0 B11R0.4 C#CCC(=O)C=CCCCCC 1458a_100016263427_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.4 C#CCCCNCC(=O)OCC 34a_100000718082_100000188475 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.4 C#CCCCOCC(=O)OCC 34a_100000215630_100000188475 [0,0,0,0,0,0|1,0,3]=4 3 B11R0.4 C#CCCCOCC(=O)OCC 7a_100000215630_100000188475 [0,0,0,0,0,0|1,0,3]=4 4 B11R0.4 C#CCCCSCC(=O)OCC 62a_100000188475_100011215417 [0,0,0,0,0,0|1,0,3]=4 5 B11R0.4 C#CCCCSCC(=O)OCC 62a_100011215417_100000188475 [0,0,0,0,0,0|1,0,3]=4 6 B11R0.4 C#CCNC/C=C/C(=O)OCC 34a_100000212058_100016267167 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.4 C#CCOC/C=C/C(=O)OCC 34a_100000210247_100016267167 [0,0,0,0,0,0|1,0,2]=3 8 B11R0.4 C#CCSC/C=C/C(=O)OCC 62a_100000038162_100016267167 [0,0,0,0,0,0|1,0,2]=3 9 B11R0.4 C/C=C/CCOCC(=O)OCC 34a_100016278192_100000188475 [0,0,0,0,0,0|1,0,3]=4 10 B11R0.4 C=CCC(=O)C=CCCCCC 1458a_100016263427_100000210623 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.4 C=CCCCNCC(=O)OCC 2230a_100000700776_100000188475 [0,0,0,0,0,0|1,0,3]=4 12 B11R0.4 C=CCCCNCC(=O)OCC 34a_100000700776_100000188475 [0,0,0,0,0,0|1,0,3]=4 13 B11R0.4 C=CCCCOCC(=O)OCC 34a_100000758997_100000188475 [0,0,0,0,0,0|1,0,3]=4 14 B11R0.4 C=CCCCOCC(=O)OCC 7a_100000758997_100000188475 [0,0,0,0,0,0|1,0,3]=4 15 B11R0.4 C=CCCCSCC(=O)OCC 62a_100000188475_100000757094 [0,0,0,0,0,0|1,0,3]=4 16 B11R0.4 C=CCCCSCC(=O)OCC 62a_100011713584_100000188475 [0,0,0,0,0,0|1,0,3]=4 17 B11R0.4 C=CCNC/C=C/C(=O)OCC 2230a_100020586998_100016267167 [0,0,0,0,0,0|1,0,2]=3 18 B11R0.4 C=CCOC/C=C/C(=O)OCC 34a_200000210373_100016267167 [0,0,0,0,0,0|1,0,2]=3 19 B11R0.4 C=CCSC/C=C/C(=O)OCC 62a_100000210623_100016267167 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.4 C=CCSC/C=C/C(=O)OCC 62a_100016267167_100000210623 [0,0,0,0,0,0|1,0,2]=3 21 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [0,0,0,0,0,0|1,0,3]=4 22 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [0,0,0,0,0,0|1,0,3]=4 23 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [0,0,0,0,0,0|1,0,3]=4 24 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [0,0,0,0,0,0|1,0,3]=4 25 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,0,0,0,0,0|1,0,3]=4 26 B11R0.4 CC#CC(=O)NNCCCCC 22a_100000694160_100000763181 [0,0,0,0,0,0|3,0,1]=4 27 B11R0.4 CC#CCCOCC(=O)OCC 34a_100000750427_100000188475 [0,0,0,0,0,0|1,0,3]=4 28 B11R0.4 CC/C=C(\C)/C=NNCCCC 4a_100025702795_100020678925 [0,0,0,0,0,0|4,0,0]=4 29 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [0,0,0,0,0,0|1,0,3]=4 30 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [0,0,0,0,0,0|1,0,3]=4 31 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [0,0,0,0,0,0|1,0,3]=4 32 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,0,0,0,0,0|1,0,3]=4 33 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,0,0,0,0,0|2,0,2]=4 35 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.4 CC=CC(=O)NNCCCCC 22a_100000694160_100000210699 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.4 CCC#CCOCC(=O)OCC 34a_100000032950_100000188475 [0,0,0,0,0,0|1,0,3]=4 38 B11R0.4 CCC#CCSCC(=O)OCC 62a_100000188475_100009813939 [0,0,0,0,0,0|1,0,3]=4 39 B11R0.4 CCC#CCSCC(=O)OCC 62a_100009813939_100000188475 [0,0,0,0,0,0|1,0,3]=4 40 B11R0.4 CCC/C=C/C=CC(=O)CCC 1458a_200016258893_100000210303 [0,0,0,0,0,0|1,0,2]=3 41 B11R0.4 CCC/C=C/C=CC(=O)CCF 1458a_200016258893_100011217306 [0,0,0,0,0,0|2,0,2]=4 42 B11R0.4 CCC/C=C/C=CC(=O)CCO 1458a_200016258893_100000211926 [0,0,0,0,0,0|2,0,2]=4 43 B11R0.4 CCC/C=C/C=CC(=O)NCC 11a_100015525214_200016258893 [0,0,0,0,0,0|1,0,2]=3 44 B11R0.4 CCC/C=C/C=CC(=O)NCC 240690a_100015525214_200016258893 [0,0,0,0,0,0|1,0,2]=3 45 B11R0.4 CCC/C=C/C=CC(=O)NNC 22a_100016993582_200016258893 [0,0,0,0,0,0|2,0,2]=4 46 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,0,0,0,0,0|2,0,2]=4 48 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,0,0,0,0,0|2,0,2]=4 49 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,0,0,0,0,0|3,0,1]=4 51 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [0,0,0,0,0,0|3,0,1]=4 52 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [0,0,0,0,0,0|3,0,1]=4 53 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [0,0,0,0,0,0|3,0,1]=4 54 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [0,0,0,0,0,0|3,0,1]=4 55 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [0,0,0,0,0,0|3,0,1]=4 56 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [0,0,0,0,0,0|3,0,1]=4 57 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [0,0,0,0,0,0|3,0,1]=4 58 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [0,0,0,0,0,0|3,0,1]=4 59 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [0,0,0,0,0,0|3,0,1]=4 60 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [0,0,0,0,0,0|3,0,1]=4 61 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,0,0,0,0,0|3,0,1]=4 62 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,0,0,0,0,0|3,0,1]=4 63 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [0,0,0,0,0,0|3,0,1]=4 64 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [0,0,0,0,0,0|3,0,1]=4 65 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [0,0,0,0,0,0|3,0,1]=4 66 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [0,0,0,0,0,0|3,0,1]=4 67 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [0,0,0,0,0,0|3,0,1]=4 68 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [0,0,0,0,0,0|3,0,1]=4 69 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,0,0,0,0,0|3,0,1]=4 70 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,0,0,0,0,0|3,0,1]=4 71 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,0,0,0,0,0|3,0,1]=4 72 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,0,0,0,0,0|3,0,1]=4 73 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,0,0,0,0,0|3,0,1]=4 74 B11R0.4 CCCC(=O)NNCCCOC 22a_100025702787_100000211992 [0,0,0,0,0,0|4,0,0]=4 75 B11R0.4 CCCC(=O)NNCCOCC 22a_100000732670_100000211992 [0,0,0,0,0,0|4,0,0]=4 76 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [0,0,0,0,0,0|1,0,2]=3 77 B11R0.4 CCCC/C=C/CC(=O)CCF 1458a_200016282684_100011217306 [0,0,0,0,0,0|2,0,2]=4 78 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,0,0,0,0,0|2,0,2]=4 79 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [0,0,0,0,0,0|1,0,2]=3 80 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [0,0,0,0,0,0|1,0,2]=3 81 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [0,0,0,0,0,0|1,0,2]=3 82 B11R0.4 CCCC/C=C/CC(=O)NNC 22a_100016993582_200016282684 [0,0,0,0,0,0|2,0,2]=4 83 B11R0.4 CCCCC=NNC(=O)CCC 4a_100000189770_100000210104 [0,0,0,0,0,0|3,0,1]=4 84 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [0,0,0,0,0,0|1,0,2]=3 85 B11R0.4 CCCCCC#CC(=O)CCF 1458a_100011215388_100011217306 [0,0,0,0,0,0|2,0,2]=4 86 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,0,0,0,0,0|2,0,2]=4 87 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [0,0,0,0,0,0|1,0,2]=3 88 B11R0.4 CCCCCC#CC(=O)NNC 22a_100016993582_100011215388 [0,0,0,0,0,0|2,0,2]=4 89 B11R0.4 CCCCCC=CC(=O)CC#N 1458a_100016263427_100011214920 [0,0,0,0,0,0|2,0,1]=3 90 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,0,0,0,0,0|1,0,0]=1 91 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,0,0,0,0,0|2,0,0]=2 92 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,0,0,0,0,0|2,0,0]=2 93 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,0,0,0,0,0|1,0,0]=1 94 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,0,0,0,0,0|1,0,0]=1 95 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [0,0,0,0,0,0|2,0,0]=2 96 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,0,0,0,0,0|1,0,2]=3 97 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,0,0,0,0,0|1,0,2]=3 98 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,0,0,0,0,0|2,0,2]=4 99 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,0,0,0,0,0|2,0,2]=4 100 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,0,0,0,0,0|2,0,2]=4 101 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,0,0,0,0,0|2,0,2]=4 102 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,0,0,0,0,0|2,0,2]=4 103 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,0,0,0,0,0|1,0,2]=3 104 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,0,0,0,0,0|1,0,2]=3 105 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,0,0,0,0,0|1,0,2]=3 106 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,0,0,0,0,0|2,0,2]=4 107 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,0,0,0,0,0|1,0,3]=4 108 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,0,0,0,0,0|1,0,3]=4 109 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,0,0,0,0,0|1,0,3]=4 110 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,0,0,0,0,0|2,0,1]=3 111 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,0,0,0,0,0|2,0,1]=3 112 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,0,0,0,0,0|2,0,1]=3 113 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,0,0,0,0,0|2,0,1]=3 114 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,0,0,0,0,0|3,0,1]=4 115 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,0,0,0,0,0|3,0,1]=4 116 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,0,0,0,0,0|3,0,1]=4 117 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,0,0,0,0,0|3,0,1]=4 118 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,0,0,0,0,0|3,0,1]=4 119 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,0,0,0,0,0|3,0,1]=4 120 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,0,0,0,0,0|3,0,1]=4 121 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,0,0,0,0,0|3,0,1]=4 122 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,0,0,0,0,0|3,0,1]=4 123 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,0,0,0,0,0|3,0,1]=4 124 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,0,0,0,0,0|3,0,1]=4 125 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,0,0,0,0,0|3,0,1]=4 126 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,0,0,0,0,0|3,0,1]=4 127 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,0,0,0,0,0|3,0,1]=4 128 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,0,0,0,0,0|3,0,1]=4 129 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,0,0,0,0,0|2,0,1]=3 130 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,0,0,0,0,0|2,0,1]=3 131 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,0,0,0,0,0|2,0,1]=3 132 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,0,0,0,0,0|2,0,1]=3 133 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,0,0,0,0,0|2,0,1]=3 134 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,0,0,0,0,0|2,0,1]=3 135 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [0,0,0,0,0,0|3,0,1]=4 136 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [0,0,0,0,0,0|3,0,1]=4 137 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [0,0,0,0,0,0|3,0,1]=4 138 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,0,0,0,0,0|2,0,1]=3 139 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,0,0,0,0,0|2,0,1]=3 140 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,0,0,0,0,0|2,0,1]=3 141 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,0,0,0,0,0|3,0,1]=4 142 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,0,0,0,0,0|1,0,1]=2 143 B11R0.4 CCCCCNN=C(C)CCC 4a_100000694160_100000211909 [0,0,0,0,0,0|4,0,0]=4 144 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [0,0,0,0,0,0|3,0,0]=3 145 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,0,0,0,0,0|4,0,0]=4 146 B11R0.4 CCCCCNNC(=O)COC 22a_100000694160_100000210968 [0,0,0,0,0,0|4,0,0]=4 147 B11R0.4 CCCCCNNC(=O)CSC 22a_100000694160_100000184570 [0,0,0,0,0,0|4,0,0]=4 148 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [0,0,0,0,0,0|3,0,0]=3 149 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [0,0,0,0,0,0|3,0,0]=3 150 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [0,0,0,0,0,0|3,0,0]=3 151 B11R0.4 CCCCCNNC(=O)NNC 512a_100000694160_100016993582 [0,0,0,0,0,0|4,0,0]=4 152 B11R0.4 CCCCCNNC(=O)NNC 512a_100016993582_100000694160 [0,0,0,0,0,0|4,0,0]=4 153 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,0,0,0,0,0|2,0,1]=3 154 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,0,0,0,0,0|2,0,1]=3 155 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,0,0,0,0,0|2,0,1]=3 156 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,0,0,0,0,0|3,0,1]=4 157 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,0,0,0,0,0|3,0,1]=4 158 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,0,0,0,0,0|1,0,1]=2 159 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,0,0,0,0,0|1,0,1]=2 160 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,0,0,0,0,0|2,0,1]=3 161 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,0,0,0,0,0|2,0,1]=3 162 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,0,0,0,0,0|2,0,1]=3 163 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,0,0,0,0,0|2,0,1]=3 164 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,0,0,0,0,0|3,0,1]=4 165 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,0,0,0,0,0|3,0,1]=4 166 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,0,0,0,0,0|1,0,1]=2 167 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,0,0,0,0,0|1,0,1]=2 168 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,0,0,0,0,0|2,0,2]=4 169 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,0,0,0,0,0|2,0,2]=4 170 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,0,0,0,0,0|2,0,2]=4 171 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,0,0,0,0,0|1,0,2]=3 172 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,0,0,0,0,0|1,0,2]=3 173 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,0,0,0,0,0|3,0,1]=4 174 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [0,0,0,0,0,0|2,0,0]=2 175 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,0,0,0,0,0|2,0,2]=4 176 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,0,0,0,0,0|2,0,2]=4 177 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,0,0,0,0,0|1,0,2]=3 178 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,0,0,0,0,0|1,0,2]=3 179 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,0,0,0,0,0|3,0,1]=4 180 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,0,0,0,0,0|2,0,2]=4 181 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,0,0,0,0,0|2,0,2]=4 182 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,0,0,0,0,0|1,0,2]=3 183 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,0,0,0,0,0|1,0,2]=3 184 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,0,0,0,0,0|3,0,1]=4 185 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,0,0,0,0,0|2,0,1]=3 186 B11R0.4 CCCNN=C[CH-]C(=O)OCC 4a_100000740057_100010622808 [0,0,0,0,0,0|2,0,1]=3 187 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [0,0,0,0,0,0|1,0,0]=1 188 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,0,0,0,0,0|1,0,2]=3 189 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,0,0,0,0,0|1,0,2]=3 190 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,0,0,0,0,0|3,0,1]=4 191 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,0,0,0,0,0|3,0,1]=4 192 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,0,0,0,0,0|3,0,1]=4 193 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [0,0,0,0,0,0|3,0,1]=4 194 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [0,0,0,0,0,0|3,0,1]=4 195 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [0,0,0,0,0,0|3,0,1]=4 197 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [0,0,0,0,0,0|3,0,1]=4 198 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [0,0,0,0,0,0|3,0,1]=4 199 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,0,0,0,0,0|2,0,1]=3 200 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [0,0,0,0,0,0|1,0,0]=1 201 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [0,0,0,0,0,0|1,0,0]=1 202 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,0,0,0,0,0|1,0,2]=3 203 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,0,0,0,0,0|1,0,2]=3 204 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,0,0,0,0,0|3,0,1]=4 205 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,0,0,0,0,0|3,0,1]=4 206 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,0,0,0,0,0|3,0,1]=4 207 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [0,0,0,0,0,0|3,0,1]=4 208 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [0,0,0,0,0,0|3,0,1]=4 209 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [0,0,0,0,0,0|3,0,1]=4 210 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [0,0,0,0,0,0|3,0,1]=4 211 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [0,0,0,0,0,0|3,0,1]=4 212 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [0,0,0,0,0,0|3,0,1]=4 213 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,0,0,0,0,0|2,0,1]=3 214 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,0,0,0,0,0|2,0,2]=4 215 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,0,0,0,0,0|2,0,2]=4 216 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,0,0,0,0,0|2,0,2]=4 217 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,0,0,0,0,0|2,0,2]=4 218 B11R0.4 CCNC(=O)CNCCCCF 2230a_100016988866_100000729493 [0,0,0,0,0,0|3,0,1]=4 219 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [0,0,0,0,0,0|3,0,1]=4 220 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [0,0,0,0,0,0|3,0,1]=4 221 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [0,0,0,0,0,0|3,0,1]=4 222 B11R0.4 CCNC(=O)CNCCCOC 2230a_100016988866_100000740836 [0,0,0,0,0,0|3,0,1]=4 223 B11R0.4 CCNC(=O)CNCCCOC 34a_100150723488_100000183381 [0,0,0,0,0,0|3,0,1]=4 224 B11R0.4 CCNC(=O)CNCCCSC 2230a_100000749238_100000183381 [0,0,0,0,0,0|3,0,1]=4 225 B11R0.4 CCNC(=O)CNCCOCC 2230a_100016988866_100011215890 [0,0,0,0,0,0|3,0,1]=4 226 B11R0.4 CCNC(=O)CNCCOCC 2230a_102516460346_100000183381 [0,0,0,0,0,0|3,0,1]=4 227 B11R0.4 CCNC(=O)CNCCOCC 34a_102516460346_100000183381 [0,0,0,0,0,0|3,0,1]=4 228 B11R0.4 CCNC(=O)CNCCSCC 2230a_100000106463_100000183381 [0,0,0,0,0,0|3,0,1]=4 229 B11R0.4 CCNC(=O)CNCCSCC 2230a_100016988866_100000757381 [0,0,0,0,0,0|3,0,1]=4 230 B11R0.4 CCNC(=O)COCCCCBr 34a_100011216708_100000183381 [0,0,0,0,0,0|3,0,1]=4 231 B11R0.4 CCNC(=O)COCCCCCl 34a_100000210776_100000183381 [0,0,0,0,0,0|3,0,1]=4 232 B11R0.4 CCNC(=O)COCCCCCl 7a_100000210776_100000183381 [0,0,0,0,0,0|3,0,1]=4 233 B11R0.4 CCNC(=O)COCCCCF 34a_100011995726_100000183381 [0,0,0,0,0,0|3,0,1]=4 234 B11R0.4 CCNC(=O)COCCCCF 7a_100011995726_100000183381 [0,0,0,0,0,0|3,0,1]=4 235 B11R0.4 CCNC(=O)COCCCCI 34a_200012148704_100000183381 [0,0,0,0,0,0|3,0,1]=4 236 B11R0.4 CCNC(=O)COCCCCN 34a_100000750430_100000183381 [0,0,0,0,0,0|3,0,1]=4 237 B11R0.4 CCNC(=O)COCCCNC 34a_100000213112_100000183381 [0,0,0,0,0,0|3,0,1]=4 238 B11R0.4 CCNC(=O)COCCCOC 34a_100000740835_100000183381 [0,0,0,0,0,0|3,0,1]=4 239 B11R0.4 CCNC(=O)COCCCSC 34a_100000690336_100000183381 [0,0,0,0,0,0|3,0,1]=4 240 B11R0.4 CCNC(=O)COCCCSC 7a_100000690336_100000183381 [0,0,0,0,0,0|3,0,1]=4 241 B11R0.4 CCNC(=O)COCCOCC 34a_100000210136_100000183381 [0,0,0,0,0,0|3,0,1]=4 242 B11R0.4 CCNC(=O)COCCOCC 7a_100000210136_100000183381 [0,0,0,0,0,0|3,0,1]=4 243 B11R0.4 CCNC(=O)COCCSCC 34a_100000212035_100000183381 [0,0,0,0,0,0|3,0,1]=4 244 B11R0.4 CCNC(=O)COCCSCC 7a_100000212035_100000183381 [0,0,0,0,0,0|3,0,1]=4 245 B11R0.4 CCNC(=O)CSCCCCF 62a_100000183381_100000729493 [0,0,0,0,0,0|3,0,1]=4 246 B11R0.4 CCNC(=O)CSCCCCF 62a_100000729493_100000183381 [0,0,0,0,0,0|3,0,1]=4 247 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [0,0,0,0,0,0|3,0,1]=4 248 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [0,0,0,0,0,0|3,0,1]=4 249 B11R0.4 CCNC(=O)CSCCCOC 62a_100000183381_100000709357 [0,0,0,0,0,0|3,0,1]=4 250 B11R0.4 CCNC(=O)CSCCCOC 62a_100000709357_100000183381 [0,0,0,0,0,0|3,0,1]=4 251 B11R0.4 CCNC(=O)CSCCOCC 62a_100000183381_100011215890 [0,0,0,0,0,0|3,0,1]=4 252 B11R0.4 CCNC(=O)CSCCOCC 62a_100000210147_100000183381 [0,0,0,0,0,0|3,0,1]=4 253 B11R0.4 CCNC(=O)CSCCSCC 62a_100000183381_100000757381 [0,0,0,0,0,0|3,0,1]=4 254 B11R0.4 CCNC(=O)CSCCSCC 62a_100000757381_100000183381 [0,0,0,0,0,0|3,0,1]=4 255 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,0,0,0,0,0|3,0,1]=4 256 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,0,0,0,0,0|3,0,1]=4 257 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,0,0,0,0,0|3,0,1]=4 258 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,0,0,0,0,0|3,0,1]=4 259 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,0,0,0,0,0|3,0,1]=4 260 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [0,0,0,0,0,0|3,0,1]=4 261 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [0,0,0,0,0,0|3,0,1]=4 262 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [0,0,0,0,0,0|3,0,1]=4 263 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [0,0,0,0,0,0|3,0,1]=4 264 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [0,0,0,0,0,0|3,0,1]=4 265 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [0,0,0,0,0,0|3,0,1]=4 266 B11R0.4 CCNC(=O)NNCCCOC 273464a_100015525214_100025702787 [0,0,0,0,0,0|4,0,0]=4 267 B11R0.4 CCNC(=O)NNCCCOC 512a_100015525214_100025702787 [0,0,0,0,0,0|4,0,0]=4 268 B11R0.4 CCNC(=O)NNCCOCC 273464a_100015525214_100000732670 [0,0,0,0,0,0|4,0,0]=4 269 B11R0.4 CCNC(=O)NNCCOCC 512a_100000732670_100015525214 [0,0,0,0,0,0|4,0,0]=4 270 B11R0.4 CCNC(=O)NNCCOCC 512a_100015525214_100000732670 [0,0,0,0,0,0|4,0,0]=4 271 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,0,0,0,0,0|1,0,2]=3 272 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [0,0,0,0,0,0|2,0,1]=3 273 B11R0.4 CCNN=CC=CC(=O)OCC 4a_100000756455_100016289910 [0,0,0,0,0,0|2,0,1]=3 274 B11R0.4 CCOC(=O)/C=C/CNCCF 34a_100000724931_100016267167 [0,0,0,0,0,0|2,0,0]=2 275 B11R0.4 CCOC(=O)/C=C/CNCCO 2230a_100016997473_100016267167 [0,0,0,0,0,0|2,0,0]=2 276 B11R0.4 CCOC(=O)/C=C/CNCCO 34a_100016990907_100016267167 [0,0,0,0,0,0|2,0,0]=2 277 B11R0.4 CCOC(=O)/C=C/COCCBr 34a_100000211926_100016267167 [0,0,0,0,0,0|2,0,0]=2 278 B11R0.4 CCOC(=O)/C=C/COCCN 34a_100000210304_100016267167 [0,0,0,0,0,0|2,0,0]=2 279 B11R0.4 CCOC(=O)/C=C/CSCC#N 62a_100011215382_100016267167 [0,0,0,0,0,0|2,0,1]=3 280 B11R0.4 CCOC(=O)/C=C/CSCC#N 62a_100016267167_100011215382 [0,0,0,0,0,0|2,0,1]=3 281 B11R0.4 CCOC(=O)/C=C/CSCC=O 62a_100016267167_200015260668 [0,0,0,0,0,0|2,0,1]=3 282 B11R0.4 CCOC(=O)/C=C/CSCC=O 62a_200015260668_100016267167 [0,0,0,0,0,0|2,0,1]=3 283 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100011217306_100016267167 [0,0,0,0,0,0|2,0,0]=2 284 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100016267167_100011217306 [0,0,0,0,0,0|2,0,0]=2 285 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100000211926_100016267167 [0,0,0,0,0,0|2,0,0]=2 286 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100016267167_100000211926 [0,0,0,0,0,0|2,0,0]=2 287 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100000766300_100016267167 [0,0,0,0,0,0|2,0,0]=2 288 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100016267167_100000766300 [0,0,0,0,0,0|2,0,0]=2 289 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100011218213_100016267167 [0,0,0,0,0,0|2,0,0]=2 290 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100016267167_100011218213 [0,0,0,0,0,0|2,0,0]=2 291 B11R0.4 CCOC(=O)C=NNCCC#N 4a_100000229987_100000742314 [0,0,0,0,0,0|3,0,1]=4 292 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,0,0,0,0,0|1,0,2]=3 293 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,0,0,0,0,0|1,0,2]=3 294 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,0,0,0,0,0|1,0,2]=3 295 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,0,0,0,0,0|1,0,2]=3 296 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,0,0,0,0,0|1,0,2]=3 297 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,0,0,0,0,0|1,0,2]=3 298 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,0,0,0,0,0|1,0,2]=3 299 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,0,0,0,0,0|1,0,2]=3 300 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,0,0,0,0,0|1,0,2]=3 301 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,0,0,0,0,0|1,0,2]=3 302 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,0,0,0,0,0|1,0,2]=3 303 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,0,0,0,0,0|1,0,2]=3 304 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [0,0,0,0,0,0|2,0,2]=4 305 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [0,0,0,0,0,0|2,0,2]=4 306 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [0,0,0,0,0,0|2,0,2]=4 307 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,0,0,0,0,0|2,0,2]=4 308 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,0,0,0,0,0|2,0,2]=4 309 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [0,0,0,0,0,0|2,0,2]=4 310 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [0,0,0,0,0,0|2,0,2]=4 311 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [0,0,0,0,0,0|2,0,2]=4 312 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,0,0,0,0,0|2,0,2]=4 313 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [0,0,0,0,0,0|2,0,2]=4 314 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [0,0,0,0,0,0|2,0,2]=4 315 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,0,0,0,0,0|2,0,2]=4 316 