762_100000749161 [0,1,0,1,0,0|2,0,0]=4 18994 B12R1.561 O=C(CCCCCO)C1CCO1 1458a_100000089072_100000746330 [0,1,0,1,0,0|2,0,0]=4 18995 B12R1.561 O=C(CCCCCO)C1COC1 1458a_100000758290_100000746330 [0,1,0,1,0,0|2,0,0]=4 18996 B12R1.561 O=C(CCCCCO)C1COC1 1458a_100102619762_100000687716 [0,1,0,1,0,0|2,0,0]=4 18997 B12R1.561 O=C(CCCCCO)N1CCC1 240690a_100000754969_100102619762 [0,1,0,1,0,0|2,0,0]=4 18998 B12R1.561 O=C(NCCCCO)C1CCC1 240690a_100000750430_100000209988 [0,1,0,1,0,0|2,0,0]=4 18999 B12R1.561 O=C(NCCCCO)C1CCC1 527a_100000750430_100000209988 [0,1,0,1,0,0|2,0,0]=4 19000 B12R1.561 O=C(NCCCCO)C1CCO1 240690a_100000750430_100000089072 [0,1,0,1,0,0|2,0,0]=4 19001 B12R1.561 O=C(NCCCCO)C1CCO1 527a_100000750430_100000089072 [0,1,0,1,0,0|2,0,0]=4 19002 B12R1.561 O=C(NCCCCO)C1COC1 240690a_100000750430_100000758290 [0,1,0,1,0,0|2,0,0]=4 19003 B12R1.561 O=C(NCCCCO)C1COC1 527a_100000750430_100000758290 [0,1,0,1,0,0|2,0,0]=4 19004 B12R1.561 O=C(NCCCCO)N1CCC1 2708a_100000750430_100000754969 [0,1,0,1,0,0|2,0,0]=4 19005 B12R1.561 O=C(NCCCCO)N1CCC1 273464a_100000750430_100000754969 [0,1,0,1,0,0|2,0,0]=4 19006 B12R1.925 CCCNC(=O)CN1CCC1C 269982a_100000755817_100000183358 [0,1,0,1,0,0|2,0,0]=4 19007 B12R1.925 CCCNC(=O)CN1CCC1C 34a_100000755817_100000183358 [0,1,0,1,0,0|2,0,0]=4 19008 B12R1.925 CCCOC(=O)CN1CCC1C 269982a_100000755817_200011215008 [0,1,0,1,0,0|2,0,0]=4 19009 B12R1.925 CCCOC(=O)CN1CCC1C 34a_100000755817_200011215008 [0,1,0,1,0,0|2,0,0]=4 19010 B12R1.1112 CCCC1C(=O)NCCN1CC 2230a_200000695202_100000210202 [0,1,0,1,0,0|2,0,0]=4 19011 B12R1.1112 CCCC1C(=O)NCCN1CC 269982a_200000695202_100000204670 [0,1,0,1,0,0|2,0,0]=4 19012 B12R1.1112 CCCC1C(=O)NCCN1CC 34a_200000695202_100000210202 [0,1,0,1,0,0|2,0,0]=4 19013 B12R1.1112 CCN1CCNC(=O)C1CCO 2230a_100000044719_100000210202 [0,1,0,1,0,0|2,0,0]=4 19014 B12R1.1112 CCN1CCNC(=O)C1CCO 34a_100000044719_100000210202 [0,1,0,1,0,0|2,0,0]=4 19015 B12R1.1452 CCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210303 [0,1,0,1,0,0|2,0,0]=4 19016 B12R1.1452 CCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210303 [0,1,0,1,0,0|2,0,0]=4 19017 B12R1.1452 CCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210303 [0,1,0,1,0,0|2,0,0]=4 19018 B12R1.1758 CCCCCOC1(CCCC1)C 34a_100000751722_100000718602 [0,1,0,1,0,0|1,0,1]=4 19019 B12R1.1758 CCCCCOC1(CCCC1)C 7a_100000751722_100000210326 [0,1,0,1,0,0|1,0,1]=4 19020 B12R1.34 CC(S[13CH3])C(=O)N1CCCCC1 62a_100000183932_200025704644 [0,1,0,1,0,0|2,0,0]=4 19021 B12R1.34 CC(S[13CH3])C(=O)N1CCCCC1 62a_200025704644_100000183932 [0,1,0,1,0,0|2,0,0]=4 19022 B12R1.34 CCC(=O)C(=O)N1CCCCC1 1458a_200011297168_100000210202 [0,1,0,1,0,0|1,0,1]=4 19023 B12R1.34 CCC(C)C(=O)C1=CCCCC1 1458a_100000765259_100000758301 [0,1,0,1,0,0|1,0,1]=4 19024 B12R1.34 CCC(C)C(=O)C1CCCCC1 1458a_100000210647_100000758301 [0,1,0,1,0,0|1,0,0]=3 19025 B12R1.34 CCC(C)C(=O)C1CCCCC1 1458a_100011192722_100000210327 [0,1,0,1,0,0|1,0,0]=3 19026 B12R1.34 CCC(C)C(=O)C1CCCCO1 1458a_100000748299_100000758301 [0,1,0,1,0,0|2,0,0]=4 19027 B12R1.34 CCC(C)C(=O)C1CCCOC1 1458a_100000741522_100000758301 [0,1,0,1,0,0|2,0,0]=4 19028 B12R1.34 CCC(C)C(=O)C1CCCOC1 1458a_100011192722_100000693364 [0,1,0,1,0,0|2,0,0]=4 19029 B12R1.34 CCC(C)C(=O)C1CCOCC1 1458a_100000195482_100000758301 [0,1,0,1,0,0|2,0,0]=4 19030 B12R1.34 CCC(C)C(=O)C1CCOCC1 1458a_100011192722_100011324220 [0,1,0,1,0,0|2,0,0]=4 19031 B12R1.34 CCC(C)C(=O)C1CCSCC1 1458a_100000755232_100000758301 [0,1,0,1,0,0|2,0,0]=4 19032 B12R1.34 CCC(C)C(=O)N1CCCOC1 11a_100000131196_100011192722 [0,1,0,1,0,0|2,0,0]=4 19033 B12R1.34 CCC(C)C(=O)N1CCCOC1 240690a_100000131196_100011192722 [0,1,0,1,0,0|2,0,0]=4 19034 B12R1.34 CCC(C)C(=O)N1CCOCC1 11a_100015191051_100011192722 [0,1,0,1,0,0|2,0,0]=4 19035 B12R1.34 CCC(C)C(=O)N1CCOCC1 1626a_100015191051_100011192722 [0,1,0,1,0,0|2,0,0]=4 19036 B12R1.34 CCC(C)C(=O)N1CCOCC1 240690a_100015191051_100011192722 [0,1,0,1,0,0|2,0,0]=4 19037 B12R1.34 CCC(C)C(=O)N1CCOCC1 527a_100015191051_100011192722 [0,1,0,1,0,0|2,0,0]=4 19038 B12R1.34 CCC(C)C(=O)N1CCSCC1 11a_100000737611_100011192722 [0,1,0,1,0,0|2,0,0]=4 19039 B12R1.34 CCC(C)C(=O)N1CCSCC1 240690a_100000737611_100011192722 [0,1,0,1,0,0|2,0,0]=4 19040 B12R1.34 CCC(C)C(=O)N1CCSCC1 527a_100000737611_100011192722 [0,1,0,1,0,0|2,0,0]=4 19041 B12R1.34 CCC(O)C(=O)C1CCCCC1 1458a_100011196387_100000210327 [0,1,0,1,0,0|1,0,0]=3 19042 B12R1.34 CCC(O)C(=O)C1CCCOC1 1458a_100011196387_100000693364 [0,1,0,1,0,0|2,0,0]=4 19043 B12R1.34 CCC(O)C(=O)C1CCOCC1 1458a_100011196387_100011324220 [0,1,0,1,0,0|2,0,0]=4 19044 B12R1.34 CCC(O)C(=O)N1CCCOC1 240690a_100000131196_100011196387 [0,1,0,1,0,0|2,0,0]=4 19045 B12R1.34 CCC(O)C(=O)N1CCOCC1 240690a_100015191051_100011196387 [0,1,0,1,0,0|2,0,0]=4 19046 B12R1.34 CCC(O)C(=O)N1CCSCC1 240690a_100000737611_100011196387 [0,1,0,1,0,0|2,0,0]=4 19047 B12R1.34 CCN(C)C(=O)C1CCCCC1 11a_100000225621_100000210647 [0,1,0,1,0,0|2,0,0]=4 19048 B12R1.34 CCN(C)C(=O)C1CCCCC1 1626a_100000225621_100000210647 [0,1,0,1,0,0|2,0,0]=4 19049 B12R1.34 CCN(C)C(=O)C1CCCCC1 240690a_100000225621_100000210647 [0,1,0,1,0,0|2,0,0]=4 19050 B12R1.34 CCN(C)C(=O)C1CCCCC1 527a_100000225621_100000210647 [0,1,0,1,0,0|2,0,0]=4 19051 B12R1.34 CNC(C)C(=O)N1CCCCC1 2230a_106832991635_100000183932 [0,1,0,1,0,0|2,0,0]=4 19052 B12R1.34 CNC(C)C(=O)N1CCCCC1 7a_106832991635_100000183932 [0,1,0,1,0,0|2,0,0]=4 19053 B12R1.34 CN[C@H](C)C(=O)N1CCCCC1 2230a_100138413195_200000210301 [0,1,0,1,0,0|2,0,0]=4 19054 B12R1.34 CN[C@H](C)C(=O)N1CCCCC1 34a_100138413195_200000210301 [0,1,0,1,0,0|2,0,0]=4 19055 B12R1.34 COC(C)C(=O)C1CCCCC1 1458a_100000743197_100000210327 [0,1,0,1,0,0|2,0,0]=4 19056 B12R1.34 CSC(C)C(=O)C1CCCCC1 1458a_100000149566_100000210327 [0,1,0,1,0,0|2,0,0]=4 19057 B12R1.34 CSC(C)C(=O)N1CCCCC1 62a_100000183932_200000210301 [0,1,0,1,0,0|2,0,0]=4 19058 B12R1.34 CSC(C)C(=O)N1CCCCC1 62a_200000210301_100000183932 [0,1,0,1,0,0|2,0,0]=4 19059 B12R1.34 C[C@@H](N[13CH3])C(=O)N1CCCCC1 2230a_100138413195_200025704644 [0,1,0,1,0,0|2,0,0]=4 19060 B12R1.34 C[C@@H](N[13CH3])C(=O)N1CCCCC1 34a_100138413195_200025704644 [0,1,0,1,0,0|2,0,0]=4 19061 B12R1.34 O=C(C(O)CO)C1CCCCC1 1458a_100011215603_100000210327 [0,1,0,1,0,0|2,0,0]=4 19062 B12R1.108 CC(N[13CH3])C(=O)NC1CCCC1 2230a_100000743876_200025704644 [0,1,0,1,0,0|2,0,0]=4 19063 B12R1.108 CC(N[13CH3])C(=O)NC1CCCC1 34a_100000743876_200025704644 [0,1,0,1,0,0|2,0,0]=4 19064 B12R1.108 CC(S[13CH3])C(=O)NC1CCCC1 62a_100000184002_200025704644 [0,1,0,1,0,0|2,0,0]=4 19065 B12R1.108 CC(S[13CH3])C(=O)NC1CCCC1 62a_200025704644_100000184002 [0,1,0,1,0,0|2,0,0]=4 19066 B12R1.108 CCC(C)C(=O)C=C1CCCC1 1458a_100000743260_100000758301 [0,1,0,1,0,0|1,0,1]=4 19067 B12R1.108 CCC(C)C(=O)CC1CCCC1 1458a_100000210891_100000758301 [0,1,0,1,0,0|1,0,0]=3 19068 B12R1.108 CCC(C)C(=O)CC1CCCC1 1458a_100011192722_100000740388 [0,1,0,1,0,0|1,0,0]=3 19069 B12R1.108 CCC(C)C(=O)CC1CCCO1 1458a_100011192722_100000203698 [0,1,0,1,0,0|2,0,0]=4 19070 B12R1.108 CCC(C)C(=O)CC1CCOC1 1458a_100011192722_100000702531 [0,1,0,1,0,0|2,0,0]=4 19071 B12R1.108 CCC(C)C(=O)CC1CCOC1 1458a_100011218419_100000758301 [0,1,0,1,0,0|2,0,0]=4 19072 B12R1.108 CCC(C)C(=O)CN1CCCC1 1458a_100000740243_100000758301 [0,1,0,1,0,0|2,0,0]=4 19073 B12R1.108 CCC(C)C(=O)NC1CCCC1 11a_100000211070_100011192722 [0,1,0,1,0,0|1,0,0]=3 19074 B12R1.108 CCC(C)C(=O)NC1CCCC1 1626a_100000211070_100011192722 [0,1,0,1,0,0|1,0,0]=3 19075 B12R1.108 CCC(C)C(=O)NC1CCCC1 240690a_100000211070_100011192722 [0,1,0,1,0,0|1,0,0]=3 19076 B12R1.108 CCC(C)C(=O)NC1CCCC1 527a_100000211070_100011192722 [0,1,0,1,0,0|1,0,0]=3 19077 B12R1.108 CCC(C)C(=O)N[C@@H]1CCOC1 240690a_200015188469_100011192722 [0,1,0,1,0,0|2,0,0]=4 19078 B12R1.108 CCC(C)C(=O)N[C@@H]1CCOC1 527a_200015188469_100011192722 [0,1,0,1,0,0|2,0,0]=4 19079 B12R1.108 CCC(C)C(=O)N[C@H]1CCOC1 11a_100015188467_100011192722 [0,1,0,1,0,0|2,0,0]=4 19080 B12R1.108 CCC(C)C(=O)N[C@H]1CCOC1 1626a_100015188467_100011192722 [0,1,0,1,0,0|2,0,0]=4 19081 B12R1.108 CCC(C)C(=O)N[C@H]1CCOC1 240690a_100015188467_100011192722 [0,1,0,1,0,0|2,0,0]=4 19082 B12R1.108 CCC(C)C(=O)N[C@H]1CCOC1 527a_100015188467_100011192722 [0,1,0,1,0,0|2,0,0]=4 19083 B12R1.108 CCC(C)C(C)OC1CCCC1 7a_100011215189_100000179811 [0,1,0,1,0,0|1,0,1]=4 19084 B12R1.108 CCC(O)C(=O)CC1CCCC1 1458a_100011196387_100000740388 [0,1,0,1,0,0|1,0,0]=3 19085 B12R1.108 CCC(O)C(=O)CC1CCCO1 1458a_100011196387_100000203698 [0,1,0,1,0,0|2,0,0]=4 19086 B12R1.108 CCC(O)C(=O)CC1CCOC1 1458a_100011196387_100000702531 [0,1,0,1,0,0|2,0,0]=4 19087 B12R1.108 CCC(O)C(=O)NC1CCCC1 240690a_100000211070_100011196387 [0,1,0,1,0,0|1,0,0]=3 19088 B12R1.108 CCC(O)C(=O)N[C@@H]1CCOC1 240690a_200015188469_100011196387 [0,1,0,1,0,0|2,0,0]=4 19089 B12R1.108 CCC(O)C(=O)N[C@H]1CCOC1 240690a_100015188467_100011196387 [0,1,0,1,0,0|2,0,0]=4 19090 B12R1.108 CCN(C)C(=O)CC1CCCC1 11a_100000225621_100000210891 [0,1,0,1,0,0|2,0,0]=4 19091 B12R1.108 CCN(C)C(=O)CC1CCCC1 1626a_100000225621_100000210891 [0,1,0,1,0,0|2,0,0]=4 19092 B12R1.108 CCN(C)C(=O)CC1CCCC1 240690a_100000225621_100000210891 [0,1,0,1,0,0|2,0,0]=4 19093 B12R1.108 CCN(C)C(=O)CC1CCCC1 527a_100000225621_100000210891 [0,1,0,1,0,0|2,0,0]=4 19094 B12R1.108 CCN(C)C(=O)NC1CCCC1 2708a_100000211070_100000225621 [0,1,0,1,0,0|2,0,0]=4 19095 B12R1.108 CCN(C)C(=O)NC1CCCC1 273464a_100000211070_100000225621 [0,1,0,1,0,0|2,0,0]=4 19096 B12R1.108 CNC(C)C(=O)NC1CCCC1 2230a_100000743876_200000210301 [0,1,0,1,0,0|2,0,0]=4 