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,0,0,0,0,0|2,0,2]=4 317 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [0,0,0,0,0,0|2,0,2]=4 318 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [0,0,0,0,0,0|2,0,2]=4 319 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [0,0,0,0,0,0|2,0,2]=4 320 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [0,0,0,0,0,0|2,0,2]=4 321 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [0,0,0,0,0,0|2,0,2]=4 322 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [0,0,0,0,0,0|2,0,2]=4 323 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [0,0,0,0,0,0|2,0,2]=4 324 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [0,0,0,0,0,0|2,0,2]=4 325 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [0,0,0,0,0,0|2,0,2]=4 326 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [0,0,0,0,0,0|2,0,2]=4 327 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [0,0,0,0,0,0|2,0,2]=4 328 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [0,0,0,0,0,0|2,0,2]=4 329 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [0,0,0,0,0,0|2,0,2]=4 330 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [0,0,0,0,0,0|2,0,2]=4 331 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [0,0,0,0,0,0|2,0,2]=4 332 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [0,0,0,0,0,0|2,0,2]=4 333 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [0,0,0,0,0,0|2,0,2]=4 334 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,0,0,0,0,0|2,0,2]=4 335 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,0,0,0,0,0|2,0,2]=4 336 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [0,0,0,0,0,0|2,0,2]=4 337 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [0,0,0,0,0,0|2,0,2]=4 338 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [0,0,0,0,0,0|2,0,2]=4 339 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [0,0,0,0,0,0|2,0,2]=4 340 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,0,0,0,0,0|2,0,1]=3 341 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,0,0,0,0,0|2,0,1]=3 342 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [0,0,0,0,0,0|2,0,1]=3 343 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [0,0,0,0,0,0|2,0,1]=3 344 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [0,0,0,0,0,0|2,0,1]=3 345 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,0,0,0,0,0|2,0,1]=3 346 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,0,0,0,0,0|2,0,1]=3 347 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,0,0,0,0,0|2,0,1]=3 348 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,0,0,0,0,0|2,0,1]=3 349 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,0,0,0,0,0|2,0,1]=3 350 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,0,0,0,0,0|2,0,1]=3 351 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,0,0,0,0,0|2,0,1]=3 352 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [0,0,0,0,0,0|2,0,1]=3 353 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [0,0,0,0,0,0|2,0,1]=3 354 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [0,0,0,0,0,0|2,0,1]=3 355 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [0,0,0,0,0,0|2,0,1]=3 356 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,0,0,0,0,0|2,0,1]=3 357 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,0,0,0,0,0|2,0,1]=3 358 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [0,0,0,0,0,0|2,0,1]=3 359 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [0,0,0,0,0,0|2,0,1]=3 360 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [0,0,0,0,0,0|2,0,1]=3 361 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [0,0,0,0,0,0|2,0,1]=3 362 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [0,0,0,0,0,0|2,0,1]=3 363 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [0,0,0,0,0,0|2,0,1]=3 364 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [0,0,0,0,0,0|2,0,1]=3 365 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [0,0,0,0,0,0|2,0,1]=3 366 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [0,0,0,0,0,0|2,0,1]=3 367 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [0,0,0,0,0,0|2,0,1]=3 368 B11R0.4 CCOC(=O)COCCSCF 62a_100000088970_100015361967 [0,0,0,0,0,0|3,0,1]=4 369 B11R0.4 CCOC(=O)COCCSCF 62a_100015361967_100000088970 [0,0,0,0,0,0|3,0,1]=4 370 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000188475_100000687738 [0,0,0,0,0,0|2,0,2]=4 371 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000687738_100000188475 [0,0,0,0,0,0|2,0,2]=4 372 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [0,0,0,0,0,0|2,0,2]=4 373 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [0,0,0,0,0,0|2,0,2]=4 374 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [0,0,0,0,0,0|2,0,1]=3 375 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [0,0,0,0,0,0|2,0,1]=3 376 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,0,0,0,0,0|2,0,1]=3 377 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,0,0,0,0,0|2,0,1]=3 378 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [0,0,0,0,0,0|2,0,1]=3 379 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [0,0,0,0,0,0|2,0,1]=3 380 B11R0.4 CCOC(=O)CSCCOCF 7a_200000230590_100015361967 [0,0,0,0,0,0|3,0,1]=4 381 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [0,0,0,0,0,0|2,0,1]=3 382 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [0,0,0,0,0,0|2,0,1]=3 383 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [0,0,0,0,0,0|3,0,1]=4 384 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [0,0,0,0,0,0|3,0,1]=4 385 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [0,0,0,0,0,0|3,0,1]=4 386 B11R0.4 CCOC(=O)NCCSCCF 62a_100011217306_200011445536 [0,0,0,0,0,0|3,0,1]=4 387 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [0,0,0,0,0,0|3,0,1]=4 388 B11R0.4 CCOC(=O)NCCSCOC 62a_100000766300_200011445536 [0,0,0,0,0,0|3,0,1]=4 389 B11R0.4 CCOC(=O)NCCSCSC 62a_100011218213_200011445536 [0,0,0,0,0,0|3,0,1]=4 390 B11R0.4 CCOC(=O)NN=CCSCC 62a_100000210202_100015372823 [0,0,0,0,0,0|3,0,1]=4 391 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [0,0,0,0,0,0|3,0,1]=4 392 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [0,0,0,0,0,0|3,0,1]=4 393 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [0,0,0,0,0,0|3,0,1]=4 394 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [0,0,0,0,0,0|3,0,1]=4 395 B11R0.4 CCOC(=O)[CH-]C=NNCCO 4a_100000210001_100010622808 [0,0,0,0,0,0|3,0,1]=4 396 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,0,0,0,0,0|1,0,2]=3 397 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [0,0,0,0,0,0|2,0,1]=3 398 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [0,0,0,0,0,0|2,0,1]=3 399 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [0,0,0,0,0,0|2,0,1]=3 400 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [0,0,0,0,0,0|2,0,1]=3 401 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [0,0,0,0,0,0|2,0,1]=3 402 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [0,0,0,0,0,0|2,0,1]=3 403 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [0,0,0,0,0,0|2,0,1]=3 404 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [0,0,0,0,0,0|2,0,1]=3 405 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [0,0,0,0,0,0|2,0,2]=4 406 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [0,0,0,0,0,0|2,0,2]=4 407 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [0,0,0,0,0,0|3,0,1]=4 408 B10R0.1 C#CCC(=O)C=CCCCC 1458a_100016266645_100000184674 [1,0,0,0,0,0|1,0,2]=4 409 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [1,0,0,0,0,0|1,0,2]=4 410 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [1,0,0,0,0,0|1,0,2]=4 411 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,0,0,0,0,0|1,0,2]=4 412 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [1,0,0,0,0,0|2,0,1]=4 413 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [1,0,0,0,0,0|2,0,1]=4 414 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [1,0,0,0,0,0|2,0,1]=4 415 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [1,0,0,0,0,0|1,0,2]=4 416 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [1,0,0,0,0,0|1,0,2]=4 417 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [1,0,0,0,0,0|1,0,2]=4 418 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [1,0,0,0,0,0|1,0,2]=4 419 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,0,0,0,0,0|2,0,1]=4 420 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,0,0,0,0,0|2,0,1]=4 421 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,0,0,0,0,0|2,0,1]=4 422 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,0,0,0,0,0|2,0,1]=4 423 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,0,0,0,0,0|2,0,1]=4 424 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [1,0,0,0,0,0|3,0,0]=4 425 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [1,0,0,0,0,0|3,0,0]=4 426 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [1,0,0,0,0,0|3,0,0]=4 427 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [1,0,0,0,0,0|3,0,0]=4 428 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [1,0,0,0,0,0|3,0,0]=4 429 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [1,0,0,0,0,0|3,0,0]=4 430 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [1,0,0,0,0,0|3,0,0]=4 431 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [1,0,0,0,0,0|3,0,0]=4 432 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [1,0,0,0,0,0|3,0,0]=4 433 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [1,0,0,0,0,0|3,0,0]=4 434 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [1,0,0,0,0,0|3,0,0]=4 435 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [1,0,0,0,0,0|3,0,0]=4 436 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [1,0,0,0,0,0|3,0,0]=4 437 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [1,0,0,0,0,0|3,0,0]=4 438 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [1,0,0,0,0,0|3,0,0]=4 439 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [1,0,0,0,0,0|3,0,0]=4 440 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [1,0,0,0,0,0|3,0,0]=4 441 B10R0.1 CCCCC=CC(=O)CC#N 1458a_100016266645_100011214920 [1,0,0,0,0,0|2,0,1]=4 442 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [1,0,0,0,0,0|1,0,0]=2 443 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [1,0,0,0,0,0|2,0,0]=3 444 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [1,0,0,0,0,0|2,0,0]=3 445 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [1,0,0,0,0,0|1,0,0]=2 446 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [1,0,0,0,0,0|1,0,0]=2 447 B10R0.1 CCCCC=CC(=O)NNC 22a_100016993582_100016266645 [1,0,0,0,0,0|2,0,0]=3 448 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,0,0,0,0,0|1,0,1]=3 449 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,0,0,0,0,0|1,0,1]=3 450 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,0,0,0,0,0|2,0,1]=4 451 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,0,0,0,0,0|2,0,1]=4 452 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,0,0,0,0,0|2,0,1]=4 453 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,0,0,0,0,0|2,0,1]=4 454 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,0,0,0,0,0|2,0,1]=4 455 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,0,0,0,0,0|1,0,1]=3 456 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,0,0,0,0,0|1,0,1]=3 457 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,0,0,0,0,0|1,0,1]=3 458 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [1,0,0,0,0,0|2,0,1]=4 459 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [1,0,0,0,0,0|1,0,2]=4 460 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [1,0,0,0,0,0|1,0,2]=4 461 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [1,0,0,0,0,0|1,0,2]=4 462 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,0,0,0,0,0|2,0,0]=3 463 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,0,0,0,0,0|2,0,0]=3 464 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,0,0,0,0,0|2,0,0]=3 465 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,0,0,0,0,0|2,0,0]=3 466 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [1,0,0,0,0,0|3,0,0]=4 467 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [1,0,0,0,0,0|3,0,0]=4 468 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [1,0,0,0,0,0|3,0,0]=4 469 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [1,0,0,0,0,0|3,0,0]=4 470 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [1,0,0,0,0,0|3,0,0]=4 471 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [1,0,0,0,0,0|3,0,0]=4 472 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [1,0,0,0,0,0|3,0,0]=4 473 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [1,0,0,0,0,0|3,0,0]=4 474 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [1,0,0,0,0,0|3,0,0]=4 475 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [1,0,0,0,0,0|3,0,0]=4 476 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [1,0,0,0,0,0|3,0,0]=4 477 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [1,0,0,0,0,0|3,0,0]=4 478 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [1,0,0,0,0,0|3,0,0]=4 479 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [1,0,0,0,0,0|3,0,0]=4 480 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [1,0,0,0,0,0|3,0,0]=4 481 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [1,0,0,0,0,0|3,0,0]=4 482 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [1,0,0,0,0,0|3,0,0]=4 483 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [1,0,0,0,0,0|2,0,0]=3 484 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [1,0,0,0,0,0|2,0,0]=3 485 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [1,0,0,0,0,0|2,0,0]=3 486 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [1,0,0,0,0,0|2,0,0]=3 487 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [1,0,0,0,0,0|2,0,0]=3 488 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [1,0,0,0,0,0|2,0,0]=3 489 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [1,0,0,0,0,0|3,0,0]=4 490 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [1,0,0,0,0,0|3,0,0]=4 491 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [1,0,0,0,0,0|3,0,0]=4 492 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,0,0,0,0,0|2,0,1]=4 493 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,0,0,0,0,0|2,0,1]=4 494 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [1,0,0,0,0,0|2,0,1]=4 495 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [1,0,0,0,0,0|2,0,1]=4 496 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [1,0,0,0,0,0|2,0,1]=4 497 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [1,0,0,0,0,0|1,0,1]=3 498 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [1,0,0,0,0,0|1,0,1]=3 499 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [1,0,0,0,0,0|3,0,0]=4 500 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [1,0,0,0,0,0|3,0,0]=4 501 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [1,0,0,0,0,0|3,0,0]=4 502 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [1,0,0,0,0,0|3,0,0]=4 503 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,0,0,0,0,0|2,0,1]=4 504 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,0,0,0,0,0|2,0,1]=4 505 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,0,0,0,0,0|2,0,1]=4 506 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [1,0,0,0,0,0|2,0,1]=4 507 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [1,0,0,0,0,0|2,0,1]=4 508 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [1,0,0,0,0,0|2,0,1]=4 509 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [1,0,0,0,0,0|2,0,1]=4 510 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [1,0,0,0,0,0|2,0,1]=4 511 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [1,0,0,0,0,0|1,0,1]=3 512 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [1,0,0,0,0,0|1,0,1]=3 513 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,0,0,0,0,0|2,0,1]=4 514 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,0,0,0,0,0|2,0,1]=4 515 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,0,0,0,0,0|2,0,1]=4 516 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [1,0,0,0,0,0|2,0,1]=4 517 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [1,0,0,0,0,0|2,0,1]=4 518 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [1,0,0,0,0,0|2,0,1]=4 519 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [1,0,0,0,0,0|2,0,1]=4 520 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [1,0,0,0,0,0|2,0,1]=4 521 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [1,0,0,0,0,0|1,0,1]=3 522 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [1,0,0,0,0,0|1,0,1]=3 523 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [1,0,0,0,0,0|2,0,1]=4 524 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [1,0,0,0,0,0|2,0,0]=3 525 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,0,0,0,0,0|2,0,1]=4 526 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,0,0,0,0,0|1,0,1]=3 527 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [1,0,0,0,0,0|3,0,0]=4 528 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [1,0,0,0,0,0|2,0,1]=4 529 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [1,0,0,0,0,0|2,0,1]=4 530 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [1,0,0,0,0,0|1,0,1]=3 531 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [1,0,0,0,0,0|1,0,1]=3 532 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [1,0,0,0,0,0|3,0,0]=4 533 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [1,0,0,0,0,0|2,0,0]=3 534 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [1,0,0,0,0,0|2,0,1]=4 535 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [1,0,0,0,0,0|3,0,0]=4 536 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [1,0,0,0,0,0|3,0,0]=4 537 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [1,0,0,0,0,0|3,0,0]=4 538 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [1,0,0,0,0,0|3,0,0]=4 539 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [1,0,0,0,0,0|3,0,0]=4 540 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [1,0,0,0,0,0|3,0,0]=4 541 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [1,0,0,0,0,0|3,0,0]=4 542 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [1,0,0,0,0,0|3,0,0]=4 543 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [1,0,0,0,0,0|3,0,0]=4 544 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [1,0,0,0,0,0|3,0,0]=4 545 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [1,0,0,0,0,0|3,0,0]=4 546 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [1,0,0,0,0,0|3,0,0]=4 547 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [1,0,0,0,0,0|3,0,0]=4 548 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [1,0,0,0,0,0|3,0,0]=4 549 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [1,0,0,0,0,0|3,0,0]=4 550 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [1,0,0,0,0,0|3,0,0]=4 551 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [1,0,0,0,0,0|3,0,0]=4 552 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [1,0,0,0,0,0|3,0,0]=4 553 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [1,0,0,0,0,0|3,0,0]=4 554 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [1,0,0,0,0,0|3,0,0]=4 555 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [1,0,0,0,0,0|3,0,0]=4 556 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [1,0,0,0,0,0|3,0,0]=4 557 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [1,0,0,0,0,0|3,0,0]=4 558 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [1,0,0,0,0,0|3,0,0]=4 559 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [1,0,0,0,0,0|3,0,0]=4 560 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [1,0,0,0,0,0|3,0,0]=4 561 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [1,0,0,0,0,0|3,0,0]=4 562 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [1,0,0,0,0,0|3,0,0]=4 563 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [1,0,0,0,0,0|3,0,0]=4 564 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [1,0,0,0,0,0|1,0,0]=2 565 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [1,0,0,0,0,0|1,0,1]=3 566 B10R0.1 CCNN=C[CH-]C(=O)OCC 4a_100000756455_100010622808 [1,0,0,0,0,0|2,0,1]=4 567 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [1,0,0,0,0,0|1,0,0]=2 568 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [1,0,0,0,0,0|1,0,0]=2 569 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100015361967_100016267167 [1,0,0,0,0,0|2,0,0]=3 570 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100016267167_100015361967 [1,0,0,0,0,0|2,0,0]=3 571 B10R0.1 CCOC(=O)C=NNCCO 4a_100000210001_100000742314 [1,0,0,0,0,0|3,0,0]=4 572 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [1,0,0,0,0,0|1,0,1]=3 573 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [1,0,0,0,0,0|1,0,1]=3 574 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [1,0,0,0,0,0|1,0,1]=3 575 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [1,0,0,0,0,0|1,0,1]=3 576 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [1,0,0,0,0,0|1,0,1]=3 577 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [1,0,0,0,0,0|1,0,1]=3 578 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [1,0,0,0,0,0|1,0,1]=3 579 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [1,0,0,0,0,0|1,0,1]=3 580 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [1,0,0,0,0,0|2,0,1]=4 581 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [1,0,0,0,0,0|1,0,1]=3 582 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [1,0,0,0,0,0|1,0,1]=3 583 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [1,0,0,0,0,0|2,0,1]=4 584 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [1,0,0,0,0,0|2,0,1]=4 585 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [1,0,0,0,0,0|2,0,1]=4 586 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [1,0,0,0,0,0|2,0,1]=4 587 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [1,0,0,0,0,0|2,0,1]=4 588 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [1,0,0,0,0,0|2,0,1]=4 589 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [1,0,0,0,0,0|2,0,1]=4 590 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [1,0,0,0,0,0|2,0,1]=4 591 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [1,0,0,0,0,0|2,0,1]=4 592 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [1,0,0,0,0,0|2,0,1]=4 593 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [1,0,0,0,0,0|2,0,1]=4 594 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [1,0,0,0,0,0|2,0,1]=4 595 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [1,0,0,0,0,0|2,0,1]=4 596 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [1,0,0,0,0,0|2,0,1]=4 597 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [1,0,0,0,0,0|2,0,1]=4 598 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [1,0,0,0,0,0|2,0,1]=4 599 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [1,0,0,0,0,0|2,0,1]=4 600 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [1,0,0,0,0,0|2,0,1]=4 601 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [1,0,0,0,0,0|2,0,1]=4 602 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [1,0,0,0,0,0|2,0,1]=4 603 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [1,0,0,0,0,0|2,0,1]=4 604 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [1,0,0,0,0,0|2,0,1]=4 605 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [1,0,0,0,0,0|2,0,1]=4 606 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [1,0,0,0,0,0|2,0,1]=4 607 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [1,0,0,0,0,0|2,0,1]=4 608 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [1,0,0,0,0,0|2,0,1]=4 609 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [1,0,0,0,0,0|2,0,1]=4 610 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [1,0,0,0,0,0|2,0,1]=4 611 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [1,0,0,0,0,0|2,0,1]=4 612 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [1,0,0,0,0,0|2,0,1]=4 613 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [1,0,0,0,0,0|2,0,1]=4 614 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [1,0,0,0,0,0|2,0,1]=4 615 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [1,0,0,0,0,0|2,0,1]=4 616 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [1,0,0,0,0,0|2,0,1]=4 617 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [1,0,0,0,0,0|2,0,1]=4 618 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [1,0,0,0,0,0|2,0,1]=4 619 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [1,0,0,0,0,0|2,0,1]=4 620 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [1,0,0,0,0,0|2,0,1]=4 621 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [1,0,0,0,0,0|2,0,1]=4 622 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [1,0,0,0,0,0|2,0,1]=4 623 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [1,0,0,0,0,0|2,0,1]=4 624 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [1,0,0,0,0,0|2,0,1]=4 625 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [1,0,0,0,0,0|2,0,1]=4 626 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [1,0,0,0,0,0|2,0,1]=4 627 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [1,0,0,0,0,0|3,0,0]=4 628 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [1,0,0,0,0,0|2,0,0]=3 629 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [1,0,0,0,0,0|3,0,0]=4 630 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [1,0,0,0,0,0|3,0,0]=4 631 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [1,0,0,0,0,0|3,0,0]=4 632 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [1,0,0,0,0,0|3,0,0]=4 633 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [1,0,0,0,0,0|3,0,0]=4 634 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [1,0,0,0,0,0|1,0,0]=2 635 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [1,0,0,0,0,0|1,0,1]=3 636 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [1,0,0,0,0,0|1,0,1]=3 637 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [1,0,0,0,0,0|2,0,0]=3 638 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [1,0,0,0,0,0|2,0,1]=4 639 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [1,0,0,0,0,0|2,0,1]=4 640 B10R0.71 C=CCCC/C=C/COCC 34a_200016268473_100000210202 [1,0,0,0,0,0|0,0,3]=4 641 B10R0.71 C=CCCC/C=C/COCC 7a_200016268473_100000210202 [1,0,0,0,0,0|0,0,3]=4 642 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,0,0,0,0,0|2,0,1]=4 643 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,0,0,0,0,0|2,0,1]=4 644 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,0,0,0,0,0|2,0,1]=4 645 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,0,0,0,0,0|2,0,1]=4 646 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,0,0,0,0,0|2,0,1]=4 647 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,0,0,0,0,0|2,0,1]=4 648 B10R0.71 CCC/C=C/C=C/COCC 34a_100016294078_100000210202 [1,0,0,0,0,0|0,0,3]=4 649 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,0,0,0,0,0|2,0,1]=4 650 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,0,0,0,0,0|2,0,1]=4 651 B10R0.71 CCC=CC=NNCCCC 4a_100025702795_100011216943 [1,0,0,0,0,0|3,0,0]=4 652 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [1,0,0,0,0,0|2,0,1]=4 653 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [1,0,0,0,0,0|2,0,1]=4 654 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [1,0,0,0,0,0|0,0,3]=4 655 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [1,0,0,0,0,0|0,0,3]=4 656 B10R0.71 CCCC=CC=NNCCC 4a_100000740057_100016266791 [1,0,0,0,0,0|3,0,0]=4 657 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [1,0,0,0,0,0|3,0,0]=4 658 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [1,0,0,0,0,0|0,0,1]=2 659 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [1,0,0,0,0,0|0,0,1]=2 660 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [1,0,0,0,0,0|1,0,1]=3 661 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [1,0,0,0,0,0|1,0,1]=3 662 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,0,0,0,0,0|2,0,1]=4 663 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,0,0,0,0,0|2,0,1]=4 664 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,0,0,0,0,0|2,0,1]=4 665 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,0,0,0,0,0|2,0,1]=4 666 B10R0.71 CCCCC=CC=NNCC 4a_100000756455_100016268198 [1,0,0,0,0,0|2,0,1]=4 667 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [1,0,0,0,0,0|0,0,3]=4 668 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [1,0,0,0,0,0|0,0,3]=4 669 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [1,0,0,0,0,0|0,0,3]=4 670 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,0,0,0,0,0|2,0,1]=4 671 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,0,0,0,0,0|2,0,1]=4 672 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,0,0,0,0,0|2,0,1]=4 673 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,0,0,0,0,0|2,0,1]=4 674 B10R0.71 CCCCCC=NNCCC 4a_100000740057_100000737632 [1,0,0,0,0,0|3,0,0]=4 675 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [1,0,0,0,0,0|2,0,1]=4 676 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,0,0,0,0,0|0,0,3]=4 677 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,0,0,0,0,0|0,0,3]=4 678 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,0,0,0,0,0|0,0,3]=4 679 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,0,0,0,0,0|1,0,2]=4 680 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,0,0,0,0,0|1,0,2]=4 681 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,0,0,0,0,0|1,0,2]=4 682 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,0,0,0,0,0|1,0,2]=4 683 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,0,0,0,0,0|1,0,2]=4 684 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,0,0,0,0,0|1,0,2]=4 685 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,0,0,0,0,0|1,0,2]=4 686 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,0,0,0,0,0|1,0,2]=4 687 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,0,0,0,0,0|1,0,2]=4 688 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,0,0,0,0,0|1,0,2]=4 689 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,0,0,0,0,0|1,0,2]=4 690 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,0,0,0,0,0|1,0,2]=4 691 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,0,0,0,0,0|1,0,2]=4 692 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,0,0,0,0,0|1,0,2]=4 693 B10R0.74 C#CCNC/C=C/C(=O)OC 34a_100000212058_100000742655 [1,0,0,0,0,0|1,0,2]=4 694 B10R0.74 C#CCOC/C=C/C(=O)OC 34a_100000210247_100000742655 [1,0,0,0,0,0|1,0,2]=4 695 B10R0.74 C#CCSC/C=C/C(=O)OC 62a_100000038162_100000742655 [1,0,0,0,0,0|1,0,2]=4 696 B10R0.74 C=CCNC/C=C/C(=O)OC 2230a_100020586998_100000742655 [1,0,0,0,0,0|1,0,2]=4 697 B10R0.74 C=CCOC/C=C/C(=O)OC 34a_200000210373_100000742655 [1,0,0,0,0,0|1,0,2]=4 698 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000210623_100000742655 [1,0,0,0,0,0|1,0,2]=4 699 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000742655_100000210623 [1,0,0,0,0,0|1,0,2]=4 700 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [1,0,0,0,0,0|1,0,2]=4 701 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [1,0,0,0,0,0|1,0,2]=4 702 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [1,0,0,0,0,0|1,0,2]=4 703 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [1,0,0,0,0,0|1,0,2]=4 704 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [1,0,0,0,0,0|2,0,1]=4 705 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [1,0,0,0,0,0|2,0,1]=4 706 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [1,0,0,0,0,0|2,0,1]=4 707 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [1,0,0,0,0,0|2,0,1]=4 708 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [1,0,0,0,0,0|2,0,1]=4 709 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [1,0,0,0,0,0|2,0,1]=4 710 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [1,0,0,0,0,0|2,0,1]=4 711 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [1,0,0,0,0,0|2,0,1]=4 712 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [1,0,0,0,0,0|2,0,1]=4 713 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [1,0,0,0,0,0|2,0,1]=4 714 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [1,0,0,0,0,0|2,0,1]=4 715 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [1,0,0,0,0,0|2,0,1]=4 716 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [1,0,0,0,0,0|2,0,1]=4 717 B10R0.74 CCC(=O)NNCCCOC 22a_100025702787_100000210414 [1,0,0,0,0,0|3,0,0]=4 718 B10R0.74 CCC/C=C/C=CC(=O)CC 1458a_200016258893_100000210202 [1,0,0,0,0,0|0,0,2]=3 719 B10R0.74 CCC/C=C/C=CC(=O)CF 1458a_200016258893_100015361967 [1,0,0,0,0,0|1,0,2]=4 720 B10R0.74 CCC/C=C/C=CC(=O)NC 11a_106832991635_200016258893 [1,0,0,0,0,0|1,0,2]=4 721 B10R0.74 CCC/C=C/C=CC(=O)NC 1626a_100102657272_200016258893 [1,0,0,0,0,0|1,0,2]=4 722 B10R0.74 CCC/C=C/C=CC(=O)NC 240690a_100102657272_200016258893 [1,0,0,0,0,0|1,0,2]=4 723 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [1,0,0,0,0,0|0,0,2]=3 724 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [1,0,0,0,0,0|1,0,2]=4 725 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [1,0,0,0,0,0|1,0,2]=4 726 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [1,0,0,0,0,0|1,0,2]=4 727 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [1,0,0,0,0,0|1,0,2]=4 728 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [1,0,0,0,0,0|1,0,2]=4 729 B10R0.74 CCCCC=NNC(=O)CC 4a_100000183195_100000210104 [1,0,0,0,0,0|2,0,1]=4 730 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [1,0,0,0,0,0|0,0,2]=3 731 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [1,0,0,0,0,0|1,0,2]=4 732 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [1,0,0,0,0,0|1,0,2]=4 733 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [1,0,0,0,0,0|0,0,0]=1 734 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [1,0,0,0,0,0|1,0,0]=2 735 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [1,0,0,0,0,0|1,0,0]=2 736 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [1,0,0,0,0,0|1,0,0]=2 737 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [1,0,0,0,0,0|1,0,0]=2 738 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,0,0,0,0,0|0,0,2]=3 739 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,0,0,0,0,0|0,0,2]=3 740 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [1,0,0,0,0,0|1,0,2]=4 741 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,0,0,0,0,0|1,0,2]=4 742 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [1,0,0,0,0,0|1,0,2]=4 743 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [1,0,0,0,0,0|1,0,2]=4 744 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [1,0,0,0,0,0|1,0,2]=4 745 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [1,0,0,0,0,0|1,0,2]=4 746 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [1,0,0,0,0,0|1,0,1]=3 747 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [1,0,0,0,0,0|1,0,1]=3 748 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [1,0,0,0,0,0|1,0,1]=3 749 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [1,0,0,0,0,0|1,0,1]=3 750 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [1,0,0,0,0,0|2,0,1]=4 751 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [1,0,0,0,0,0|2,0,1]=4 752 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [1,0,0,0,0,0|2,0,1]=4 753 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [1,0,0,0,0,0|2,0,1]=4 754 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [1,0,0,0,0,0|2,0,1]=4 755 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [1,0,0,0,0,0|2,0,1]=4 756 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [1,0,0,0,0,0|2,0,1]=4 757 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [1,0,0,0,0,0|2,0,1]=4 758 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [1,0,0,0,0,0|2,0,1]=4 759 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [1,0,0,0,0,0|2,0,1]=4 760 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [1,0,0,0,0,0|1,0,1]=3 761 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [1,0,0,0,0,0|2,0,0]=3 762 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [1,0,0,0,0,0|3,0,0]=4 763 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [1,0,0,0,0,0|3,0,0]=4 764 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [1,0,0,0,0,0|3,0,0]=4 765 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [1,0,0,0,0,0|3,0,0]=4 766 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [1,0,0,0,0,0|1,0,1]=3 767 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [1,0,0,0,0,0|1,0,1]=3 768 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [1,0,0,0,0,0|2,0,1]=4 769 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [1,0,0,0,0,0|2,0,1]=4 770 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [1,0,0,0,0,0|2,0,1]=4 771 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [1,0,0,0,0,0|1,0,1]=3 772 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [1,0,0,0,0,0|1,0,1]=3 773 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [1,0,0,0,0,0|1,0,1]=3 774 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [1,0,0,0,0,0|1,0,1]=3 775 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [1,0,0,0,0,0|2,0,1]=4 776 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [1,0,0,0,0,0|2,0,1]=4 777 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [1,0,0,0,0,0|1,0,1]=3 778 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [1,0,0,0,0,0|1,0,1]=3 779 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [1,0,0,0,0,0|1,0,2]=4 780 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [1,0,0,0,0,0|1,0,2]=4 781 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [1,0,0,0,0,0|2,0,0]=3 782 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [1,0,0,0,0,0|1,0,2]=4 783 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [1,0,0,0,0,0|1,0,2]=4 784 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [1,0,0,0,0,0|1,0,2]=4 785 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [1,0,0,0,0,0|1,0,2]=4 786 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [1,0,0,0,0,0|1,0,2]=4 787 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [1,0,0,0,0,0|2,0,1]=4 788 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [1,0,0,0,0,0|2,0,1]=4 789 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [1,0,0,0,0,0|2,0,1]=4 790 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [1,0,0,0,0,0|1,0,0]=2 791 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [1,0,0,0,0,0|1,0,2]=4 792 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [1,0,0,0,0,0|2,0,1]=4 793 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [1,0,0,0,0,0|2,0,1]=4 794 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [1,0,0,0,0,0|2,0,1]=4 795 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [1,0,0,0,0,0|2,0,1]=4 796 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [1,0,0,0,0,0|2,0,1]=4 797 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [1,0,0,0,0,0|2,0,1]=4 798 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [1,0,0,0,0,0|2,0,1]=4 799 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [1,0,0,0,0,0|2,0,1]=4 800 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [1,0,0,0,0,0|1,0,0]=2 801 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [1,0,0,0,0,0|1,0,0]=2 802 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [1,0,0,0,0,0|1,0,2]=4 803 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [1,0,0,0,0,0|1,0,2]=4 804 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [1,0,0,0,0,0|2,0,1]=4 805 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [1,0,0,0,0,0|2,0,1]=4 806 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [1,0,0,0,0,0|2,0,1]=4 807 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [1,0,0,0,0,0|1,0,2]=4 808 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [1,0,0,0,0,0|2,0,1]=4 809 B10R0.74 CCNN=CC=CC(=O)OC 4a_100000756455_100016254430 [1,0,0,0,0,0|2,0,1]=4 810 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [1,0,0,0,0,0|1,0,2]=4 811 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [1,0,0,0,0,0|1,0,2]=4 812 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [1,0,0,0,0,0|1,0,2]=4 813 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [1,0,0,0,0,0|2,0,1]=4 814 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [1,0,0,0,0,0|2,0,1]=4 815 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [1,0,0,0,0,0|2,0,1]=4 816 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [1,0,0,0,0,0|2,0,1]=4 817 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [1,0,0,0,0,0|2,0,1]=4 818 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [1,0,0,0,0,0|2,0,1]=4 819 B10R0.74 CCOCCNNC(=O)CC 22a_100000732670_100000210414 [1,0,0,0,0,0|3,0,0]=4 820 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [1,0,0,0,0,0|2,0,1]=4 821 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [1,0,0,0,0,0|2,0,1]=4 822 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [1,0,0,0,0,0|2,0,1]=4 823 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [1,0,0,0,0,0|2,0,1]=4 824 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [1,0,0,0,0,0|2,0,1]=4 825 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [1,0,0,0,0,0|2,0,1]=4 826 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [1,0,0,0,0,0|2,0,1]=4 827 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [1,0,0,0,0,0|2,0,1]=4 828 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [1,0,0,0,0,0|2,0,1]=4 829 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [1,0,0,0,0,0|1,0,2]=4 830 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [1,0,0,0,0,0|1,0,2]=4 831 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [1,0,0,0,0,0|2,0,1]=4 832 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [1,0,0,0,0,0|2,0,1]=4 833 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [1,0,0,0,0,0|2,0,1]=4 834 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [1,0,0,0,0,0|2,0,1]=4 835 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [1,0,0,0,0,0|2,0,1]=4 836 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [1,0,0,0,0,0|2,0,1]=4 837 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [1,0,0,0,0,0|2,0,1]=4 838 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [1,0,0,0,0,0|2,0,1]=4 839 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [1,0,0,0,0,0|2,0,1]=4 840 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [1,0,0,0,0,0|2,0,1]=4 841 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [1,0,0,0,0,0|2,0,1]=4 842 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [1,0,0,0,0,0|1,0,2]=4 843 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [1,0,0,0,0,0|1,0,2]=4 844 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [1,0,0,0,0,0|1,0,2]=4 845 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [1,0,0,0,0,0|2,0,1]=4 846 B10R0.74 COC(=O)/C=C/CNCCF 34a_100000724931_100000742655 [1,0,0,0,0,0|2,0,0]=3 847 B10R0.74 COC(=O)/C=C/CNCCO 2230a_100016997473_100000742655 [1,0,0,0,0,0|2,0,0]=3 848 B10R0.74 COC(=O)/C=C/CNCCO 34a_100016990907_100000742655 [1,0,0,0,0,0|2,0,0]=3 849 B10R0.74 COC(=O)/C=C/COCCBr 34a_100000211926_100000742655 [1,0,0,0,0,0|2,0,0]=3 850 B10R0.74 COC(=O)/C=C/COCCN 34a_100000210304_100000742655 [1,0,0,0,0,0|2,0,0]=3 851 B10R0.74 COC(=O)/C=C/CSCC#N 62a_100000742655_100011215382 [1,0,0,0,0,0|2,0,1]=4 852 B10R0.74 COC(=O)/C=C/CSCC#N 62a_100011215382_100000742655 [1,0,0,0,0,0|2,0,1]=4 853 B10R0.74 COC(=O)/C=C/CSCC=O 62a_100000742655_200015260668 [1,0,0,0,0,0|2,0,1]=4 854 B10R0.74 COC(=O)/C=C/CSCC=O 62a_200015260668_100000742655 [1,0,0,0,0,0|2,0,1]=4 855 B10R0.74 COC(=O)/C=C/CSCCF 62a_100000742655_100011217306 [1,0,0,0,0,0|2,0,0]=3 856 B10R0.74 COC(=O)/C=C/CSCCF 62a_100011217306_100000742655 [1,0,0,0,0,0|2,0,0]=3 857 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000211926_100000742655 [1,0,0,0,0,0|2,0,0]=3 858 B10R0.74 COC(=O)/C=C/CSCCO 62a_100000742655_100000211926 [1,0,0,0,0,0|2,0,0]=3 859 B10R0.74 COC(=O)/C=C/CSCSC 62a_100000742655_100011218213 [1,0,0,0,0,0|2,0,0]=3 860 B10R0.74 COC(=O)/C=C/CSCSC 62a_100011218213_100000742655 [1,0,0,0,0,0|2,0,0]=3 861 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [1,0,0,0,0,0|1,0,2]=4 862 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [1,0,0,0,0,0|1,0,2]=4 863 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [1,0,0,0,0,0|1,0,2]=4 864 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [1,0,0,0,0,0|1,0,2]=4 865 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [1,0,0,0,0,0|1,0,2]=4 866 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [1,0,0,0,0,0|1,0,2]=4 867 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [1,0,0,0,0,0|2,0,1]=4 868 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [1,0,0,0,0,0|2,0,1]=4 869 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [1,0,0,0,0,0|2,0,1]=4 870 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [1,0,0,0,0,0|2,0,1]=4 871 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [1,0,0,0,0,0|2,0,1]=4 872 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [1,0,0,0,0,0|2,0,1]=4 873 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [1,0,0,0,0,0|2,0,1]=4 874 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [1,0,0,0,0,0|2,0,1]=4 875 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [1,0,0,0,0,0|2,0,1]=4 876 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [1,0,0,0,0,0|2,0,1]=4 877 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [1,0,0,0,0,0|2,0,1]=4 878 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [1,0,0,0,0,0|2,0,1]=4 879 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [1,0,0,0,0,0|2,0,1]=4 880 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [1,0,0,0,0,0|2,0,1]=4 881 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [1,0,0,0,0,0|2,0,1]=4 882 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [1,0,0,0,0,0|2,0,1]=4 883 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [1,0,0,0,0,0|1,0,2]=4 884 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [1,0,0,0,0,0|1,0,2]=4 885 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [1,0,0,0,0,0|1,0,2]=4 886 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [1,0,0,0,0,0|2,0,1]=4 887 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [1,0,0,0,0,0|2,0,1]=4 888 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [1,0,0,0,0,0|2,0,1]=4 889 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [1,0,0,0,0,0|2,0,1]=4 890 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000742655_100000766300 [1,0,0,0,0,0|2,0,0]=3 891 B10R0.74 COCSC/C=C/C(=O)OC 62a_100000766300_100000742655 [1,0,0,0,0,0|2,0,0]=3 892 B12R0.1 C#CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000184674 [0,1,0,0,0,0|1,0,2]=4 893 B12R0.1 C#CCC(=O)C=CCCCCCC 1458a_200015324643_100000184674 [0,1,0,0,0,0|1,0,2]=4 894 B12R0.1 C#CCCCCNCC(=O)OCC 2230a_100000706060_100000188475 [0,1,0,0,0,0|1,0,2]=4 895 B12R0.1 C#CCCCCNCC(=O)OCC 34a_100000706060_100000188475 [0,1,0,0,0,0|1,0,2]=4 896 B12R0.1 C#CCCCCOCC(=O)OCC 34a_100000766709_100000188475 [0,1,0,0,0,0|1,0,2]=4 897 B12R0.1 C#CCCCCOCC(=O)OCC 7a_100000766709_100000188475 [0,1,0,0,0,0|1,0,2]=4 898 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100000188475_100010269958 [0,1,0,0,0,0|1,0,2]=4 899 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100010269958_100000188475 [0,1,0,0,0,0|1,0,2]=4 900 B12R0.1 C#CCCNC/C=C/C(=O)OCC 34a_100000755551_100016267167 [0,1,0,0,0,0|0,0,2]=3 901 B12R0.1 C#CCCOC/C=C/C(=O)OCC 34a_100011215631_100016267167 [0,1,0,0,0,0|0,0,2]=3 902 B12R0.1 C#CCCSC/C=C/C(=O)OCC 62a_100000688953_100016267167 [0,1,0,0,0,0|0,0,2]=3 903 B12R0.1 C#CCCSC/C=C/C(=O)OCC 62a_100016267167_100000688953 [0,1,0,0,0,0|0,0,2]=3 904 B12R0.1 C/C=C/COC/C=C/C(=O)OCC 34a_100016270725_100016267167 [0,1,0,0,0,0|0,0,2]=3 905 B12R0.1 C/C=C/CSC/C=C/C(=O)OCC 62a_100016267167_100102629194 [0,1,0,0,0,0|0,0,2]=3 906 B12R0.1 C/C=C/CSC/C=C/C(=O)OCC 62a_100102629194_100016267167 [0,1,0,0,0,0|0,0,2]=3 907 B12R0.1 C=CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000210623 [0,1,0,0,0,0|1,0,2]=4 908 B12R0.1 C=CCC(=O)C=CCCCCCC 1458a_200015324643_100000210623 [0,1,0,0,0,0|1,0,2]=4 909 B12R0.1 C=CCCCCNCC(=O)OCC 2230a_100000703577_100000188475 [0,1,0,0,0,0|1,0,2]=4 910 B12R0.1 C=CCCCCNCC(=O)OCC 34a_100000703577_100000188475 [0,1,0,0,0,0|1,0,2]=4 911 B12R0.1 C=CCCCCOCC(=O)OCC 34a_100000766645_100000188475 [0,1,0,0,0,0|1,0,2]=4 912 B12R0.1 C=CCCCCOCC(=O)OCC 7a_100000766645_100000188475 [0,1,0,0,0,0|1,0,2]=4 913 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100000188475_100011215482 [0,1,0,0,0,0|1,0,2]=4 914 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100011215482_100000188475 [0,1,0,0,0,0|1,0,2]=4 915 B12R0.1 C=CCCNC/C=C/C(=O)OCC 2230a_100015191253_100016267167 [0,1,0,0,0,0|0,0,2]=3 916 B12R0.1 C=CCCOC/C=C/C(=O)OCC 34a_100011205117_100016267167 [0,1,0,0,0,0|0,0,2]=3 917 B12R0.1 C=CCCSC/C=C/C(=O)OCC 62a_100000754431_100016267167 [0,1,0,0,0,0|0,0,2]=3 918 B12R0.1 C=CCCSC/C=C/C(=O)OCC 62a_100016267167_100000754431 [0,1,0,0,0,0|0,0,2]=3 919 B12R0.1 CC#CCNC/C=C/C(=O)OCC 2230a_100000685387_100016267167 [0,1,0,0,0,0|0,0,2]=3 920 B12R0.1 CC#CCNC/C=C/C(=O)OCC 34a_100000685387_100016267167 [0,1,0,0,0,0|0,0,2]=3 921 B12R0.1 CC#CCOC/C=C/C(=O)OCC 34a_100000761923_100016267167 [0,1,0,0,0,0|0,0,2]=3 922 B12R0.1 CC#CCSC/C=C/C(=O)OCC 62a_100000748600_100016267167 [0,1,0,0,0,0|0,0,2]=3 923 B12R0.1 CC#CCSC/C=C/C(=O)OCC 62a_100016267167_100000748600 [0,1,0,0,0,0|0,0,2]=3 924 B12R0.1 CC/C=C(\C)/C=NNCCCCC 4a_100000694160_100020678925 [0,1,0,0,0,0|3,0,0]=4 925 B12R0.1 CC/C=C\CCOCC(=O)OCC 34a_100016288707_100000188475 [0,1,0,0,0,0|1,0,2]=4 926 B12R0.1 CC/C=C\CCOCC(=O)OCC 7a_100016288707_100000188475 [0,1,0,0,0,0|1,0,2]=4 927 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100000188475_100015370543 [0,1,0,0,0,0|1,0,2]=4 928 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100015370543_100000188475 [0,1,0,0,0,0|1,0,2]=4 929 B12R0.1 CC=CCCCOCC(=O)OCC 34a_100020645299_100000188475 [0,1,0,0,0,0|1,0,2]=4 930 B12R0.1 CC=CCSC/C=C/C(=O)OCC 62a_100000070051_100016267167 [0,1,0,0,0,0|0,0,2]=3 931 B12R0.1 CC=CCSC/C=C/C(=O)OCC 62a_100016267167_100000070051 [0,1,0,0,0,0|0,0,2]=3 932 B12R0.1 CCC#CCCOCC(=O)OCC 34a_100000036655_100000188475 [0,1,0,0,0,0|1,0,2]=4 933 B12R0.1 CCC#CCCOCC(=O)OCC 7a_100000036655_100000188475 [0,1,0,0,0,0|1,0,2]=4 934 B12R0.1 CCC/C=C/COCC(=O)OCC 34a_100016278788_100000188475 [0,1,0,0,0,0|1,0,2]=4 935 B12R0.1 CCC/C=C/COCC(=O)OCC 7a_100016278788_100000188475 [0,1,0,0,0,0|1,0,2]=4 936 B12R0.1 CCCC#CCOCC(=O)OCC 34a_100000034806_100000188475 [0,1,0,0,0,0|1,0,2]=4 937 B12R0.1 CCCC#CCOCC(=O)OCC 7a_100000034806_100000188475 [0,1,0,0,0,0|1,0,2]=4 938 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,1,0,0,0,0|1,0,2]=4 