19097 B12R1.108 CNC(C)C(=O)NC1CCCC1 2230a_106832991635_100000184002 [0,1,0,1,0,0|2,0,0]=4 19098 B12R1.108 CNC(C)C(=O)NC1CCCC1 34a_100000743876_200000210301 [0,1,0,1,0,0|2,0,0]=4 19099 B12R1.108 CNC(C)C(=O)NC1CCCC1 7a_106832991635_100000184002 [0,1,0,1,0,0|2,0,0]=4 19100 B12R1.108 COC(C)C(=O)CC1CCCC1 1458a_100000743197_100000740388 [0,1,0,1,0,0|2,0,0]=4 19101 B12R1.108 COC(C)C(=O)NC1CCCC1 11a_100000211070_100000743197 [0,1,0,1,0,0|2,0,0]=4 19102 B12R1.108 COC(C)C(=O)NC1CCCC1 1626a_100000211070_100000743197 [0,1,0,1,0,0|2,0,0]=4 19103 B12R1.108 COC(C)C(=O)NC1CCCC1 240690a_100000211070_100000743197 [0,1,0,1,0,0|2,0,0]=4 19104 B12R1.108 COC(C)C(=O)NC1CCCC1 527a_100000211070_100000743197 [0,1,0,1,0,0|2,0,0]=4 19105 B12R1.108 CSC(C)C(=O)CC1CCCC1 1458a_100000149566_100000740388 [0,1,0,1,0,0|2,0,0]=4 19106 B12R1.108 CSC(C)C(=O)NC1CCCC1 11a_100000211070_100000149566 [0,1,0,1,0,0|2,0,0]=4 19107 B12R1.108 CSC(C)C(=O)NC1CCCC1 1626a_100000211070_100000149566 [0,1,0,1,0,0|2,0,0]=4 19108 B12R1.108 CSC(C)C(=O)NC1CCCC1 240690a_100000211070_100000149566 [0,1,0,1,0,0|2,0,0]=4 19109 B12R1.108 CSC(C)C(=O)NC1CCCC1 527a_100000211070_100000149566 [0,1,0,1,0,0|2,0,0]=4 19110 B12R1.108 CSC(C)C(=O)NC1CCCC1 62a_100000184002_200000210301 [0,1,0,1,0,0|2,0,0]=4 19111 B12R1.108 CSC(C)C(=O)NC1CCCC1 62a_200000210301_100000184002 [0,1,0,1,0,0|2,0,0]=4 19112 B12R1.108 O=C(CC1CCCC1)C(O)CO 1458a_100011215603_100000740388 [0,1,0,1,0,0|2,0,0]=4 19113 B12R1.108 O=C(NC1CCCC1)C(O)CO 240690a_100000211070_100011215603 [0,1,0,1,0,0|2,0,0]=4 19114 B12R1.468 CCC(C)C(=O)C1CCCC1C 1458a_100000690547_100000758301 [0,1,0,1,0,0|1,0,0]=3 19115 B12R1.468 CCC(C)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100011192722 [0,1,0,1,0,0|1,0,0]=3 19116 B12R1.468 CCC(C)C(=O)N1CCC[C@@H]1C 527a_100020605311_100011192722 [0,1,0,1,0,0|1,0,0]=3 19117 B12R1.468 CCC(C)C(=O)N1CCC[C@H]1C 11a_100015189458_100011192722 [0,1,0,1,0,0|1,0,0]=3 19118 B12R1.468 CCC(C)C(=O)N1CCC[C@H]1C 240690a_100015189458_100011192722 [0,1,0,1,0,0|1,0,0]=3 19119 B12R1.468 CCC(C)C(=O)N1CCC[C@H]1C 527a_100015189458_100011192722 [0,1,0,1,0,0|1,0,0]=3 19120 B12R1.468 CCC(C)C(=O)N1CCSC1C 11a_200011216479_100011192722 [0,1,0,1,0,0|2,0,0]=4 19121 B12R1.468 CCC(C)C(=O)N1CCSC1C 1626a_200011216479_100011192722 [0,1,0,1,0,0|2,0,0]=4 19122 B12R1.468 CCC(C)C(=O)N1CCSC1C 240690a_200011216479_100011192722 [0,1,0,1,0,0|2,0,0]=4 19123 B12R1.468 CCC(C)C(=O)N1CCSC1C 527a_200011216479_100011192722 [0,1,0,1,0,0|2,0,0]=4 19124 B12R1.468 CCC(C)C(=O)[C@@H]1CCCN1C 1458a_100009816429_100000758301 [0,1,0,1,0,0|2,0,0]=4 19125 B12R1.468 CCC(O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100011196387 [0,1,0,1,0,0|1,0,0]=3 19126 B12R1.468 CCC(O)C(=O)N1CCC[C@H]1C 240690a_100015189458_100011196387 [0,1,0,1,0,0|1,0,0]=3 19127 B12R1.468 CCC(O)C(=O)N1CCSC1C 240690a_200011216479_100011196387 [0,1,0,1,0,0|2,0,0]=4 19128 B12R1.468 CCN(C)C(=O)C1CCCC1C 11a_100000225621_100000690547 [0,1,0,1,0,0|2,0,0]=4 19129 B12R1.468 CCN(C)C(=O)C1CCCC1C 1626a_100000225621_100000690547 [0,1,0,1,0,0|2,0,0]=4 19130 B12R1.468 CCN(C)C(=O)C1CCCC1C 240690a_100000225621_100000690547 [0,1,0,1,0,0|2,0,0]=4 19131 B12R1.468 CCN(C)C(=O)C1CCCC1C 527a_100000225621_100000690547 [0,1,0,1,0,0|2,0,0]=4 19132 B12R1.468 COC(C)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000743197 [0,1,0,1,0,0|2,0,0]=4 19133 B12R1.468 COC(C)C(=O)N1CCC[C@@H]1C 527a_100020605311_100000743197 [0,1,0,1,0,0|2,0,0]=4 19134 B12R1.468 COC(C)C(=O)N1CCC[C@H]1C 11a_100015189458_100000743197 [0,1,0,1,0,0|2,0,0]=4 19135 B12R1.468 COC(C)C(=O)N1CCC[C@H]1C 240690a_100015189458_100000743197 [0,1,0,1,0,0|2,0,0]=4 19136 B12R1.468 COC(C)C(=O)N1CCC[C@H]1C 527a_100015189458_100000743197 [0,1,0,1,0,0|2,0,0]=4 19137 B12R1.468 CSC(C)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100000149566 [0,1,0,1,0,0|2,0,0]=4 19138 B12R1.468 CSC(C)C(=O)N1CCC[C@@H]1C 527a_100020605311_100000149566 [0,1,0,1,0,0|2,0,0]=4 19139 B12R1.468 CSC(C)C(=O)N1CCC[C@H]1C 11a_100015189458_100000149566 [0,1,0,1,0,0|2,0,0]=4 19140 B12R1.468 CSC(C)C(=O)N1CCC[C@H]1C 240690a_100015189458_100000149566 [0,1,0,1,0,0|2,0,0]=4 19141 B12R1.468 CSC(C)C(=O)N1CCC[C@H]1C 527a_100015189458_100000149566 [0,1,0,1,0,0|2,0,0]=4 19142 B12R1.468 C[C@@H]1CCCN1C(=O)C(O)CO 240690a_100015189458_100011215603 [0,1,0,1,0,0|2,0,0]=4 19143 B12R1.468 C[C@H]1CCCN1C(=O)C(O)CO 240690a_100020605311_100011215603 [0,1,0,1,0,0|2,0,0]=4 19144 B12R1.470 CCC(C)C(=O)NCC1CCC1 11a_100000738700_100011192722 [0,1,0,1,0,0|1,0,0]=3 19145 B12R1.470 CCC(C)C(=O)NCC1CCC1 1626a_100000738700_100011192722 [0,1,0,1,0,0|1,0,0]=3 19146 B12R1.470 CCC(C)C(=O)NCC1CCC1 240690a_100000738700_100011192722 [0,1,0,1,0,0|1,0,0]=3 19147 B12R1.470 CCC(C)C(=O)NCC1CCC1 527a_100000738700_100011192722 [0,1,0,1,0,0|1,0,0]=3 19148 B12R1.470 CCC(C)C(=O)NCC1COC1 11a_100015281925_100011192722 [0,1,0,1,0,0|2,0,0]=4 19149 B12R1.470 CCC(C)C(=O)NCC1COC1 1626a_100015281925_100011192722 [0,1,0,1,0,0|2,0,0]=4 19150 B12R1.470 CCC(C)C(=O)NCC1COC1 240690a_100015281925_100011192722 [0,1,0,1,0,0|2,0,0]=4 19151 B12R1.470 CCC(C)C(=O)NCC1COC1 527a_100015281925_100011192722 [0,1,0,1,0,0|2,0,0]=4 19152 B12R1.470 CCC(C)C(=O)NC[C@@H]1CCO1 11a_100020831831_100011192722 [0,1,0,1,0,0|2,0,0]=4 19153 B12R1.470 CCC(C)C(=O)NC[C@@H]1CCO1 1626a_100020831831_100011192722 [0,1,0,1,0,0|2,0,0]=4 19154 B12R1.470 CCC(C)C(=O)NC[C@@H]1CCO1 240690a_100020831831_100011192722 [0,1,0,1,0,0|2,0,0]=4 19155 B12R1.470 CCC(C)C(=O)NC[C@@H]1CCO1 527a_100020831831_100011192722 [0,1,0,1,0,0|2,0,0]=4 19156 B12R1.470 CCC(C)C(=O)NNC1CCC1 22a_100000736358_100011192722 [0,1,0,1,0,0|2,0,0]=4 19157 B12R1.470 CCC(C)C(C)OCC1CCC1 7a_100011215189_100000763275 [0,1,0,1,0,0|1,0,1]=4 19158 B12R1.470 CCC(O)C(=O)NCC1CCC1 240690a_100000738700_100011196387 [0,1,0,1,0,0|1,0,0]=3 19159 B12R1.470 CCC(O)C(=O)NCC1COC1 240690a_100015281925_100011196387 [0,1,0,1,0,0|2,0,0]=4 19160 B12R1.470 CCC(O)C(=O)NC[C@@H]1CCO1 240690a_100020831831_100011196387 [0,1,0,1,0,0|2,0,0]=4 19161 B12R1.470 CCC(O)C(=O)NNC1CCC1 22a_100000736358_100011196387 [0,1,0,1,0,0|2,0,0]=4 19162 B12R1.470 CCN(C)C(=O)NCC1CCC1 2708a_100000738700_100000225621 [0,1,0,1,0,0|2,0,0]=4 19163 B12R1.470 CCN(C)C(=O)NCC1CCC1 273464a_100000738700_100000225621 [0,1,0,1,0,0|2,0,0]=4 19164 B12R1.470 COC(C)C(=O)NCC1CCC1 11a_100000738700_100000743197 [0,1,0,1,0,0|2,0,0]=4 19165 B12R1.470 COC(C)C(=O)NCC1CCC1 1626a_100000738700_100000743197 [0,1,0,1,0,0|2,0,0]=4 19166 B12R1.470 COC(C)C(=O)NCC1CCC1 240690a_100000738700_100000743197 [0,1,0,1,0,0|2,0,0]=4 19167 B12R1.470 COC(C)C(=O)NCC1CCC1 527a_100000738700_100000743197 [0,1,0,1,0,0|2,0,0]=4 19168 B12R1.470 CSC(C)C(=O)NCC1CCC1 11a_100000738700_100000149566 [0,1,0,1,0,0|2,0,0]=4 19169 B12R1.470 CSC(C)C(=O)NCC1CCC1 1626a_100000738700_100000149566 [0,1,0,1,0,0|2,0,0]=4 19170 B12R1.470 CSC(C)C(=O)NCC1CCC1 240690a_100000738700_100000149566 [0,1,0,1,0,0|2,0,0]=4 19171 B12R1.470 CSC(C)C(=O)NCC1CCC1 527a_100000738700_100000149566 [0,1,0,1,0,0|2,0,0]=4 19172 B12R1.470 O=C(NCC1CCC1)C(O)CO 240690a_100000738700_100011215603 [0,1,0,1,0,0|2,0,0]=4 19173 B12R1.471 CCC(C)C(=O)CCCC1CO1 1458a_100011192722_100000733510 [0,1,0,1,0,0|2,0,0]=4 19174 B12R1.471 CCC(C)C(=O)CSCC1CC1 1458a_200011316215_100000758301 [0,1,0,1,0,0|2,0,0]=4 19175 B12R1.471 CCC(C)C(=O)NCCC1CC1 1626a_100000764129_100011192722 [0,1,0,1,0,0|1,0,0]=3 19176 B12R1.471 CCC(C)C(=O)NCCC1CC1 240690a_100000764129_100011192722 [0,1,0,1,0,0|1,0,0]=3 19177 B12R1.471 CCC(C)C(=O)NCCC1CC1 527a_100000764129_100011192722 [0,1,0,1,0,0|1,0,0]=3 19178 B12R1.471 CCC(C)C(=O)NNCC1CC1 22a_100000736359_100011192722 [0,1,0,1,0,0|2,0,0]=4 19179 B12R1.471 CCC(C)C(C)OCCC1CC1 7a_100011215189_100000764125 [0,1,0,1,0,0|1,0,1]=4 19180 B12R1.471 CCC(O)C(=O)CCCC1CO1 1458a_100011196387_100000733510 [0,1,0,1,0,0|2,0,0]=4 19181 B12R1.471 CCC(O)C(=O)NCCC1CC1 240690a_100000764129_100011196387 [0,1,0,1,0,0|1,0,0]=3 19182 B12R1.471 CCC(O)C(=O)NNCC1CC1 22a_100000736359_100011196387 [0,1,0,1,0,0|2,0,0]=4 19183 B12R1.471 CCN(C)C(=O)NCCC1CC1 2708a_100000764129_100000225621 [0,1,0,1,0,0|2,0,0]=4 19184 B12R1.471 CCN(C)C(=O)NCCC1CC1 273464a_100000764129_100000225621 [0,1,0,1,0,0|2,0,0]=4 19185 B12R1.471 COC(C)C(=O)NCCC1CC1 1626a_100000764129_100000743197 [0,1,0,1,0,0|2,0,0]=4 19186 B12R1.471 COC(C)C(=O)NCCC1CC1 240690a_100000764129_100000743197 [0,1,0,1,0,0|2,0,0]=4 19187 B12R1.471 COC(C)C(=O)NCCC1CC1 527a_100000764129_100000743197 [0,1,0,1,0,0|2,0,0]=4 19188 B12R1.471 CSC(C)C(=O)NCCC1CC1 1626a_100000764129_100000149566 [0,1,0,1,0,0|2,0,0]=4 19189 B12R1.471 CSC(C)C(=O)NCCC1CC1 240690a_100000764129_100000149566 [0,1,0,1,0,0|2,0,0]=4 19190 B12R1.471 CSC(C)C(=O)NCCC1CC1 527a_100000764129_100000149566 [0,1,0,1,0,0|2,0,0]=4 19191 B12R1.471 O=C(NCCC1CC1)C(O)CO 240690a_100000764129_100011215603 [0,1,0,1,0,0|2,0,0]=4 19192 B12R1.562 CC1(CC1)C(=O)CCCCCF 1458a_100000756474_100000729378 [0,1,0,1,0,0|2,0,0]=4 19193 B12R1.562 CC1(CC1)C(=O)CCCCCO 1458a_100000756474_100000746330 [0,1,0,1,0,0|2,0,0]=4 19194 B12R1.562 CC1(CC1)C(=O)NCCCCO 240690a_100000750430_100000756474 [0,1,0,1,0,0|2,0,0]=4 19195 B12R1.562 CC1(CC1)C(=O)NCCCCO 527a_100000750430_100000756474 [0,1,0,1,0,0|2,0,0]=4 19196 B12R1.562 CCCCCCC(=O)C1(CC1)C 1458a_100000756474_100000210757 [0,1,0,1,0,0|1,0,0]=3 19197 B12R1.562 CCCCCCC(=O)C1(CC1)F 1458a_100000055089_100000210757 [0,1,0,1,0,0|1,0,0]=3 19198 B12R1.562 CCCCCCC(=O)C1(CC1)O 1458a_100000241761_100000210757 [0,1,0,1,0,0|1,0,0]=3 