939 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,1,0,0,0,0|1,0,2]=4 940 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,1,0,0,0,0|1,0,2]=4 941 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [0,1,0,0,0,0|2,0,1]=4 942 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [0,1,0,0,0,0|2,0,1]=4 943 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,1,0,0,0,0|2,0,1]=4 944 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,1,0,0,0,0|2,0,1]=4 945 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,1,0,0,0,0|2,0,1]=4 946 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [0,1,0,0,0,0|2,0,1]=4 947 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [0,1,0,0,0,0|2,0,1]=4 948 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [0,1,0,0,0,0|2,0,1]=4 949 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [0,1,0,0,0,0|2,0,1]=4 950 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [0,1,0,0,0,0|2,0,1]=4 951 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [0,1,0,0,0,0|2,0,1]=4 952 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [0,1,0,0,0,0|2,0,1]=4 953 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [0,1,0,0,0,0|2,0,1]=4 954 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [0,1,0,0,0,0|2,0,1]=4 955 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [0,1,0,0,0,0|2,0,1]=4 956 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [0,1,0,0,0,0|2,0,1]=4 957 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,1,0,0,0,0|2,0,1]=4 958 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,1,0,0,0,0|2,0,1]=4 959 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [0,1,0,0,0,0|2,0,1]=4 960 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [0,1,0,0,0,0|2,0,1]=4 961 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [0,1,0,0,0,0|2,0,1]=4 962 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [0,1,0,0,0,0|2,0,1]=4 963 B12R0.1 CCCC(=O)NN=CCCCCO 4a_100000189770_100000031955 [0,1,0,0,0,0|3,0,0]=4 964 B12R0.1 CCCCC/C=C/CC(=O)CC#N 1458a_100020675968_100011214920 [0,1,0,0,0,0|2,0,1]=4 965 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,1,0,0,0,0|1,0,0]=2 966 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [0,1,0,0,0,0|2,0,0]=3 967 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,1,0,0,0,0|2,0,0]=3 968 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [0,1,0,0,0,0|1,0,0]=2 969 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [0,1,0,0,0,0|1,0,0]=2 970 B12R0.1 CCCCC/C=C/CC(=O)NNC 22a_100016993582_100020675968 [0,1,0,0,0,0|2,0,0]=3 971 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [0,1,0,0,0,0|1,0,2]=4 972 B12R0.1 CCCCCC=NNC(=O)CCC 4a_100000189770_100000737632 [0,1,0,0,0,0|2,0,0]=3 973 B12R0.1 CCCCCC=NNC(=O)COC 4a_100000216845_100000737632 [0,1,0,0,0,0|3,0,0]=4 974 B12R0.1 CCCCCCC=CC(=O)CC#N 1458a_200015324643_100011214920 [0,1,0,0,0,0|2,0,1]=4 975 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,1,0,0,0,0|1,0,0]=2 976 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,1,0,0,0,0|2,0,0]=3 977 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,1,0,0,0,0|2,0,0]=3 978 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,1,0,0,0,0|1,0,0]=2 979 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,1,0,0,0,0|1,0,0]=2 980 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [0,1,0,0,0,0|2,0,0]=3 981 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,1,0,0,0,0|1,0,2]=4 982 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,1,0,0,0,0|1,0,2]=4 983 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,1,0,0,0,0|1,0,2]=4 984 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,1,0,0,0,0|1,0,2]=4 985 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,1,0,0,0,0|1,0,2]=4 986 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,1,0,0,0,0|1,0,2]=4 987 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,1,0,0,0,0|1,0,2]=4 988 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,1,0,0,0,0|1,0,2]=4 989 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,1,0,0,0,0|1,0,2]=4 990 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,1,0,0,0,0|1,0,2]=4 991 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,1,0,0,0,0|1,0,2]=4 992 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,1,0,0,0,0|1,0,2]=4 993 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,1,0,0,0,0|1,0,2]=4 994 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,1,0,0,0,0|1,0,2]=4 995 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,1,0,0,0,0|1,0,2]=4 996 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,1,0,0,0,0|1,0,2]=4 997 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,1,0,0,0,0|1,0,2]=4 998 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,1,0,0,0,0|1,0,2]=4 999 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,1,0,0,0,0|0,0,2]=3 1000 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,1,0,0,0,0|1,0,2]=4 1001 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,1,0,0,0,0|1,0,2]=4 1002 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,1,0,0,0,0|1,0,2]=4 1003 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,1,0,0,0,0|0,0,2]=3 1004 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,1,0,0,0,0|0,0,2]=3 1005 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,1,0,0,0,0|1,0,2]=4 1006 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,1,0,0,0,0|1,0,2]=4 1007 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,1,0,0,0,0|1,0,2]=4 1008 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,1,0,0,0,0|1,0,2]=4 1009 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,1,0,0,0,0|0,0,2]=3 1010 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,1,0,0,0,0|0,0,2]=3 1011 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,1,0,0,0,0|1,0,2]=4 1012 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,1,0,0,0,0|1,0,2]=4 1013 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,1,0,0,0,0|0,0,2]=3 1014 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,1,0,0,0,0|2,0,1]=4 1015 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [0,1,0,0,0,0|1,0,0]=2 1016 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,1,0,0,0,0|1,0,2]=4 1017 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,1,0,0,0,0|0,0,2]=3 1018 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,1,0,0,0,0|0,0,2]=3 1019 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,1,0,0,0,0|2,0,1]=4 1020 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,1,0,0,0,0|1,0,2]=4 1021 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,1,0,0,0,0|1,0,2]=4 1022 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,1,0,0,0,0|0,0,2]=3 1023 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,1,0,0,0,0|0,0,2]=3 1024 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,1,0,0,0,0|2,0,1]=4 1025 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,1,0,0,0,0|1,0,1]=3 1026 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [0,1,0,0,0,0|0,0,0]=1 1027 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [0,1,0,0,0,0|0,0,0]=1 1028 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,1,0,0,0,0|0,0,2]=3 1029 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,1,0,0,0,0|0,0,2]=3 1030 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,1,0,0,0,0|1,0,1]=3 1031 B12R0.1 CCCCNN=C[CH-]C(=O)OCC 4a_100025702795_100010622808 [0,1,0,0,0,0|1,0,1]=3 1032 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [0,1,0,0,0,0|0,0,0]=1 1033 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [0,1,0,0,0,0|0,0,0]=1 1034 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,1,0,0,0,0|0,0,2]=3 1035 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,1,0,0,0,0|0,0,2]=3 1036 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,1,0,0,0,0|0,0,2]=3 1037 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,1,0,0,0,0|1,0,1]=3 1038 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,1,0,0,0,0|1,0,1]=3 1039 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [0,1,0,0,0,0|2,0,1]=4 1040 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [0,1,0,0,0,0|2,0,1]=4 1041 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [0,1,0,0,0,0|2,0,1]=4 1042 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [0,1,0,0,0,0|2,0,1]=4 1043 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [0,1,0,0,0,0|2,0,1]=4 1044 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [0,1,0,0,0,0|1,0,1]=3 1045 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [0,1,0,0,0,0|1,0,1]=3 1046 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [0,1,0,0,0,0|0,0,0]=1 1047 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [0,1,0,0,0,0|0,0,0]=1 1048 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,1,0,0,0,0|0,0,2]=3 1049 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,1,0,0,0,0|0,0,2]=3 1050 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [0,1,0,0,0,0|2,0,1]=4 1051 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [0,1,0,0,0,0|2,0,1]=4 1052 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [0,1,0,0,0,0|2,0,1]=4 1053 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [0,1,0,0,0,0|2,0,1]=4 1054 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [0,1,0,0,0,0|2,0,1]=4 1055 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [0,1,0,0,0,0|2,0,1]=4 1056 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [0,1,0,0,0,0|2,0,1]=4 1057 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [0,1,0,0,0,0|2,0,1]=4 1058 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [0,1,0,0,0,0|2,0,1]=4 1059 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [0,1,0,0,0,0|2,0,1]=4 1060 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,1,0,0,0,0|1,0,1]=3 1061 B12R0.1 CCCNN=CC=CC(=O)OCC 4a_100000740057_100016289910 [0,1,0,0,0,0|1,0,1]=3 1062 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,1,0,0,0,0|0,0,2]=3 1063 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [0,1,0,0,0,0|2,0,1]=4 1064 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [0,1,0,0,0,0|2,0,1]=4 1065 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [0,1,0,0,0,0|2,0,1]=4 1066 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [0,1,0,0,0,0|2,0,1]=4 1067 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [0,1,0,0,0,0|2,0,1]=4 1068 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [0,1,0,0,0,0|2,0,1]=4 1069 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [0,1,0,0,0,0|2,0,1]=4 1070 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [0,1,0,0,0,0|2,0,1]=4 1071 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [0,1,0,0,0,0|2,0,1]=4 1072 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [0,1,0,0,0,0|2,0,1]=4 1073 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100016988866_100011215938 [0,1,0,0,0,0|2,0,1]=4 1074 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100161115042_100000183381 [0,1,0,0,0,0|2,0,1]=4 1075 B12R0.1 CCCOCCNCC(=O)NCC 34a_100161115042_100000183381 [0,1,0,0,0,0|2,0,1]=4 1076 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [0,1,0,0,0,0|1,0,1]=3 1077 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [0,1,0,0,0,0|1,0,1]=3 1078 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [0,1,0,0,0,0|2,0,1]=4 1079 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [0,1,0,0,0,0|2,0,1]=4 1080 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [0,1,0,0,0,0|2,0,1]=4 1081 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,1,0,0,0,0|1,0,1]=3 1082 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,1,0,0,0,0|1,0,1]=3 1083 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,1,0,0,0,0|1,0,1]=3 1084 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [0,1,0,0,0,0|2,0,1]=4 1085 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [0,1,0,0,0,0|2,0,1]=4 1086 B12R0.1 CCCOCCSCC(=O)NCC 62a_100000183381_100011215938 [0,1,0,0,0,0|2,0,1]=4 1087 B12R0.1 CCCOCCSCC(=O)NCC 62a_100011215938_100000183381 [0,1,0,0,0,0|2,0,1]=4 1088 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [0,1,0,0,0,0|1,0,1]=3 1089 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [0,1,0,0,0,0|1,0,1]=3 1090 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [0,1,0,0,0,0|1,0,1]=3 1091 B12R0.1 CCCSCC=NNC(=O)OCC 62a_100000210303_100015372823 [0,1,0,0,0,0|2,0,0]=3 1092 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,1,0,0,0,0|0,0,2]=3 1093 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,1,0,0,0,0|0,0,2]=3 1094 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [0,1,0,0,0,0|2,0,1]=4 1095 B12R0.1 CCCSCCNCC(=O)NCC 2230a_100020603323_100000183381 [0,1,0,0,0,0|2,0,1]=4 1096 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [0,1,0,0,0,0|1,0,1]=3 1097 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [0,1,0,0,0,0|2,0,1]=4 1098 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [0,1,0,0,0,0|2,0,1]=4 1099 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [0,1,0,0,0,0|2,0,1]=4 1100 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,1,0,0,0,0|1,0,1]=3 1101 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,1,0,0,0,0|1,0,1]=3 1102 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,1,0,0,0,0|1,0,1]=3 1103 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,1,0,0,0,0|1,0,1]=3 1104 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,1,0,0,0,0|1,0,2]=4 1105 B12R0.1 CCNC(=O)CNCCCCCF 2230a_100016988866_100000729378 [0,1,0,0,0,0|2,0,1]=4 1106 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [0,1,0,0,0,0|2,0,1]=4 1107 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [0,1,0,0,0,0|2,0,1]=4 1108 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [0,1,0,0,0,0|2,0,1]=4 1109 B12R0.1 CCNC(=O)CNCCCCOC 2230a_100016988866_100000730899 [0,1,0,0,0,0|2,0,1]=4 1110 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100000210961_100000183381 [0,1,0,0,0,0|2,0,1]=4 1111 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100016988866_100012232248 [0,1,0,0,0,0|2,0,1]=4 1112 B12R0.1 CCNC(=O)CNCCCOCC 34a_100000210961_100000183381 [0,1,0,0,0,0|2,0,1]=4 1113 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [0,1,0,0,0,0|2,0,1]=4 1114 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [0,1,0,0,0,0|2,0,1]=4 1115 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [0,1,0,0,0,0|2,0,1]=4 1116 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [0,1,0,0,0,0|2,0,1]=4 1117 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [0,1,0,0,0,0|2,0,1]=4 1118 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [0,1,0,0,0,0|2,0,1]=4 1119 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [0,1,0,0,0,0|2,0,1]=4 1120 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [0,1,0,0,0,0|2,0,1]=4 1121 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [0,1,0,0,0,0|2,0,1]=4 1122 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [0,1,0,0,0,0|2,0,1]=4 1123 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [0,1,0,0,0,0|2,0,1]=4 1124 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [0,1,0,0,0,0|2,0,1]=4 1125 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [0,1,0,0,0,0|2,0,1]=4 1126 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [0,1,0,0,0,0|2,0,1]=4 1127 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000183381_100000729378 [0,1,0,0,0,0|2,0,1]=4 1128 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000729378_100000183381 [0,1,0,0,0,0|2,0,1]=4 1129 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [0,1,0,0,0,0|2,0,1]=4 1130 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [0,1,0,0,0,0|2,0,1]=4 1131 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000183381_100000730899 [0,1,0,0,0,0|2,0,1]=4 1132 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000730899_100000183381 [0,1,0,0,0,0|2,0,1]=4 1133 B12R0.1 CCNC(=O)CSCCCOCC 62a_100000183381_100012232248 [0,1,0,0,0,0|2,0,1]=4 1134 B12R0.1 CCNC(=O)CSCCCOCC 62a_100012232248_100000183381 [0,1,0,0,0,0|2,0,1]=4 1135 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,1,0,0,0,0|2,0,1]=4 1136 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,1,0,0,0,0|2,0,1]=4 1137 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,1,0,0,0,0|2,0,1]=4 1138 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,1,0,0,0,0|2,0,1]=4 1139 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,1,0,0,0,0|2,0,1]=4 1140 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [0,1,0,0,0,0|2,0,1]=4 1141 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [0,1,0,0,0,0|2,0,1]=4 1142 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [0,1,0,0,0,0|2,0,1]=4 1143 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [0,1,0,0,0,0|2,0,1]=4 1144 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [0,1,0,0,0,0|2,0,1]=4 1145 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [0,1,0,0,0,0|2,0,1]=4 1146 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,1,0,0,0,0|0,0,2]=3 1147 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,1,0,0,0,0|1,0,1]=3 1148 B12R0.1 CCOC(=O)/C=C/CNCCCF 2230a_100015189416_100016267167 [0,1,0,0,0,0|1,0,0]=2 1149 B12R0.1 CCOC(=O)/C=C/CNCCCF 34a_100015189416_100016267167 [0,1,0,0,0,0|1,0,0]=2 1150 B12R0.1 CCOC(=O)/C=C/CNCCOC 2230a_100000209980_100016267167 [0,1,0,0,0,0|1,0,0]=2 1151 B12R0.1 CCOC(=O)/C=C/CNCCSC 2230a_100020590264_100016267167 [0,1,0,0,0,0|1,0,0]=2 1152 B12R0.1 CCOC(=O)/C=C/COCCCBr 34a_100011217188_100016267167 [0,1,0,0,0,0|1,0,0]=2 1153 B12R0.1 CCOC(=O)/C=C/COCCCCl 34a_100000230001_100016267167 [0,1,0,0,0,0|1,0,0]=2 1154 B12R0.1 CCOC(=O)/C=C/COCCCF 34a_100000759539_100016267167 [0,1,0,0,0,0|1,0,0]=2 1155 B12R0.1 CCOC(=O)/C=C/COCCCN 34a_100000182051_100016267167 [0,1,0,0,0,0|1,0,0]=2 1156 B12R0.1 CCOC(=O)/C=C/COCCOC 34a_100000210237_100016267167 [0,1,0,0,0,0|1,0,0]=2 1157 B12R0.1 CCOC(=O)/C=C/COCCON 34a_100000700252_100016267167 [0,1,0,0,0,0|2,0,0]=3 1158 B12R0.1 CCOC(=O)/C=C/COCCSC 34a_100000230434_100016267167 [0,1,0,0,0,0|1,0,0]=2 1159 B12R0.1 CCOC(=O)/C=C/COCCSC 7a_100000230434_100016267167 [0,1,0,0,0,0|1,0,0]=2 1160 B12R0.1 CCOC(=O)/C=C/CSCCC#N 62a_100011215226_100016267167 [0,1,0,0,0,0|1,0,1]=3 1161 B12R0.1 CCOC(=O)/C=C/CSCCC#N 62a_100016267167_100011215226 [0,1,0,0,0,0|1,0,1]=3 1162 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100011934791_100016267167 [0,1,0,0,0,0|1,0,0]=2 1163 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100016267167_100011934791 [0,1,0,0,0,0|1,0,0]=2 1164 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100011215043_100016267167 [0,1,0,0,0,0|1,0,0]=2 1165 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100016267167_100011215043 [0,1,0,0,0,0|1,0,0]=2 1166 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100000233755_100016267167 [0,1,0,0,0,0|1,0,0]=2 1167 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100016267167_100000233755 [0,1,0,0,0,0|1,0,0]=2 1168 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100000212216_100016267167 [0,1,0,0,0,0|1,0,0]=2 1169 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100016267167_100000751147 [0,1,0,0,0,0|1,0,0]=2 1170 B12R0.1 CCOC(=O)/C=C/CSCSC#N 62a_100000211825_100016267167 [0,1,0,0,0,0|2,0,1]=4 1171 B12R0.1 CCOC(=O)/C=C/CSCSC#N 62a_100016267167_100000211825 [0,1,0,0,0,0|2,0,1]=4 1172 B12R0.1 CCOC(=O)C=CC=NNCCO 4a_100000210001_100016289910 [0,1,0,0,0,0|2,0,1]=4 1173 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,1,0,0,0,0|0,0,2]=3 1174 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,1,0,0,0,0|0,0,2]=3 1175 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,1,0,0,0,0|0,0,2]=3 1176 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,1,0,0,0,0|0,0,2]=3 1177 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,1,0,0,0,0|0,0,2]=3 1178 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,1,0,0,0,0|0,0,2]=3 1179 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [0,1,0,0,0,0|1,0,2]=4 1180 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,1,0,0,0,0|0,0,2]=3 1181 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,1,0,0,0,0|0,0,2]=3 1182 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [0,1,0,0,0,0|1,0,2]=4 1183 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [0,1,0,0,0,0|1,0,2]=4 1184 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [0,1,0,0,0,0|1,0,2]=4 1185 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [0,1,0,0,0,0|1,0,2]=4 1186 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [0,1,0,0,0,0|1,0,2]=4 1187 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [0,1,0,0,0,0|1,0,2]=4 1188 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [0,1,0,0,0,0|1,0,2]=4 1189 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [0,1,0,0,0,0|1,0,2]=4 1190 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [0,1,0,0,0,0|1,0,2]=4 1191 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [0,1,0,0,0,0|1,0,2]=4 1192 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [0,1,0,0,0,0|1,0,2]=4 1193 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [0,1,0,0,0,0|1,0,2]=4 1194 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [0,1,0,0,0,0|1,0,2]=4 1195 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [0,1,0,0,0,0|1,0,2]=4 1196 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [0,1,0,0,0,0|1,0,2]=4 1197 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [0,1,0,0,0,0|1,0,2]=4 1198 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [0,1,0,0,0,0|1,0,2]=4 1199 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [0,1,0,0,0,0|1,0,2]=4 1200 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [0,1,0,0,0,0|1,0,2]=4 1201 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [0,1,0,0,0,0|1,0,2]=4 1202 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [0,1,0,0,0,0|1,0,2]=4 1203 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [0,1,0,0,0,0|1,0,2]=4 1204 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [0,1,0,0,0,0|1,0,2]=4 1205 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [0,1,0,0,0,0|1,0,2]=4 1206 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [0,1,0,0,0,0|1,0,2]=4 1207 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [0,1,0,0,0,0|1,0,2]=4 1208 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [0,1,0,0,0,0|1,0,2]=4 1209 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [0,1,0,0,0,0|1,0,2]=4 1210 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [0,1,0,0,0,0|1,0,2]=4 1211 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [0,1,0,0,0,0|1,0,2]=4 1212 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [0,1,0,0,0,0|1,0,2]=4 1213 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [0,1,0,0,0,0|1,0,2]=4 1214 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [0,1,0,0,0,0|1,0,2]=4 1215 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [0,1,0,0,0,0|1,0,2]=4 1216 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [0,1,0,0,0,0|1,0,2]=4 1217 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [0,1,0,0,0,0|1,0,2]=4 1218 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [0,1,0,0,0,0|1,0,2]=4 1219 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [0,1,0,0,0,0|1,0,2]=4 1220 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [0,1,0,0,0,0|1,0,2]=4 1221 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [0,1,0,0,0,0|1,0,2]=4 1222 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [0,1,0,0,0,0|1,0,2]=4 1223 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [0,1,0,0,0,0|1,0,2]=4 1224 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [0,1,0,0,0,0|1,0,2]=4 1225 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [0,1,0,0,0,0|1,0,2]=4 1226 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [0,1,0,0,0,0|1,0,2]=4 1227 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [0,1,0,0,0,0|1,0,2]=4 1228 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [0,1,0,0,0,0|1,0,2]=4 1229 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [0,1,0,0,0,0|1,0,2]=4 1230 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [0,1,0,0,0,0|1,0,2]=4 1231 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [0,1,0,0,0,0|1,0,2]=4 1232 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [0,1,0,0,0,0|1,0,2]=4 1233 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [0,1,0,0,0,0|1,0,2]=4 1234 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [0,1,0,0,0,0|1,0,2]=4 1235 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [0,1,0,0,0,0|1,0,2]=4 1236 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [0,1,0,0,0,0|1,0,2]=4 1237 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [0,1,0,0,0,0|1,0,2]=4 1238 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [0,1,0,0,0,0|1,0,2]=4 1239 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [0,1,0,0,0,0|1,0,2]=4 1240 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [0,1,0,0,0,0|1,0,2]=4 1241 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [0,1,0,0,0,0|1,0,2]=4 1242 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [0,1,0,0,0,0|1,0,2]=4 1243 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [0,1,0,0,0,0|1,0,2]=4 1244 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [0,1,0,0,0,0|1,0,2]=4 1245 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [0,1,0,0,0,0|1,0,2]=4 1246 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [0,1,0,0,0,0|1,0,1]=3 1247 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [0,1,0,0,0,0|1,0,1]=3 1248 B12R0.1 CCOC(=O)CNCCOCCO 2230a_100000211614_100000188475 [0,1,0,0,0,0|2,0,1]=4 1249 B12R0.1 CCOC(=O)CNCCOCCO 34a_100000211614_100000188475 [0,1,0,0,0,0|2,0,1]=4 1250 B12R0.1 CCOC(=O)CNCCSCCO 2230a_100011219999_100000188475 [0,1,0,0,0,0|2,0,1]=4 1251 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [0,1,0,0,0,0|1,0,1]=3 1252 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [0,1,0,0,0,0|1,0,1]=3 1253 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [0,1,0,0,0,0|1,0,1]=3 1254 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [0,1,0,0,0,0|1,0,1]=3 1255 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [0,1,0,0,0,0|1,0,1]=3 1256 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [0,1,0,0,0,0|1,0,1]=3 1257 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [0,1,0,0,0,0|1,0,1]=3 1258 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [0,1,0,0,0,0|1,0,1]=3 1259 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [0,1,0,0,0,0|1,0,1]=3 1260 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [0,1,0,0,0,0|1,0,1]=3 1261 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,1,0,0,0,0|1,0,1]=3 1262 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,1,0,0,0,0|1,0,1]=3 1263 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,1,0,0,0,0|1,0,1]=3 1264 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,1,0,0,0,0|1,0,1]=3 1265 B12R0.1 CCOC(=O)COCCCSCF 62a_100009893628_100015361967 [0,1,0,0,0,0|2,0,1]=4 1266 B12R0.1 CCOC(=O)COCCCSCF 62a_100015361967_100009893628 [0,1,0,0,0,0|2,0,1]=4 1267 B12R0.1 CCOC(=O)COCCNCCF 34a_100000724931_100000088970 [0,1,0,0,0,0|2,0,1]=4 1268 B12R0.1 CCOC(=O)COCCNCCO 2230a_100016997473_100000088970 [0,1,0,0,0,0|2,0,1]=4 1269 B12R0.1 CCOC(=O)COCCNCCO 34a_100016990907_100000088970 [0,1,0,0,0,0|2,0,1]=4 1270 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000211926_100000088970 [0,1,0,0,0,0|2,0,1]=4 1271 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000692535_100000188475 [0,1,0,0,0,0|2,0,1]=4 1272 B12R0.1 CCOC(=O)COCCOCCBr 7a_100000692535_100000188475 [0,1,0,0,0,0|2,0,1]=4 1273 B12R0.1 CCOC(=O)COCCOCCCl 34a_100011215305_100000188475 [0,1,0,0,0,0|2,0,1]=4 1274 B12R0.1 CCOC(=O)COCCOCCCl 7a_100011215305_100000188475 [0,1,0,0,0,0|2,0,1]=4 1275 B12R0.1 CCOC(=O)COCCOCCF 34a_200015357709_100000188475 [0,1,0,0,0,0|2,0,1]=4 1276 B12R0.1 CCOC(=O)COCCOCCF 7a_200015357709_100000188475 [0,1,0,0,0,0|2,0,1]=4 1277 B12R0.1 CCOC(=O)COCCOCCI 34a_100012149058_100000188475 [0,1,0,0,0,0|2,0,1]=4 1278 B12R0.1 CCOC(=O)COCCOCCI 7a_100012149058_100000188475 [0,1,0,0,0,0|2,0,1]=4 1279 B12R0.1 CCOC(=O)COCCOCCN 34a_100000210304_100000088970 [0,1,0,0,0,0|2,0,1]=4 1280 B12R0.1 CCOC(=O)COCCOCCN 34a_100000211614_100000188475 [0,1,0,0,0,0|2,0,1]=4 1281 B12R0.1 CCOC(=O)COCCSCCF 62a_100000088970_100011217306 [0,1,0,0,0,0|2,0,1]=4 1282 B12R0.1 CCOC(=O)COCCSCCF 62a_100011217306_100000088970 [0,1,0,0,0,0|2,0,1]=4 1283 B12R0.1 CCOC(=O)COCCSCCO 62a_100000088970_100000211926 [0,1,0,0,0,0|2,0,1]=4 1284 B12R0.1 CCOC(=O)COCCSCCO 62a_100000211926_100000088970 [0,1,0,0,0,0|2,0,1]=4 1285 B12R0.1 CCOC(=O)COCCSCOC 62a_100000088970_100000766300 [0,1,0,0,0,0|2,0,1]=4 1286 B12R0.1 CCOC(=O)COCCSCOC 62a_100000766300_100000088970 [0,1,0,0,0,0|2,0,1]=4 1287 B12R0.1 CCOC(=O)COCCSCSC 62a_100000088970_100011218213 [0,1,0,0,0,0|2,0,1]=4 1288 B12R0.1 CCOC(=O)COCCSCSC 62a_100011218213_100000088970 [0,1,0,0,0,0|2,0,1]=4 1289 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100000188475_100000211819 [0,1,0,0,0,0|1,0,2]=4 1290 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100011219923_100000188475 [0,1,0,0,0,0|1,0,2]=4 1291 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000139335_100000188475 [0,1,0,0,0,0|1,0,2]=4 1292 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000188475_100000139335 [0,1,0,0,0,0|1,0,2]=4 1293 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [0,1,0,0,0,0|1,0,1]=3 1294 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [0,1,0,0,0,0|1,0,1]=3 1295 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [0,1,0,0,0,0|1,0,1]=3 1296 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [0,1,0,0,0,0|1,0,1]=3 1297 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [0,1,0,0,0,0|1,0,1]=3 1298 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [0,1,0,0,0,0|1,0,1]=3 1299 B12R0.1 CCOC(=O)CSCCOCCF 7a_200000230590_100011217306 [0,1,0,0,0,0|2,0,1]=4 1300 B12R0.1 CCOC(=O)CSCCOCCO 62a_100000188475_100011215305 [0,1,0,0,0,0|2,0,1]=4 1301 B12R0.1 CCOC(=O)CSCCOCCO 62a_100011215305_100000188475 [0,1,0,0,0,0|2,0,1]=4 1302 B12R0.1 CCOC(=O)CSCCOCCO 7a_200000230590_100000211926 [0,1,0,0,0,0|2,0,1]=4 1303 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000188475_100000231047 [0,1,0,0,0,0|2,0,1]=4 1304 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000231047_100000188475 [0,1,0,0,0,0|2,0,1]=4 1305 B12R0.1 CCOC(=O)NCCOCCCF 34a_100000158857_100011934791 [0,1,0,0,0,0|2,0,1]=4 1306 B12R0.1 CCOC(=O)NCCOCCCO 34a_100000158857_100000230001 [0,1,0,0,0,0|2,0,1]=4 1307 B12R0.1 CCOC(=O)NCCOCCOC 34a_100000158857_100011201679 [0,1,0,0,0,0|2,0,1]=4 1308 B12R0.1 CCOC(=O)NCCOCCSC 34a_100000158857_100000212216 [0,1,0,0,0,0|2,0,1]=4 1309 B12R0.1 CCOC(=O)NCCOCCSC 7a_100000230434_200011445536 [0,1,0,0,0,0|2,0,1]=4 1310 B12R0.1 CCOC(=O)NCCSCCCF 62a_100011934791_200011445536 [0,1,0,0,0,0|2,0,1]=4 1311 B12R0.1 CCOC(=O)NCCSCCCO 62a_100011215043_200011445536 [0,1,0,0,0,0|2,0,1]=4 1312 B12R0.1 CCOC(=O)NCCSCCOC 62a_100000233755_200011445536 [0,1,0,0,0,0|2,0,1]=4 1313 B12R0.1 CCOC(=O)NCCSCCSC 62a_100000212216_200011445536 [0,1,0,0,0,0|2,0,1]=4 1314 B12R0.1 CCOC(=O)NN=CCSCCF 62a_100011217306_100015372823 [0,1,0,0,0,0|3,0,0]=4 1315 B12R0.1 CCOC(=O)NN=CCSCCO 62a_100000211926_100015372823 [0,1,0,0,0,0|3,0,0]=4 1316 B12R0.1 CCOC(=O)NN=CCSCOC 62a_100000766300_100015372823 [0,1,0,0,0,0|3,0,0]=4 1317 B12R0.1 CCOC(=O)NN=CCSCSC 62a_100011218213_100015372823 [0,1,0,0,0,0|3,0,0]=4 1318 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [0,1,0,0,0,0|2,0,1]=4 1319 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [0,1,0,0,0,0|2,0,1]=4 1320 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [0,1,0,0,0,0|2,0,1]=4 1321 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [0,1,0,0,0,0|2,0,1]=4 1322 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,1,0,0,0,0|0,0,2]=3 1323 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,1,0,0,0,0|0,0,2]=3 1324 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [0,1,0,0,0,0|1,0,1]=3 1325 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [0,1,0,0,0,0|1,0,1]=3 1326 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,1,0,0,0,0|1,0,1]=3 1327 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,1,0,0,0,0|1,0,1]=3 1328 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,1,0,0,0,0|1,0,1]=3 1329 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [0,1,0,0,0,0|1,0,1]=3 1330 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [0,1,0,0,0,0|1,0,1]=3 1331 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [0,1,0,0,0,0|1,0,2]=4 1332 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [0,1,0,0,0,0|1,0,2]=4 1333 B12R0.1 CCOCCNN=CC(=O)OCC 4a_100000732670_100000742314 [0,1,0,0,0,0|2,0,0]=3 1334 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [0,1,0,0,0,0|1,0,2]=4 1335 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [0,1,0,0,0,0|1,0,2]=4 1336 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [0,1,0,0,0,0|1,0,2]=4 1337 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [0,1,0,0,0,0|1,0,2]=4 1338 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [0,1,0,0,0,0|2,0,1]=4 1339 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100000739092_100016267167 [0,1,0,0,0,0|1,0,0]=2 1340 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100016267167_100000739092 [0,1,0,0,0,0|1,0,0]=2 1341 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [0,1,0,0,0,0|1,0,2]=4 1342 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [0,1,0,0,0,0|1,0,2]=4 1343 B12R0.1 CCOCSCCNC(=O)OCC 62a_100000739092_200011445536 [0,1,0,0,0,0|2,0,1]=4 1344 B12R0.4 C=C(C)CC(=O)C=CCCCCC 1458a_100016263427_100000748629 [0,1,0,0,0,0|1,0,1]=3 1345 B12R0.4 C=C(F)CC(=O)C=CCCCCC 1458a_100016263427_100009893438 [0,1,0,0,0,0|1,0,2]=4 1346 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200010986244_200025704644 [0,1,0,0,0,0|1,0,2]=4 1347 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200025704644_200010986244 [0,1,0,0,0,0|1,0,2]=4 1348 B12R0.4 CC(C)OC(=O)CNCCCCO 2230a_100000750430_100011215430 [0,1,0,0,0,0|2,0,1]=4 1349 B12R0.4 CC(C)OC(=O)CNCCCCO 34a_100000750430_100011215430 [0,1,0,0,0,0|2,0,1]=4 1350 B12R0.4 CC(C)OC(=O)COCCCCBr 34a_100011216708_100011215430 [0,1,0,0,0,0|2,0,1]=4 1351 B12R0.4 CC(C)OC(=O)COCCCCCl 34a_100000210776_100011215430 [0,1,0,0,0,0|2,0,1]=4 1352 B12R0.4 CC(C)OC(=O)COCCCCCl 7a_100000210776_100011215430 [0,1,0,0,0,0|2,0,1]=4 1353 B12R0.4 CC(C)OC(=O)COCCCCF 34a_100011995726_100011215430 [0,1,0,0,0,0|2,0,1]=4 1354 B12R0.4 CC(C)OC(=O)COCCCCF 7a_100011995726_100011215430 [0,1,0,0,0,0|2,0,1]=4 1355 B12R0.4 CC(C)OC(=O)COCCCCI 34a_200012148704_100011215430 [0,1,0,0,0,0|2,0,1]=4 1356 B12R0.4 CC(C)OC(=O)COCCCCN 34a_100000750430_100011215430 [0,1,0,0,0,0|2,0,1]=4 1357 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100000729493_100011215430 [0,1,0,0,0,0|2,0,1]=4 1358 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100011215430_100000729493 [0,1,0,0,0,0|2,0,1]=4 1359 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100000210776_100011215430 [0,1,0,0,0,0|2,0,1]=4 1360 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100011215430_100000210776 [0,1,0,0,0,0|2,0,1]=4 1361 B12R0.4 CCC/C=C/C=CC(=O)CC(C)C 1458a_200016258893_100000210624 [0,1,0,0,0,0|1,0,2]=4 1362 B12R0.4 CCC/C=C/C=CC(=O)CC(C)O 1458a_200016258893_100011218427 [0,1,0,0,0,0|1,0,2]=4 1363 B12R0.4 CCC/C=C/C=CC(=O)NC(C)C 11a_100138425928_200016258893 [0,1,0,0,0,0|1,0,2]=4 1364 B12R0.4 CCC/C=C/C=CC(=O)NC(C)C 1626a_100138425928_200016258893 [0,1,0,0,0,0|1,0,2]=4 1365 B12R0.4 CCC/C=C/C=CC(=O)NC(C)C 240690a_100138425928_200016258893 [0,1,0,0,0,0|1,0,2]=4 1366 B12R0.4 CCCC/C=C/CC(=O)CC(C)C 1458a_200016282684_100000210624 [0,1,0,0,0,0|1,0,2]=4 1367 B12R0.4 CCCC/C=C/CC(=O)CC(C)O 1458a_200016282684_100011218427 [0,1,0,0,0,0|1,0,2]=4 1368 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 11a_100138425928_200016282684 [0,1,0,0,0,0|1,0,2]=4 1369 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 1626a_100138425928_200016282684 [0,1,0,0,0,0|1,0,2]=4 1370 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 240690a_100138425928_200016282684 [0,1,0,0,0,0|1,0,2]=4 1371 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 527a_100138425928_200016282684 [0,1,0,0,0,0|1,0,2]=4 1372 B12R0.4 CCCCCC#CC(=O)CC(C)C 1458a_100011215388_100000210624 [0,1,0,0,0,0|1,0,2]=4 1373 B12R0.4 CCCCCC#CC(=O)CC(C)O 1458a_100011215388_100011218427 [0,1,0,0,0,0|1,0,2]=4 1374 B12R0.4 CCCCCC#CC(=O)NC(C)C 240690a_100138425928_100011215388 [0,1,0,0,0,0|1,0,2]=4 1375 B12R0.4 CCCCCC=CC(=O)CC(=O)N 1458a_100016263427_100000187820 [0,1,0,0,0,0|2,0,1]=4 1376 B12R0.4 CCCCCC=CC(=O)CC(=O)[O-] 1458a_100016263427_100020667443 [0,1,0,0,0,0|2,0,1]=4 1377 B12R0.4 CCCCCC=CC(=O)CC(C)C 1458a_100016263427_100000210624 [0,1,0,0,0,0|1,0,0]=2 1378 B12R0.4 CCCCCC=CC(=O)CC(C)O 1458a_100016263427_100011218427 [0,1,0,0,0,0|1,0,0]=2 1379 B12R0.4 CCCCCC=CC(=O)CC(F)F 1458a_100016263427_100011934356 [0,1,0,0,0,0|2,0,0]=3 1380 B12R0.4 CCCCCC=CC(=O)C[N+](=O)[O-] 1458a_100016263427_100000761209 [0,1,0,0,0,0|3,0,0]=4 1381 B12R0.4 CCCCCC=CC(=O)NC(C)C 11a_100138425928_100016263427 [0,1,0,0,0,0|1,0,0]=2 1382 B12R0.4 CCCCCC=CC(=O)NC(C)C 1626a_100138425928_100016263427 [0,1,0,0,0,0|1,0,0]=2 1383 B12R0.4 CCCCCC=CC(=O)NC(C)C 240690a_100138425928_100016263427 [0,1,0,0,0,0|1,0,0]=2 1384 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,1,0,0,0,0|1,0,2]=4 1385 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,1,0,0,0,0|1,0,2]=4 1386 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,1,0,0,0,0|1,0,2]=4 1387 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,1,0,0,0,0|1,0,2]=4 1388 B12R0.4 CCCCCCCC(=O)NC(C)C 11a_100138425928_100000211969 [0,1,0,0,0,0|1,0,2]=4 1389 B12R0.4 CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211969 [0,1,0,0,0,0|1,0,2]=4 1390 B12R0.4 CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211969 [0,1,0,0,0,0|1,0,2]=4 1391 B12R0.4 CCCCCCCC(=O)NC(C)C 527a_100138425928_100000211969 [0,1,0,0,0,0|1,0,2]=4 1392 B12R0.4 CCCCCCNC(=O)CC(C)C 11a_100000210581_100000210554 [0,1,0,0,0,0|2,0,1]=4 1393 B12R0.4 CCCCCCNC(=O)CC(C)C 1626a_100000210581_100000210554 [0,1,0,0,0,0|2,0,1]=4 1394 B12R0.4 CCCCCCNC(=O)CC(C)C 240690a_100000210581_100000210554 [0,1,0,0,0,0|2,0,1]=4 1395 B12R0.4 CCCCCCNC(=O)CC(C)C 527a_100000210581_100000210554 [0,1,0,0,0,0|2,0,1]=4 1396 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O 240690a_100000210581_100011933948 [0,1,0,0,0,0|2,0,1]=4 1397 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100000210581_100138425928 [0,1,0,0,0,0|2,0,1]=4 1398 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100138425928_100000210581 [0,1,0,0,0,0|2,0,1]=4 1399 B12R0.4 CCCCCCNC(=O)NC(C)C 273464a_100138425928_100000210581 [0,1,0,0,0,0|2,0,1]=4 1400 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100000210581_100138425928 [0,1,0,0,0,0|2,0,1]=4 1401 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100138425928_100000210581 [0,1,0,0,0,0|2,0,1]=4 1402 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210326 [0,1,0,0,0,0|2,0,1]=4 1403 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000209983_100000183996 [0,1,0,0,0,0|2,0,1]=4 1404 B12R0.4 CCCCCNCC(=O)OC(C)C 2230a_100000209983_100011215430 [0,1,0,0,0,0|1,0,1]=3 1405 B12R0.4 CCCCCNNC(=O)CC(C)C 22a_100000694160_100000210554 [0,1,0,0,0,0|3,0,0]=4 1406 B12R0.4 CCCCCNNC(=O)C[C@@H](C)O 22a_100000694160_100011933948 [0,1,0,0,0,0|3,0,0]=4 1407 B12R0.4 CCCCCNNC(=O)NC(C)C 273464a_100138425928_100000694160 [0,1,0,0,0,0|3,0,0]=4 1408 B12R0.4 CCCCCNNC(=O)NC(C)C 512a_100000694160_100138425928 [0,1,0,0,0,0|3,0,0]=4 1409 B12R0.4 CCCCCNNC(=O)NC(C)C 512a_100138425928_100000694160 [0,1,0,0,0,0|3,0,0]=4 1410 B12R0.4 CCCCCOCC(=O)NC(C)C 34a_100000210253_100000183996 [0,1,0,0,0,0|2,0,1]=4 1411 B12R0.4 CCCCCOCC(=O)NC(C)C 7a_100000210253_100000183996 [0,1,0,0,0,0|2,0,1]=4 1412 B12R0.4 CCCCCOCC(=O)OC(C)C 34a_100000210253_100011215430 [0,1,0,0,0,0|1,0,1]=3 1413 B12R0.4 CCCCCOCC(=O)OC(C)C 7a_100000210253_100011215430 [0,1,0,0,0,0|1,0,1]=3 1414 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000183996_100000210326 [0,1,0,0,0,0|2,0,1]=4 1415 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000210326_100000183996 [0,1,0,0,0,0|2,0,1]=4 1416 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100000210326_100011215430 [0,1,0,0,0,0|1,0,1]=3 1417 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100011215430_100000210326 [0,1,0,0,0,0|1,0,1]=3 1418 B12R0.4 CCCCNCCC(=O)OC(C)C 2230a_100000102301_100000760027 [0,1,0,0,0,0|1,0,2]=4 1419 B12R0.4 CCCCNCCC(=O)OC(C)C 7a_106832991798_100000760027 [0,1,0,0,0,0|1,0,2]=4 1420 B12R0.4 CCCCOCCC(=O)OC(C)C 7a_100000210227_100000760027 [0,1,0,0,0,0|1,0,2]=4 1421 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000210211_100000760027 [0,1,0,0,0,0|1,0,2]=4 1422 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000760027_100000210210 [0,1,0,0,0,0|1,0,2]=4 1423 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000003507_100000210210 [0,1,0,0,0,0|2,0,1]=4 1424 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000210211_100000003507 [0,1,0,0,0,0|2,0,1]=4 1425 B12R0.4 CCOCCNCC(=O)OC(C)C 2230a_102516460346_100011215430 [0,1,0,0,0,0|2,0,1]=4 1426 B12R0.4 CCOCCNCC(=O)OC(C)C 34a_102516460346_100011215430 [0,1,0,0,0,0|2,0,1]=4 1427 B12R0.4 CCOCCOCC(=O)OC(C)C 34a_100000210136_100011215430 [0,1,0,0,0,0|2,0,1]=4 1428 B12R0.4 CCOCCOCC(=O)OC(C)C 7a_100000210136_100011215430 [0,1,0,0,0,0|2,0,1]=4 1429 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100000210147_100011215430 [0,1,0,0,0,0|2,0,1]=4 1430 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100011215430_100011215890 [0,1,0,0,0,0|2,0,1]=4 1431 B12R0.4 CCSCCNCC(=O)OC(C)C 2230a_100000106463_100011215430 [0,1,0,0,0,0|2,0,1]=4 1432 B12R0.4 CCSCCOCC(=O)OC(C)C 34a_100000212035_100011215430 [0,1,0,0,0,0|2,0,1]=4 1433 B12R0.4 CCSCCOCC(=O)OC(C)C 7a_100000212035_100011215430 [0,1,0,0,0,0|2,0,1]=4 1434 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100000757381_100011215430 [0,1,0,0,0,0|2,0,1]=4 1435 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100011215430_100000757381 [0,1,0,0,0,0|2,0,1]=4 1436 B12R0.4 CNCCCCCC(=O)OC(C)C 2230a_106832991635_200010986244 [0,1,0,0,0,0|1,0,2]=4 1437 B12R0.4 CNCCCCCC(=O)OC(C)C 34a_100102657272_200010986244 [0,1,0,0,0,0|1,0,2]=4 1438 B12R0.4 CNCCCCCC(=O)OC(C)C 7a_106832991635_200010986244 [0,1,0,0,0,0|1,0,2]=4 1439 B12R0.4 CNCCCOCC(=O)OC(C)C 34a_100000213112_100011215430 [0,1,0,0,0,0|2,0,1]=4 1440 B12R0.4 COCCCCCC(=O)OC(C)C 34a_100138415774_200010986244 [0,1,0,0,0,0|1,0,2]=4 1441 B12R0.4 COCCCNCC(=O)OC(C)C 34a_100150723488_100011215430 [0,1,0,0,0,0|2,0,1]=4 1442 B12R0.4 COCCCOCC(=O)OC(C)C 34a_100000740835_100011215430 [0,1,0,0,0,0|2,0,1]=4 1443 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100000709357_100011215430 [0,1,0,0,0,0|2,0,1]=4 1444 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100011215430_100000709357 [0,1,0,0,0,0|2,0,1]=4 1445 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200000210301_200010986244 [0,1,0,0,0,0|1,0,2]=4 1446 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200010986244_200000210301 [0,1,0,0,0,0|1,0,2]=4 1447 B12R0.4 CSCCCNCC(=O)OC(C)C 2230a_100000749238_100011215430 [0,1,0,0,0,0|2,0,1]=4 1448 B12R0.4 CSCCCOCC(=O)OC(C)C 34a_100000690336_100011215430 [0,1,0,0,0,0|2,0,1]=4 1449 B12R0.4 CSCCCOCC(=O)OC(C)C 7a_100000690336_100011215430 [0,1,0,0,0,0|2,0,1]=4 1450 B12R0.49 C#CC(C)C(=O)C=CCCCCC 1458a_100016263427_200000035995 [0,1,0,0,0,0|1,0,2]=4 1451 B12R0.49 CCC/C=C/C=CC(=O)C(C)CC 1458a_200016258893_100000758301 [0,1,0,0,0,0|1,0,2]=4 1452 B12R0.49 CCC/C=C/C=CC(=O)N(C)CC 11a_100000225621_200016258893 [0,1,0,0,0,0|1,0,2]=4 1453 B12R0.49 CCC/C=C/C=CC(=O)N(C)CC 1626a_100000225621_200016258893 [0,1,0,0,0,0|1,0,2]=4 1454 B12R0.49 CCC/C=C/C=CC(=O)N(C)CC 240690a_100000225621_200016258893 [0,1,0,0,0,0|1,0,2]=4 1455 B12R0.49 CCCC/C=C/CC(=O)C(C)CC 1458a_200016282684_100000758301 [0,1,0,0,0,0|1,0,2]=4 1456 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 11a_100000225621_200016282684 [0,1,0,0,0,0|1,0,2]=4 1457 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 1626a_100000225621_200016282684 [0,1,0,0,0,0|1,0,2]=4 1458 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 240690a_100000225621_200016282684 [0,1,0,0,0,0|1,0,2]=4 1459 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 527a_100000225621_200016282684 [0,1,0,0,0,0|1,0,2]=4 1460 B12R0.49 CCCCCC#CC(=O)C(C)CC 1458a_100011215388_100000758301 [0,1,0,0,0,0|1,0,2]=4 1461 B12R0.49 CCCCCC#CC(=O)N(C)CC 240690a_100000225621_100011215388 [0,1,0,0,0,0|1,0,2]=4 1462 B12R0.49 CCCCCC=CC(=O)C(C)C#N 1458a_100016263427_100000703298 [0,1,0,0,0,0|2,0,1]=4 1463 B12R0.49 CCCCCC=CC(=O)C(C)CC 1458a_100016263427_100000758301 [0,1,0,0,0,0|1,0,0]=2 1464 B12R0.49 CCCCCC=CC(=O)N(C)CC 11a_100000225621_100016263427 [0,1,0,0,0,0|1,0,0]=2 1465 B12R0.49 CCCCCC=CC(=O)N(C)CC 1626a_100000225621_100016263427 [0,1,0,0,0,0|1,0,0]=2 1466 B12R0.49 CCCCCC=CC(=O)N(C)CC 240690a_100000225621_100016263427 [0,1,0,0,0,0|1,0,0]=2 1467 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [0,1,0,0,0,0|1,0,2]=4 1468 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [0,1,0,0,0,0|1,0,2]=4 1469 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [0,1,0,0,0,0|1,0,2]=4 1470 B12R0.49 CCCCCCCC(=O)N(C)CC 11a_100000225621_100000211969 [0,1,0,0,0,0|1,0,2]=4 1471 B12R0.49 CCCCCCCC(=O)N(C)CC 1626a_100000225621_100000211969 [0,1,0,0,0,0|1,0,2]=4 1472 B12R0.49 CCCCCCCC(=O)N(C)CC 240690a_100000225621_100000211969 [0,1,0,0,0,0|1,0,2]=4 1473 B12R0.49 CCCCCCCC(=O)N(C)CC 527a_100000225621_100000211969 [0,1,0,0,0,0|1,0,2]=4 1474 B12R0.49 CCCCCCNC(=O)C(C)CC 11a_100000210581_100011192722 [0,1,0,0,0,0|2,0,1]=4 1475 B12R0.49 CCCCCCNC(=O)C(C)CC 1626a_100000210581_100011192722 [0,1,0,0,0,0|2,0,1]=4 1476 B12R0.49 CCCCCCNC(=O)C(C)CC 240690a_100000210581_100011192722 [0,1,0,0,0,0|2,0,1]=4 1477 B12R0.49 CCCCCCNC(=O)C(C)CC 527a_100000210581_100011192722 [0,1,0,0,0,0|2,0,1]=4 1478 B12R0.49 CCCCCCNC(=O)C(O)CC 240690a_100000210581_100011196387 [0,1,0,0,0,0|2,0,1]=4 1479 B12R0.49 CCCCCCNC(=O)N(C)CC 2708a_100000210581_100000225621 [0,1,0,0,0,0|2,0,1]=4 1480 B12R0.49 CCCCCCNC(=O)N(C)CC 273464a_100000210581_100000225621 [0,1,0,0,0,0|2,0,1]=4 1481 B12R0.49 CCCCCNCC(=O)N(C)CC 2230a_100000209983_100000738999 [0,1,0,0,0,0|2,0,1]=4 1482 B12R0.49 CCCCCNNC(=O)C(C)CC 22a_100000694160_100011192722 [0,1,0,0,0,0|3,0,0]=4 1483 B12R0.49 CCCCCNNC(=O)C(O)CC 22a_100000694160_100011196387 [0,1,0,0,0,0|3,0,0]=4 1484 B12R0.49 CCCCCOCC(=O)N(C)CC 34a_100000210253_100000738999 [0,1,0,0,0,0|2,0,1]=4 1485 B12R0.49 CCCCCOCC(=O)N(C)CC 7a_100000210253_100000738999 [0,1,0,0,0,0|2,0,1]=4 1486 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000210326_100000738999 [0,1,0,0,0,0|2,0,1]=4 1487 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000738999_100000210326 [0,1,0,0,0,0|2,0,1]=4 1488 B12R0.101 C#CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000753159 [0,1,0,0,0,0|0,0,3]=4 1489 B12R0.101 C/C=C/CC(=O)C=CC(=O)OCC 1458a_100000210415_100102629194 [0,1,0,0,0,0|0,0,3]=4 1490 B12R0.101 C=CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000754431 [0,1,0,0,0,0|0,0,3]=4 1491 B12R0.101 CC#CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000748600 [0,1,0,0,0,0|0,0,3]=4 1492 B12R0.101 CC=CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000070051 [0,1,0,0,0,0|0,0,3]=4 1493 B12R0.101 CCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210211 [0,1,0,0,0,0|0,0,1]=2 1494 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [0,1,0,0,0,0|0,0,3]=4 1495 B12R0.101 CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210211 [0,1,0,0,0,0|1,0,2]=4 1496 B12R0.101 CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210183 [0,1,0,0,0,0|1,0,2]=4 1497 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [0,1,0,0,0,0|1,0,2]=4 1498 B12R0.101 CCCCC(C)CCC(=O)NCC 11a_100015525214_100000033779 [0,1,0,0,0,0|1,0,2]=4 1499 B12R0.101 CCCCC(C)CCC(=O)NCC 240690a_100015525214_100000033779 [0,1,0,0,0,0|1,0,2]=4 1500 B12R0.101 CCCCC(C)CCC(=O)NCC 527a_100015525214_100000033779 [0,1,0,0,0,0|1,0,2]=4 1501 B12R0.101 CCCCC(C)NCC(=O)CCC 2230a_100000126638_100000747444 [0,1,0,0,0,0|2,0,1]=4 1502 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100000126638_100000183381 [0,1,0,0,0,0|2,0,1]=4 1503 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100016988866_200011215066 [0,1,0,0,0,0|2,0,1]=4 1504 B12R0.101 CCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210087 [0,1,0,0,0,0|2,0,1]=4 1505 B12R0.101 CCCCC(C)NCC(=O)OCC 2230a_100000126638_100000188475 [0,1,0,0,0,0|1,0,1]=3 1506 B12R0.101 CCCCC(C)OCC(=O)CCC 7a_100000687866_100000747444 [0,1,0,0,0,0|2,0,1]=4 1507 B12R0.101 CCCCC(C)OCC(=O)NCC 34a_100000687866_100000183381 [0,1,0,0,0,0|2,0,1]=4 1508 B12R0.101 CCCCC(C)OCC(=O)NCC 7a_100000687866_100000183381 [0,1,0,0,0,0|2,0,1]=4 1509 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [0,1,0,0,0,0|1,0,1]=3 1510 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [0,1,0,0,0,0|1,0,1]=3 1511 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_100000747444_200011215066 [0,1,0,0,0,0|2,0,1]=4 1512 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_200011215066_100000747444 [0,1,0,0,0,0|2,0,1]=4 1513 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_100000183381_200011215066 [0,1,0,0,0,0|2,0,1]=4 1514 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_200011215066_100000183381 [0,1,0,0,0,0|2,0,1]=4 1515 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_100000188475_200011215066 [0,1,0,0,0,0|1,0,1]=3 1516 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_200011215066_100000188475 [0,1,0,0,0,0|1,0,1]=3 1517 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000207549_100011206558 [0,1,0,0,0,0|1,0,2]=4 1518 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210211 [0,1,0,0,0,0|1,0,2]=4 1519 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000207549_100011206558 [0,1,0,0,0,0|1,0,2]=4 1520 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210211 [0,1,0,0,0,0|1,0,2]=4 1521 B12R0.101 CCCNC(=O)C=CC(=O)OCC 1626a_100020643023_100000210415 [0,1,0,0,0,0|1,0,1]=3 1522 B12R0.101 CCCNC(=O)C=CC(=O)OCC 240690a_100020643023_100000210415 [0,1,0,0,0,0|1,0,1]=3 1523 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [0,1,0,0,0,0|1,0,2]=4 1524 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000210303_100000748298 [0,1,0,0,0,0|1,0,2]=4 1525 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000748298_100000210303 [0,1,0,0,0,0|1,0,2]=4 1526 B12R0.101 CCNN=C(C)C=CC(=O)OCC 4a_100000756455_200016282221 [0,1,0,0,0,0|2,0,1]=4 1527 B12R0.101 CCOC(=O)C=CC(=O)CCC#N 1458a_100000210415_100011215226 [0,1,0,0,0,0|1,0,2]=4 1528 B12R0.101 CCOC(=O)C=CC(=O)CCCF 1458a_100000210415_100011934791 [0,1,0,0,0,0|1,0,1]=3 1529 B12R0.101 CCOC(=O)C=CC(=O)CCCO 1458a_100000210415_100011215043 [0,1,0,0,0,0|1,0,1]=3 1530 B12R0.101 CCOC(=O)C=CC(=O)CCOC 1458a_100000210415_100000233755 [0,1,0,0,0,0|1,0,1]=3 1531 B12R0.101 CCOC(=O)C=CC(=O)CCSC 1458a_100000210415_100000751147 [0,1,0,0,0,0|1,0,1]=3 1532 B12R0.101 CCOC(=O)C=CC(=O)NCCF 1626a_100000724931_100000210415 [0,1,0,0,0,0|2,0,1]=4 1533 B12R0.101 CCOC(=O)C=CC(=O)NCCF 240690a_100000724931_100000210415 [0,1,0,0,0,0|2,0,1]=4 1534 B12R0.101 CCOC(=O)C=CC(=O)NCCO 240690a_100000210304_100000210415 [0,1,0,0,0,0|2,0,1]=4 1535 B12R0.101 CCOC(=O)COC(C)CCCCl 34a_200000718107_100000188475 [0,1,0,0,0,0|2,0,1]=4 1536 B12R0.101 CCOC(=O)COC(C)CCCCl 7a_200000718107_100000188475 [0,1,0,0,0,0|2,0,1]=4 1537 B12R0.101 CCOCC(C)OCC(=O)OCC 34a_100000718985_100000188475 [0,1,0,0,0,0|2,0,1]=4 1538 B12R0.101 CCOCC(C)OCC(=O)OCC 7a_100000718985_100000188475 [0,1,0,0,0,0|2,0,1]=4 1539 B12R0.114 C#CCCCNC(=O)C(=O)OCC 11a_100000718082_100014798877 [0,1,0,0,0,0|1,0,2]=4 1540 B12R0.114 C#CCCCNC(=O)C(=O)OCC 1626a_100000718082_100014798877 [0,1,0,0,0,0|1,0,2]=4 1541 B12R0.114 C#CCCCNC(=O)C(=O)OCC 240690a_100000718082_100014798877 [0,1,0,0,0,0|1,0,2]=4 1542 B12R0.114 C=C(CNCCCC)C(=O)OCC 7a_106832991798_100000755967 [0,1,0,0,0,0|1,0,1]=3 1543 B12R0.114 C=C(CNCCCF)C(=O)OCC 34a_100015189416_100000755967 [0,1,0,0,0,0|2,0,1]=4 1544 B12R0.114 C=C(COCCCBr)C(=O)OCC 34a_100011217188_100000755967 [0,1,0,0,0,0|2,0,1]=4 1545 B12R0.114 C=C(COCCCC)C(=O)OCC 34a_100000210227_100000755967 [0,1,0,0,0,0|1,0,1]=3 1546 B12R0.114 C=C(COCCCC)C(=O)OCC 7a_100000210227_100000755967 [0,1,0,0,0,0|1,0,1]=3 1547 B12R0.114 C=C(COCCCCl)C(=O)OCC 34a_100000230001_100000755967 [0,1,0,0,0,0|2,0,1]=4 1548 B12R0.114 C=C(COCCCF)C(=O)OCC 34a_100000759539_100000755967 [0,1,0,0,0,0|2,0,1]=4 1549 B12R0.114 C=C(COCCCN)C(=O)OCC 34a_100000182051_100000755967 [0,1,0,0,0,0|2,0,1]=4 1550 B12R0.114 C=C(COCCOC)C(=O)OCC 34a_100000210237_100000755967 [0,1,0,0,0,0|2,0,1]=4 1551 B12R0.114 C=C(COCCSC)C(=O)OCC 34a_100000230434_100000755967 [0,1,0,0,0,0|2,0,1]=4 1552 B12R0.114 C=C(COCCSC)C(=O)OCC 7a_100000230434_100000755967 [0,1,0,0,0,0|2,0,1]=4 1553 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000210211_100000755967 [0,1,0,0,0,0|1,0,1]=3 1554 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000755967_100000210210 [0,1,0,0,0,0|1,0,1]=3 1555 B12R0.114 C=C(CSCCCF)C(=O)OCC 62a_100000755967_100011934791 [0,1,0,0,0,0|2,0,1]=4 1556 B12R0.114 C=C(CSCCCF)C(=O)OCC 62a_100011934791_100000755967 [0,1,0,0,0,0|2,0,1]=4 1557 B12R0.114 C=C(CSCCCO)C(=O)OCC 62a_100000755967_100011215043 [0,1,0,0,0,0|2,0,1]=4 1558 B12R0.114 C=C(CSCCCO)C(=O)OCC 62a_100011215043_100000755967 [0,1,0,0,0,0|2,0,1]=4 1559 B12R0.114 C=C(CSCCOC)C(=O)OCC 62a_100000233755_100000755967 [0,1,0,0,0,0|2,0,1]=4 1560 B12R0.114 C=C(CSCCOC)C(=O)OCC 62a_100000755967_100000233755 [0,1,0,0,0,0|2,0,1]=4 1561 B12R0.114 C=C(CSCCSC)C(=O)OCC 62a_100000212216_100000755967 [0,1,0,0,0,0|2,0,1]=4 1562 B12R0.114 C=C(CSCCSC)C(=O)OCC 62a_100000755967_100000751147 [0,1,0,0,0,0|2,0,1]=4 1563 B12R0.114 C=C(CSCOCC)C(=O)OCC 62a_100000739092_100000755967 [0,1,0,0,0,0|2,0,1]=4 1564 B12R0.114 C=C(CSCOCC)C(=O)OCC 62a_100000755967_100000739092 [0,1,0,0,0,0|2,0,1]=4 1565 B12R0.114 C=CCCCNC(=O)C(=O)OCC 11a_100000700776_100014798877 [0,1,0,0,0,0|1,0,2]=4 1566 B12R0.114 C=CCCCNC(=O)C(=O)OCC 1626a_100000700776_100014798877 [0,1,0,0,0,0|1,0,2]=4 1567 B12R0.114 C=CCCCNC(=O)C(=O)OCC 240690a_100000700776_100014798877 [0,1,0,0,0,0|1,0,2]=4 1568 B12R0.114 CC/C=C(\C)/C(=O)CCCCCC 1458a_100016988807_100000210757 [0,1,0,0,0,0|2,0,1]=4 1569 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 11a_100000209983_100016988807 [0,1,0,0,0,0|3,0,0]=4 1570 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 1626a_100000209983_100016988807 [0,1,0,0,0,0|3,0,0]=4 1571 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 240690a_100000209983_100016988807 [0,1,0,0,0,0|3,0,0]=4 1572 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 527a_100000209983_100016988807 [0,1,0,0,0,0|3,0,0]=4 1573 B12R0.114 CCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210757 [0,1,0,0,0,0|1,0,1]=3 1574 B12R0.114 CCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210757 [0,1,0,0,0,0|1,0,2]=4 1575 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [0,1,0,0,0,0|1,0,2]=4 1576 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [0,1,0,0,0,0|1,0,2]=4 1577 B12R0.114 CCCCCCC(O)C(=O)NCC 240690a_100015525214_100011215828 [0,1,0,0,0,0|1,0,2]=4 1578 B12R0.114 CCCCCCN(C)C(=O)CCC 11a_106256046315_100000211992 [0,1,0,0,0,0|2,0,1]=4 1579 B12R0.114 CCCCCCN(C)C(=O)CCC 1626a_106256046315_100000211992 [0,1,0,0,0,0|2,0,1]=4 1580 B12R0.114 CCCCCCN(C)C(=O)CCC 240690a_106256046315_100000211992 [0,1,0,0,0,0|2,0,1]=4 1581 B12R0.114 CCCCCCN(C)C(=O)CCC 527a_106256046315_100000211992 [0,1,0,0,0,0|2,0,1]=4 1582 B12R0.114 CCCCCCN(C)C(=O)NCC 2708a_100015525214_106256046315 [0,1,0,0,0,0|2,0,1]=4 1583 B12R0.114 CCCCCCN(C)C(=O)NCC 273464a_100015525214_106256046315 [0,1,0,0,0,0|2,0,1]=4 1584 B12R0.114 CCCCCNC(=O)C(=O)NCC 1626a_100000209983_200011297158 [0,1,0,0,0,0|2,0,0]=3 1585 B12R0.114 CCCCCNC(=O)C(=O)NCC 240690a_100000209983_200011297158 [0,1,0,0,0,0|2,0,0]=3 1586 B12R0.114 CCCCCNC(=O)C(=O)NCC 527a_100000209983_200011297158 [0,1,0,0,0,0|2,0,0]=3 1587 B12R0.114 CCCCCNC(=O)C(=O)OCC 11a_100000209983_100014798877 [0,1,0,0,0,0|1,0,0]=2 1588 B12R0.114 CCCCCNC(=O)C(=O)OCC 1626a_100000209983_100014798877 [0,1,0,0,0,0|1,0,0]=2 1589 B12R0.114 CCCCCNC(=O)C(=O)OCC 240690a_100000209983_100014798877 [0,1,0,0,0,0|1,0,0]=2 1590 B12R0.114 CCCCCNC(=O)C(C)OCC 11a_100000209983_100000739345 [0,1,0,0,0,0|2,0,1]=4 1591 B12R0.114 CCCCCNC(=O)C(C)OCC 1626a_100000209983_100000739345 [0,1,0,0,0,0|2,0,1]=4 1592 B12R0.114 CCCCCNC(=O)C(C)OCC 240690a_100000209983_100000739345 [0,1,0,0,0,0|2,0,1]=4 1593 B12R0.114 CCCCCNC(=O)C(C)OCC 527a_100000209983_100000739345 [0,1,0,0,0,0|2,0,1]=4 1594 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000209983_100000230173 [0,1,0,0,0,0|2,0,1]=4 1595 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210326 [0,1,0,0,0,0|2,0,1]=4 1596 B12R0.114 CCCCCNC(C)C(=O)NCC 34a_100000736553_100000718602 [0,1,0,0,0,0|2,0,1]=4 1597 B12R0.114 CCCCCNC(C)C(=O)OCC 2230a_100000209983_100011215307 [0,1,0,0,0,0|1,0,1]=3 1598 B12R0.114 CCCCCNC(F)C(=O)OCC 2230a_100000209983_100000760018 [0,1,0,0,0,0|1,0,1]=3 1599 B12R0.114 CCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210326 [0,1,0,0,0,0|1,1,1]=4 1600 B12R0.114 CCCCCOC(C)C(=O)NCC 34a_100000210253_100000230173 [0,1,0,0,0,0|2,0,1]=4 1601 B12R0.114 CCCCCOC(C)C(=O)NCC 7a_100000210253_100000230173 [0,1,0,0,0,0|2,0,1]=4 1602 B12R0.114 CCCCCOC(C)C(=O)OCC 34a_100000210253_100011216346 [0,1,0,0,0,0|1,0,1]=3 1603 B12R0.114 CCCCCOC(C)C(=O)OCC 7a_100000210253_100011216346 [0,1,0,0,0,0|1,0,1]=3 1604 B12R0.114 CCCCCOC(F)C(=O)OCC 34a_100000210253_100000760018 [0,1,0,0,0,0|1,0,1]=3 1605 B12R0.114 CCCCCOC(F)C(=O)OCC 7a_100000210253_100000040065 [0,1,0,0,0,0|1,0,1]=3 1606 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210326 [0,1,0,0,0,0|1,0,1]=3 1607 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000210326_100000230173 [0,1,0,0,0,0|2,0,1]=4 1608 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000230173_100000210326 [0,1,0,0,0,0|2,0,1]=4 1609 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100000210326_100011216346 [0,1,0,0,0,0|1,0,1]=3 1610 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100011216346_100000210326 [0,1,0,0,0,0|1,0,1]=3 1611 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000210326_100000760018 [0,1,0,0,0,0|1,0,1]=3 1612 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000760018_100000210326 [0,1,0,0,0,0|1,0,1]=3 1613 B12R0.114 CCCCNN=C(C)C(=O)OCC 4a_100025702795_100000209952 [0,1,0,0,0,0|2,0,0]=3 1614 B12R0.114 CCCCNNC(=O)C(=O)NCC 22a_100025702795_200011297158 [0,1,0,0,0,0|3,0,0]=4 1615 B12R0.114 CCCCOCC(=O)C(=O)NCC 1458a_200011297158_100011995733 [0,1,0,0,0,0|2,0,1]=4 1616 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000210211_100000211299 [0,1,0,0,0,0|1,0,1]=3 1617 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210210 [0,1,0,0,0,0|1,0,1]=3 1618 B12R0.114 CCCOCCC(=O)C(=O)NCC 1458a_200011297158_100011215938 [0,1,0,0,0,0|2,0,1]=4 1619 B12R0.114 CCNC(=O)C(=O)CCCCCF 1458a_200011297158_100000729378 [0,1,0,0,0,0|2,0,1]=4 1620 B12R0.114 CCNC(=O)C(=O)CCCCCO 1458a_200011297158_100000746330 [0,1,0,0,0,0|2,0,1]=4 1621 B12R0.114 CCNC(=O)C(=O)CCCCOC 1458a_200011297158_100000755781 [0,1,0,0,0,0|2,0,1]=4 1622 B12R0.114 CCNC(=O)C(=O)CCCOCC 1458a_200011297158_100012232248 [0,1,0,0,0,0|2,0,1]=4 1623 B12R0.114 CCNC(=O)C(=O)NCCCCO 240690a_100000750430_200011297158 [0,1,0,0,0,0|3,0,0]=4 1624 B12R0.114 CCNC(=O)C(=O)NCCCCO 527a_100000750430_200011297158 [0,1,0,0,0,0|3,0,0]=4 1625 B12R0.114 CCNC(=O)C(=O)NCCCOC 1626a_100150723488_200011297158 [0,1,0,0,0,0|3,0,0]=4 1626 B12R0.114 CCNC(=O)C(=O)NCCCOC 240690a_100150723488_200011297158 [0,1,0,0,0,0|3,0,0]=4 1627 B12R0.114 CCNC(=O)C(=O)NCCCOC 527a_100150723488_200011297158 [0,1,0,0,0,0|3,0,0]=4 1628 B12R0.114 CCNC(=O)C(=O)NCCCSC 1626a_100000749238_200011297158 [0,1,0,0,0,0|3,0,0]=4 1629 B12R0.114 CCNC(=O)C(=O)NCCCSC 240690a_100000749238_200011297158 [0,1,0,0,0,0|3,0,0]=4 1630 B12R0.114 CCNC(=O)C(=O)NCCCSC 527a_100000749238_200011297158 [0,1,0,0,0,0|3,0,0]=4 1631 B12R0.114 CCNC(=O)C(=O)NCCOCC 1626a_102516460346_200011297158 [0,1,0,0,0,0|3,0,0]=4 1632 B12R0.114 CCNC(=O)C(=O)NCCOCC 240690a_100011200944_200011297158 [0,1,0,0,0,0|3,0,0]=4 1633 B12R0.114 CCNC(=O)C(=O)NCCOCC 527a_100011200944_200011297158 [0,1,0,0,0,0|3,0,0]=4 1634 B12R0.114 CCNC(=O)C(=O)NCCSCC 1626a_100000106463_200011297158 [0,1,0,0,0,0|3,0,0]=4 1635 B12R0.114 CCNC(=O)C(=O)NCCSCC 240690a_100000106463_200011297158 [0,1,0,0,0,0|3,0,0]=4 1636 B12R0.114 CCNC(=O)C(=O)NCCSCC 527a_100000106463_200011297158 [0,1,0,0,0,0|3,0,0]=4 1637 B12R0.114 CCOC(=O)C(=O)CSCCCF 62a_100000211299_100011934791 [0,1,0,0,0,0|2,0,1]=4 1638 B12R0.114 CCOC(=O)C(=O)CSCCCF 62a_100011934791_100000211299 [0,1,0,0,0,0|2,0,1]=4 1639 B12R0.114 CCOC(=O)C(=O)CSCCCO 62a_100000211299_100011215043 [0,1,0,0,0,0|2,0,1]=4 1640 B12R0.114 CCOC(=O)C(=O)CSCCCO 62a_100011215043_100000211299 [0,1,0,0,0,0|2,0,1]=4 1641 B12R0.114 CCOC(=O)C(=O)CSCCOC 62a_100000211299_100000233755 [0,1,0,0,0,0|2,0,1]=4 1642 B12R0.114 CCOC(=O)C(=O)CSCCOC 62a_100000233755_100000211299 [0,1,0,0,0,0|2,0,1]=4 1643 B12R0.114 CCOC(=O)C(=O)CSCCSC 62a_100000211299_100000751147 [0,1,0,0,0,0|2,0,1]=4 1644 B12R0.114 CCOC(=O)C(=O)CSCCSC 62a_100000212216_100000211299 [0,1,0,0,0,0|2,0,1]=4 1645 B12R0.114 CCOC(=O)C(=O)NCCCCO 240690a_100000750430_100014798877 [0,1,0,0,0,0|2,0,0]=3 1646 B12R0.114 CCOC(=O)C(=O)NCCCOC 1626a_100150723488_100014798877 [0,1,0,0,0,0|2,0,0]=3 1647 B12R0.114 CCOC(=O)C(=O)NCCCOC 240690a_100150723488_100014798877 [0,1,0,0,0,0|2,0,0]=3 1648 B12R0.114 CCOC(=O)C(=O)NCCCSC 11a_100000749238_100014798877 [0,1,0,0,0,0|2,0,0]=3 1649 B12R0.114 CCOC(=O)C(=O)NCCCSC 1626a_100000749238_100014798877 [0,1,0,0,0,0|2,0,0]=3 1650 B12R0.114 CCOC(=O)C(=O)NCCCSC 240690a_100000749238_100014798877 [0,1,0,0,0,0|2,0,0]=3 1651 B12R0.114 CCOC(=O)C(=O)NCCSCC 11a_100000106463_100014798877 [0,1,0,0,0,0|2,0,0]=3 1652 B12R0.114 CCOC(=O)C(=O)NCCSCC 1626a_100000106463_100014798877 [0,1,0,0,0,0|2,0,0]=3 1653 B12R0.114 CCOC(=O)C(=O)NCCSCC 240690a_100000106463_100014798877 [0,1,0,0,0,0|2,0,0]=3 1654 B12R0.114 CCOC(=O)C(C)NCCCCO 2230a_100000750430_100011215307 [0,1,0,0,0,0|2,0,1]=4 1655 B12R0.114 CCOC(=O)C(C)NCCCCO 34a_100000750430_100011216346 [0,1,0,0,0,0|2,0,1]=4 1656 B12R0.114 CCOC(=O)C(C)NCCCOC 34a_100150723488_100011216346 [0,1,0,0,0,0|2,0,1]=4 1657 B12R0.114 CCOC(=O)C(C)NCCCSC 2230a_100000749238_100011215307 [0,1,0,0,0,0|2,0,1]=4 1658 B12R0.114 CCOC(=O)C(C)NCCSCC 2230a_100000106463_100011215307 [0,1,0,0,0,0|2,0,1]=4 1659 B12R0.114 CCOC(=O)C(C)OCCCCBr 34a_100011216708_100011216346 [0,1,0,0,0,0|2,0,1]=4 1660 B12R0.114 CCOC(=O)C(C)OCCCCCl 34a_100000210776_100011216346 [0,1,0,0,0,0|2,0,1]=4 1661 B12R0.114 CCOC(=O)C(C)OCCCCCl 7a_100000210776_100011216346 [0,1,0,0,0,0|2,0,1]=4 1662 B12R0.114 CCOC(=O)C(C)OCCCCF 34a_100011995726_100011216346 [0,1,0,0,0,0|2,0,1]=4 1663 B12R0.114 CCOC(=O)C(C)OCCCCF 7a_100011995726_100011216346 [0,1,0,0,0,0|2,0,1]=4 1664 B12R0.114 CCOC(=O)C(C)OCCCCI 34a_200012148704_100011216346 [0,1,0,0,0,0|2,0,1]=4 1665 B12R0.114 CCOC(=O)C(C)OCCCCN 34a_100000750430_100011216346 [0,1,0,0,0,0|2,0,1]=4 1666 B12R0.114 CCOC(=O)C(C)OCCCNC 34a_100000213112_100011216346 [0,1,0,0,0,0|2,0,1]=4 1667 B12R0.114 CCOC(=O)C(C)OCCCOC 34a_100000740835_100011216346 [0,1,0,0,0,0|2,0,1]=4 1668 B12R0.114 CCOC(=O)C(C)OCCCSC 34a_100000690336_100011216346 [0,1,0,0,0,0|2,0,1]=4 1669 B12R0.114 CCOC(=O)C(C)OCCCSC 7a_100000690336_100011216346 [0,1,0,0,0,0|2,0,1]=4 1670 B12R0.114 CCOC(=O)C(C)OCCSCC 34a_100000212035_100011216346 [0,1,0,0,0,0|2,0,1]=4 1671 B12R0.114 CCOC(=O)C(C)OCCSCC 7a_100000212035_100011216346 [0,1,0,0,0,0|2,0,1]=4 1672 B12R0.114 CCOC(=O)C(C)SCCCCF 62a_100000729493_100011216346 [0,1,0,0,0,0|2,0,1]=4 1673 B12R0.114 CCOC(=O)C(C)SCCCCF 62a_100011216346_100000729493 [0,1,0,0,0,0|2,0,1]=4 1674 B12R0.114 CCOC(=O)C(C)SCCCCO 62a_100000210776_100011216346 [0,1,0,0,0,0|2,0,1]=4 1675 B12R0.114 CCOC(=O)C(C)SCCCCO 62a_100011216346_100000210776 [0,1,0,0,0,0|2,0,1]=4 1676 B12R0.114 CCOC(=O)C(C)SCCCOC 62a_100000709357_100011216346 [0,1,0,0,0,0|2,0,1]=4 1677 B12R0.114 CCOC(=O)C(C)SCCCOC 62a_100011216346_100000709357 [0,1,0,0,0,0|2,0,1]=4 1678 B12R0.114 CCOC(=O)C(C)SCCSCC 62a_100000757381_100011216346 [0,1,0,0,0,0|2,0,1]=4 1679 B12R0.114 CCOC(=O)C(C)SCCSCC 62a_100011216346_100000757381 [0,1,0,0,0,0|2,0,1]=4 1680 B12R0.114 CCOC(=O)C(F)NCCCCO 2230a_100000750430_100000760018 [0,1,0,0,0,0|2,0,1]=4 1681 B12R0.114 CCOC(=O)C(F)NCCCCO 34a_100000750430_100000760018 [0,1,0,0,0,0|2,0,1]=4 1682 B12R0.114 CCOC(=O)C(F)NCCCOC 34a_100150723488_100000760018 [0,1,0,0,0,0|2,0,1]=4 1683 B12R0.114 CCOC(=O)C(F)NCCCSC 2230a_100000749238_100000760018 [0,1,0,0,0,0|2,0,1]=4 1684 B12R0.114 CCOC(=O)C(F)NCCSCC 2230a_100000106463_100000760018 [0,1,0,0,0,0|2,0,1]=4 1685 B12R0.114 CCOC(=O)C(F)OCCCCBr 34a_100011216708_100000760018 [0,1,0,0,0,0|2,0,1]=4 1686 B12R0.114 CCOC(=O)C(F)OCCCCCl 34a_100000210776_100000760018 [0,1,0,0,0,0|2,0,1]=4 1687 B12R0.114 CCOC(=O)C(F)OCCCCCl 7a_100000210776_100000040065 [0,1,0,0,0,0|2,0,1]=4 1688 B12R0.114 CCOC(=O)C(F)OCCCCF 34a_100011995726_100000760018 [0,1,0,0,0,0|2,0,1]=4 1689 B12R0.114 CCOC(=O)C(F)OCCCCF 7a_100011995726_100000040065 [0,1,0,0,0,0|2,0,1]=4 1690 B12R0.114 CCOC(=O)C(F)OCCCCI 34a_200012148704_100000760018 [0,1,0,0,0,0|2,0,1]=4 1691 B12R0.114 CCOC(=O)C(F)OCCCCN 34a_100000750430_100000760018 [0,1,0,0,0,0|2,0,1]=4 1692 B12R0.114 CCOC(=O)C(F)OCCCNC 34a_100000213112_100000760018 [0,1,0,0,0,0|2,0,1]=4 1693 B12R0.114 CCOC(=O)C(F)OCCCOC 34a_100000740835_100000760018 [0,1,0,0,0,0|2,0,1]=4 1694 B12R0.114 CCOC(=O)C(F)OCCCSC 34a_100000690336_100000760018 [0,1,0,0,0,0|2,0,1]=4 1695 B12R0.114 CCOC(=O)C(F)OCCCSC 7a_100000690336_100000040065 [0,1,0,0,0,0|2,0,1]=4 1696 B12R0.114 CCOC(=O)C(F)OCCSCC 34a_100000212035_100000760018 [0,1,0,0,0,0|2,0,1]=4 1697 B12R0.114 CCOC(=O)C(F)OCCSCC 7a_100000212035_100000040065 [0,1,0,0,0,0|2,0,1]=4 1698 B12R0.114 CCOC(=O)C(F)SCCCCF 62a_100000729493_100000760018 [0,1,0,0,0,0|2,0,1]=4 1699 B12R0.114 CCOC(=O)C(F)SCCCCF 62a_100000760018_100000729493 [0,1,0,0,0,0|2,0,1]=4 1700 B12R0.114 CCOC(=O)C(F)SCCCCO 62a_100000210776_100000760018 [0,1,0,0,0,0|2,0,1]=4 1701 B12R0.114 CCOC(=O)C(F)SCCCCO 62a_100000760018_100000210776 [0,1,0,0,0,0|2,0,1]=4 1702 B12R0.114 CCOC(=O)C(F)SCCCOC 62a_100000709357_100000760018 [0,1,0,0,0,0|2,0,1]=4 1703 B12R0.114 CCOC(=O)C(F)SCCCOC 62a_100000760018_100000709357 [0,1,0,0,0,0|2,0,1]=4 1704 B12R0.114 CCOC(=O)C(F)SCCSCC 62a_100000757381_100000760018 [0,1,0,0,0,0|2,0,1]=4 1705 B12R0.114 CCOC(=O)C(F)SCCSCC 62a_100000760018_100000757381 [0,1,0,0,0,0|2,0,1]=4 1706 B12R0.114 CCOC(=O)[C@H](C)OCCCCF 7a_100000751109_100000729493 [0,1,0,0,0,0|2,0,1]=4 1707 B12R0.114 CCOC(=O)[C@H](C)OCCCCO 7a_100000751109_100000210776 [0,1,0,0,0,0|2,0,1]=4 1708 B12R0.114 CCOC(=O)[C@H](C)OCCCOC 7a_100000751109_100000740836 [0,1,0,0,0,0|2,0,1]=4 1709 B12R0.114 CCOC(=O)[C@H](C)OCCSCC 7a_100000751109_100000757381 [0,1,0,0,0,0|2,0,1]=4 1710 B12R0.114 CCOCCNC(=O)C(=O)OCC 11a_100011200944_100014798877 [0,1,0,0,0,0|2,0,0]=3 1711 B12R0.114 CCOCCNC(=O)C(=O)OCC 1626a_102516460346_100014798877 [0,1,0,0,0,0|2,0,0]=3 1712 B12R0.114 CCOCCNC(=O)C(=O)OCC 240690a_100011200944_100014798877 [0,1,0,0,0,0|2,0,0]=3 1713 B12R0.114 CCOCCNC(C)C(=O)OCC 2230a_102516460346_100011215307 [0,1,0,0,0,0|2,0,1]=4 1714 B12R0.114 CCOCCNC(C)C(=O)OCC 34a_102516460346_100011216346 [0,1,0,0,0,0|2,0,1]=4 1715 B12R0.114 CCOCCNC(F)C(=O)OCC 2230a_102516460346_100000760018 [0,1,0,0,0,0|2,0,1]=4 1716 B12R0.114 CCOCCNC(F)C(=O)OCC 34a_102516460346_100000760018 [0,1,0,0,0,0|2,0,1]=4 1717 B12R0.114 CCOCCOC(C)C(=O)OCC 34a_100000210136_100011216346 [0,1,0,0,0,0|2,0,1]=4 1718 B12R0.114 CCOCCOC(C)C(=O)OCC 7a_100000210136_100011216346 [0,1,0,0,0,0|2,0,1]=4 1719 B12R0.114 CCOCCOC(F)C(=O)OCC 34a_100000210136_100000760018 [0,1,0,0,0,0|2,0,1]=4 1720 B12R0.114 CCOCCOC(F)C(=O)OCC 7a_100000210136_100000040065 [0,1,0,0,0,0|2,0,1]=4 1721 B12R0.114 CCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215890 [0,1,0,0,0,0|2,0,1]=4 1722 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100000210147_100011216346 [0,1,0,0,0,0|2,0,1]=4 1723 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100011216346_100011215890 [0,1,0,0,0,0|2,0,1]=4 1724 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000210147_100000760018 [0,1,0,0,0,0|2,0,1]=4 1725 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000760018_100011215890 [0,1,0,0,0,0|2,0,1]=4 1726 B12R0.114 CCOCSCC(=O)C(=O)OCC 62a_100000211299_100000739092 [0,1,0,0,0,0|2,0,1]=4 1727 B12R0.114 CCOCSCC(=O)C(=O)OCC 62a_100000739092_100000211299 [0,1,0,0,0,0|2,0,1]=4 1728 B12R0.206 C#CCCC(=O)C=CCCCCC 1458a_100016263427_100000753159 [0,1,0,0,0,0|1,0,1]=3 1729 B12R0.206 C#CCNC(=O)C=CCCCCC 11a_100000212058_100016263427 [0,1,0,0,0,0|1,0,1]=3 1730 B12R0.206 C#CCNC(=O)C=CCCCCC 1626a_100000212058_100016263427 [0,1,0,0,0,0|1,0,1]=3 1731 B12R0.206 C#CCNC(=O)C=CCCCCC 240690a_100000212058_100016263427 [0,1,0,0,0,0|1,0,1]=3 1732 B12R0.206 C/C=C/CC(=O)C=CCCCCC 1458a_100016263427_100102629194 [0,1,0,0,0,0|1,0,1]=3 1733 B12R0.206 C=C(COCCCCC)OCOC 34a_100000210253_100000042856 [0,1,0,0,0,0|2,0,1]=4 1734 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000042856_100000210326 [0,1,0,0,0,0|2,0,1]=4 1735 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000210326_100000042856 [0,1,0,0,0,0|2,0,1]=4 1736 B12R0.206 C=CCCC(=O)C=CCCCCC 1458a_100016263427_100000754431 [0,1,0,0,0,0|1,0,1]=3 1737 B12R0.206 C=CCNC(=O)C=CCCCCC 1626a_100020586998_100016263427 [0,1,0,0,0,0|1,0,1]=3 1738 B12R0.206 C=CCNC(=O)C=CCCCCC 240690a_100020586998_100016263427 [0,1,0,0,0,0|1,0,1]=3 1739 B12R0.206 C=CCOC(=O)CNCCCCC 2230a_100000209983_100000033060 [0,1,0,0,0,0|1,0,2]=4 1740 B12R0.206 C=CCOC(=O)COCCCCC 34a_100000210253_100000033060 [0,1,0,0,0,0|1,0,2]=4 1741 B12R0.206 C=CCOC(=O)COCCCCC 7a_100000210253_100000033060 [0,1,0,0,0,0|1,0,2]=4 1742 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000033060_100000210326 [0,1,0,0,0,0|1,0,2]=4 1743 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000210326_100000033060 [0,1,0,0,0,0|1,0,2]=4 1744 B12R0.206 CC#CCC(=O)C=CCCCCC 1458a_100016263427_100000748600 [0,1,0,0,0,0|1,0,1]=3 1745 B12R0.206 CC=CCC(=O)C=CCCCCC 1458a_100016263427_100000070051 [0,1,0,0,0,0|1,0,1]=3 1746 B12R0.206 CCC#CC(=O)CCCCCCC 1458a_100011827653_100000210614 [0,1,0,0,0,0|1,0,2]=4 1747 B12R0.206 CCC#CC(=O)NNCCCCC 22a_100000694160_100011827653 [0,1,0,0,0,0|3,0,0]=4 1748 B12R0.206 CCC/C=C/C=CC(=O)CCCC 1458a_200016258893_100000210211 [0,1,0,0,0,0|1,0,2]=4 1749 B12R0.206 CCC/C=C/C=CC(=O)CCCF 1458a_200016258893_100011934791 [0,1,0,0,0,0|1,0,2]=4 1750 B12R0.206 CCC/C=C/C=CC(=O)CCCO 1458a_200016258893_100011215043 [0,1,0,0,0,0|1,0,2]=4 1751 B12R0.206 CCC/C=C/C=CC(=O)CCOC 1458a_200016258893_100000233755 [0,1,0,0,0,0|1,0,2]=4 1752 B12R0.206 CCC/C=C/C=CC(=O)CCSC 1458a_200016258893_100000751147 [0,1,0,0,0,0|1,0,2]=4 1753 B12R0.206 CCC/C=C/C=CC(=O)NCCC 11a_100020643023_200016258893 [0,1,0,0,0,0|1,0,2]=4 1754 B12R0.206 CCC/C=C/C=CC(=O)NCCC 1626a_100020643023_200016258893 [0,1,0,0,0,0|1,0,2]=4 1755 B12R0.206 CCC/C=C/C=CC(=O)NCCC 240690a_100020643023_200016258893 [0,1,0,0,0,0|1,0,2]=4 1756 B12R0.206 CCC/C=C/C=CC(=O)NCCF 11a_100000724931_200016258893 [0,1,0,0,0,0|1,0,2]=4 1757 B12R0.206 CCC/C=C/C=CC(=O)NCCF 1626a_100000724931_200016258893 [0,1,0,0,0,0|1,0,2]=4 1758 B12R0.206 CCC/C=C/C=CC(=O)NCCF 240690a_100000724931_200016258893 [0,1,0,0,0,0|1,0,2]=4 1759 B12R0.206 CCC/C=C/C=CC(=O)NCCO 240690a_100000210304_200016258893 [0,1,0,0,0,0|1,0,2]=4 1760 B12R0.206 CCC/C=C/C=CC(=O)NNCC 22a_100000756455_200016258893 [0,1,0,0,0,0|1,0,2]=4 1761 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,1,0,0,0,0|1,0,2]=4 1762 B12R0.206 CCC=CC(=O)NCCCCCC 11a_100000210581_100000212282 [0,1,0,0,0,0|2,0,1]=4 1763 B12R0.206 CCC=CC(=O)NCCCCCC 1626a_100000210581_100000212282 [0,1,0,0,0,0|2,0,1]=4 1764 B12R0.206 CCC=CC(=O)NCCCCCC 240690a_100000210581_100000212282 [0,1,0,0,0,0|2,0,1]=4 1765 B12R0.206 CCC=CC(=O)NNCCCCC 22a_100000694160_100000212282 [0,1,0,0,0,0|3,0,0]=4 1766 B12R0.206 CCCC/C=C/CC(=O)CCCC 1458a_200016282684_100000210211 [0,1,0,0,0,0|1,0,2]=4 1767 B12R0.206 CCCC/C=C/CC(=O)CCCF 1458a_200016282684_100011934791 [0,1,0,0,0,0|1,0,2]=4 1768 B12R0.206 CCCC/C=C/CC(=O)CCCO 1458a_200016282684_100011215043 [0,1,0,0,0,0|1,0,2]=4 1769 B12R0.206 CCCC/C=C/CC(=O)CCOC 1458a_200016282684_100000233755 [0,1,0,0,0,0|1,0,2]=4 1770 B12R0.206 CCCC/C=C/CC(=O)CCSC 1458a_200016282684_100000751147 [0,1,0,0,0,0|1,0,2]=4 1771 B12R0.206 CCCC/C=C/CC(=O)NCCC 11a_100020643023_200016282684 [0,1,0,0,0,0|1,0,2]=4 1772 B12R0.206 CCCC/C=C/CC(=O)NCCC 1626a_100020643023_200016282684 [0,1,0,0,0,0|1,0,2]=4 1773 B12R0.206 CCCC/C=C/CC(=O)NCCC 240690a_100020643023_200016282684 [0,1,0,0,0,0|1,0,2]=4 1774 B12R0.206 CCCC/C=C/CC(=O)NCCC 527a_100020643023_200016282684 [0,1,0,0,0,0|1,0,2]=4 1775 B12R0.206 CCCC/C=C/CC(=O)NCCF 11a_100000724931_200016282684 [0,1,0,0,0,0|1,0,2]=4 1776 B12R0.206 CCCC/C=C/CC(=O)NCCF 1626a_100000724931_200016282684 [0,1,0,0,0,0|1,0,2]=4 1777 B12R0.206 CCCC/C=C/CC(=O)NCCF 240690a_100000724931_200016282684 [0,1,0,0,0,0|1,0,2]=4 1778 B12R0.206 CCCC/C=C/CC(=O)NCCF 527a_100000724931_200016282684 [0,1,0,0,0,0|1,0,2]=4 1779 B12R0.206 CCCC/C=C/CC(=O)NCCO 240690a_100000210304_200016282684 [0,1,0,0,0,0|1,0,2]=4 1780 B12R0.206 CCCC/C=C/CC(=O)NCCO 527a_100000210304_200016282684 [0,1,0,0,0,0|1,0,2]=4 1781 B12R0.206 CCCC/C=C/CC(=O)NNCC 22a_100000756455_200016282684 [0,1,0,0,0,0|1,0,2]=4 1782 B12R0.206 CCCCC=NNC(=O)COCC 4a_100000216846_100000210104 [0,1,0,0,0,0|2,0,1]=4 1783 B12R0.206 CCCCCC#CC(=O)CCCC 1458a_100011215388_100000210211 [0,1,0,0,0,0|1,0,2]=4 1784 B12R0.206 CCCCCC#CC(=O)CCCF 1458a_100011215388_100011934791 [0,1,0,0,0,0|1,0,2]=4 1785 B12R0.206 CCCCCC#CC(=O)CCCO 1458a_100011215388_100011215043 [0,1,0,0,0,0|1,0,2]=4 1786 B12R0.206 CCCCCC#CC(=O)CCOC 1458a_100011215388_100000233755 [0,1,0,0,0,0|1,0,2]=4 1787 B12R0.206 CCCCCC#CC(=O)CCSC 1458a_100011215388_100000751147 [0,1,0,0,0,0|1,0,2]=4 1788 B12R0.206 CCCCCC#CC(=O)NCCC 240690a_100020643023_100011215388 [0,1,0,0,0,0|1,0,2]=4 1789 B12R0.206 CCCCCC#CC(=O)NCCF 240690a_100000724931_100011215388 [0,1,0,0,0,0|1,0,2]=4 1790 B12R0.206 CCCCCC#CC(=O)NCCO 240690a_100000210304_100011215388 [0,1,0,0,0,0|1,0,2]=4 1791 B12R0.206 CCCCCC#CC(=O)NNCC 22a_100000756455_100011215388 [0,1,0,0,0,0|1,0,2]=4 1792 B12R0.206 CCCCCC=CC(=NNCC)C 4a_100000756455_100016257799 [0,1,0,0,0,0|2,0,0]=3 1793 B12R0.206 CCCCCC=CC(=O)CCC#N 1458a_100016263427_100011215226 [0,1,0,0,0,0|1,0,1]=3 1794 B12R0.206 CCCCCC=CC(=O)CCCC 1458a_100016263427_100000210211 [0,1,0,0,0,0|1,0,0]=2 1795 B12R0.206 CCCCCC=CC(=O)CCCF 1458a_100016263427_100011934791 [0,1,0,0,0,0|1,0,0]=2 1796 B12R0.206 CCCCCC=CC(=O)CCCO 1458a_100016263427_100011215043 [0,1,0,0,0,0|1,0,0]=2 1797 B12R0.206 CCCCCC=CC(=O)CCOC 1458a_100016263427_100000233755 [0,1,0,0,0,0|1,0,0]=2 1798 B12R0.206 CCCCCC=CC(=O)CCSC 1458a_100016263427_100000751147 [0,1,0,0,0,0|1,0,0]=2 1799 B12R0.206 CCCCCC=CC(=O)NCC#N 1626a_100000734998_100016263427 [0,1,0,0,0,0|1,0,1]=3 1800 B12R0.206 CCCCCC=CC(=O)NCCC 11a_100020643023_100016263427 [0,1,0,0,0,0|1,0,0]=2 1801 B12R0.206 CCCCCC=CC(=O)NCCC 1626a_100020643023_100016263427 [0,1,0,0,0,0|1,0,0]=2 1802 B12R0.206 CCCCCC=CC(=O)NCCC 240690a_100020643023_100016263427 [0,1,0,0,0,0|1,0,0]=2 1803 B12R0.206 CCCCCC=CC(=O)NCCF 