19199 B12R1.562 CCCCCNC(=O)C1(CC1)C 11a_100000209983_100000756474 [0,1,0,1,0,0|1,0,0]=3 19200 B12R1.562 CCCCCNC(=O)C1(CC1)C 1626a_100000209983_100000756474 [0,1,0,1,0,0|1,0,0]=3 19201 B12R1.562 CCCCCNC(=O)C1(CC1)C 240690a_100000209983_100000756474 [0,1,0,1,0,0|1,0,0]=3 19202 B12R1.562 CCCCCNC(=O)C1(CC1)C 527a_100000209983_100000756474 [0,1,0,1,0,0|1,0,0]=3 19203 B12R1.562 CCCCCNC(=O)C1(CC1)F 11a_100000209983_100000055089 [0,1,0,1,0,0|1,0,0]=3 19204 B12R1.562 CCCCCNC(=O)C1(CC1)F 1626a_100000209983_100000055089 [0,1,0,1,0,0|1,0,0]=3 19205 B12R1.562 CCCCCNC(=O)C1(CC1)F 240690a_100000209983_100000055089 [0,1,0,1,0,0|1,0,0]=3 19206 B12R1.562 CCCCCNC(=O)C1(CC1)F 527a_100000209983_100000055089 [0,1,0,1,0,0|1,0,0]=3 19207 B12R1.562 CCCCCNC(=O)C1(CC1)O 240690a_100000209983_100000241761 [0,1,0,1,0,0|1,0,0]=3 19208 B12R1.562 CCCCNNC(=O)C1(CC1)C 22a_100025702795_100000756474 [0,1,0,1,0,0|2,0,0]=4 19209 B12R1.562 CCCCNNC(=O)C1(CC1)F 22a_100025702795_100000055089 [0,1,0,1,0,0|2,0,0]=4 19210 B12R1.562 CCCCNNC(=O)C1(CC1)O 22a_100025702795_100000241761 [0,1,0,1,0,0|2,0,0]=4 19211 B12R1.562 CCCCOCC(=O)C1(CC1)C 1458a_100000756474_100011995733 [0,1,0,1,0,0|2,0,0]=4 19212 B12R1.562 CCCCOCC(=O)C1(CC1)F 1458a_100000055089_100011995733 [0,1,0,1,0,0|2,0,0]=4 19213 B12R1.562 CCCCOCC(=O)C1(CC1)O 1458a_100000241761_100011995733 [0,1,0,1,0,0|2,0,0]=4 19214 B12R1.562 CCCOCCC(=O)C1(CC1)C 1458a_100000756474_100011215938 [0,1,0,1,0,0|2,0,0]=4 19215 B12R1.562 CCCOCCC(=O)C1(CC1)F 1458a_100000055089_100011215938 [0,1,0,1,0,0|2,0,0]=4 19216 B12R1.562 CCCOCCC(=O)C1(CC1)O 1458a_100000241761_100011215938 [0,1,0,1,0,0|2,0,0]=4 19217 B12R1.562 CCOCCCC(=O)C1(CC1)C 1458a_100000756474_100012232248 [0,1,0,1,0,0|2,0,0]=4 19218 B12R1.562 CCOCCCC(=O)C1(CC1)F 1458a_100000055089_100012232248 [0,1,0,1,0,0|2,0,0]=4 19219 B12R1.562 CCOCCCC(=O)C1(CC1)O 1458a_100000241761_100012232248 [0,1,0,1,0,0|2,0,0]=4 19220 B12R1.562 CCOCCNC(=O)C1(CC1)C 11a_100011200944_100000756474 [0,1,0,1,0,0|2,0,0]=4 19221 B12R1.562 CCOCCNC(=O)C1(CC1)C 1626a_102516460346_100000756474 [0,1,0,1,0,0|2,0,0]=4 19222 B12R1.562 CCOCCNC(=O)C1(CC1)C 240690a_100011200944_100000756474 [0,1,0,1,0,0|2,0,0]=4 19223 B12R1.562 CCOCCNC(=O)C1(CC1)C 527a_100011200944_100000756474 [0,1,0,1,0,0|2,0,0]=4 19224 B12R1.562 CCOCCNC(=O)C1(CC1)F 11a_100011200944_100000055089 [0,1,0,1,0,0|2,0,0]=4 19225 B12R1.562 CCOCCNC(=O)C1(CC1)F 1626a_102516460346_100000055089 [0,1,0,1,0,0|2,0,0]=4 19226 B12R1.562 CCOCCNC(=O)C1(CC1)F 240690a_100011200944_100000055089 [0,1,0,1,0,0|2,0,0]=4 19227 B12R1.562 CCOCCNC(=O)C1(CC1)F 527a_100011200944_100000055089 [0,1,0,1,0,0|2,0,0]=4 19228 B12R1.562 CCOCCNC(=O)C1(CC1)O 240690a_100011200944_100000241761 [0,1,0,1,0,0|2,0,0]=4 19229 B12R1.562 CCSCCNC(=O)C1(CC1)C 11a_100000106463_100000756474 [0,1,0,1,0,0|2,0,0]=4 19230 B12R1.562 CCSCCNC(=O)C1(CC1)C 1626a_100000106463_100000756474 [0,1,0,1,0,0|2,0,0]=4 19231 B12R1.562 CCSCCNC(=O)C1(CC1)C 240690a_100000106463_100000756474 [0,1,0,1,0,0|2,0,0]=4 19232 B12R1.562 CCSCCNC(=O)C1(CC1)C 527a_100000106463_100000756474 [0,1,0,1,0,0|2,0,0]=4 19233 B12R1.562 CCSCCNC(=O)C1(CC1)F 11a_100000106463_100000055089 [0,1,0,1,0,0|2,0,0]=4 19234 B12R1.562 CCSCCNC(=O)C1(CC1)F 1626a_100000106463_100000055089 [0,1,0,1,0,0|2,0,0]=4 19235 B12R1.562 CCSCCNC(=O)C1(CC1)F 240690a_100000106463_100000055089 [0,1,0,1,0,0|2,0,0]=4 19236 B12R1.562 CCSCCNC(=O)C1(CC1)F 527a_100000106463_100000055089 [0,1,0,1,0,0|2,0,0]=4 19237 B12R1.562 CCSCCNC(=O)C1(CC1)O 240690a_100000106463_100000241761 [0,1,0,1,0,0|2,0,0]=4 19238 B12R1.562 COCCCCC(=O)C1(CC1)C 1458a_100000756474_100000755781 [0,1,0,1,0,0|2,0,0]=4 19239 B12R1.562 COCCCCC(=O)C1(CC1)F 1458a_100000055089_100000755781 [0,1,0,1,0,0|2,0,0]=4 19240 B12R1.562 COCCCCC(=O)C1(CC1)O 1458a_100000241761_100000755781 [0,1,0,1,0,0|2,0,0]=4 19241 B12R1.562 COCCCNC(=O)C1(CC1)C 1626a_100150723488_100000756474 [0,1,0,1,0,0|2,0,0]=4 19242 B12R1.562 COCCCNC(=O)C1(CC1)C 240690a_100150723488_100000756474 [0,1,0,1,0,0|2,0,0]=4 19243 B12R1.562 COCCCNC(=O)C1(CC1)C 527a_100150723488_100000756474 [0,1,0,1,0,0|2,0,0]=4 19244 B12R1.562 COCCCNC(=O)C1(CC1)F 1626a_100150723488_100000055089 [0,1,0,1,0,0|2,0,0]=4 19245 B12R1.562 COCCCNC(=O)C1(CC1)F 240690a_100150723488_100000055089 [0,1,0,1,0,0|2,0,0]=4 19246 B12R1.562 COCCCNC(=O)C1(CC1)F 527a_100150723488_100000055089 [0,1,0,1,0,0|2,0,0]=4 19247 B12R1.562 COCCCNC(=O)C1(CC1)O 240690a_100150723488_100000241761 [0,1,0,1,0,0|2,0,0]=4 19248 B12R1.562 CSCCCNC(=O)C1(CC1)C 11a_100000749238_100000756474 [0,1,0,1,0,0|2,0,0]=4 19249 B12R1.562 CSCCCNC(=O)C1(CC1)C 1626a_100000749238_100000756474 [0,1,0,1,0,0|2,0,0]=4 19250 B12R1.562 CSCCCNC(=O)C1(CC1)C 240690a_100000749238_100000756474 [0,1,0,1,0,0|2,0,0]=4 19251 B12R1.562 CSCCCNC(=O)C1(CC1)C 527a_100000749238_100000756474 [0,1,0,1,0,0|2,0,0]=4 19252 B12R1.562 CSCCCNC(=O)C1(CC1)F 11a_100000749238_100000055089 [0,1,0,1,0,0|2,0,0]=4 19253 B12R1.562 CSCCCNC(=O)C1(CC1)F 1626a_100000749238_100000055089 [0,1,0,1,0,0|2,0,0]=4 19254 B12R1.562 CSCCCNC(=O)C1(CC1)F 240690a_100000749238_100000055089 [0,1,0,1,0,0|2,0,0]=4 19255 B12R1.562 CSCCCNC(=O)C1(CC1)F 527a_100000749238_100000055089 [0,1,0,1,0,0|2,0,0]=4 19256 B12R1.562 CSCCCNC(=O)C1(CC1)O 240690a_100000749238_100000241761 [0,1,0,1,0,0|2,0,0]=4 19257 B12R1.562 O=C(CCCCCF)C1(CC1)F 1458a_100000055089_100000729378 [0,1,0,1,0,0|2,0,0]=4 19258 B12R1.562 O=C(CCCCCF)C1(CC1)O 1458a_100000241761_100000729378 [0,1,0,1,0,0|2,0,0]=4 19259 B12R1.562 O=C(CCCCCO)C1(CC1)F 1458a_100000055089_100000746330 [0,1,0,1,0,0|2,0,0]=4 19260 B12R1.562 O=C(CCCCCO)C1(CC1)O 1458a_100000241761_100000746330 [0,1,0,1,0,0|2,0,0]=4 19261 B12R1.562 O=C(NCCCCO)C1(CC1)F 240690a_100000750430_100000055089 [0,1,0,1,0,0|2,0,0]=4 19262 B12R1.562 O=C(NCCCCO)C1(CC1)F 527a_100000750430_100000055089 [0,1,0,1,0,0|2,0,0]=4 19263 B12R1.562 O=C(NCCCCO)C1(CC1)O 240690a_100000750430_100000241761 [0,1,0,1,0,0|2,0,0]=4 19264 B12R1.1965 CCN1CCNC(=O)C1(C)CC 2230a_100011653952_100000210202 [0,1,0,1,0,0|2,0,0]=4 19265 B12R1.1965 CCN1CCNC(=O)C1(C)CC 269982a_100011653952_100000204670 [0,1,0,1,0,0|2,0,0]=4 19266 B12R1.1965 CCN1CCNC(=O)C1(C)CC 34a_100011653952_100000210202 [0,1,0,1,0,0|2,0,0]=4 19267 B12R1.25 CCNCC1CCCC(=O)N1C 2230a_200010383782_100000210202 [0,1,0,1,0,0|2,0,0]=4 19268 B12R1.25 CCNCC1CCCC(=O)N1C 34a_200010383782_100000210202 [0,1,0,1,0,0|2,0,0]=4 19269 B12R1.35 CCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210326 [0,1,0,1,0,0|2,0,0]=4 19270 B12R1.55 CCCC(=O)C(C)N1CCCC1 1458a_100025750167_100000210303 [0,1,0,1,0,0|2,0,0]=4 19271 B12R1.55 CCCC(=O)N(C)C1CCCC1 11a_100000207505_100000211992 [0,1,0,1,0,0|1,0,0]=3 19272 B12R1.55 CCCC(=O)N(C)C1CCCC1 1626a_100000207505_100000211992 [0,1,0,1,0,0|1,0,0]=3 19273 B12R1.55 CCCC(=O)N(C)C1CCCC1 240690a_100000207505_100000211992 [0,1,0,1,0,0|1,0,0]=3 19274 B12R1.55 CCCC(=O)N(C)C1CCCC1 527a_100000207505_100000211992 [0,1,0,1,0,0|1,0,0]=3 19275 B12R1.55 CCCC(=O)N(C)C1CCOC1 11a_100016988252_100000211992 [0,1,0,1,0,0|2,0,0]=4 19276 B12R1.55 CCCC(=O)N(C)C1CCOC1 1626a_100016988252_100000211992 [0,1,0,1,0,0|2,0,0]=4 19277 B12R1.55 CCCC(=O)N(C)C1CCOC1 240690a_100016988252_100000211992 [0,1,0,1,0,0|2,0,0]=4 19278 B12R1.55 CCCC(=O)N(C)C1CCOC1 527a_100016988252_100000211992 [0,1,0,1,0,0|2,0,0]=4 19279 B12R1.55 CCNC(=O)C(=O)C1CCCC1 1458a_200011297158_100000179811 [0,1,0,1,0,0|2,0,0]=4 19280 B12R1.55 CCNC(=O)N(C)C1CCCC1 2708a_100015525214_100000207505 [0,1,0,1,0,0|2,0,0]=4 19281 B12R1.55 CCNC(=O)N(C)C1CCCC1 273464a_100015525214_100000207505 [0,1,0,1,0,0|2,0,0]=4 19282 B12R1.55 CN(C(=O)CCO)C1CCCC1 240690a_100000207505_100011216618 [0,1,0,1,0,0|2,0,0]=4 19283 B12R1.55 COCC(=O)N(C)C1CCCC1 11a_100000207505_100000210968 [0,1,0,1,0,0|2,0,0]=4 19284 B12R1.55 COCC(=O)N(C)C1CCCC1 1626a_100000207505_100000210968 [0,1,0,1,0,0|2,0,0]=4 19285 B12R1.55 COCC(=O)N(C)C1CCCC1 240690a_100000207505_100000210968 [0,1,0,1,0,0|2,0,0]=4 19286 B12R1.55 COCC(=O)N(C)C1CCCC1 527a_100000207505_100000210968 [0,1,0,1,0,0|2,0,0]=4 19287 B12R1.55 CSCC(=O)N(C)C1CCCC1 11a_100000207505_100000184570 [0,1,0,1,0,0|2,0,0]=4 19288 B12R1.55 CSCC(=O)N(C)C1CCCC1 1626a_100000207505_100000184570 [0,1,0,1,0,0|2,0,0]=4 19289 B12R1.55 CSCC(=O)N(C)C1CCCC1 240690a_100000207505_100000184570 [0,1,0,1,0,0|2,0,0]=4 19290 B12R1.55 CSCC(=O)N(C)C1CCCC1 527a_100000207505_100000184570 [0,1,0,1,0,0|2,0,0]=4 19291 B12R1.312 CCCC(=O)C1CCN(C1)CC 1458a_100103286618_100000210303 [0,1,0,1,0,0|2,0,0]=4 19292 B12R1.312 CCCC(=O)N1CCC(C1)CO 240690a_100000748654_100000211992 [0,1,0,1,0,0|2,0,0]=4 19293 B12R1.312 CCCC(=O)N1CCC(C1)CO 527a_100000748654_100000211992 [0,1,0,1,0,0|2,0,0]=4 19294 B12R1.312 CCCC(=O)N1CC[C@H](C1)OC 11a_100000766984_100000211992 [0,1,0,1,0,0|2,0,0]=4 19295 B12R1.312 CCCC(=O)N1CC[C@H](C1)OC 1626a_100000766984_100000211992 [0,1,0,1,0,0|2,0,0]=4 19296 B12R1.312 CCCC(=O)N1CC[C@H](C1)OC 240690a_100000766984_100000211992 [0,1,0,1,0,0|2,0,0]=4 19297 B12R1.312 CCCC(=O)N1CC[C@H](C1)OC 527a_100000766984_100000211992 [0,1,0,1,0,0|2,0,0]=4 19298 B12R1.555 CCCC(=O)N(C)CC1CCC1 11a_200000750244_100000211992 [0,1,0,1,0,0|1,0,0]=3 19299 B12R1.555 CCCC(=O)N(C)CC1CCC1 1626a_200000750244_100000211992 [0,1,0,1,0,0|1,0,0]=3 19300 B12R1.555 CCCC(=O)N(C)CC1CCC1 240690a_200000750244_100000211992 [0,1,0,1,0,0|1,0,0]=3 19301 B12R1.555 CCCC(=O)N(C)CC1CCC1 527a_200000750244_100000211992 [0,1,0,1,0,0|1,0,0]=3 19302 B12R1.555 CCNC(=O)C(=O)CC1CCC1 1458a_200011297158_100000763275 [0,1,0,1,0,0|2,0,0]=4 19303 B12R1.555 CCNC(=O)N(C)CC1CCC1 2708a_100015525214_200000750244 [0,1,0,1,0,0|2,0,0]=4 19304 B12R1.555 CCNC(=O)N(C)CC1CCC1 273464a_100015525214_200000750244 [0,1,0,1,0,0|2,0,0]=4 19305 B12R1.555 CN(CC1CCC1)C(=O)CCO 240690a_200000750244_100011216618 [0,1,0,1,0,0|2,0,0]=4 19306 B12R1.555 COCC(=O)N(C)CC1CCC1 11a_200000750244_100000210968 [0,1,0,1,0,0|2,0,0]=4 19307 B12R1.555 COCC(=O)N(C)CC1CCC1 1626a_200000750244_100000210968 [0,1,0,1,0,0|2,0,0]=4 19308 B12R1.555 COCC(=O)N(C)CC1CCC1 240690a_200000750244_100000210968 [0,1,0,1,0,0|2,0,0]=4 19309 B12R1.555 COCC(=O)N(C)CC1CCC1 527a_200000750244_100000210968 [0,1,0,1,0,0|2,0,0]=4 19310 B12R1.555 CSCC(=O)N(C)CC1CCC1 11a_200000750244_100000184570 [0,1,0,1,0,0|2,0,0]=4 19311 B12R1.555 CSCC(=O)N(C)CC1CCC1 1626a_200000750244_100000184570 [0,1,0,1,0,0|2,0,0]=4 19312 B12R1.555 CSCC(=O)N(C)CC1CCC1 240690a_200000750244_100000184570 [0,1,0,1,0,0|2,0,0]=4 19313 B12R1.555 CSCC(=O)N(C)CC1CCC1 527a_200000750244_100000184570 [0,1,0,1,0,0|2,0,0]=4 19314 B12R1.556 CCNC(=O)C(=O)CCC1CC1 1458a_200011297158_100000694398 [0,1,0,1,0,0|2,0,0]=4 19315 B12R1.652 CCC1C(=O)N(CCN1CC)C 2230a_100015184039_100000210202 [0,1,0,1,0,0|2,0,0]=4 19316 B12R1.652 CCC1C(=O)N(CCN1CC)C 269982a_100015184039_100000204670 [0,1,0,1,0,0|2,0,0]=4 19317 B12R1.652 CCC1C(=O)N(CCN1CC)C 34a_100015184039_100000210202 [0,1,0,1,0,0|2,0,0]=4 19318 B12R1.689 CCCCCC(C)C(=O)C1CC1 1458a_100000210395_200011218191 [0,1,0,1,0,0|1,0,0]=3 19319 B12R1.689 CCCCCC(C)C(=O)C1CO1 1458a_100000701028_200011218191 [0,1,0,1,0,0|2,0,0]=4 19320 B12R1.689 CCCCCN(C)C(=O)C1CC1 11a_100000223495_100000210395 [0,1,0,1,0,0|1,0,0]=3 19321 B12R1.689 CCCCCN(C)C(=O)C1CC1 1626a_100000223495_100000210395 [0,1,0,1,0,0|1,0,0]=3 19322 B12R1.689 CCCCCN(C)C(=O)C1CC1 240690a_100000223495_100000210395 [0,1,0,1,0,0|1,0,0]=3 19323 B12R1.689 CCCCCN(C)C(=O)C1CC1 527a_100000223495_100000210395 [0,1,0,1,0,0|1,0,0]=3 19324 B12R1.689 CCCCCN(C)C(=O)C1CO1 11a_100000223495_100000701028 [0,1,0,1,0,0|2,0,0]=4 19325 B12R1.689 CCCCCN(C)C(=O)C1CO1 1626a_100000223495_100000701028 [0,1,0,1,0,0|2,0,0]=4 19326 B12R1.689 CCCCCN(C)C(=O)C1CO1 240690a_100000223495_100000701028 [0,1,0,1,0,0|2,0,0]=4 19327 B12R1.689 CCCCCN(C)C(=O)C1CO1 527a_100000223495_100000701028 [0,1,0,1,0,0|2,0,0]=4 19328 B12R1.689 CN(CCCCO)C(=O)C1CC1 240690a_100000717598_100000210395 [0,1,0,1,0,0|2,0,0]=4 19329 B12R1.689 COCCCN(C)C(=O)C1CC1 11a_100000224831_100000210395 [0,1,0,1,0,0|2,0,0]=4 19330 B12R1.689 COCCCN(C)C(=O)C1CC1 1626a_100000224831_100000210395 [0,1,0,1,0,0|2,0,0]=4 19331 B12R1.689 COCCCN(C)C(=O)C1CC1 240690a_100000224831_100000210395 [0,1,0,1,0,0|2,0,0]=4 19332 B12R1.689 COCCCN(C)C(=O)C1CC1 527a_100000224831_100000210395 [0,1,0,1,0,0|2,0,0]=4 19333 B12R1.1595 CC1(CCCCC1)C(=O)CCF 1458a_100000762840_100011217306 [0,1,0,1,0,0|2,0,0]=4 19334 B12R1.1595 CC1(CCCCC1)C(=O)CCO 1458a_100000762840_100000211926 [0,1,0,1,0,0|2,0,0]=4 19335 B12R1.1595 CCCC(=O)C1(CCCCC1)C 1458a_100000762840_100000210303 [0,1,0,1,0,0|1,0,0]=3 19336 B12R1.1595 CCCC(=O)C1(CCCCC1)F 1458a_100000069003_100000210303 [0,1,0,1,0,0|1,0,0]=3 19337 B12R1.1595 CCCC(=O)C1(CCCCC1)O 1458a_100000242742_100000210303 [0,1,0,1,0,0|1,0,0]=3 19338 B12R1.1595 CCCC(=O)C1(CCOCC1)C 1458a_100000749465_100000210303 [0,1,0,1,0,0|2,0,0]=4 19339 B12R1.1595 CCCC(=O)C1(CCOCC1)F 1458a_100009845733_100000210303 [0,1,0,1,0,0|2,0,0]=4 19340 B12R1.1595 CCCC(=O)C1(CCOCC1)O 1458a_100000751969_100000210303 [0,1,0,1,0,0|2,0,0]=4 19341 B12R1.1595 CCNC(=O)C1(CCCCC1)C 11a_100015525214_100000762840 [0,1,0,1,0,0|2,0,0]=4 19342 B12R1.1595 CCNC(=O)C1(CCCCC1)C 240690a_100015525214_100000762840 [0,1,0,1,0,0|2,0,0]=4 19343 B12R1.1595 CCNC(=O)C1(CCCCC1)C 527a_100015525214_100000762840 [0,1,0,1,0,0|2,0,0]=4 19344 B12R1.1595 CCNC(=O)C1(CCCCC1)F 11a_100015525214_100000069003 [0,1,0,1,0,0|2,0,0]=4 19345 B12R1.1595 CCNC(=O)C1(CCCCC1)F 240690a_100015525214_100000069003 [0,1,0,1,0,0|2,0,0]=4 19346 B12R1.1595 CCNC(=O)C1(CCCCC1)F 527a_100015525214_100000069003 [0,1,0,1,0,0|2,0,0]=4 19347 B12R1.1595 CCNC(=O)C1(CCCCC1)O 240690a_100015525214_100000242742 [0,1,0,1,0,0|2,0,0]=4 19348 B12R1.1595 O=C(CCF)C1(CCCCC1)F 1458a_100000069003_100011217306 [0,1,0,1,0,0|2,0,0]=4 19349 B12R1.1595 O=C(CCF)C1(CCCCC1)O 1458a_100000242742_100011217306 [0,1,0,1,0,0|2,0,0]=4 19350 B12R1.1595 O=C(CCO)C1(CCCCC1)F 1458a_100000069003_100000211926 [0,1,0,1,0,0|2,0,0]=4 19351 B12R1.1595 O=C(CCO)C1(CCCCC1)O 1458a_100000242742_100000211926 [0,1,0,1,0,0|2,0,0]=4 19352 B12R1.72 C#CC(CCC)OC1CCCC1 34a_200011217317_100000179811 [0,1,0,1,0,0|1,0,1]=4 19353 B12R1.72 C#CC(CCC)OC1CCCC1 7a_200011217317_100000179811 [0,1,0,1,0,0|1,0,1]=4 19354 B12R1.72 C=CC(CCC)OC1CCCC1 34a_100011216692_100000179811 [0,1,0,1,0,0|1,0,1]=4 19355 B12R1.72 C=CC(CCC)OC1CCCC1 7a_100011216692_100000179811 [0,1,0,1,0,0|1,0,1]=4 19356 B12R1.72 CCCC(C#N)OC1CCCC1 34a_100000686963_100000179811 [0,1,0,1,0,0|1,0,1]=4 19357 B12R1.72 CCCC(C#N)OC1CCCC1 7a_100000686963_100000179811 [0,1,0,1,0,0|1,0,1]=4 19358 B12R1.72 CCCC(CC)OC1CCCC1 34a_100000687864_100000179811 [0,1,0,1,0,0|1,0,1]=4 19359 B12R1.72 CCCC(CC)OC1CCCC1 7a_100000210269_100011219200 [0,1,0,1,0,0|1,0,1]=4 19360 B12R1.72 CCCC(CC)OC1CCCC1 7a_100000687864_100000179811 [0,1,0,1,0,0|1,0,1]=4 19361 B12R1.137 C#CC(CCC)OCC1CCC1 34a_200011217317_100000763275 [0,1,0,1,0,0|1,0,1]=4 19362 B12R1.137 C#CC(CCC)OCC1CCC1 7a_200011217317_100000763275 [0,1,0,1,0,0|1,0,1]=4 19363 B12R1.137 C=CC(CCC)OCC1CCC1 34a_100011216692_100000763275 [0,1,0,1,0,0|1,0,1]=4 19364 B12R1.137 C=CC(CCC)OCC1CCC1 7a_100011216692_100000763275 [0,1,0,1,0,0|1,0,1]=4 19365 B12R1.137 CCCC(C#N)OCC1CCC1 34a_100000686963_100000763275 [0,1,0,1,0,0|1,0,1]=4 19366 B12R1.137 CCCC(C#N)OCC1CCC1 7a_100000686963_100000763275 [0,1,0,1,0,0|1,0,1]=4 19367 B12R1.137 CCCC(CC)OCC1CCC1 34a_100000687864_100000763275 [0,1,0,1,0,0|1,0,1]=4 19368 B12R1.137 CCCC(CC)OCC1CCC1 7a_100000687864_100000763275 [0,1,0,1,0,0|1,0,1]=4 19369 B12R1.138 C#CC(CCC)OCCC1CC1 34a_200011217317_100000694398 [0,1,0,1,0,0|1,0,1]=4 19370 B12R1.138 C#CC(CCC)OCCC1CC1 7a_200011217317_100000764125 [0,1,0,1,0,0|1,0,1]=4 19371 B12R1.138 C=CC(CCC)OCCC1CC1 34a_100011216692_100000694398 [0,1,0,1,0,0|1,0,1]=4 19372 B12R1.138 C=CC(CCC)OCCC1CC1 7a_100011216692_100000764125 [0,1,0,1,0,0|1,0,1]=4 19373 B12R1.138 CCCC(C#N)OCCC1CC1 34a_100000686963_100000694398 [0,1,0,1,0,0|1,0,1]=4 19374 B12R1.138 CCCC(C#N)OCCC1CC1 7a_100000686963_100000764125 [0,1,0,1,0,0|1,0,1]=4 19375 B12R1.138 CCCC(CC)OCCC1CC1 34a_100000687864_100000694398 [0,1,0,1,0,0|1,0,1]=4 19376 B12R1.138 CCCC(CC)OCCC1CC1 7a_100000687864_100000764125 [0,1,0,1,0,0|1,0,1]=4 19377 B12R1.138 CCCC(CC)OCCC1CC1 7a_100000754188_100011219200 [0,1,0,1,0,0|1,0,1]=4 19378 B12R1.572 CCCCCOC(CC)C1CC1 34a_100011351122_100000718602 [0,1,0,1,0,0|1,0,1]=4 19379 B12R1.572 CCCCCOC(CC)C1CC1 7a_100011351122_100000210326 [0,1,0,1,0,0|1,0,1]=4 19380 B12R1.572 CCCCCOC(CN)C1CC1 34a_100000751198_100000718602 [0,1,0,1,0,0|1,0,1]=4 19381 B12R1.610 CCCC(CC)OCC1CC1C 7a_100000744939_100011219200 [0,1,0,1,0,0|1,0,1]=4 19382 B12R1.16 C=C1CCC(CC1)C(=O)CCC 1458a_200000138047_100000210303 [0,1,0,1,0,0|1,0,1]=4 19383 B12R1.16 C=C1CCN(CC1)C(=O)CCC 11a_100000752442_100000211992 [0,1,0,1,0,0|1,0,1]=4 19384 B12R1.16 C=C1CCN(CC1)C(=O)CCC 1626a_100000752442_100000211992 [0,1,0,1,0,0|1,0,1]=4 19385 B12R1.16 C=C1CCN(CC1)C(=O)CCC 240690a_100000752442_100000211992 [0,1,0,1,0,0|1,0,1]=4 19386 B12R1.16 C=C1CCN(CC1)C(=O)CCC 527a_100000752442_100000211992 [0,1,0,1,0,0|1,0,1]=4 19387 B12R1.16 CC1CCC(CC1)C(=O)CCO 1458a_100011216618_200011216234 [0,1,0,1,0,0|2,0,0]=4 19388 B12R1.16 CC1CCN(CC1)C(=O)CCO 240690a_100000188429_100011216618 [0,1,0,1,0,0|2,0,0]=4 19389 B12R1.16 CC1CCN(CC1)C(=O)CS[13CH3] 62a_100000182867_200025704644 [0,1,0,1,0,0|2,0,0]=4 19390 B12R1.16 CC1CCN(CC1)C(=O)CS[13CH3] 62a_200025704644_100000182867 [0,1,0,1,0,0|2,0,0]=4 19391 B12R1.16 CCCC(=O)C1CCC(CC1)C 1458a_100000211992_200011216234 [0,1,0,1,0,0|1,0,0]=3 19392 B12R1.16 CCCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210303 [0,1,0,1,0,0|1,0,0]=3 19393 B12R1.16 CCCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210303 [0,1,0,1,0,0|2,0,0]=4 19394 B12R1.16 CCCC(=O)N1CCC(CC1)C 240690a_100000188429_100000211992 [0,1,0,1,0,0|1,0,0]=3 19395 B12R1.16 CCCC(=O)N1CCC(CC1)C 527a_100000188429_100000211992 [0,1,0,1,0,0|1,0,0]=3 19396 B12R1.16 CCCC(=O)N1CCC(CC1)F 11a_100015193889_100000211992 [0,1,0,1,0,0|1,0,0]=3 19397 B12R1.16 CCCC(=O)N1CCC(CC1)F 1626a_100015193889_100000211992 [0,1,0,1,0,0|1,0,0]=3 19398 B12R1.16 CCCC(=O)N1CCC(CC1)F 240690a_100015193889_100000211992 [0,1,0,1,0,0|1,0,0]=3 19399 B12R1.16 CCCC(=O)N1CCC(CC1)F 527a_100015193889_100000211992 [0,1,0,1,0,0|1,0,0]=3 19400 B12R1.16 CCCC(=O)N1CCC(CC1)O 240690a_100025773856_100000211992 [0,1,0,1,0,0|1,0,0]=3 19401 B12R1.16 CCCC(=O)N1CCC(CC1)O 527a_100025773856_100000211992 [0,1,0,1,0,0|1,0,0]=3 19402 B12R1.16 CCCC(=O)N1CCN(CC1)C 11a_100000188432_100000211992 [0,1,0,1,0,0|2,0,0]=4 19403 B12R1.16 CCCC(=O)N1CCN(CC1)C 2230a_102495365011_200000210301 [0,1,0,1,0,0|2,0,0]=4 19404 B12R1.16 CCCC(=O)N1CCN(CC1)C 240690a_100000188432_100000211992 [0,1,0,1,0,0|2,0,0]=4 19405 B12R1.16 CCCC(=O)N1CCN(CC1)C 269982a_102495365011_200000210301 [0,1,0,1,0,0|2,0,0]=4 19406 B12R1.16 CCCC(=O)N1CCN(CC1)C 527a_100000188432_100000211992 [0,1,0,1,0,0|2,0,0]=4 19407 B12R1.16 CCCC(=O)N1CCN(CC1)[13CH3] 2230a_102495365011_200025704644 [0,1,0,1,0,0|2,0,0]=4 19408 B12R1.16 CCCC(=O)N1CCN(CC1)[13CH3] 269982a_102495365011_200025704644 [0,1,0,1,0,0|2,0,0]=4 19409 B12R1.16 CCCC(=O)N1CCS(=O)CC1 240690a_100000752083_100000211992 [0,1,0,1,0,0|2,0,0]=4 19410 B12R1.16 CCCC(=O)N1CCS(=O)CC1 527a_100000752083_100000211992 [0,1,0,1,0,0|2,0,0]=4 19411 B12R1.16 CCCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210303 [0,1,0,1,0,0|1,0,0]=3 19412 B12R1.16 CCNC(=O)C1CCC(CC1)O 240690a_100015525214_100000743365 [0,1,0,1,0,0|2,0,0]=4 19413 B12R1.16 CCNC(=O)C1CCC(CC1)O 527a_100015525214_100000743365 [0,1,0,1,0,0|2,0,0]=4 19414 B12R1.16 CCNC(=O)N1CCC(CC1)C 2708a_100015525214_100000188429 [0,1,0,1,0,0|2,0,0]=4 19415 B12R1.16 CCNC(=O)N1CCC(CC1)C 273464a_100015525214_100000188429 [0,1,0,1,0,0|2,0,0]=4 19416 B12R1.16 CCNC(=O)N1CCC(CC1)F 2708a_100015525214_100015193889 [0,1,0,1,0,0|2,0,0]=4 19417 B12R1.16 CCNC(=O)N1CCC(CC1)F 273464a_100015525214_100015193889 [0,1,0,1,0,0|2,0,0]=4 19418 B12R1.16 CCNC(=O)N1CCC(CC1)O 2708a_100015525214_100025773856 [0,1,0,1,0,0|2,0,0]=4 19419 B12R1.16 CCNC(=O)N1CCC(CC1)O 273464a_100015525214_100025773856 [0,1,0,1,0,0|2,0,0]=4 19420 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 11a_100015525214_100009815934 [0,1,0,1,0,0|2,0,0]=4 19421 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100015525214_100009815934 [0,1,0,1,0,0|2,0,0]=4 19422 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100015525214_100009815934 [0,1,0,1,0,0|2,0,0]=4 19423 B12R1.16 CNCC(=O)N1CCC(CC1)C 2230a_106832991635_100000182867 [0,1,0,1,0,0|2,0,0]=4 19424 B12R1.16 CNCC(=O)N1CCC(CC1)C 34a_100102657272_100000182867 [0,1,0,1,0,0|2,0,0]=4 19425 B12R1.16 CNCC(=O)N1CCC(CC1)C 7a_106832991635_100000182867 [0,1,0,1,0,0|2,0,0]=4 19426 B12R1.16 COCC(=O)C1CCC(CC1)C 1458a_100000210968_200011216234 [0,1,0,1,0,0|2,0,0]=4 19427 B12R1.16 COCC(=O)N1CCC(CC1)C 240690a_100000188429_100000210968 [0,1,0,1,0,0|2,0,0]=4 19428 B12R1.16 COCC(=O)N1CCC(CC1)C 34a_100138415774_100000182867 [0,1,0,1,0,0|2,0,0]=4 19429 B12R1.16 COCC(=O)N1CCC(CC1)C 527a_100000188429_100000210968 [0,1,0,1,0,0|2,0,0]=4 19430 B12R1.16 COCC(=O)N1CCC(CC1)F 11a_100015193889_100000210968 [0,1,0,1,0,0|2,0,0]=4 19431 B12R1.16 COCC(=O)N1CCC(CC1)F 1626a_100015193889_100000210968 [0,1,0,1,0,0|2,0,0]=4 19432 B12R1.16 COCC(=O)N1CCC(CC1)F 240690a_100015193889_100000210968 [0,1,0,1,0,0|2,0,0]=4 19433 B12R1.16 COCC(=O)N1CCC(CC1)F 527a_100015193889_100000210968 [0,1,0,1,0,0|2,0,0]=4 19434 B12R1.16 COCC(=O)N1CCC(CC1)O 240690a_100025773856_100000210968 [0,1,0,1,0,0|2,0,0]=4 19435 B12R1.16 COCC(=O)N1CCC(CC1)O 527a_100025773856_100000210968 [0,1,0,1,0,0|2,0,0]=4 19436 B12R1.16 CSCC(=O)C1CCC(CC1)C 1458a_100000184570_200011216234 [0,1,0,1,0,0|2,0,0]=4 19437 B12R1.16 CSCC(=O)N1CCC(CC1)C 240690a_100000188429_100000184570 [0,1,0,1,0,0|2,0,0]=4 19438 B12R1.16 CSCC(=O)N1CCC(CC1)C 527a_100000188429_100000184570 [0,1,0,1,0,0|2,0,0]=4 19439 B12R1.16 CSCC(=O)N1CCC(CC1)C 62a_100000182867_200000210301 [0,1,0,1,0,0|2,0,0]=4 19440 B12R1.16 CSCC(=O)N1CCC(CC1)C 62a_200000210301_100000182867 [0,1,0,1,0,0|2,0,0]=4 19441 B12R1.16 CSCC(=O)N1CCC(CC1)F 11a_100015193889_100000184570 [0,1,0,1,0,0|2,0,0]=4 19442 B12R1.16 CSCC(=O)N1CCC(CC1)F 1626a_100015193889_100000184570 [0,1,0,1,0,0|2,0,0]=4 19443 B12R1.16 CSCC(=O)N1CCC(CC1)F 240690a_100015193889_100000184570 [0,1,0,1,0,0|2,0,0]=4 19444 B12R1.16 CSCC(=O)N1CCC(CC1)F 527a_100015193889_100000184570 [0,1,0,1,0,0|2,0,0]=4 19445 B12R1.16 CSCC(=O)N1CCC(CC1)O 240690a_100025773856_100000184570 [0,1,0,1,0,0|2,0,0]=4 19446 B12R1.16 CSCC(=O)N1CCC(CC1)O 527a_100025773856_100000184570 [0,1,0,1,0,0|2,0,0]=4 19447 B12R1.16 C[C@H]1CC[C@@H](CC1)C(=O)CCF 1458a_100009815934_100011217306 [0,1,0,1,0,0|2,0,0]=4 19448 B12R1.16 C[C@H]1CC[C@@H](CC1)C(=O)CCO 1458a_100009815934_100000211926 [0,1,0,1,0,0|2,0,0]=4 19449 B12R1.16 O=C(CCF)C1CCC(CC1)O 1458a_100000743365_100011217306 [0,1,0,1,0,0|2,0,0]=4 19450 B12R1.16 O=C(CCO)C1CCC(CC1)O 1458a_100000743365_100000211926 [0,1,0,1,0,0|2,0,0]=4 19451 B12R1.16 O=C(CCO)N1CCC(CC1)F 240690a_100015193889_100011216618 [0,1,0,1,0,0|2,0,0]=4 19452 B12R1.16 O=C(CCO)N1CCC(CC1)O 240690a_100025773856_100011216618 [0,1,0,1,0,0|2,0,0]=4 19453 B12R1.50 CCC(C)OC1CCCC(=O)C1 34a_100012613340_100011215416 [0,1,0,1,0,0|2,0,0]=4 19454 B12R1.353 CCC(=O)CCN1CCCC1=O 1458a_100000210414_100000742232 [0,1,0,1,0,0|1,0,1]=4 19455 B12R1.353 CCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210202 [0,1,0,1,0,0|1,0,1]=4 19456 B12R1.353 CCC(C)CNC1CCCC1=O 2230a_100020588543_100000211823 [0,1,0,1,0,0|2,0,0]=4 19457 B12R1.353 CCC(C)COC1CCCC1=O 34a_200000719330_100000748023 [0,1,0,1,0,0|2,0,0]=4 19458 B12R1.353 CCC(C)CSC1CCCC1=O 62a_100000211823_100000748023 [0,1,0,1,0,0|2,0,0]=4 19459 B12R1.353 CCC(C)CSC1CCCC1=O 62a_100000748023_100000211823 [0,1,0,1,0,0|2,0,0]=4 19460 B12R1.353 CCC(C)SCN1CCCC1=O 62a_100000026320_100000758301 [0,1,0,1,0,0|2,0,0]=4 19461 B12R1.353 CCC(C)SCN1CCCC1=O 62a_100000758301_100000026320 [0,1,0,1,0,0|2,0,0]=4 19462 B12R1.353 CCC(O)CNC1CCCC1=O 2230a_100011218483_100000211823 [0,1,0,1,0,0|2,0,0]=4 19463 B12R1.353 CCC(O)COC1CCCC1=O 34a_200000719330_100011218378 [0,1,0,1,0,0|2,0,0]=4 19464 B12R1.353 CCC(O)CSC1CCCC1=O 62a_100000211823_100011218378 [0,1,0,1,0,0|2,0,0]=4 19465 B12R1.353 CCC(O)CSC1CCCC1=O 62a_100011218378_100000211823 [0,1,0,1,0,0|2,0,0]=4 19466 B12R1.353 CCN(C)CCN1CCCC1=O 2230a_100000225621_100000739059 [0,1,0,1,0,0|2,0,0]=4 19467 B12R1.353 CCN(C)CCN1CCCC1=O 269982a_100000225621_100000739059 [0,1,0,1,0,0|2,0,0]=4 19468 B12R1.353 CC[C@H](C)COC1CCCC1=O 34a_200000719330_100009816398 [0,1,0,1,0,0|2,0,0]=4 19469 B12R1.353 CC[C@H](C)COC1CCCC1=O 7a_100009816381_100000211823 [0,1,0,1,0,0|2,0,0]=4 19470 B12R1.353 CC[C@H](C)CSC1CCCC1=O 62a_100000211823_100009816398 [0,1,0,1,0,0|2,0,0]=4 19471 B12R1.353 CC[C@H](C)CSC1CCCC1=O 62a_100009816398_100000211823 [0,1,0,1,0,0|2,0,0]=4 19472 B12R1.477 CCC(C)CCOC1CCCC1 7a_100011215188_100000179811 [0,1,0,1,0,0|1,0,1]=4 19473 B12R1.1527 CCCC(=O)CNCC1(CC1)C 2230a_100000766693_100000747444 [0,1,0,1,0,0|2,0,0]=4 19474 B12R1.1527 CCCC(=O)CNCC1(CC1)O 2230a_100011936951_100000747444 [0,1,0,1,0,0|2,0,0]=4 19475 B12R1.1527 CCCC(=O)COCC1(CC1)C 7a_100000698024_100000747444 [0,1,0,1,0,0|2,0,0]=4 19476 B12R1.1527 CCCC(=O)COCC1(CC1)F 7a_200000703853_100000747444 [0,1,0,1,0,0|2,0,0]=4 19477 B12R1.1527 CCCC(=O)OCNC1(CC1)C 2230a_100000757604_100000034017 [0,1,0,1,0,0|1,0,0]=3 19478 B12R1.1619 CCCC(=O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000747444 [0,1,0,1,0,0|2,0,0]=4 19479 B12R1.1619 CCCC(=O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000747444 [0,1,0,1,0,0|2,0,0]=4 19480 B12R1.1689 CC(CF)OCOC(=O)C1CC1 34a_100016041109_100000140896 [0,1,0,1,0,0|2,0,0]=4 19481 B12R1.1689 CC(CN)OCOC(=O)C1CC1 34a_100000210904_100000140896 [0,1,0,1,0,0|2,0,0]=4 19482 B12R1.1689 CC(CO)CCNC(=O)C1CC1 240690a_106354213184_100000210395 [0,1,0,1,0,0|2,0,0]=4 19483 B12R1.1689 CC(CO)CCNC(=O)C1CC1 527a_106354213184_100000210395 [0,1,0,1,0,0|2,0,0]=4 19484 B12R1.1689 CC(CO)SCOC(=O)C1CC1 62a_100012180447_100000140896 [0,1,0,1,0,0|2,0,0]=4 19485 B12R1.1689 CCC(C)CCNC(=O)C1CC1 11a_100020591266_100000210395 [0,1,0,1,0,0|1,0,0]=3 19486 B12R1.1689 CCC(C)CCNC(=O)C1CC1 1626a_100020591266_100000210395 [0,1,0,1,0,0|1,0,0]=3 19487 B12R1.1689 CCC(C)CCNC(=O)C1CC1 240690a_100020591266_100000210395 [0,1,0,1,0,0|1,0,0]=3 19488 B12R1.1689 CCC(C)CCNC(=O)C1CC1 527a_100020591266_100000210395 [0,1,0,1,0,0|1,0,0]=3 19489 B12R1.1689 CCC(C)CCNC(=O)C1CO1 11a_100020591266_100000701028 [0,1,0,1,0,0|2,0,0]=4 19490 B12R1.1689 CCC(C)CCNC(=O)C1CO1 1626a_100020591266_100000701028 [0,1,0,1,0,0|2,0,0]=4 19491 B12R1.1689 CCC(C)CCNC(=O)C1CO1 240690a_100020591266_100000701028 [0,1,0,1,0,0|2,0,0]=4 19492 B12R1.1689 CCC(C)CCNC(=O)C1CO1 527a_100020591266_100000701028 [0,1,0,1,0,0|2,0,0]=4 19493 B12R1.1689 CCC(C)CNCC(=O)C1CC1 2230a_100020588543_100000746382 [0,1,0,1,0,0|2,0,0]=4 19494 B12R1.1689 CCC(C)COCC(=O)C1CC1 34a_100000686663_100000748023 [0,1,0,1,0,0|2,0,0]=4 19495 B12R1.1689 CCC(C)CSCC(=O)C1CC1 62a_100000746382_100000748023 [0,1,0,1,0,0|2,0,0]=4 19496 B12R1.1689 CCC(C)CSCC(=O)C1CC1 62a_100000748023_100000746382 [0,1,0,1,0,0|2,0,0]=4 19497 B12R1.1689 CCC(C)NCOC(=O)C1CC1 2230a_100000209981_100000140896 [0,1,0,1,0,0|1,0,0]=3 19498 B12R1.1689 CCC(C)SCOC(=O)C1CC1 62a_100000140896_100000758301 [0,1,0,1,0,0|1,0,0]=3 19499 B12R1.1689 CCC(C)SCOC(=O)C1CC1 62a_100000758301_100000140896 [0,1,0,1,0,0|1,0,0]=3 19500 B12R1.1689 CCC(O)CNCC(=O)C1CC1 2230a_100011218483_100000746382 [0,1,0,1,0,0|2,0,0]=4 19501 B12R1.1689 CCC(O)CNNC(=O)C1CC1 22a_100015206393_100000210395 [0,1,0,1,0,0|2,0,0]=4 19502 B12R1.1689 CCC(O)COCC(=O)C1CC1 34a_100000686663_100011218378 [0,1,0,1,0,0|2,0,0]=4 19503 B12R1.1689 CCC(O)CSCC(=O)C1CC1 62a_100000746382_100011218378 [0,1,0,1,0,0|2,0,0]=4 19504 B12R1.1689 CCC(O)CSCC(=O)C1CC1 62a_100011218378_100000746382 [0,1,0,1,0,0|2,0,0]=4 19505 B12R1.1689 CCN(C)CCCC(=O)C1CC1 1458a_100000210395_100015186262 [0,1,0,1,0,0|2,0,0]=4 19506 B12R1.1689 CC[C@H](C)COCC(=O)C1CC1 34a_100000686663_100009816398 [0,1,0,1,0,0|2,0,0]=4 19507 B12R1.1689 CC[C@H](C)COCC(=O)C1CC1 7a_100009816381_100000746382 [0,1,0,1,0,0|2,0,0]=4 19508 B12R1.1689 CC[C@H](C)CSCC(=O)C1CC1 62a_100000746382_100009816398 [0,1,0,1,0,0|2,0,0]=4 19509 B12R1.1689 CC[C@H](C)CSCC(=O)C1CC1 62a_100009816398_100000746382 [0,1,0,1,0,0|2,0,0]=4 19510 B12R1.1689 COC(C)SCOC(=O)C1CC1 62a_100000140896_100009879195 [0,1,0,1,0,0|2,0,0]=4 19511 B12R1.1689 COC(C)SCOC(=O)C1CC1 62a_100009879195_100000140896 [0,1,0,1,0,0|2,0,0]=4 19512 B12R1.1689 C[C@H](CO)NCOC(=O)C1CC1 2230a_100000737577_100000140896 [0,1,0,1,0,0|2,0,0]=4 19513 B12R1.1689 C[C@H](CO)SCOC(=O)C1CC1 62a_100000140896_100016084084 [0,1,0,1,0,0|2,0,0]=4 19514 B12R1.1689 C[C@H](CO)SCOC(=O)C1CC1 62a_100016084084_100000140896 [0,1,0,1,0,0|2,0,0]=4 19515 B12R1.87 CCC1C(=O)NCCN1C(C)C 2230a_100000187962_100000210206 [0,1,0,1,0,0|2,0,0]=4 19516 B12R1.87 CCC1C(=O)NCCN1C(C)C 269982a_100000187962_100000210206 [0,1,0,1,0,0|2,0,0]=4 19517 B12R1.87 CCC1C(=O)NCCN1C(C)C 34a_100000187962_100000210206 [0,1,0,1,0,0|2,0,0]=4 19518 B12R1.130 CC(Br)CCOC1CCCC1=O 34a_100009893172_100000709159 [0,1,0,1,0,0|2,0,0]=4 19519 B12R1.130 CC(C)CCOC1CCCC1=O 34a_100000210254_100000709159 [0,1,0,1,0,0|2,0,0]=4 19520 B12R1.130 CC(C)CCOC1CCCC1=O 34a_200000719330_100000210312 [0,1,0,1,0,0|2,0,0]=4 19521 B12R1.130 CC(C)CCOC1CCCC1=O 7a_100000210254_100000211823 [0,1,0,1,0,0|2,0,0]=4 19522 B12R1.130 CC(C)CCSC1CCCC1=O 62a_100000210312_100000211823 [0,1,0,1,0,0|2,0,0]=4 19523 B12R1.130 CC(C)CCSC1CCCC1=O 62a_100000211823_100000210312 [0,1,0,1,0,0|2,0,0]=4 19524 B12R1.130 CC(C)CSCN1CCCC1=O 62a_100000026320_100000210760 [0,1,0,1,0,0|2,0,0]=4 19525 B12R1.130 CC(C)CSCN1CCCC1=O 62a_100000210624_100000026320 [0,1,0,1,0,0|2,0,0]=4 19526 B12R1.130 CC(C)NCCN1CCCC1=O 2230a_100011200922_100000210206 [0,1,0,1,0,0|2,0,0]=4 19527 B12R1.130 CC(C)NCCN1CCCC1=O 2230a_100138425928_100000739059 [0,1,0,1,0,0|2,0,0]=4 19528 B12R1.130 CC(C)NCCN1CCCC1=O 34a_100138425928_100000739059 [0,1,0,1,0,0|2,0,0]=4 19529 B12R1.130 CC(C)OCCN1CCCC1=O 34a_100000211209_100000210206 [0,1,0,1,0,0|2,0,0]=4 19530 B12R1.130 CC(C)OCCN1CCCC1=O 34a_100000212225_100000739059 [0,1,0,1,0,0|2,0,0]=4 19531 B12R1.130 CC(C)OCCN1CCCC1=O 7a_100000211209_100000210206 [0,1,0,1,0,0|2,0,0]=4 19532 B12R1.130 CC(C)SCCN1CCCC1=O 62a_100000210206_100000739059 [0,1,0,1,0,0|2,0,0]=4 19533 B12R1.130 CC(C)SCCN1CCCC1=O 62a_100000739059_100000210206 [0,1,0,1,0,0|2,0,0]=4 19534 B12R1.130 CC(O)CCNC1CCCC1=O 2230a_200000755665_100000211823 [0,1,0,1,0,0|2,0,0]=4 19535 B12R1.130 CC(O)CCOC1CCCC1=O 34a_200000719330_100012276601 [0,1,0,1,0,0|2,0,0]=4 19536 B12R1.130 CC(O)CCSC1CCCC1=O 62a_100000211823_100012276601 [0,1,0,1,0,0|2,0,0]=4 19537 B12R1.130 CC(O)CCSC1CCCC1=O 62a_100012276601_100000211823 [0,1,0,1,0,0|2,0,0]=4 19538 B12R1.130 CC(O)CSCN1CCCC1=O 62a_100000026320_100011218427 [0,1,0,1,0,0|2,0,0]=4 19539 B12R1.130 CC(O)CSCN1CCCC1=O 62a_100011218427_100000026320 [0,1,0,1,0,0|2,0,0]=4 19540 B12R1.130 C[C@@H](N)CCOC1CCCC1=O 34a_100000706166_100000709159 [0,1,0,1,0,0|2,0,0]=4 19541 B12R1.130 C[C@@H](O)CSCN1CCCC1=O 62a_100000026320_100009817552 [0,1,0,1,0,0|2,0,0]=4 19542 B12R1.130 C[C@@H](O)CSCN1CCCC1=O 62a_100009817552_100000026320 [0,1,0,1,0,0|2,0,0]=4 19543 B12R1.226 CC(C)COC1CCCC(=O)C1 34a_100012613340_100000210624 [0,1,0,1,0,0|2,0,0]=4 19544 B12R1.226 CC(C)OCC1CCCC(=O)N1 34a_200000102386_100000210206 [0,1,0,1,0,0|2,0,0]=4 19545 B12R1.226 CC(O)COC1CCCC(=O)C1 34a_100012613340_100011218427 [0,1,0,1,0,0|2,0,0]=4 19546 B12R1.226 C[C@@H](O)COC1CCCC(=O)C1 34a_100012613340_100009817552 [0,1,0,1,0,0|2,0,0]=4 19547 B12R1.255 CC(C)CCCOC1CCCC1 34a_100000210269_100011214892 [0,1,0,1,0,0|1,0,1]=4 19548 B12R1.255 CC(C)CCCOC1CCCC1 34a_100000210774_100000179811 [0,1,0,1,0,0|1,0,1]=4 19549 B12R1.255 CC(C)CCCOC1CCCC1 7a_100000210269_100011214892 [0,1,0,1,0,0|1,0,1]=4 19550 B12R1.255 CC(C)CCCOC1CCCC1 7a_100000210774_100000179811 [0,1,0,1,0,0|1,0,1]=4 19551 B12R1.255 CC(C)CCCOC1CCCO1 34a_100000085407_100011214892 [0,1,0,1,0,0|0,0,2]=4 19552 B12R1.255 CC(O)CCCOC1CCCC1 34a_100000210269_200000718107 [0,1,0,1,0,0|1,0,1]=4 19553 B12R1.255 CC(O)CCCOC1CCCC1 7a_100000210269_200000718107 [0,1,0,1,0,0|1,0,1]=4 19554 B12R1.255 CC(O)CCCOC1CCCO1 34a_100000085407_200000718107 [0,1,0,1,0,0|0,0,2]=4 19555 B12R1.317 CC1(CCCN1C(=O)CCO)C 240690a_100000761399_100011216618 [0,1,0,1,0,0|2,0,0]=4 19556 B12R1.317 CCCC(=O)N1CCCC1(C)C 11a_100000761399_100000211992 [0,1,0,1,0,0|1,0,0]=3 19557 B12R1.317 CCCC(=O)N1CCCC1(C)C 1626a_100000761399_100000211992 [0,1,0,1,0,0|1,0,0]=3 19558 B12R1.317 CCCC(=O)N1CCCC1(C)C 240690a_100000761399_100000211992 [0,1,0,1,0,0|1,0,0]=3 19559 B12R1.317 CCCC(=O)N1CCCC1(C)C 527a_100000761399_100000211992 [0,1,0,1,0,0|1,0,0]=3 19560 B12R1.317 CCCC(=O)N1CCSC1(C)C 11a_100011217261_100000211992 [0,1,0,1,0,0|2,0,0]=4 19561 B12R1.317 CCCC(=O)N1CCSC1(C)C 1626a_100011217261_100000211992 [0,1,0,1,0,0|2,0,0]=4 19562 B12R1.317 CCCC(=O)N1CCSC1(C)C 240690a_100011217261_100000211992 [0,1,0,1,0,0|2,0,0]=4 19563 B12R1.317 CCCC(=O)N1CCSC1(C)C 527a_100011217261_100000211992 [0,1,0,1,0,0|2,0,0]=4 19564 B12R1.317 CCCC(=O)N1COCC1(C)C 1626a_100000043020_100000211992 [0,1,0,1,0,0|2,0,0]=4 19565 B12R1.317 CCCC(=O)N1COCC1(C)C 240690a_100000043020_100000211992 [0,1,0,1,0,0|2,0,0]=4 19566 B12R1.317 CCCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100000210303 [0,1,0,1,0,0|2,0,0]=4 19567 B12R1.317 CCNC(=O)N1CCCC1(C)C 2708a_100015525214_100000761399 [0,1,0,1,0,0|2,0,0]=4 19568 B12R1.317 CCNC(=O)N1CCCC1(C)C 273464a_100015525214_100000761399 [0,1,0,1,0,0|2,0,0]=4 19569 B12R1.317 COCC(=O)N1CCCC1(C)C 11a_100000761399_100000210968 [0,1,0,1,0,0|2,0,0]=4 19570 B12R1.317 COCC(=O)N1CCCC1(C)C 1626a_100000761399_100000210968 [0,1,0,1,0,0|2,0,0]=4 19571 B12R1.317 COCC(=O)N1CCCC1(C)C 240690a_100000761399_100000210968 [0,1,0,1,0,0|2,0,0]=4 19572 B12R1.317 COCC(=O)N1CCCC1(C)C 527a_100000761399_100000210968 [0,1,0,1,0,0|2,0,0]=4 19573 B12R1.317 CSCC(=O)N1CCCC1(C)C 11a_100000761399_100000184570 [0,1,0,1,0,0|2,0,0]=4 19574 B12R1.317 CSCC(=O)N1CCCC1(C)C 1626a_100000761399_100000184570 [0,1,0,1,0,0|2,0,0]=4 19575 B12R1.317 CSCC(=O)N1CCCC1(C)C 240690a_100000761399_100000184570 [0,1,0,1,0,0|2,0,0]=4 19576 B12R1.317 CSCC(=O)N1CCCC1(C)C 527a_100000761399_100000184570 [0,1,0,1,0,0|2,0,0]=4 19577 B12R1.1356 C=C(C)COCOC(=O)C1CC1 34a_100000210245_100000140896 [0,1,0,1,0,0|1,0,1]=4 19578 B12R1.1356 C=C(C)CSCOC(=O)C1CC1 62a_100000140896_100000211660 [0,1,0,1,0,0|1,0,1]=4 19579 B12R1.1356 C=C(C)CSCOC(=O)C1CC1 62a_100000748629_100000140896 [0,1,0,1,0,0|1,0,1]=4 19580 B12R1.1356 CC(=O)CCCCC(=O)C1CC1 1458a_100000210395_100000735457 [0,1,0,1,0,0|1,0,1]=4 19581 B12R1.1356 CC(=O)CCCNC(=O)C1CC1 1458a_100000194788_200000210301 [0,1,0,1,0,0|1,0,1]=4 19582 B12R1.1356 CC(=O)COCOC(=O)C1CC1 34a_100000211253_100000140896 [0,1,0,1,0,0|1,0,1]=4 19583 B12R1.1356 CC(Br)CCOCC(=O)C1CC1 34a_100009893172_100000746382 [0,1,0,1,0,0|2,0,0]=4 19584 B12R1.1356 CC(Br)COCOC(=O)C1CC1 34a_100012180447_100000140896 [0,1,0,1,0,0|1,0,0]=3 19585 B12R1.1356 CC(C)CCCCC(=O)C1CC1 1458a_100000210395_100011216152 [0,1,0,1,0,0|1,0,0]=3 19586 B12R1.1356 CC(C)CCCCC(=O)C1CO1 1458a_100000701028_100011216152 [0,1,0,1,0,0|2,0,0]=4 19587 B12R1.1356 CC(C)CCCNC(=O)C1CC1 11a_200000737386_100000210395 [0,1,0,1,0,0|1,0,0]=3 19588 B12R1.1356 CC(C)CCCNC(=O)C1CC1 1626a_200000737386_100000210395 [0,1,0,1,0,0|1,0,0]=3 19589 B12R1.1356 CC(C)CCCNC(=O)C1CC1 240690a_200000737386_100000210395 [0,1,0,1,0,0|1,0,0]=3 19590 B12R1.1356 CC(C)CCCNC(=O)C1CC1 527a_200000737386_100000210395 [0,1,0,1,0,0|1,0,0]=3 19591 B12R1.1356 CC(C)CCCNC(=O)C1CO1 11a_200000737386_100000701028 [0,1,0,1,0,0|2,0,0]=4 19592 B12R1.1356 CC(C)CCCNC(=O)C1CO1 1626a_200000737386_100000701028 [0,1,0,1,0,0|2,0,0]=4 19593 B12R1.1356 CC(C)CCCNC(=O)C1CO1 240690a_200000737386_100000701028 [0,1,0,1,0,0|2,0,0]=4 19594 B12R1.1356 CC(C)CCCNC(=O)C1CO1 527a_200000737386_100000701028 [0,1,0,1,0,0|2,0,0]=4 19595 B12R1.1356 CC(C)CCCOC(C)C1CC1 34a_100000744524_100011214892 [0,1,0,1,0,0|1,0,1]=4 19596 B12R1.1356 CC(C)CCCOC(C)C1CC1 7a_100000744524_100011214892 [0,1,0,1,0,0|1,0,1]=4 19597 B12R1.1356 CC(C)CCOCC(=O)C1CC1 34a_100000210254_100000746382 [0,1,0,1,0,0|2,0,0]=4 19598 B12R1.1356 CC(C)CCOCC(=O)C1CC1 34a_100000686663_100000210312 [0,1,0,1,0,0|2,0,0]=4 19599 B12R1.1356 CC(C)CCOCC(=O)C1CC1 7a_100000210254_100000746382 [0,1,0,1,0,0|2,0,0]=4 19600 B12R1.1356 CC(C)CCSCC(=O)C1CC1 62a_100000210312_100000746382 [0,1,0,1,0,0|2,0,0]=4 19601 B12R1.1356 CC(C)CCSCC(=O)C1CC1 62a_100000746382_100000210312 [0,1,0,1,0,0|2,0,0]=4 19602 B12R1.1356 CC(C)CNCOC(=O)C1CC1 2230a_100000210953_100000140896 [0,1,0,1,0,0|1,0,0]=3 19603 B12R1.1356 CC(C)CNCOC(=O)C1CC1 34a_100000210953_100000140896 [0,1,0,1,0,0|1,0,0]=3 19604 B12R1.1356 CC(C)COCOC(=O)C1CC1 34a_100000210257_100000140896 [0,1,0,1,0,0|1,0,0]=3 19605 B12R1.1356 CC(C)CSCOC(=O)C1CC1 62a_100000140896_100000210760 [0,1,0,1,0,0|1,0,0]=3 19606 B12R1.1356 CC(C)CSCOC(=O)C1CC1 62a_100000210624_100000140896 [0,1,0,1,0,0|1,0,0]=3 19607 B12R1.1356 CC(C)OCCNC(=O)C1CC1 11a_100000701111_100000210395 [0,1,0,1,0,0|2,0,0]=4 19608 B12R1.1356 CC(C)OCCNC(=O)C1CC1 1626a_100000701111_100000210395 [0,1,0,1,0,0|2,0,0]=4 19609 B12R1.1356 CC(C)OCCNC(=O)C1CC1 240690a_100000701111_100000210395 [0,1,0,1,0,0|2,0,0]=4 19610 B12R1.1356 CC(C)OCCNC(=O)C1CC1 527a_100000701111_100000210395 [0,1,0,1,0,0|2,0,0]=4 19611 B12R1.1356 CC(C)SCCNC(=O)C1CC1 11a_100000731138_100000210395 [0,1,0,1,0,0|2,0,0]=4 19612 B12R1.1356 CC(C)SCCNC(=O)C1CC1 1626a_100000731138_100000210395 [0,1,0,1,0,0|2,0,0]=4 19613 B12R1.1356 CC(C)SCCNC(=O)C1CC1 240690a_100000731138_100000210395 [0,1,0,1,0,0|2,0,0]=4 19614 B12R1.1356 CC(C)SCCNC(=O)C1CC1 527a_100000731138_100000210395 [0,1,0,1,0,0|2,0,0]=4 19615 B12R1.1356 CC(F)COCOC(=O)C1CC1 34a_100015925927_100000140896 [0,1,0,1,0,0|1,0,0]=3 19616 B12R1.1356 CC(O)CCCOC(C)C1CC1 34a_100000744524_200000718107 [0,1,0,1,0,0|1,0,1]=4 19617 B12R1.1356 CC(O)CCCOC(C)C1CC1 7a_100000744524_200000718107 [0,1,0,1,0,0|1,0,1]=4 19618 B12R1.1356 CC(O)CCNCC(=O)C1CC1 2230a_200000755665_100000746382 [0,1,0,1,0,0|2,0,0]=4 19619 B12R1.1356 CC(O)CCOCC(=O)C1CC1 34a_100000686663_100012276601 [0,1,0,1,0,0|2,0,0]=4 19620 B12R1.1356 CC(O)CCSCC(=O)C1CC1 62a_100000746382_100012276601 [0,1,0,1,0,0|2,0,0]=4 19621 B12R1.1356 CC(O)CCSCC(=O)C1CC1 62a_100012276601_100000746382 [0,1,0,1,0,0|2,0,0]=4 19622 B12R1.1356 CC(O)CNCOC(=O)C1CC1 2230a_100000210904_100000140896 [0,1,0,1,0,0|1,0,0]=3 19623 B12R1.1356 CC(O)CNCOC(=O)C1CC1 34a_100000210904_100000140896 [0,1,0,1,0,0|1,0,0]=3 19624 B12R1.1356 CC(O)CSCOC(=O)C1CC1 62a_100000140896_100011218427 [0,1,0,1,0,0|1,0,0]=3 19625 B12R1.1356 CC(O)CSCOC(=O)C1CC1 62a_100011218427_100000140896 [0,1,0,1,0,0|1,0,0]=3 19626 B12R1.1356 CN(C)CCCNC(=O)C1CC1 240690a_102531767803_100000210395 [0,1,0,1,0,0|2,0,0]=4 19627 B12R1.1356 CN(C)CCCNC(=O)C1CC1 527a_102531767803_100000210395 [0,1,0,1,0,0|2,0,0]=4 19628 B12R1.1356 CS(=O)CCCNC(=O)C1CC1 11a_200000753449_100000210395 [0,1,0,1,0,0|2,0,0]=4 19629 B12R1.1356 CS(=O)CCCNC(=O)C1CC1 240690a_200000753449_100000210395 [0,1,0,1,0,0|2,0,0]=4 19630 B12R1.1356 CS(=O)CCCNC(=O)C1CC1 527a_200000753449_100000210395 [0,1,0,1,0,0|2,0,0]=4 19631 B12R1.1356 C[C@@H](Cl)COCOC(=O)C1CC1 34a_100016084084_100000140896 [0,1,0,1,0,0|1,0,0]=3 19632 B12R1.1356 C[C@@H](N)CCOCC(=O)C1CC1 34a_100000706166_100000746382 [0,1,0,1,0,0|2,0,0]=4 19633 B12R1.1356 C[C@@H](N)COCOC(=O)C1CC1 34a_100000737577_100000140896 [0,1,0,1,0,0|1,0,0]=3 19634 B12R1.1356 C[C@@H](O)CSCOC(=O)C1CC1 62a_100000140896_100009817552 [0,1,0,1,0,0|1,0,0]=3 19635 B12R1.1356 C[C@@H](O)CSCOC(=O)C1CC1 62a_100009817552_100000140896 [0,1,0,1,0,0|1,0,0]=3 19636 B12R1.1356 O=C(OCNCC(F)F)C1CC1 34a_100000765723_100000140896 [0,1,0,1,0,0|2,0,0]=4 19637 B12R1.1356 O=C(OCOCC(F)F)C1CC1 34a_100000743014_100000140896 [0,1,0,1,0,0|2,0,0]=4 19638 B12R1.1356 O=C(OCSCC(F)F)C1CC1 62a_100000140896_100011934356 [0,1,0,1,0,0|2,0,0]=4 19639 B12R1.1356 O=C(OCSCC(F)F)C1CC1 62a_100011934356_100000140896 [0,1,0,1,0,0|2,0,0]=4 19640 B12R1.1356 [13CH3]C(=O)CCCNC(=O)C1CC1 1458a_100000194788_200025704644 [0,1,0,1,0,0|1,0,1]=4 19641 B12R1.1572 CCCC(C)OCC1CC1(C)C 34a_100000728257_100000766640 [0,1,0,1,0,0|1,0,1]=4 19642 B12R1.1572 CCCC(C)OCC1CC1(C)C 7a_100000728257_100000766640 [0,1,0,1,0,0|1,0,1]=4 19643 B12R1.2795 CC(C)CCCOC1(CCC1)C 34a_100000759064_100011214892 [0,1,0,1,0,0|1,0,1]=4 19644 B12R1.2795 CC(C)CCCOC1(CCC1)C 7a_100000759064_100011214892 [0,1,0,1,0,0|1,0,1]=4 19645 B12R1.2795 CC(O)CCCOC1(CCC1)C 34a_100000759064_200000718107 [0,1,0,1,0,0|1,0,1]=4 19646 B12R1.2795 CC(O)CCCOC1(CCC1)C 7a_100000759064_200000718107 [0,1,0,1,0,0|1,0,1]=4 19647 B12R1.512 CCCS(=O)(=O)N1CCC[C@@H]1C 270084a_100020605311_100000211391 [0,1,0,1,0,0|2,0,0]=4 19648 B12R1.512 CCCS(=O)(=O)N1CCC[C@@H]1C 274078a_100020605311_100000211391 [0,1,0,1,0,0|2,0,0]=4 19649 B12R1.512 CCCS(=O)(=O)N1CCC[C@H]1C 270084a_100015189458_100000211391 [0,1,0,1,0,0|2,0,0]=4 19650 B12R1.512 CCCS(=O)(=O)N1CCC[C@H]1C 274078a_100015189458_100000211391 [0,1,0,1,0,0|2,0,0]=4 19651 B12R1.512 CCCS(=O)(=O)N1CCC[C@H]1C 40a_100015189458_100000054278 [0,1,0,1,0,0|2,0,0]=4 19652 B12R1.515 CCCC(C)(C)OCC1CCC1 7a_100000748436_100000763275 [0,1,0,1,0,0|1,0,1]=4 19653 B12R1.515 CCCS(=O)(=O)NCC1CCC1 270084a_100000738700_100000211391 [0,1,0,1,0,0|2,0,0]=4 19654 B12R1.515 CCCS(=O)(=O)NCC1CCC1 274078a_100000738700_100000211391 [0,1,0,1,0,0|2,0,0]=4 19655 B12R1.515 CCCS(=O)(=O)NCC1CCC1 40a_100000738700_100000054278 [0,1,0,1,0,0|2,0,0]=4 19656 B12R1.516 CCCC(C)(C)OCCC1CC1 7a_100000748436_100000764125 [0,1,0,1,0,0|1,0,1]=4 19657 B12R1.516 CCCS(=O)(=O)NCCC1CC1 270084a_100000764129_100000211391 [0,1,0,1,0,0|2,0,0]=4 19658 B12R1.516 CCCS(=O)(=O)NCCC1CC1 274078a_100000764129_100000211391 [0,1,0,1,0,0|2,0,0]=4 19659 B12R1.516 CCCS(=O)(=O)NCCC1CC1 40a_100000764129_100000054278 [0,1,0,1,0,0|2,0,0]=4 19660 B12R1.1422 CCCCCNS(=O)(=O)C1CC1 270084a_100000209983_100000750908 [0,1,0,1,0,0|2,0,0]=4 19661 B12R1.1422 CCCCCNS(=O)(=O)C1CC1 274078a_100000209983_100000750908 [0,1,0,1,0,0|2,0,0]=4 19662 B12R1.1503 CCCC(C)(C)OC1CCCC1 7a_100000748436_100000179811 [0,1,0,1,0,0|1,0,1]=4 19663 B12R1.1503 CCCS(=O)(=O)NC1CCCC1 270084a_100000211070_100000211391 [0,1,0,1,0,0|2,0,0]=4 19664 B12R1.1503 CCCS(=O)(=O)NC1CCCC1 274078a_100000211070_100000211391 [0,1,0,1,0,0|2,0,0]=4 19665 B12R1.1503 CCCS(=O)(=O)NC1CCCC1 40a_100000211070_100000054278 [0,1,0,1,0,0|2,0,0]=4 19666 B12R2.10 O=C1CCCC1N2CCCC2 2230a_100000188435_100000211823 [0,0,0,2,0,0|2,0,0]=4 19667 B12R2.10 O=C1CCCC1N2CCCC2 269982a_100000188435_100000211823 [0,0,0,2,0,0|2,0,0]=4 19668 B12R2.20 CC1CC1COC2CCCC2 34a_100000744939_100000179811 [0,0,0,2,0,0|1,0,1]=4 19669 B12R2.20 CC1CC1COC2CCCC2 7a_100000744939_100000179811 [0,0,0,2,0,0|1,0,1]=4 19670 B12R2.98 C1CCC(C1)OC2CCCC2 34a_100000210269_100000179811 [0,0,0,2,0,0|1,0,1]=4 19671 B12R2.98 C1CCC(C1)OC2CCCC2 7a_100000210269_100000179811 [0,0,0,2,0,0|1,0,1]=4 19672 B12R2.98 C1CCC(C1)OC2CCCO2 34a_100000085407_100000179811 [0,0,0,2,0,0|0,0,2]=4 19673 B12R2.2056 C1CC(C1)COC2CCCC2 34a_100000210269_100000763275 [0,0,0,2,0,0|1,0,1]=4 19674 B12R2.2056 C1CC(C1)COC2CCCC2 34a_100000760304_100000179811 [0,0,0,2,0,0|1,0,1]=4 19675 B12R2.2056 C1CC(C1)COC2CCCC2 7a_100000210269_100000763275 [0,0,0,2,0,0|1,0,1]=4 19676 B12R2.2056 C1CC(C1)COC2CCCO2 34a_100000085407_100000763275 [0,0,0,2,0,0|0,0,2]=4 19677 B12R2.2383 C1CCC(C1)OCCC2CC2 34a_100000210269_100000694398 [0,0,0,2,0,0|1,0,1]=4 19678 B12R2.2383 C1CCC(C1)OCCC2CC2 34a_100000754188_100000179811 [0,0,0,2,0,0|1,0,1]=4 19679 B12R2.2383 C1CCC(C1)OCCC2CC2 7a_100000210269_100000764125 [0,0,0,2,0,0|1,0,1]=4 19680 B12R2.2383 C1CCC(C1)OCCC2CC2 7a_100000754188_100000179811 [0,0,0,2,0,0|1,0,1]=4 19681 B12R2.2383 C1COC(C1)OCCC2CC2 34a_100000085407_100000694398 [0,0,0,2,0,0|0,0,2]=4 19682 B12R2.1479 CCCC(=O)C1C2C1COC2 1458a_100000138910_100000210303 [0,0,0,2,0,0|2,0,0]=4 19683 B12R2.1488 CCCC(=O)N1CC2CC2C1 11a_100000741873_100000211992 [0,0,0,2,0,0|1,0,0]=3 19684 B12R2.1488 CCCC(=O)N1CC2CC2C1 1626a_100000741873_100000211992 [0,0,0,2,0,0|1,0,0]=3 19685 B12R2.1488 CCCC(=O)N1CC2CC2C1 240690a_100000741873_100000211992 [0,0,0,2,0,0|1,0,0]=3 19686 B12R2.1488 CCCC(=O)N1CC2CC2C1 527a_100000741873_100000211992 [0,0,0,2,0,0|1,0,0]=3 19687 B12R2.1488 CCNC(=O)N1CC2CC2C1 2708a_100015525214_100000741873 [0,0,0,2,0,0|2,0,0]=4 19688 B12R2.1488 CCNC(=O)N1CC2CC2C1 273464a_100015525214_100000741873 [0,0,0,2,0,0|2,0,0]=4 19689 B12R2.1488 COCC(=O)N1CC2CC2C1 11a_100000741873_100000210968 [0,0,0,2,0,0|2,0,0]=4 19690 B12R2.1488 COCC(=O)N1CC2CC2C1 1626a_100000741873_100000210968 [0,0,0,2,0,0|2,0,0]=4 19691 B12R2.1488 COCC(=O)N1CC2CC2C1 240690a_100000741873_100000210968 [0,0,0,2,0,0|2,0,0]=4 19692 B12R2.1488 COCC(=O)N1CC2CC2C1 527a_100000741873_100000210968 [0,0,0,2,0,0|2,0,0]=4 19693 B12R2.1488 CSCC(=O)N1CC2CC2C1 11a_100000741873_100000184570 [0,0,0,2,0,0|2,0,0]=4 19694 B12R2.1488 CSCC(=O)N1CC2CC2C1 1626a_100000741873_100000184570 [0,0,0,2,0,0|2,0,0]=4 19695 B12R2.1488 CSCC(=O)N1CC2CC2C1 240690a_100000741873_100000184570 [0,0,0,2,0,0|2,0,0]=4 19696 B12R2.1488 CSCC(=O)N1CC2CC2C1 527a_100000741873_100000184570 [0,0,0,2,0,0|2,0,0]=4 19697 B12R2.1488 O=C(CCO)N1CC2CC2C1 240690a_100000741873_100011216618 [0,0,0,2,0,0|2,0,0]=4 19698 B12R2.2075 O=C(C1CC1)C2CCCOC2 1458a_100000210395_100000693364 [0,0,0,2,0,0|2,0,0]=4 19699 B12R2.2075 O=C(C1CC1)N2CCCOC2 11a_100000131196_100000210395 [0,0,0,2,0,0|2,0,0]=4 19700 B12R2.2075 O=C(C1CC1)N2CCCOC2 240690a_100000131196_100000210395 [0,0,0,2,0,0|2,0,0]=4 19701 B12R2.2075 O=C(C1CC1)N2CCOCC2 11a_100015191051_100000210395 [0,0,0,2,0,0|2,0,0]=4 19702 B12R2.2075 O=C(C1CC1)N2CCOCC2 1626a_100015191051_100000210395 [0,0,0,2,0,0|2,0,0]=4 19703 B12R2.2075 O=C(C1CC1)N2CCOCC2 240690a_100015191051_100000210395 [0,0,0,2,0,0|2,0,0]=4 19704 B12R2.2075 O=C(C1CC1)N2CCOCC2 527a_100015191051_100000210395 [0,0,0,2,0,0|2,0,0]=4 19705 B12R2.2075 O=C(C1CC1)N2CCSCC2 11a_100000737611_100000210395 [0,0,0,2,0,0|2,0,0]=4 19706 B12R2.2075 O=C(C1CC1)N2CCSCC2 240690a_100000737611_100000210395 [0,0,0,2,0,0|2,0,0]=4 19707 B12R2.2075 O=C(C1CC1)N2CCSCC2 527a_100000737611_100000210395 [0,0,0,2,0,0|2,0,0]=4 19708 B12R2.2075 O=C(C1CCCCC1)C2CC2 1458a_100000210395_100000210327 [0,0,0,2,0,0|1,0,0]=3 19709 B12R2.2075 O=C(C1CCCCC1)C2CO2 1458a_100000701028_100000210327 [0,0,0,2,0,0|2,0,0]=4 19710 B12R2.2075 O=C(C1CCOCC1)C2CC2 1458a_100000210395_100011324220 [0,0,0,2,0,0|2,0,0]=4 19711 B12R2.612 CN1CCN2C(=O)OCC2C1 2230a_100000689011_200000210301 [0,0,0,2,0,0|2,0,0]=4 19712 B12R2.612 CN1CCN2C(=O)OCC2C1 269982a_100000689011_200000210301 [0,0,0,2,0,0|2,0,0]=4 19713 B12R2.612 [13CH3]N1CCN2C(=O)OCC2C1 2230a_100000689011_200025704644 [0,0,0,2,0,0|2,0,0]=4 19714 B12R2.612 [13CH3]N1CCN2C(=O)OCC2C1 269982a_100000689011_200025704644 [0,0,0,2,0,0|2,0,0]=4 19715 B12R2.1286 O=C1CCCC(C1)OC2CC2 34a_100012613340_100000211595 [0,0,0,2,0,0|2,0,0]=4 19716 B12R2.1423 CC(OC1CCCC1)C2CC2 34a_100000744524_100000179811 [0,0,0,2,0,0|1,0,1]=4 19717 B12R2.1423 CC(OC1CCCC1)C2CC2 7a_100000744524_100000179811 [0,0,0,2,0,0|1,0,1]=4 19718 B12R2.1423 O=C(CC1CCCC1)C2CC2 1458a_100000210395_100000740388 [0,0,0,2,0,0|1,0,0]=3 19719 B12R2.1423 O=C(CC1CCCC1)C2CO2 1458a_100000701028_100000740388 [0,0,0,2,0,0|2,0,0]=4 19720 B12R2.1423 O=C(CC1CCCO1)C2CC2 1458a_100000210395_100000203698 [0,0,0,2,0,0|2,0,0]=4 19721 B12R2.1423 O=C(CC1CCOC1)C2CC2 1458a_100000210395_100000702531 [0,0,0,2,0,0|2,0,0]=4 19722 B12R2.1423 O=C(CN1CCCC1)C2CC2 2230a_100000188435_100000746382 [0,0,0,2,0,0|2,0,0]=4 19723 B12R2.1423 O=C(CN1CCCC1)C2CC2 269982a_100000188435_100000746382 [0,0,0,2,0,0|2,0,0]=4 19724 B12R2.1423 O=C(NC1CCCC1)C2CC2 11a_100000211070_100000210395 [0,0,0,2,0,0|1,0,0]=3 19725 B12R2.1423 O=C(NC1CCCC1)C2CC2 1626a_100000211070_100000210395 [0,0,0,2,0,0|1,0,0]=3 19726 B12R2.1423 O=C(NC1CCCC1)C2CC2 240690a_100000211070_100000210395 [0,0,0,2,0,0|1,0,0]=3 19727 B12R2.1423 O=C(NC1CCCC1)C2CC2 527a_100000211070_100000210395 [0,0,0,2,0,0|1,0,0]=3 19728 B12R2.1423 O=C(NC1CCCC1)C2CO2 11a_100000211070_100000701028 [0,0,0,2,0,0|2,0,0]=4 19729 B12R2.1423 O=C(NC1CCCC1)C2CO2 1626a_100000211070_100000701028 [0,0,0,2,0,0|2,0,0]=4 19730 B12R2.1423 O=C(NC1CCCC1)C2CO2 240690a_100000211070_100000701028 [0,0,0,2,0,0|2,0,0]=4 19731 B12R2.1423 O=C(NC1CCCC1)C2CO2 527a_100000211070_100000701028 [0,0,0,2,0,0|2,0,0]=4 19732 B12R2.1423 O=C(N[C@@H]1CCOC1)C2CC2 240690a_200015188469_100000210395 [0,0,0,2,0,0|2,0,0]=4 19733 B12R2.1423 O=C(N[C@@H]1CCOC1)C2CC2 527a_200015188469_100000210395 [0,0,0,2,0,0|2,0,0]=4 19734 B12R2.1423 O=C(N[C@H]1CCOC1)C2CC2 11a_100015188467_100000210395 [0,0,0,2,0,0|2,0,0]=4 19735 B12R2.1423 O=C(N[C@H]1CCOC1)C2CC2 1626a_100015188467_100000210395 [0,0,0,2,0,0|2,0,0]=4 19736 B12R2.1423 O=C(N[C@H]1CCOC1)C2CC2 240690a_100015188467_100000210395 [0,0,0,2,0,0|2,0,0]=4 19737 B12R2.1423 O=C(N[C@H]1CCOC1)C2CC2 527a_100015188467_100000210395 [0,0,0,2,0,0|2,0,0]=4 19738 B12R2.2358 CC1(CCC1)OC2CCCC2 34a_100000759064_100000179811 [0,0,0,2,0,0|1,0,1]=4 19739 B12R2.2358 CC1(CCC1)OC2CCCC2 7a_100000759064_100000179811 [0,0,0,2,0,0|1,0,1]=4 19740 B12R2.3429 CCCC(=O)C1CC12CCC2 1458a_100000687150_100000210303 [0,0,0,2,0,0|1,0,0]=3 19741 B12R2.3429 CCNC(=O)C1CC12CCC2 11a_100015525214_100000687150 [0,0,0,2,0,0|2,0,0]=4 19742 B12R2.3429 CCNC(=O)C1CC12CCC2 240690a_100015525214_100000687150 [0,0,0,2,0,0|2,0,0]=4 19743 B12R2.3429 CCNC(=O)C1CC12CCC2 527a_100015525214_100000687150 [0,0,0,2,0,0|2,0,0]=4 19744 B12R2.3429 O=C(CCF)C1CC12CCC2 1458a_100000687150_100011217306 [0,0,0,2,0,0|2,0,0]=4 19745 B12R2.3429 O=C(CCO)C1CC12CCC2 1458a_100000687150_100000211926 [0,0,0,2,0,0|2,0,0]=4 19746 B12R2.110 CC1CCN1C2CCCC2=O 269982a_100000755817_100000211823 [0,0,0,2,0,0|2,0,0]=4 19747 B12R2.110 CC1CCN1C2CCCC2=O 34a_100000755817_100000709159 [0,0,0,2,0,0|2,0,0]=4 19748 B12R2.466 O=C1CCCC1NCC2CC2 2230a_100000735609_100000211823 [0,0,0,2,0,0|2,0,0]=4 19749 B12R2.466 O=C1CCCC1NCC2CC2 34a_100000735609_100000709159 [0,0,0,2,0,0|2,0,0]=4 19750 B12R2.466 O=C1CCCC1OCC2CC2 34a_100000211283_100000709159 [0,0,0,2,0,0|2,0,0]=4 19751 B12R2.466 O=C1CCCC1OCC2CC2 34a_200000719330_100000742324 [0,0,0,2,0,0|2,0,0]=4 19752 B12R2.466 O=C1CCCC1SCC2CC2 62a_100000211823_100000742324 [0,0,0,2,0,0|2,0,0]=4 19753 B12R2.466 O=C1CCCC1SCC2CC2 62a_100000756562_100000211823 [0,0,0,2,0,0|2,0,0]=4 19754 B12R2.466 O=C1CCCN1CSC2CC2 62a_100000026320_100000211595 [0,0,0,2,0,0|2,0,0]=4 19755 B12R2.1114 O=C1CCCC1NC2CCC2 2230a_100000749019_100000211823 [0,0,0,2,0,0|2,0,0]=4 19756 B12R2.1114 O=C1CCCC1NC2CCC2 34a_100000749019_100000709159 [0,0,0,2,0,0|2,0,0]=4 19757 B12R2.1114 O=C1CCCC1OC2CCC2 34a_100000748187_100000709159 [0,0,0,2,0,0|2,0,0]=4 19758 B12R2.1114 O=C1CCCC1OC2CCC2 34a_200000719330_100000749161 [0,0,0,2,0,0|2,0,0]=4 19759 B12R2.1114 O=C1CCCC1SC2CCC2 62a_100000211823_100000749161 [0,0,0,2,0,0|2,0,0]=4 19760 B12R2.1114 O=C1CCCN1CN2CCC2 269982a_100000754969_100000026320 [0,0,0,2,0,0|2,0,0]=4 19761 B12R2.2372 CC1SCCN1C(=O)C2CC2 11a_200011216479_100000210395 [0,0,0,2,0,0|2,0,0]=4 19762 B12R2.2372 CC1SCCN1C(=O)C2CC2 1626a_200011216479_100000210395 [0,0,0,2,0,0|2,0,0]=4 19763 B12R2.2372 CC1SCCN1C(=O)C2CC2 240690a_200011216479_100000210395 [0,0,0,2,0,0|2,0,0]=4 19764 B12R2.2372 CC1SCCN1C(=O)C2CC2 527a_200011216479_100000210395 [0,0,0,2,0,0|2,0,0]=4 19765 B12R2.2372 C[C@@H]1CCCN1C(=O)C2CC2 11a_100015189458_100000210395 [0,0,0,2,0,0|1,0,0]=3 19766 B12R2.2372 C[C@@H]1CCCN1C(=O)C2CC2 240690a_100015189458_100000210395 [0,0,0,2,0,0|1,0,0]=3 19767 B12R2.2372 C[C@@H]1CCCN1C(=O)C2CC2 527a_100015189458_100000210395 [0,0,0,2,0,0|1,0,0]=3 19768 B12R2.2372 C[C@@H]1CCCN1C(=O)C2CO2 11a_100015189458_100000701028 [0,0,0,2,0,0|2,0,0]=4 19769 B12R2.2372 C[C@@H]1CCCN1C(=O)C2CO2 240690a_100015189458_100000701028 [0,0,0,2,0,0|2,0,0]=4 19770 B12R2.2372 C[C@@H]1CCCN1C(=O)C2CO2 527a_100015189458_100000701028 [0,0,0,2,0,0|2,0,0]=4 19771 B12R2.2372 C[C@H]1CCCN1C(=O)C2CC2 240690a_100020605311_100000210395 [0,0,0,2,0,0|1,0,0]=3 19772 B12R2.2372 C[C@H]1CCCN1C(=O)C2CC2 527a_100020605311_100000210395 [0,0,0,2,0,0|1,0,0]=3 19773 B12R2.2372 C[C@H]1CCCN1C(=O)C2CO2 240690a_100020605311_100000701028 [0,0,0,2,0,0|2,0,0]=4 19774 B12R2.2372 C[C@H]1CCCN1C(=O)C2CO2 527a_100020605311_100000701028 [0,0,0,2,0,0|2,0,0]=4 19775 B12R2.4795 CC(OCC1CCC1)C2CC2 34a_100000744524_100000763275 [0,0,0,2,0,0|1,0,1]=4 19776 B12R2.4795 CC(OCC1CCC1)C2CC2 7a_100000744524_100000763275 [0,0,0,2,0,0|1,0,1]=4 19777 B12R2.4795 O=C(CNC1CCC1)C2CC2 2230a_100000749019_100000746382 [0,0,0,2,0,0|2,0,0]=4 19778 B12R2.4795 O=C(CNC1CCC1)C2CC2 34a_100000749019_100000746382 [0,0,0,2,0,0|2,0,0]=4 19779 B12R2.4795 O=C(COC1CCC1)C2CC2 34a_100000686663_100000749161 [0,0,0,2,0,0|2,0,0]=4 19780 B12R2.4795 O=C(COC1CCC1)C2CC2 34a_100000748187_100000746382 [0,0,0,2,0,0|2,0,0]=4 19781 B12R2.4795 O=C(CSC1CCC1)C2CC2 62a_100000746382_100000749161 [0,0,0,2,0,0|2,0,0]=4 19782 B12R2.4795 O=C(NCC1CCC1)C2CC2 11a_100000738700_100000210395 [0,0,0,2,0,0|1,0,0]=3 19783 B12R2.4795 O=C(NCC1CCC1)C2CC2 1626a_100000738700_100000210395 [0,0,0,2,0,0|1,0,0]=3 19784 B12R2.4795 O=C(NCC1CCC1)C2CC2 240690a_100000738700_100000210395 [0,0,0,2,0,0|1,0,0]=3 19785 B12R2.4795 O=C(NCC1CCC1)C2CC2 527a_100000738700_100000210395 [0,0,0,2,0,0|1,0,0]=3 19786 B12R2.4795 O=C(NCC1CCC1)C2CO2 11a_100000738700_100000701028 [0,0,0,2,0,0|2,0,0]=4 19787 B12R2.4795 O=C(NCC1CCC1)C2CO2 1626a_100000738700_100000701028 [0,0,0,2,0,0|2,0,0]=4 19788 B12R2.4795 O=C(NCC1CCC1)C2CO2 240690a_100000738700_100000701028 [0,0,0,2,0,0|2,0,0]=4 19789 B12R2.4795 O=C(NCC1CCC1)C2CO2 527a_100000738700_100000701028 [0,0,0,2,0,0|2,0,0]=4 19790 B12R2.4795 O=C(NCC1COC1)C2CC2 11a_100015281925_100000210395 [0,0,0,2,0,0|2,0,0]=4 19791 B12R2.4795 O=C(NCC1COC1)C2CC2 1626a_100015281925_100000210395 [0,0,0,2,0,0|2,0,0]=4 19792 B12R2.4795 O=C(NCC1COC1)C2CC2 240690a_100015281925_100000210395 [0,0,0,2,0,0|2,0,0]=4 19793 B12R2.4795 O=C(NCC1COC1)C2CC2 527a_100015281925_100000210395 [0,0,0,2,0,0|2,0,0]=4 19794 B12R2.4795 O=C(NC[C@@H]1CCO1)C2CC2 11a_100020831831_100000210395 [0,0,0,2,0,0|2,0,0]=4 19795 B12R2.4795 O=C(NC[C@@H]1CCO1)C2CC2 1626a_100020831831_100000210395 [0,0,0,2,0,0|2,0,0]=4 19796 B12R2.4795 O=C(NC[C@@H]1CCO1)C2CC2 240690a_100020831831_100000210395 [0,0,0,2,0,0|2,0,0]=4 19797 B12R2.4795 O=C(NC[C@@H]1CCO1)C2CC2 527a_100020831831_100000210395 [0,0,0,2,0,0|2,0,0]=4 19798 B12R2.4795 O=C(NNC1CCC1)C2CC2 22a_100000736358_100000210395 [0,0,0,2,0,0|2,0,0]=4 19799 B12R2.4795 O=C(OCN1CCC1)C2CC2 269982a_100000754969_100000140896 [0,0,0,2,0,0|1,0,0]=3 19800 B12R2.5582 CC1(CCC1)OCC2CCC2 34a_100000759064_100000763275 [0,0,0,2,0,0|1,0,1]=4 19801 B12R2.5582 CC1(CCC1)OCC2CCC2 7a_100000759064_100000763275 [0,0,0,2,0,0|1,0,1]=4 19802 B12R2.4794 CC(OCCC1CC1)C2CC2 34a_100000744524_100000694398 [0,0,0,2,0,0|1,0,1]=4 19803 B12R2.4794 CC(OCCC1CC1)C2CC2 7a_100000744524_100000764125 [0,0,0,2,0,0|1,0,1]=4 19804 B12R2.4794 O=C(CCCC1CO1)C2CC2 1458a_100000210395_100000733510 [0,0,0,2,0,0|2,0,0]=4 19805 B12R2.4794 O=C(CNCC1CC1)C2CC2 2230a_100000735609_100000746382 [0,0,0,2,0,0|2,0,0]=4 19806 B12R2.4794 O=C(CNCC1CC1)C2CC2 34a_100000735609_100000746382 [0,0,0,2,0,0|2,0,0]=4 19807 B12R2.4794 O=C(COCC1CC1)C2CC2 34a_100000211283_100000746382 [0,0,0,2,0,0|2,0,0]=4 19808 B12R2.4794 O=C(COCC1CC1)C2CC2 34a_100000686663_100000742324 [0,0,0,2,0,0|2,0,0]=4 19809 B12R2.4794 O=C(CSCC1CC1)C2CC2 62a_100000746382_100000742324 [0,0,0,2,0,0|2,0,0]=4 19810 B12R2.4794 O=C(CSCC1CC1)C2CC2 62a_100000756562_100000746382 [0,0,0,2,0,0|2,0,0]=4 19811 B12R2.4794 O=C(NCCC1CC1)C2CC2 1626a_100000764129_100000210395 [0,0,0,2,0,0|1,0,0]=3 19812 B12R2.4794 O=C(NCCC1CC1)C2CC2 240690a_100000764129_100000210395 [0,0,0,2,0,0|1,0,0]=3 19813 B12R2.4794 O=C(NCCC1CC1)C2CC2 527a_100000764129_100000210395 [0,0,0,2,0,0|1,0,0]=3 19814 B12R2.4794 O=C(NCCC1CC1)C2CO2 1626a_100000764129_100000701028 [0,0,0,2,0,0|2,0,0]=4 19815 B12R2.4794 O=C(NCCC1CC1)C2CO2 240690a_100000764129_100000701028 [0,0,0,2,0,0|2,0,0]=4 19816 B12R2.4794 O=C(NCCC1CC1)C2CO2 527a_100000764129_100000701028 [0,0,0,2,0,0|2,0,0]=4 19817 B12R2.4794 O=C(NNCC1CC1)C2CC2 22a_100000736359_100000210395 [0,0,0,2,0,0|2,0,0]=4 19818 B12R2.4794 O=C(OCNC1CC1)C2CC2 34a_100000212008_100000140896 [0,0,0,2,0,0|1,0,0]=3 19819 B12R2.4794 O=C(OCSC1CC1)C2CC2 62a_100000140896_100000211595 [0,0,0,2,0,0|1,0,0]=3 19820 B12R2.5216 CC1(CCC1)OCCC2CC2 34a_100000759064_100000694398 [0,0,0,2,0,0|1,0,1]=4 19821 B12R2.5216 CC1(CCC1)OCCC2CC2 7a_100000759064_100000764125 [0,0,0,2,0,0|1,0,1]=4 19822 B12R2.1297 CC1CCN1CC(=O)C2CC2 269982a_100000755817_100000746382 [0,0,0,2,0,0|2,0,0]=4 19823 B12R2.1297 CC1CCN1CC(=O)C2CC2 34a_100000755817_100000746382 [0,0,0,2,0,0|2,0,0]=4