11a_100000724931_100016263427 [0,1,0,0,0,0|1,0,0]=2 1804 B12R0.206 CCCCCC=CC(=O)NCCF 1626a_100000724931_100016263427 [0,1,0,0,0,0|1,0,0]=2 1805 B12R0.206 CCCCCC=CC(=O)NCCF 240690a_100000724931_100016263427 [0,1,0,0,0,0|1,0,0]=2 1806 B12R0.206 CCCCCC=CC(=O)NCCO 240690a_100000210304_100016263427 [0,1,0,0,0,0|1,0,0]=2 1807 B12R0.206 CCCCCC=CC(=O)NNCC 22a_100000756455_100016263427 [0,1,0,0,0,0|1,0,0]=2 1808 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,1,0,0,0,0|1,0,2]=4 1809 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,1,0,0,0,0|1,0,2]=4 1810 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,1,0,0,0,0|1,0,2]=4 1811 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,1,0,0,0,0|1,0,2]=4 1812 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,1,0,0,0,0|1,0,2]=4 1813 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,1,0,0,0,0|1,0,2]=4 1814 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,1,0,0,0,0|1,0,2]=4 1815 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,1,0,0,0,0|1,0,2]=4 1816 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,1,0,0,0,0|0,0,2]=3 1817 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,1,0,0,0,0|0,1,2]=4 1818 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,1,0,0,0,0|1,0,2]=4 1819 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,1,0,0,0,0|1,0,2]=4 1820 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,1,0,0,0,0|1,0,2]=4 1821 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,1,0,0,0,0|1,0,2]=4 1822 B12R0.206 CCCCCCCC(=O)NCCF 11a_100000724931_100000211969 [0,1,0,0,0,0|1,0,2]=4 1823 B12R0.206 CCCCCCCC(=O)NCCF 1626a_100000724931_100000211969 [0,1,0,0,0,0|1,0,2]=4 1824 B12R0.206 CCCCCCCC(=O)NCCF 240690a_100000724931_100000211969 [0,1,0,0,0,0|1,0,2]=4 1825 B12R0.206 CCCCCCCC(=O)NCCF 527a_100000724931_100000211969 [0,1,0,0,0,0|1,0,2]=4 1826 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [0,1,0,0,0,0|1,0,2]=4 1827 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [0,1,0,0,0,0|1,0,2]=4 1828 B12R0.206 CCCCCCCC(=O)NNCC 22a_100000756455_100000211969 [0,1,0,0,0,0|1,0,2]=4 1829 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [0,1,0,0,0,0|0,0,2]=3 1830 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [0,1,0,0,0,0|0,0,2]=3 1831 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [0,1,0,0,0,0|0,0,2]=3 1832 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [0,1,0,0,0,0|0,0,2]=3 1833 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [0,1,0,0,0,0|0,0,2]=3 1834 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [0,1,0,0,0,0|0,0,2]=3 1835 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,1,0,0,0,0|2,0,1]=4 1836 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,1,0,0,0,0|2,0,1]=4 1837 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,1,0,0,0,0|2,0,1]=4 1838 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,1,0,0,0,0|2,0,1]=4 1839 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,1,0,0,0,0|2,0,1]=4 1840 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,1,0,0,0,0|2,0,1]=4 1841 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,1,0,0,0,0|2,0,1]=4 1842 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,1,0,0,0,0|2,0,1]=4 1843 B12R0.206 CCCCCCNC(=O)CCSC 11a_100000210581_100000174002 [0,1,0,0,0,0|2,0,1]=4 1844 B12R0.206 CCCCCCNC(=O)CCSC 1626a_100000210581_100000174002 [0,1,0,0,0,0|2,0,1]=4 1845 B12R0.206 CCCCCCNC(=O)CCSC 240690a_100000210581_100000174002 [0,1,0,0,0,0|2,0,1]=4 1846 B12R0.206 CCCCCCNC(=O)CCSC 527a_100000210581_100000174002 [0,1,0,0,0,0|2,0,1]=4 1847 B12R0.206 CCCCCCNC(=O)CNCC 2230a_100015525214_100000230325 [0,1,0,0,0,0|2,0,1]=4 1848 B12R0.206 CCCCCCNC(=O)COCC 11a_100000210581_100000211967 [0,1,0,0,0,0|1,0,1]=3 1849 B12R0.206 CCCCCCNC(=O)COCC 1626a_100000210581_100000211967 [0,1,0,0,0,0|1,0,1]=3 1850 B12R0.206 CCCCCCNC(=O)COCC 240690a_100000210581_100000211967 [0,1,0,0,0,0|1,0,1]=3 1851 B12R0.206 CCCCCCNC(=O)COCC 34a_100121572206_100000230325 [0,1,0,0,0,0|1,0,1]=3 1852 B12R0.206 CCCCCCNC(=O)COCC 527a_100000210581_100000211967 [0,1,0,0,0,0|1,0,1]=3 1853 B12R0.206 CCCCCCNC(=O)CSCC 11a_100000210581_100000230394 [0,1,0,0,0,0|1,1,1]=4 1854 B12R0.206 CCCCCCNC(=O)CSCC 1626a_100000210581_100000230394 [0,1,0,0,0,0|1,1,1]=4 1855 B12R0.206 CCCCCCNC(=O)CSCC 240690a_100000210581_100000230394 [0,1,0,0,0,0|1,1,1]=4 1856 B12R0.206 CCCCCCNC(=O)CSCC 527a_100000210581_100000230394 [0,1,0,0,0,0|1,1,1]=4 1857 B12R0.206 CCCCCCNC(=O)CSCC 62a_100000230325_100000210202 [0,1,0,0,0,0|1,1,1]=4 1858 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100000210581_100020643023 [0,1,0,0,0,0|2,0,1]=4 1859 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100020643023_100000210581 [0,1,0,0,0,0|2,0,1]=4 1860 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100000210581_100020643023 [0,1,0,0,0,0|2,0,1]=4 1861 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100020643023_100000210581 [0,1,0,0,0,0|2,0,1]=4 1862 B12R0.206 CCCCCCNC(=O)NCCC 512a_100000210581_100020643023 [0,1,0,0,0,0|2,0,1]=4 1863 B12R0.206 CCCCCCNC(=O)NCCC 512a_100020643023_100000210581 [0,1,0,0,0,0|2,0,1]=4 1864 B12R0.206 CCCCCCNC(=O)NCCF 2708a_100000210581_100000724931 [0,1,0,0,0,0|2,0,1]=4 1865 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000210581_100000724931 [0,1,0,0,0,0|2,0,1]=4 1866 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000724931_100000210581 [0,1,0,0,0,0|2,0,1]=4 1867 B12R0.206 CCCCCCNC(=O)NCCF 512a_100000210581_100000724931 [0,1,0,0,0,0|2,0,1]=4 1868 B12R0.206 CCCCCCNC(=O)NCCO 2708a_100000210581_100000210304 [0,1,0,0,0,0|2,0,1]=4 1869 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210304_100000210581 [0,1,0,0,0,0|2,0,1]=4 1870 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210581_100000210304 [0,1,0,0,0,0|2,0,1]=4 1871 B12R0.206 CCCCCCNC(=O)NCCO 512a_100000210581_100000210304 [0,1,0,0,0,0|2,0,1]=4 1872 B12R0.206 CCCCCCNC(=O)NNCC 273464a_100000210581_100000756455 [0,1,0,0,0,0|2,0,1]=4 1873 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000210581_100000756455 [0,1,0,0,0,0|2,0,1]=4 1874 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000756455_100000210581 [0,1,0,0,0,0|2,0,1]=4 1875 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000174927_100000210326 [0,1,0,0,0,0|2,0,1]=4 1876 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000209983_100000183358 [0,1,0,0,0,0|2,0,1]=4 1877 B12R0.206 CCCCCNCC(=O)NCCF 2230a_100000725713_100000210326 [0,1,0,0,0,0|2,0,1]=4 1878 B12R0.206 CCCCCNCC(=O)OCCC 2230a_100000209983_200011215008 [0,1,0,0,0,0|1,0,1]=3 1879 B12R0.206 CCCCCNNC(=O)CCCC 22a_100000694160_100000210183 [0,1,0,0,0,0|3,0,0]=4 1880 B12R0.206 CCCCCNNC(=O)CCOC 22a_100000694160_100000749529 [0,1,0,0,0,0|3,0,0]=4 1881 B12R0.206 CCCCCNNC(=O)CCSC 22a_100000694160_100000174002 [0,1,0,0,0,0|3,0,0]=4 1882 B12R0.206 CCCCCNNC(=O)COCC 22a_100000694160_100000211967 [0,1,0,0,0,0|2,0,0]=3 1883 B12R0.206 CCCCCNNC(=O)CSCC 22a_100000694160_100000230394 [0,1,0,0,0,0|2,1,0]=4 1884 B12R0.206 CCCCCNNC(=O)NCCC 273464a_100020643023_100000694160 [0,1,0,0,0,0|3,0,0]=4 1885 B12R0.206 CCCCCNNC(=O)NCCC 512a_100000694160_100020643023 [0,1,0,0,0,0|3,0,0]=4 1886 B12R0.206 CCCCCNNC(=O)NCCC 512a_100020643023_100000694160 [0,1,0,0,0,0|3,0,0]=4 1887 B12R0.206 CCCCCNNC(=O)NCCF 273464a_100000724931_100000694160 [0,1,0,0,0,0|3,0,0]=4 1888 B12R0.206 CCCCCNNC(=O)NCCF 512a_100000694160_100000724931 [0,1,0,0,0,0|3,0,0]=4 1889 B12R0.206 CCCCCNNC(=O)NCCO 273464a_100000210304_100000694160 [0,1,0,0,0,0|3,0,0]=4 1890 B12R0.206 CCCCCNNC(=O)NCCO 512a_100000694160_100000210304 [0,1,0,0,0,0|3,0,0]=4 1891 B12R0.206 CCCCCNNC(=O)NNCC 512a_100000694160_100000756455 [0,1,0,0,0,0|3,0,0]=4 1892 B12R0.206 CCCCCNNC(=O)NNCC 512a_100000756455_100000694160 [0,1,0,0,0,0|3,0,0]=4 1893 B12R0.206 CCCCCOCC(=O)NCCC 34a_100000210253_100000183358 [0,1,0,0,0,0|2,0,1]=4 1894 B12R0.206 CCCCCOCC(=O)NCCC 7a_100000210253_100000183358 [0,1,0,0,0,0|2,0,1]=4 1895 B12R0.206 CCCCCOCC(=O)OCCC 34a_100000210253_200011215008 [0,1,0,0,0,0|1,0,1]=3 1896 B12R0.206 CCCCCOCC(=O)OCCC 7a_100000210253_200011215008 [0,1,0,0,0,0|1,0,1]=3 1897 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000183358_100000210326 [0,1,0,0,0,0|2,0,1]=4 1898 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000210326_100000183358 [0,1,0,0,0,0|2,0,1]=4 1899 B12R0.206 CCCCCSCC(=O)OCCC 62a_100000210326_200011215008 [0,1,0,0,0,0|1,0,1]=3 1900 B12R0.206 CCCCCSCC(=O)OCCC 62a_200011215008_100000210326 [0,1,0,0,0,0|1,0,1]=3 1901 B12R0.206 CCCCNCOC(=O)OCCC 7a_106832991798_200000139673 [0,1,0,0,0,0|2,0,1]=4 1902 B12R0.206 CCCCNN=C/C(=C/OCC)/C 4a_100025702795_200016998492 [0,1,0,0,0,0|3,0,0]=4 1903 B12R0.206 CCCCOCCC(=O)COCC 1458a_100000211967_100000743108 [0,1,0,0,0,0|1,0,2]=4 1904 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [0,1,0,0,0,0|2,0,1]=4 1905 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [0,1,0,0,0,0|2,0,1]=4 1906 B12R0.206 CCCCSCOC(=O)OCCC 62a_100000210211_200000139673 [0,1,0,0,0,0|2,0,1]=4 1907 B12R0.206 CCCOC(=O)CNCCCCO 2230a_100000750430_200011215008 [0,1,0,0,0,0|2,0,1]=4 1908 B12R0.206 CCCOC(=O)CNCCCCO 34a_100000750430_200011215008 [0,1,0,0,0,0|2,0,1]=4 1909 B12R0.206 CCCOC(=O)CNCCCOC 34a_100150723488_200011215008 [0,1,0,0,0,0|2,0,1]=4 1910 B12R0.206 CCCOC(=O)CNCCCSC 2230a_100000749238_200011215008 [0,1,0,0,0,0|2,0,1]=4 1911 B12R0.206 CCCOC(=O)CNCCOCC 2230a_102516460346_200011215008 [0,1,0,0,0,0|2,0,1]=4 1912 B12R0.206 CCCOC(=O)CNCCOCC 34a_102516460346_200011215008 [0,1,0,0,0,0|2,0,1]=4 1913 B12R0.206 CCCOC(=O)CNCCSCC 2230a_100000106463_200011215008 [0,1,0,0,0,0|2,0,1]=4 1914 B12R0.206 CCCOC(=O)COCCCCBr 34a_100011216708_200011215008 [0,1,0,0,0,0|2,0,1]=4 1915 B12R0.206 CCCOC(=O)COCCCCCl 34a_100000210776_200011215008 [0,1,0,0,0,0|2,0,1]=4 1916 B12R0.206 CCCOC(=O)COCCCCCl 7a_100000210776_200011215008 [0,1,0,0,0,0|2,0,1]=4 1917 B12R0.206 CCCOC(=O)COCCCCF 34a_100011995726_200011215008 [0,1,0,0,0,0|2,0,1]=4 1918 B12R0.206 CCCOC(=O)COCCCCF 7a_100011995726_200011215008 [0,1,0,0,0,0|2,0,1]=4 1919 B12R0.206 CCCOC(=O)COCCCCI 34a_200012148704_200011215008 [0,1,0,0,0,0|2,0,1]=4 1920 B12R0.206 CCCOC(=O)COCCCCN 34a_100000750430_200011215008 [0,1,0,0,0,0|2,0,1]=4 1921 B12R0.206 CCCOC(=O)COCCCNC 34a_100000213112_200011215008 [0,1,0,0,0,0|2,0,1]=4 1922 B12R0.206 CCCOC(=O)COCCCOC 34a_100000740835_200011215008 [0,1,0,0,0,0|2,0,1]=4 1923 B12R0.206 CCCOC(=O)COCCCSC 34a_100000690336_200011215008 [0,1,0,0,0,0|2,0,1]=4 1924 B12R0.206 CCCOC(=O)COCCCSC 7a_100000690336_200011215008 [0,1,0,0,0,0|2,0,1]=4 1925 B12R0.206 CCCOC(=O)COCCOCC 34a_100000210136_200011215008 [0,1,0,0,0,0|2,0,1]=4 1926 B12R0.206 CCCOC(=O)COCCOCC 7a_100000210136_200011215008 [0,1,0,0,0,0|2,0,1]=4 1927 B12R0.206 CCCOC(=O)COCCSCC 34a_100000212035_200011215008 [0,1,0,0,0,0|2,0,1]=4 1928 B12R0.206 CCCOC(=O)COCCSCC 7a_100000212035_200011215008 [0,1,0,0,0,0|2,0,1]=4 1929 B12R0.206 CCCOC(=O)CSCCCCF 62a_100000729493_200011215008 [0,1,0,0,0,0|2,0,1]=4 1930 B12R0.206 CCCOC(=O)CSCCCCF 62a_200011215008_100000729493 [0,1,0,0,0,0|2,0,1]=4 1931 B12R0.206 CCCOC(=O)CSCCCCO 62a_100000210776_200011215008 [0,1,0,0,0,0|2,0,1]=4 1932 B12R0.206 CCCOC(=O)CSCCCCO 62a_200011215008_100000210776 [0,1,0,0,0,0|2,0,1]=4 1933 B12R0.206 CCCOC(=O)CSCCCOC 62a_100000709357_200011215008 [0,1,0,0,0,0|2,0,1]=4 1934 B12R0.206 CCCOC(=O)CSCCCOC 62a_200011215008_100000709357 [0,1,0,0,0,0|2,0,1]=4 1935 B12R0.206 CCCOC(=O)CSCCOCC 62a_100000210147_200011215008 [0,1,0,0,0,0|2,0,1]=4 1936 B12R0.206 CCCOC(=O)CSCCOCC 62a_200011215008_100011215890 [0,1,0,0,0,0|2,0,1]=4 1937 B12R0.206 CCCOC(=O)CSCCSCC 62a_100000757381_200011215008 [0,1,0,0,0,0|2,0,1]=4 1938 B12R0.206 CCCOC(=O)CSCCSCC 62a_200011215008_100000757381 [0,1,0,0,0,0|2,0,1]=4 1939 B12R0.206 CCCOCCNC(=O)COCC 1626a_100161115042_100000211967 [0,1,0,0,0,0|2,0,1]=4 1940 B12R0.206 CCCOCCNC(=O)COCC 240690a_100161115042_100000211967 [0,1,0,0,0,0|2,0,1]=4 1941 B12R0.206 CCCOCCNC(=O)COCC 527a_100161115042_100000211967 [0,1,0,0,0,0|2,0,1]=4 1942 B12R0.206 CCCSCCNC(=O)COCC 11a_100020603323_100000211967 [0,1,0,0,0,0|2,0,1]=4 1943 B12R0.206 CCCSCCNC(=O)COCC 240690a_100020603323_100000211967 [0,1,0,0,0,0|2,0,1]=4 1944 B12R0.206 CCCSCCNC(=O)COCC 527a_100020603323_100000211967 [0,1,0,0,0,0|2,0,1]=4 1945 B12R0.206 CCOCC(=O)CCCCCCF 1458a_100000211967_100015922095 [0,1,0,0,0,0|1,0,2]=4 1946 B12R0.206 CCOCC(=O)CCCCCCO 1458a_100000211967_100000766143 [0,1,0,0,0,0|1,0,2]=4 1947 B12R0.206 CCOCC(=O)NCCCCCO 240690a_100000762737_100000211967 [0,1,0,0,0,0|2,0,1]=4 1948 B12R0.206 CCOCC(=O)NNCCCOC 22a_100025702787_100000211967 [0,1,0,0,0,0|3,0,0]=4 1949 B12R0.206 CCOCCCNC(=O)COCC 11a_100000210961_100000211967 [0,1,0,0,0,0|2,0,1]=4 1950 B12R0.206 CCOCCCNC(=O)COCC 1626a_100000210961_100000211967 [0,1,0,0,0,0|2,0,1]=4 1951 B12R0.206 CCOCCCNC(=O)COCC 240690a_100000210961_100000211967 [0,1,0,0,0,0|2,0,1]=4 1952 B12R0.206 CCOCCCNC(=O)COCC 527a_100000210961_100000211967 [0,1,0,0,0,0|2,0,1]=4 1953 B12R0.206 CCOCCNNC(=O)COCC 22a_100000732670_100000211967 [0,1,0,0,0,0|3,0,0]=4 1954 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000731252 [0,1,0,0,0,0|0,0,3]=4 1955 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000690238_100000188475 [0,1,0,0,0,0|0,0,3]=4 1956 B12R0.239 C#CCNCC(=CC(=O)OCC)C 34a_100000212058_100135422193 [0,1,0,0,0,0|1,0,2]=4 1957 B12R0.239 C#CCOCC(=CC(=O)OCC)C 34a_100000210247_100135422193 [0,1,0,0,0,0|1,0,2]=4 1958 B12R0.239 C#CCSCC(=CC(=O)OCC)C 62a_100000038162_100135422193 [0,1,0,0,0,0|1,0,2]=4 1959 B12R0.239 C=C(CCC)CC(=O)CCCCC 1458a_100000138376_100000210326 [0,1,0,0,0,0|2,0,1]=4 1960 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000757094 [0,1,0,0,0,0|0,0,3]=4 1961 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000766728_100000188475 [0,1,0,0,0,0|0,0,3]=4 1962 B12R0.239 C=CCNCC(=CC(=O)OCC)C 2230a_100020586998_100135422193 [0,1,0,0,0,0|1,0,2]=4 1963 B12R0.239 C=CCOCC(=CC(=O)OCC)C 34a_200000210373_100135422193 [0,1,0,0,0,0|1,0,2]=4 1964 B12R0.239 C=CCSCC(=CC(=O)OCC)C 62a_100000210623_100135422193 [0,1,0,0,0,0|1,0,2]=4 1965 B12R0.239 C=CCSCC(=CC(=O)OCC)C 62a_100135422193_100000210623 [0,1,0,0,0,0|1,0,2]=4 1966 B12R0.239 C=COC(=O)CC(=O)CCCCC 1458a_100000212188_100000036128 [0,1,0,0,0,0|0,0,3]=4 1967 B12R0.239 CC#CC(=O)CC(=O)CCCCC 1458a_100000763181_200012276598 [0,1,0,0,0,0|1,0,2]=4 1968 B12R0.239 CC/C=C/CC(=O)CC(=O)OCC 1458a_100016274230_100000188475 [0,1,0,0,0,0|0,0,3]=4 1969 B12R0.239 CC/C=C\CC(=O)CC(=O)OCC 1458a_100000243816_100103147603 [0,1,0,0,0,0|0,0,3]=4 1970 B12R0.239 CC=CC(=O)CC(=O)CCCCC 1458a_100000210699_200012276598 [0,1,0,0,0,0|1,0,2]=4 1971 B12R0.239 CCC#CCC(=O)CC(=O)OCC 1458a_100000243816_100009813939 [0,1,0,0,0,0|0,0,3]=4 1972 B12R0.239 CCCC#CC(=O)CC(=O)OCC 1458a_200011218047_100000188475 [0,1,0,0,0,0|0,0,3]=4 1973 B12R0.239 CCCC(=CC(=O)CCCCF)C 1458a_100020676950_100000729493 [0,1,0,0,0,0|3,0,0]=4 1974 B12R0.239 CCCC(=CC(=O)CCCCO)C 1458a_100020676950_100000210776 [0,1,0,0,0,0|3,0,0]=4 1975 B12R0.239 CCCC(=CC(=O)CCCOC)C 1458a_100020676950_100000740836 [0,1,0,0,0,0|3,0,0]=4 1976 B12R0.239 CCCC(=CC(=O)CCOCC)C 1458a_100020676950_100011215890 [0,1,0,0,0,0|3,0,0]=4 1977 B12R0.239 CCCC(=CC(=O)CCSCC)C 1458a_100020676950_100000757381 [0,1,0,0,0,0|3,0,0]=4 1978 B12R0.239 CCCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747444 [0,1,0,0,0,0|2,0,1]=4 1979 B12R0.239 CCCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747444 [0,1,0,0,0,0|2,0,1]=4 1980 B12R0.239 CCCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747444 [0,1,0,0,0,0|2,0,1]=4 1981 B12R0.239 CCCC(=O)CC(=O)CCOCC 1458a_100000749530_100000747444 [0,1,0,0,0,0|2,0,1]=4 1982 B12R0.239 CCCC(=O)CC(=O)CCSCC 1458a_100000230768_100000747444 [0,1,0,0,0,0|2,0,1]=4 1983 B12R0.239 CCCC=CC(=O)CC(=O)OCC 1458a_100000212230_100000188475 [0,1,0,0,0,0|0,0,3]=4 1984 B12R0.239 CCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210326 [0,1,0,0,0,0|2,0,0]=3 1985 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,1,0,0,0,0|1,0,1]=3 1986 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,1,0,0,0,0|1,0,1]=3 1987 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,1,0,0,0,0|2,0,1]=4 1988 B12R0.239 CCCCCC(=O)CC(=O)COC 1458a_100000210968_200012276598 [0,1,0,0,0,0|2,0,1]=4 1989 B12R0.239 CCCCCC(=O)CC(=O)CSC 1458a_100000184570_200012276598 [0,1,0,0,0,0|2,0,1]=4 1990 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [0,1,0,0,0,0|1,0,1]=3 1991 B12R0.239 CCCCCC(=O)CC(=O)NCO 1458a_100000212188_100000185155 [0,1,0,0,0,0|2,0,1]=4 1992 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [0,1,0,0,0,0|0,0,1]=2 1993 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [0,1,0,0,0,0|0,0,1]=2 1994 B12R0.239 CCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210326 [0,1,0,0,0,0|2,0,1]=4 1995 B12R0.239 CCCCCC(C)NC(=O)CCC 11a_100000211957_100000211992 [0,1,0,0,0,0|2,0,1]=4 1996 B12R0.239 CCCCCC(C)NC(=O)CCC 1626a_100000211957_100000211992 [0,1,0,0,0,0|2,0,1]=4 1997 B12R0.239 CCCCCC(C)NC(=O)CCC 240690a_100000211957_100000211992 [0,1,0,0,0,0|2,0,1]=4 1998 B12R0.239 CCCCCC(C)NC(=O)CCC 527a_100000211957_100000211992 [0,1,0,0,0,0|2,0,1]=4 1999 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100000211957_100015525214 [0,1,0,0,0,0|2,0,1]=4 2000 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100015525214_100000211957 [0,1,0,0,0,0|2,0,1]=4 2001 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100000211957_100015525214 [0,1,0,0,0,0|2,0,1]=4 2002 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100015525214_100000211957 [0,1,0,0,0,0|2,0,1]=4 2003 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100000211957_100015525214 [0,1,0,0,0,0|2,0,1]=4 2004 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100015525214_100000211957 [0,1,0,0,0,0|2,0,1]=4 2005 B12R0.239 CCCCCN(C)CC(=O)CCC 2230a_100000223495_100000747444 [0,1,0,0,0,0|2,0,1]=4 2006 B12R0.239 CCCCCN(C)CC(=O)CCC 269982a_100000223495_100000747444 [0,1,0,0,0,0|2,0,1]=4 2007 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000223495_100000183381 [0,1,0,0,0,0|2,0,1]=4 2008 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210326 [0,1,0,0,0,0|2,0,1]=4 2009 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000223495_100000183381 [0,1,0,0,0,0|2,0,1]=4 2010 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210215 [0,1,0,0,0,0|2,0,1]=4 2011 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210326 [0,1,0,0,0,0|1,0,1]=3 2012 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000223495_100000188475 [0,1,0,0,0,0|1,0,1]=3 2013 B12R0.239 CCCCCN(C)CC(=O)OCC 269982a_100000223495_100000188475 [0,1,0,0,0,0|1,0,1]=3 2014 B12R0.239 CCCCNC(=O)C=C(C)CCC 11a_100000102301_100020676950 [0,1,0,0,0,0|3,0,0]=4 2015 B12R0.239 CCCCNC(=O)C=C(C)CCC 1626a_100000102301_100020676950 [0,1,0,0,0,0|3,0,0]=4 2016 B12R0.239 CCCCNC(=O)C=C(C)CCC 240690a_100000102301_100020676950 [0,1,0,0,0,0|3,0,0]=4 2017 B12R0.239 CCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000182744 [0,1,0,0,0,0|2,0,1]=4 2018 B12R0.239 CCCCNC(=O)CC(=O)OCC 240690a_100000102301_100000243816 [0,1,0,0,0,0|1,0,1]=3 2019 B12R0.239 CCCCNC(C)CC(=O)OCC 2230a_100000102301_100009817359 [0,1,0,0,0,0|1,0,2]=4 2020 B12R0.239 CCCCNC(C)CC(=O)OCC 7a_106832991798_100009817359 [0,1,0,0,0,0|1,0,2]=4 2021 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [0,1,0,0,0,0|2,0,1]=4 2022 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [0,1,0,0,0,0|1,0,2]=4 2023 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [0,1,0,0,0,0|1,0,2]=4 2024 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100000210211_100009817359 [0,1,0,0,0,0|1,0,2]=4 2025 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100009817359_100000210210 [0,1,0,0,0,0|1,0,2]=4 2026 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000036008_100000210210 [0,1,0,0,0,0|2,0,1]=4 2027 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000210211_100000036008 [0,1,0,0,0,0|2,0,1]=4 2028 B12R0.239 CCCNNC(=O)CC(=O)OCC 22a_100000740057_100000243816 [0,1,0,0,0,0|2,0,1]=4 2029 B12R0.239 CCCOCC(=CC(=O)OCC)C 34a_100000210258_100135422193 [0,1,0,0,0,0|1,0,0]=2 2030 B12R0.239 CCCOCC(=O)CC(=O)CCC 1458a_100000745993_100000747444 [0,1,0,0,0,0|2,0,1]=4 2031 B12R0.239 CCCOCC(=O)CC(=O)NCC 1458a_100000745993_100000183381 [0,1,0,0,0,0|2,0,1]=4 2032 B12R0.239 CCCOCC(=O)CC(=O)OCC 1458a_100000745993_100000188475 [0,1,0,0,0,0|1,0,1]=3 2033 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [0,1,0,0,0,0|1,0,2]=4 2034 B12R0.239 CCCSCC(=CC(=O)OCC)C 62a_100000210303_100135422193 [0,1,0,0,0,0|1,0,0]=2 2035 B12R0.239 CCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210303 [0,1,0,0,0,0|1,0,0]=2 2036 B12R0.239 CCCSCC(=O)CC(=O)CCC 1458a_100000217233_100000747444 [0,1,0,0,0,0|2,0,1]=4 2037 B12R0.239 CCCSCC(=O)CC(=O)NCC 1458a_100000217233_100000183381 [0,1,0,0,0,0|2,0,1]=4 2038 B12R0.239 CCCSCC(=O)CC(=O)OCC 1458a_100000217233_100000188475 [0,1,0,0,0,0|1,0,1]=3 2039 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210303_100000210311 [0,1,0,0,0,0|1,0,1]=3 2040 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210303 [0,1,0,0,0,0|1,0,1]=3 2041 B12R0.239 CCCSCC(=O)NC(=O)NCC 62a_100000210303_100000183762 [0,1,0,0,0,0|3,0,0]=4 2042 B12R0.239 CCCSCC(=O)NC(=O)OCC 62a_100000210303_100000010344 [0,1,0,0,0,0|2,0,0]=3 2043 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000210303_100000688340 [0,1,0,0,0,0|1,0,2]=4 2044 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210303 [0,1,0,0,0,0|1,0,2]=4 2045 B12R0.239 CCNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183381 [0,1,0,0,0,0|2,0,1]=4 2046 B12R0.239 CCNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183381 [0,1,0,0,0,0|2,0,1]=4 2047 B12R0.239 CCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183381 [0,1,0,0,0,0|2,0,1]=4 2048 B12R0.239 CCNC(=O)CC(=O)CCOCC 1458a_100000749530_100000183381 [0,1,0,0,0,0|2,0,1]=4 2049 B12R0.239 CCNC(=O)CC(=O)CCSCC 1458a_100000230768_100000183381 [0,1,0,0,0,0|2,0,1]=4 2050 B12R0.239 CCNN=C/C(=C/C(=O)OCC)/C 4a_100000756455_200016988100 [0,1,0,0,0,0|2,0,1]=4 2051 B12R0.239 CCOC(=O)C=C(C)CNCCF 34a_100000724931_100135422193 [0,1,0,0,0,0|2,0,0]=3 2052 B12R0.239 CCOC(=O)C=C(C)CNCCO 2230a_100016997473_100135422193 [0,1,0,0,0,0|2,0,0]=3 2053 B12R0.239 CCOC(=O)C=C(C)CNCCO 34a_100016990907_100135422193 [0,1,0,0,0,0|2,0,0]=3 2054 B12R0.239 CCOC(=O)C=C(C)COCCBr 34a_100000211926_100135422193 [0,1,0,0,0,0|2,0,0]=3 2055 B12R0.239 CCOC(=O)C=C(C)COCCN 34a_100000210304_100135422193 [0,1,0,0,0,0|2,0,0]=3 2056 B12R0.239 CCOC(=O)C=C(C)CSCC#N 62a_100011215382_100135422193 [0,1,0,0,0,0|2,0,1]=4 2057 B12R0.239 CCOC(=O)C=C(C)CSCC#N 62a_100135422193_100011215382 [0,1,0,0,0,0|2,0,1]=4 2058 B12R0.239 CCOC(=O)C=C(C)CSCC=O 62a_100135422193_200015260668 [0,1,0,0,0,0|2,0,1]=4 2059 B12R0.239 CCOC(=O)C=C(C)CSCC=O 62a_200015260668_100135422193 [0,1,0,0,0,0|2,0,1]=4 2060 B12R0.239 CCOC(=O)C=C(C)CSCCF 62a_100011217306_100135422193 [0,1,0,0,0,0|2,0,0]=3 2061 B12R0.239 CCOC(=O)C=C(C)CSCCF 62a_100135422193_100011217306 [0,1,0,0,0,0|2,0,0]=3 2062 B12R0.239 CCOC(=O)C=C(C)CSCCO 62a_100000211926_100135422193 [0,1,0,0,0,0|2,0,0]=3 2063 B12R0.239 CCOC(=O)C=C(C)CSCCO 62a_100135422193_100000211926 [0,1,0,0,0,0|2,0,0]=3 2064 B12R0.239 CCOC(=O)C=C(C)CSCOC 62a_100000766300_100135422193 [0,1,0,0,0,0|2,0,0]=3 2065 B12R0.239 CCOC(=O)C=C(C)CSCOC 62a_100135422193_100000766300 [0,1,0,0,0,0|2,0,0]=3 2066 B12R0.239 CCOC(=O)C=C(C)CSCSC 62a_100011218213_100135422193 [0,1,0,0,0,0|2,0,0]=3 2067 B12R0.239 CCOC(=O)C=C(C)CSCSC 62a_100135422193_100011218213 [0,1,0,0,0,0|2,0,0]=3 2068 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000075515_100000188475 [0,1,0,0,0,0|1,0,2]=4 2069 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000243816_100000211468 [0,1,0,0,0,0|1,0,2]=4 2070 B12R0.239 CCOC(=O)CC(=O)CCCCF 1458a_100000243816_100000729493 [0,1,0,0,0,0|1,0,1]=3 2071 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000243816_100000210776 [0,1,0,0,0,0|1,0,1]=3 2072 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000188475 [0,1,0,0,0,0|1,0,1]=3 2073 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000243816_100000740836 [0,1,0,0,0,0|1,0,1]=3 2074 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000188475 [0,1,0,0,0,0|1,0,1]=3 2075 B12R0.239 CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000188475 [0,1,0,0,0,0|1,0,1]=3 2076 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000188475 [0,1,0,0,0,0|1,0,1]=3 2077 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000243816_100000757381 [0,1,0,0,0,0|1,0,1]=3 2078 B12R0.239 CCOC(=O)CC(=O)COCCO 1458a_100000708028_100000188475 [0,1,0,0,0,0|2,0,1]=4 2079 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100000210311_100011217306 [0,1,0,0,0,0|2,0,1]=4 2080 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100011217306_100000210311 [0,1,0,0,0,0|2,0,1]=4 2081 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000210311_100000211926 [0,1,0,0,0,0|2,0,1]=4 2082 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000211926_100000210311 [0,1,0,0,0,0|2,0,1]=4 2083 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000210311_100000766300 [0,1,0,0,0,0|2,0,1]=4 2084 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000766300_100000210311 [0,1,0,0,0,0|2,0,1]=4 2085 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100000210311_100011218213 [0,1,0,0,0,0|2,0,1]=4 2086 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100011218213_100000210311 [0,1,0,0,0,0|2,0,1]=4 2087 B12R0.239 CCOC(=O)CC(=O)NCCCF 240690a_100015189416_100000243816 [0,1,0,0,0,0|2,0,1]=4 2088 B12R0.239 CCOC(=O)CC(=O)NCCCO 240690a_100000182051_100000243816 [0,1,0,0,0,0|2,0,1]=4 2089 B12R0.239 CCOC(=O)CC(=O)NCCOC 240690a_100000209980_100000243816 [0,1,0,0,0,0|2,0,1]=4 2090 B12R0.239 CCOC(=O)CC(=O)NCCSC 240690a_100020590264_100000243816 [0,1,0,0,0,0|2,0,1]=4 2091 B12R0.239 CCOC(=O)CN(C)CCCCF 2230a_100000220588_100000729493 [0,1,0,0,0,0|2,0,1]=4 2092 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000220588_100000210776 [0,1,0,0,0,0|2,0,1]=4 2093 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000717598_100000188475 [0,1,0,0,0,0|2,0,1]=4 2094 B12R0.239 CCOC(=O)CN(C)CCCCO 269982a_100000717598_100000188475 [0,1,0,0,0,0|2,0,1]=4 2095 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000220588_100000740836 [0,1,0,0,0,0|2,0,1]=4 2096 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000224831_100000188475 [0,1,0,0,0,0|2,0,1]=4 2097 B12R0.239 CCOC(=O)CN(C)CCCOC 269982a_100000224831_100000188475 [0,1,0,0,0,0|2,0,1]=4 2098 B12R0.239 CCOC(=O)CN(C)CCSCC 2230a_100000220588_100000757381 [0,1,0,0,0,0|2,0,1]=4 2099 B12R0.239 CCOC(=O)NC(=O)CSCCF 62a_100011217306_100000010344 [0,1,0,0,0,0|3,0,0]=4 2100 B12R0.239 CCOC(=O)NC(=O)CSCCO 62a_100000211926_100000010344 [0,1,0,0,0,0|3,0,0]=4 2101 B12R0.239 CCOC(=O)NC(=O)CSCOC 62a_100000766300_100000010344 [0,1,0,0,0,0|3,0,0]=4 2102 B12R0.239 CCOC(=O)NC(=O)CSCSC 62a_100011218213_100000010344 [0,1,0,0,0,0|3,0,0]=4 2103 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215890 [0,1,0,0,0,0|1,0,1]=3 2104 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000749530_100000188475 [0,1,0,0,0,0|1,0,1]=3 2105 B12R0.239 CCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215890 [0,1,0,0,0,0|2,0,1]=4 2106 B12R0.276 C#CC(C)NC/C=C/C(=O)OCC 2230a_100000707721_100016267167 [0,1,0,0,0,0|1,0,2]=4 2107 B12R0.276 C#CC(C)NC/C=C/C(=O)OCC 34a_100000707721_100016267167 [0,1,0,0,0,0|1,0,2]=4 2108 B12R0.276 C#CC(C)SC/C=C/C(=O)OCC 62a_200000035995_100016267167 [0,1,0,0,0,0|1,0,2]=4 2109 B12R0.276 C#C[C@@H](C)OC/C=C/C(=O)OCC 34a_100009815206_100016267167 [0,1,0,0,0,0|1,0,2]=4 2110 B12R0.276 C#C[C@@H](C)OC/C=C/C(=O)OCC 7a_100009815206_100016267167 [0,1,0,0,0,0|1,0,2]=4 2111 B12R0.276 C=CC(C)OC/C=C/C(=O)OCC 34a_100000695699_100016267167 [0,1,0,0,0,0|1,0,2]=4 2112 B12R0.276 C=CC(C)SC/C=C/C(=O)OCC 62a_100011215867_100016267167 [0,1,0,0,0,0|1,0,2]=4 2113 B12R0.276 CCCC(=O)CNCCC(C)CC 2230a_100020591266_100000747444 [0,1,0,0,0,0|2,0,1]=4 2114 B12R0.276 CCCC(=O)COCCC(C)CC 7a_100011215188_100000747444 [0,1,0,0,0,0|2,0,1]=4 2115 B12R0.276 CCNC(=O)CNCCC(C)CC 2230a_100020591266_100000183381 [0,1,0,0,0,0|2,0,1]=4 2116 B12R0.276 CCNC(=O)COCCC(C)CC 7a_100011215188_100000183381 [0,1,0,0,0,0|2,0,1]=4 2117 B12R0.276 CCOC(=O)/C=C/CNC(C)C#N 2230a_100000737613_100016267167 [0,1,0,0,0,0|2,0,1]=4 2118 B12R0.276 CCOC(=O)/C=C/CNC(C)CC 2230a_100000209981_100016267167 [0,1,0,0,0,0|1,0,0]=2 2119 B12R0.276 CCOC(=O)/C=C/CN[C@H](C)CO 2230a_100000737577_100016267167 [0,1,0,0,0,0|2,0,0]=3 2120 B12R0.276 CCOC(=O)/C=C/COC(C)C#N 34a_100011218135_100016267167 [0,1,0,0,0,0|2,0,1]=4 2121 B12R0.276 CCOC(=O)/C=C/COC(C)CC 7a_100000210228_100016267167 [0,1,0,0,0,0|1,0,0]=2 2122 B12R0.276 CCOC(=O)/C=C/COC(C)CF 34a_100016041109_100016267167 [0,1,0,0,0,0|2,0,0]=3 2123 B12R0.276 CCOC(=O)/C=C/COC(C)CF 7a_100016041109_100016267167 [0,1,0,0,0,0|2,0,0]=3 2124 B12R0.276 CCOC(=O)/C=C/COC(C)CN 34a_100000210904_100016267167 [0,1,0,0,0,0|2,0,0]=3 2125 B12R0.276 CCOC(=O)/C=C/CSC(C)C#N 62a_100000703298_100016267167 [0,1,0,0,0,0|2,0,1]=4 2126 B12R0.276 CCOC(=O)/C=C/CSC(C)C#N 62a_100016267167_100000703298 [0,1,0,0,0,0|2,0,1]=4 2127 B12R0.276 CCOC(=O)/C=C/CSC(C)CC 62a_100000758301_100016267167 [0,1,0,0,0,0|1,0,0]=2 2128 B12R0.276 CCOC(=O)/C=C/CSC(C)CC 62a_100016267167_100000758301 [0,1,0,0,0,0|1,0,0]=2 2129 B12R0.276 CCOC(=O)/C=C/CSC(C)CO 62a_100012180447_100016267167 [0,1,0,0,0,0|2,0,0]=3 2130 B12R0.276 CCOC(=O)/C=C/CSC(C)OC 62a_100009879195_100016267167 [0,1,0,0,0,0|2,0,0]=3 2131 B12R0.276 CCOC(=O)/C=C/CSC(C)OC 62a_100016267167_100009879195 [0,1,0,0,0,0|2,0,0]=3 2132 B12R0.276 CCOC(=O)/C=C/CSC(F)C#N 62a_100016267167_200000117898 [0,1,0,0,0,0|2,0,1]=4 2133 B12R0.276 CCOC(=O)/C=C/CSC(F)C#N 62a_200000117898_100016267167 [0,1,0,0,0,0|2,0,1]=4 2134 B12R0.276 CCOC(=O)/C=C/CS[C@H](C)CO 62a_100016084084_100016267167 [0,1,0,0,0,0|2,0,0]=3 2135 B12R0.276 CCOC(=O)/C=C/CS[C@H](C)CO 62a_100016267167_100016084084 [0,1,0,0,0,0|2,0,0]=3 2136 B12R0.276 CCOC(=O)C=NNCC(O)CC 4a_100015206393_100000742314 [0,1,0,0,0,0|2,0,0]=3 2137 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [0,1,0,0,0,0|0,0,3]=4 2138 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [0,1,0,0,0,0|0,0,3]=4 2139 B12R0.276 CCOC(=O)CCCCN(C)CC 2230a_100000225621_100000750268 [0,1,0,0,0,0|1,0,2]=4 2140 B12R0.276 CCOC(=O)CCCCN(C)CC 269982a_100000225621_100000750268 [0,1,0,0,0,0|1,0,2]=4 2141 B12R0.276 CCOC(=O)CCCNC(C)CC 2230a_100000209981_100009991533 [0,1,0,0,0,0|1,0,2]=4 2142 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100000210228_100011215271 [0,1,0,0,0,0|1,0,2]=4 2143 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100012001163_100000758301 [0,1,0,0,0,0|1,0,2]=4 2144 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100000758301_100009991533 [0,1,0,0,0,0|1,0,2]=4 2145 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100009991533_100000758301 [0,1,0,0,0,0|1,0,2]=4 2146 B12R0.276 CCOC(=O)CCNCC(C)CC 2230a_100020588543_100011206558 [0,1,0,0,0,0|1,0,2]=4 2147 B12R0.276 CCOC(=O)CCNCC(O)CC 2230a_100011218483_100011206558 [0,1,0,0,0,0|1,0,2]=4 2148 B12R0.276 CCOC(=O)CCOC[C@@H](C)CC 7a_100009816381_100011206558 [0,1,0,0,0,0|1,0,2]=4 2149 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000748023_100000765890 [0,1,0,0,0,0|1,0,2]=4 2150 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000765890_100000748023 [0,1,0,0,0,0|1,0,2]=4 2151 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100000765890_100011218378 [0,1,0,0,0,0|1,0,2]=4 2152 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100011218378_100000765890 [0,1,0,0,0,0|1,0,2]=4 2153 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100000765890_100009816398 [0,1,0,0,0,0|1,0,2]=4 2154 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000765890 [0,1,0,0,0,0|1,0,2]=4 2155 B12R0.276 CCOC(=O)CNCCC(C)CC 2230a_100020591266_100000188475 [0,1,0,0,0,0|1,0,1]=3 2156 B12R0.276 CCOC(=O)CNCCC(C)CO 2230a_106354213184_100000188475 [0,1,0,0,0,0|2,0,1]=4 2157 B12R0.276 CCOC(=O)CNCCC(C)CO 34a_106354213184_100000188475 [0,1,0,0,0,0|2,0,1]=4 2158 B12R0.276 CCOC(=O)COCCC(=O)CC 1458a_100000210414_100000088970 [0,1,0,0,0,0|1,0,2]=4 2159 B12R0.276 CCOC(=O)COCCC(C)CC 7a_100011215188_100000188475 [0,1,0,0,0,0|1,0,1]=3 2160 B12R0.276 CCOC(=O)COCCC(C)OC 7a_100000764861_100000188475 [0,1,0,0,0,0|2,0,1]=4 2161 B12R0.276 CCOC(=O)COCCN(C)CC 2230a_100000225621_100000088970 [0,1,0,0,0,0|2,0,1]=4 2162 B12R0.276 CCOC(=O)COCCN(C)CC 269982a_100000225621_100000088970 [0,1,0,0,0,0|2,0,1]=4 2163 B12R0.276 CCOC(=O)NCCOC(C)CC 34a_100000158857_100011215416 [0,1,0,0,0,0|2,0,1]=4 2164 B12R0.276 CCOC(=O)NCCOC(C)CC 7a_100000210228_200011445536 [0,1,0,0,0,0|2,0,1]=4 2165 B12R0.276 CCOC(=O)NCCSC(C)CC 62a_100000758301_200011445536 [0,1,0,0,0,0|2,0,1]=4 2166 B12R0.276 CCOC(=O)OCSCC(C)CC 62a_100000748023_100000075025 [0,1,0,0,0,0|2,0,1]=4 2167 B12R0.276 CCOC(=O)OCSCC(O)CC 62a_100011218378_100000075025 [0,1,0,0,0,0|2,0,1]=4 2168 B12R0.276 CCOC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000075025 [0,1,0,0,0,0|2,0,1]=4 2169 B12R0.276 CCOC(=O)[CH-]C=NNC(C)CC 4a_100000718999_100010622808 [0,1,0,0,0,0|2,0,1]=4 2170 B12R0.277 C=C(C)COC/C=C/C(=O)OCC 34a_100000210245_100016267167 [0,1,0,0,0,0|1,0,1]=3 2171 B12R0.277 C=C(C)CSC/C=C/C(=O)OCC 62a_100000748629_100016267167 [0,1,0,0,0,0|1,0,1]=3 2172 B12R0.277 C=C(C)CSC/C=C/C(=O)OCC 62a_100016267167_100000211660 [0,1,0,0,0,0|1,0,1]=3 2173 B12R0.277 C=C(F)COC/C=C/C(=O)OCC 34a_200010262243_100016267167 [0,1,0,0,0,0|1,0,2]=4 2174 B12R0.277 C=C(F)CSC/C=C/C(=O)OCC 62a_100000042424_100016267167 [0,1,0,0,0,0|1,0,2]=4 2175 B12R0.277 C=C(F)CSC/C=C/C(=O)OCC 62a_100016267167_100000042424 [0,1,0,0,0,0|1,0,2]=4 2176 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,1,0,0,0,0|1,0,2]=4 2177 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,1,0,0,0,0|1,0,2]=4 2178 B12R0.277 CCCC(=O)CNCCCC(C)C 2230a_200000737386_100000747444 [0,1,0,0,0,0|2,0,1]=4 2179 B12R0.277 CCCC(=O)COCCCC(C)C 7a_100000210774_100000747444 [0,1,0,0,0,0|2,0,1]=4 2180 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100000747444_100011214892 [0,1,0,0,0,0|2,0,1]=4 2181 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100011214892_100000747444 [0,1,0,0,0,0|2,0,1]=4 2182 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_100000747444_200000718107 [0,1,0,0,0,0|2,0,1]=4 2183 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_200000718107_100000747444 [0,1,0,0,0,0|2,0,1]=4 2184 B12R0.277 CCNC(=O)CCCCCC(C)C 11a_100015525214_100000766313 [0,1,0,0,0,0|1,0,2]=4 2185 B12R0.277 CCNC(=O)CCCCCC(C)C 240690a_100015525214_100000766313 [0,1,0,0,0,0|1,0,2]=4 2186 B12R0.277 CCNC(=O)CCCCCC(C)C 527a_100015525214_100000766313 [0,1,0,0,0,0|1,0,2]=4 2187 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_100016988866_100011214892 [0,1,0,0,0,0|2,0,1]=4 2188 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_200000737386_100000183381 [0,1,0,0,0,0|2,0,1]=4 2189 B12R0.277 CCNC(=O)CNCCCC(C)C 34a_200000737386_100000183381 [0,1,0,0,0,0|2,0,1]=4 2190 B12R0.277 CCNC(=O)CNCCCC(C)O 2230a_100016988866_200000718107 [0,1,0,0,0,0|2,0,1]=4 2191 B12R0.277 CCNC(=O)COCCCC(C)C 34a_100000210774_100000183381 [0,1,0,0,0,0|2,0,1]=4 2192 B12R0.277 CCNC(=O)COCCCC(C)C 7a_100000210774_100000183381 [0,1,0,0,0,0|2,0,1]=4 2193 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100000183381_100011214892 [0,1,0,0,0,0|2,0,1]=4 2194 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100011214892_100000183381 [0,1,0,0,0,0|2,0,1]=4 2195 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_100000183381_200000718107 [0,1,0,0,0,0|2,0,1]=4 2196 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_200000718107_100000183381 [0,1,0,0,0,0|2,0,1]=4 2197 B12R0.277 CCOC(=O)/C=C/CNCC(=O)N 2230a_100000711301_100016267167 [0,1,0,0,0,0|2,0,1]=4 2198 B12R0.277 CCOC(=O)/C=C/CNCC(=O)O 269956a_100016091260_100016267167 [0,1,0,0,0,0|2,0,1]=4 2199 B12R0.277 CCOC(=O)/C=C/CNCC(C)C 2230a_100000210953_100016267167 [0,1,0,0,0,0|1,0,0]=2 2200 B12R0.277 CCOC(=O)/C=C/CNCC(C)C 34a_100000210953_100016267167 [0,1,0,0,0,0|1,0,0]=2 2201 B12R0.277 CCOC(=O)/C=C/CNCC(C)O 2230a_100000210904_100016267167 [0,1,0,0,0,0|1,0,0]=2 2202 B12R0.277 CCOC(=O)/C=C/CNCC(C)O 34a_100000210904_100016267167 [0,1,0,0,0,0|1,0,0]=2 2203 B12R0.277 CCOC(=O)/C=C/CNCC(F)F 34a_100000765723_100016267167 [0,1,0,0,0,0|2,0,0]=3 2204 B12R0.277 CCOC(=O)/C=C/COCC(=O)C 34a_100000211253_100016267167 [0,1,0,0,0,0|1,0,1]=3 2205 B12R0.277 CCOC(=O)/C=C/COCC(C)Br 34a_100012180447_100016267167 [0,1,0,0,0,0|1,0,0]=2 2206 B12R0.277 CCOC(=O)/C=C/COCC(C)C 34a_100000210257_100016267167 [0,1,0,0,0,0|1,0,0]=2 2207 B12R0.277 CCOC(=O)/C=C/COCC(C)F 34a_100015925927_100016267167 [0,1,0,0,0,0|1,0,0]=2 2208 B12R0.277 CCOC(=O)/C=C/COCC(F)F 34a_100000743014_100016267167 [0,1,0,0,0,0|2,0,0]=3 2209 B12R0.277 CCOC(=O)/C=C/COC[C@@H](C)Cl 34a_100016084084_100016267167 [0,1,0,0,0,0|1,0,0]=2 2210 B12R0.277 CCOC(=O)/C=C/COC[C@@H](C)N 34a_100000737577_100016267167 [0,1,0,0,0,0|1,0,0]=2 2211 B12R0.277 CCOC(=O)/C=C/CSCC(=O)N 62a_100000747473_100016267167 [0,1,0,0,0,0|2,0,1]=4 2212 B12R0.277 CCOC(=O)/C=C/CSCC(=O)N 62a_100016267167_100000747473 [0,1,0,0,0,0|2,0,1]=4 2213 B12R0.277 CCOC(=O)/C=C/CSCC(=O)[O-] 62a_100016267167_100020667443 [0,1,0,0,0,0|2,0,1]=4 2214 B12R0.277 CCOC(=O)/C=C/CSCC(=O)[O-] 62a_100020667443_100016267167 [0,1,0,0,0,0|2,0,1]=4 2215 B12R0.277 CCOC(=O)/C=C/CSCC(C)C 62a_100000210624_100016267167 [0,1,0,0,0,0|1,0,0]=2 2216 B12R0.277 CCOC(=O)/C=C/CSCC(C)C 62a_100016267167_100000210760 [0,1,0,0,0,0|1,0,0]=2 2217 B12R0.277 CCOC(=O)/C=C/CSCC(C)O 62a_100011218427_100016267167 [0,1,0,0,0,0|1,0,0]=2 2218 B12R0.277 CCOC(=O)/C=C/CSCC(C)O 62a_100016267167_100011218427 [0,1,0,0,0,0|1,0,0]=2 2219 B12R0.277 CCOC(=O)/C=C/CSCC(F)F 62a_100011934356_100016267167 [0,1,0,0,0,0|2,0,0]=3 2220 B12R0.277 CCOC(=O)/C=C/CSCC(F)F 62a_100016267167_100011934356 [0,1,0,0,0,0|2,0,0]=3 2221 B12R0.277 CCOC(=O)/C=C/CSC[C@@H](C)O 62a_100009817552_100016267167 [0,1,0,0,0,0|1,0,0]=2 2222 B12R0.277 CCOC(=O)/C=C/CSC[C@@H](C)O 62a_100016267167_100009817552 [0,1,0,0,0,0|1,0,0]=2 2223 B12R0.277 CCOC(=O)/C=C/CSC[N+](=O)[O-] 62a_100016267167_100000761209 [0,1,0,0,0,0|3,0,0]=4 2224 B12R0.277 CCOC(=O)C=CC=NNC(C)C 4a_100000741168_100016289910 [0,1,0,0,0,0|2,0,1]=4 2225 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,1,0,0,0,0|0,0,3]=4 2226 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,1,0,0,0,0|0,0,3]=4 2227 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,1,0,0,0,0|0,0,3]=4 2228 B12R0.277 CCOC(=O)CCCCCN(C)C 2230a_100102631434_100000755133 [0,1,0,0,0,0|1,0,2]=4 2229 B12R0.277 CCOC(=O)CCCCCN(C)C 269982a_100102631434_100000755133 [0,1,0,0,0,0|1,0,2]=4 2230 B12R0.277 CCOC(=O)CCCCNC(C)C 2230a_100138425928_100000750268 [0,1,0,0,0,0|1,0,2]=4 2231 B12R0.277 CCOC(=O)CCCCNC(C)C 34a_100138425928_100000750268 [0,1,0,0,0,0|1,0,2]=4 2232 B12R0.277 CCOC(=O)CCCCOC(C)C 34a_100000212225_100000750268 [0,1,0,0,0,0|1,0,2]=4 2233 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000210206_100000750268 [0,1,0,0,0,0|1,0,2]=4 2234 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000750268_100000210206 [0,1,0,0,0,0|1,0,2]=4 2235 B12R0.277 CCOC(=O)CCCNCC(C)C 2230a_100000210953_100009991533 [0,1,0,0,0,0|1,0,2]=4 2236 B12R0.277 CCOC(=O)CCCNCC(C)C 34a_100000210953_100009991533 [0,1,0,0,0,0|1,0,2]=4 2237 B12R0.277 CCOC(=O)CCCNCC(C)O 2230a_100000210904_100009991533 [0,1,0,0,0,0|1,0,2]=4 2238 B12R0.277 CCOC(=O)CCCNCC(C)O 34a_100000210904_100009991533 [0,1,0,0,0,0|1,0,2]=4 2239 B12R0.277 CCOC(=O)CCCOCC(C)Br 34a_100012180447_100009991533 [0,1,0,0,0,0|1,0,2]=4 2240 B12R0.277 CCOC(=O)CCCOCC(C)C 34a_100000210257_100009991533 [0,1,0,0,0,0|1,0,2]=4 2241 B12R0.277 CCOC(=O)CCCOCC(C)C 7a_100012001163_100000210760 [0,1,0,0,0,0|1,0,2]=4 2242 B12R0.277 CCOC(=O)CCCOCC(C)F 34a_100015925927_100009991533 [0,1,0,0,0,0|1,0,2]=4 2243 B12R0.277 CCOC(=O)CCCOCC(C)O 7a_100012001163_100011218427 [0,1,0,0,0,0|1,0,2]=4 2244 B12R0.277 CCOC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100009991533 [0,1,0,0,0,0|1,0,2]=4 2245 B12R0.277 CCOC(=O)CCCOC[C@@H](C)N 34a_100000737577_100009991533 [0,1,0,0,0,0|1,0,2]=4 2246 B12R0.277 CCOC(=O)CCCOC[C@@H](C)O 7a_100012001163_100009817552 [0,1,0,0,0,0|1,0,2]=4 2247 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100000210624_100009991533 [0,1,0,0,0,0|1,0,2]=4 2248 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100009991533_100000210760 [0,1,0,0,0,0|1,0,2]=4 2249 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100009991533_100011218427 [0,1,0,0,0,0|1,0,2]=4 2250 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100011218427_100009991533 [0,1,0,0,0,0|1,0,2]=4 2251 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009817552_100009991533 [0,1,0,0,0,0|1,0,2]=4 2252 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009991533_100009817552 [0,1,0,0,0,0|1,0,2]=4 2253 B12R0.277 CCOC(=O)CCNCCC(C)O 2230a_200000755665_100011206558 [0,1,0,0,0,0|1,0,2]=4 2254 B12R0.277 CCOC(=O)CCOCCC(C)Br 34a_100009893172_100000765890 [0,1,0,0,0,0|1,0,2]=4 2255 B12R0.277 CCOC(=O)CCOCCC(C)C 34a_100000210254_100000765890 [0,1,0,0,0,0|1,0,2]=4 2256 B12R0.277 CCOC(=O)CCOCCC(C)C 7a_100000210254_100011206558 [0,1,0,0,0,0|1,0,2]=4 2257 B12R0.277 CCOC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000765890 [0,1,0,0,0,0|1,0,2]=4 2258 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000210312_100000765890 [0,1,0,0,0,0|1,0,2]=4 2259 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000765890_100000210312 [0,1,0,0,0,0|1,0,2]=4 2260 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100000765890_100012276601 [0,1,0,0,0,0|1,0,2]=4 2261 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100012276601_100000765890 [0,1,0,0,0,0|1,0,2]=4 2262 B12R0.277 CCOC(=O)CNCCCC(C)C 2230a_200000737386_100000188475 [0,1,0,0,0,0|1,0,1]=3 2263 B12R0.277 CCOC(=O)CNCCCC(C)C 34a_200000737386_100000188475 [0,1,0,0,0,0|1,0,1]=3 2264 B12R0.277 CCOC(=O)CNCCCS(=O)C 2230a_200000753449_100000188475 [0,1,0,0,0,0|2,0,1]=4 2265 B12R0.277 CCOC(=O)CNCCOC(C)C 2230a_100000701111_100000188475 [0,1,0,0,0,0|2,0,1]=4 2266 B12R0.277 CCOC(=O)CNCCOC(C)C 34a_100000701111_100000188475 [0,1,0,0,0,0|2,0,1]=4 2267 B12R0.277 CCOC(=O)CNCCSC(C)C 2230a_100000731138_100000188475 [0,1,0,0,0,0|2,0,1]=4 2268 B12R0.277 CCOC(=O)CNCCSC(C)C 34a_100000731138_100000188475 [0,1,0,0,0,0|2,0,1]=4 2269 B12R0.277 CCOC(=O)COCCCC(=O)C 1458a_100000070787_100009893628 [0,1,0,0,0,0|1,0,2]=4 2270 B12R0.277 CCOC(=O)COCCCC(=O)C 34a_100000759063_100000188475 [0,1,0,0,0,0|1,0,2]=4 2271 B12R0.277 CCOC(=O)COCCCC(=O)C 7a_100000759063_100000188475 [0,1,0,0,0,0|1,0,2]=4 2272 B12R0.277 CCOC(=O)COCCCC(C)C 34a_100000210774_100000188475 [0,1,0,0,0,0|1,0,1]=3 2273 B12R0.277 CCOC(=O)COCCCC(C)C 7a_100000210774_100000188475 [0,1,0,0,0,0|1,0,1]=3 2274 B12R0.277 CCOC(=O)COCCCN(C)C 2230a_100102631434_100009893628 [0,1,0,0,0,0|2,0,1]=4 2275 B12R0.277 CCOC(=O)COCCCN(C)C 269982a_100102631434_100009893628 [0,1,0,0,0,0|2,0,1]=4 2276 B12R0.277 CCOC(=O)COCCNC(C)C 2230a_100138425928_100000088970 [0,1,0,0,0,0|2,0,1]=4 2277 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100000224655_100000188475 [0,1,0,0,0,0|2,0,1]=4 2278 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100138425928_100000088970 [0,1,0,0,0,0|2,0,1]=4 2279 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000211219_100000188475 [0,1,0,0,0,0|2,0,1]=4 2280 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000212225_100000088970 [0,1,0,0,0,0|2,0,1]=4 2281 B12R0.277 CCOC(=O)COCCOC(C)C 7a_100000211219_100000188475 [0,1,0,0,0,0|2,0,1]=4 2282 B12R0.277 CCOC(=O)COCCSC(C)C 34a_200011212901_100000188475 [0,1,0,0,0,0|2,0,1]=4 2283 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000088970_100000210206 [0,1,0,0,0,0|2,0,1]=4 2284 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000210206_100000088970 [0,1,0,0,0,0|2,0,1]=4 2285 B12R0.277 CCOC(=O)COCCSC(C)C 7a_200011212901_100000188475 [0,1,0,0,0,0|2,0,1]=4 2286 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100000188475_100011215641 [0,1,0,0,0,0|1,0,2]=4 2287 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100011215641_100000188475 [0,1,0,0,0,0|1,0,2]=4 2288 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100000188475_100011214892 [0,1,0,0,0,0|1,0,1]=3 2289 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100011214892_100000188475 [0,1,0,0,0,0|1,0,1]=3 2290 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_100000188475_200000718107 [0,1,0,0,0,0|1,0,1]=3 2291 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_200000718107_100000188475 [0,1,0,0,0,0|1,0,1]=3 2292 B12R0.277 CCOC(=O)CSCCCN(C)C 62a_100000188475_100000757444 [0,1,0,0,0,0|2,0,1]=4 2293 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000188475_100000211751 [0,1,0,0,0,0|2,0,1]=4 2294 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000211751_100000188475 [0,1,0,0,0,0|2,0,1]=4 2295 B12R0.277 CCOC(=O)CSCCOC(C)C 7a_200000230590_100000210206 [0,1,0,0,0,0|2,0,1]=4 2296 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000188475_100000730970 [0,1,0,0,0,0|2,0,1]=4 2297 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000730970_100000188475 [0,1,0,0,0,0|2,0,1]=4 2298 B12R0.277 CCOC(=O)NCCOCC(C)C 34a_100000158857_100000210624 [0,1,0,0,0,0|2,0,1]=4 2299 B12R0.277 CCOC(=O)NCCOCC(C)O 34a_100000158857_100011218427 [0,1,0,0,0,0|2,0,1]=4 2300 B12R0.277 CCOC(=O)NCCOC[C@@H](C)O 34a_100000158857_100009817552 [0,1,0,0,0,0|2,0,1]=4 2301 B12R0.277 CCOC(=O)NCCSCC(C)C 62a_100000210624_200011445536 [0,1,0,0,0,0|2,0,1]=4 2302 B12R0.277 CCOC(=O)NCCSCC(C)O 62a_100011218427_200011445536 [0,1,0,0,0,0|2,0,1]=4 2303 B12R0.277 CCOC(=O)NCCSC[C@@H](C)O 62a_100009817552_200011445536 [0,1,0,0,0,0|2,0,1]=4 2304 B12R0.277 CCOC(=O)OCSCCC(C)C 62a_100000210312_100000075025 [0,1,0,0,0,0|2,0,1]=4 2305 B12R0.277 CCOC(=O)OCSCCC(C)O 62a_100012276601_100000075025 [0,1,0,0,0,0|2,0,1]=4 2306 B12R0.277 CCOC(=O)[CH-]C=NNCC(C)O 4a_200000730056_100010622808 [0,1,0,0,0,0|2,0,1]=4 2307 B12R0.285 C#CCN(C)C/C=C/C(=O)OCC 2230a_100000225692_100016267167 [0,1,0,0,0,0|1,0,2]=4 2308 B12R0.285 C#CCN(C)C/C=C/C(=O)OCC 34a_100000225692_100016267167 [0,1,0,0,0,0|1,0,2]=4 2309 B12R0.285 C=CCN(C)C/C=C/C(=O)OCC 2230a_100000225617_100016267167 [0,1,0,0,0,0|1,0,2]=4 2310 B12R0.285 C=CCN(C)C/C=C/C(=O)OCC 269982a_100000225617_100016267167 [0,1,0,0,0,0|1,0,2]=4 2311 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [0,1,0,0,0,0|0,0,3]=4 2312 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [0,1,0,0,0,0|0,0,3]=4 2313 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [0,1,0,0,0,0|1,0,2]=4 2314 B12R0.285 CCCC(=O)COCC(C)CCC 7a_100000688023_100000747444 [0,1,0,0,0,0|2,0,1]=4 2315 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [0,1,0,0,0,0|1,0,2]=4 2316 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [0,1,0,0,0,0|1,0,2]=4 2317 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100000747444_100011216630 [0,1,0,0,0,0|2,0,1]=4 2318 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100011216630_100000747444 [0,1,0,0,0,0|2,0,1]=4 2319 B12R0.285 CCCC(=O)NN=CC(=O)OCC 4a_100000189770_100000742314 [0,1,0,0,0,0|2,0,1]=4 2320 B12R0.285 CCCC(C)CNCC(=O)NCC 2230a_100016988866_100011216630 [0,1,0,0,0,0|2,0,1]=4 2321 B12R0.285 CCCC(C)CNCC(=O)NCC 270004a_100016988866_100000243154 [0,1,0,0,0,0|2,0,1]=4 2322 B12R0.285 CCCC(C)COCC(=O)NCC 34a_100000688023_100000183381 [0,1,0,0,0,0|2,0,1]=4 2323 B12R0.285 CCCC(C)COCC(=O)NCC 7a_100000688023_100000183381 [0,1,0,0,0,0|2,0,1]=4 2324 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [0,1,0,0,0,0|1,0,1]=3 2325 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [0,1,0,0,0,0|1,0,1]=3 2326 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100000183381_100011216630 [0,1,0,0,0,0|2,0,1]=4 2327 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100011216630_100000183381 [0,1,0,0,0,0|2,0,1]=4 2328 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100000188475_100011216630 [0,1,0,0,0,0|1,0,1]=3 2329 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100011216630_100000188475 [0,1,0,0,0,0|1,0,1]=3 2330 B12R0.285 CCCC(C)NCCC(=O)OCC 2230a_100000741246_100011206558 [0,1,0,0,0,0|1,0,2]=4 2331 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [0,1,0,0,0,0|1,0,2]=4 2332 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [0,1,0,0,0,0|1,0,2]=4 2333 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000765890_100000766640 [0,1,0,0,0,0|1,0,2]=4 2334 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000766640_100000765890 [0,1,0,0,0,0|1,0,2]=4 2335 B12R0.285 CCCC(C)SCOC(=O)OCC 62a_100000766640_100000075025 [0,1,0,0,0,0|2,0,1]=4 2336 B12R0.285 CCCN(C)C/C=C/C(=O)OCC 2230a_100000747261_100016267167 [0,1,0,0,0,0|1,0,0]=2 2337 B12R0.285 CCCN(C)C/C=C/C(=O)OCC 269982a_100000747261_100016267167 [0,1,0,0,0,0|1,0,0]=2 2338 B12R0.285 CCCN(C)CCCC(=O)OCC 2230a_100000747261_100009991533 [0,1,0,0,0,0|1,0,2]=4 2339 B12R0.285 CCCN(C)CCCC(=O)OCC 269982a_100000747261_100009991533 [0,1,0,0,0,0|1,0,2]=4 2340 B12R0.285 CCCN(C)CCNC(=O)OCC 269982a_100000747261_200011445536 [0,1,0,0,0,0|2,0,1]=4 2341 B12R0.285 CCC[C@H](N)COCC(=O)NCC 34a_100000732646_100000183381 [0,1,0,0,0,0|2,0,1]=4 2342 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [0,1,0,0,0,0|1,0,1]=3 2343 B12R0.285 CCOC(=O)/C=C/CN(C)CC#N 2230a_100000748184_100016267167 [0,1,0,0,0,0|2,0,1]=4 2344 B12R0.285 CCOC(=O)/C=C/CN(C)CCO 2230a_100000210263_100016267167 [0,1,0,0,0,0|2,0,0]=3 2345 B12R0.285 CCOC(=O)/C=C/CN(C)CCO 269982a_100000210263_100016267167 [0,1,0,0,0,0|2,0,0]=3 2346 B12R0.285 CCOC(=O)CNCC(O)COC 2230a_100000756049_100000188475 [0,1,0,0,0,0|2,0,1]=4 2347 B12R0.285 CCOC(=O)CNCC(O)COC 34a_100000756049_100000188475 [0,1,0,0,0,0|2,0,1]=4 2348 B12R0.285 CCOC(=O)COCC(C)CCN 34a_106354213184_100000188475 [0,1,0,0,0,0|2,0,1]=4 2349 B12R0.285 CCOC(=O)COCC(N)COC 34a_100000724102_100000188475 [0,1,0,0,0,0|2,0,1]=4 2350 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100000188475_100011215053 [0,1,0,0,0,0|2,0,1]=4 2351 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100011215053_100000188475 [0,1,0,0,0,0|2,0,1]=4 2352 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,0,0,1,0,0|2,0,1]=4 2353 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,0,0,1,0,0|1,0,1]=3 2354 B12R1.28 CCOCCN1CCOC(=O)C1 2230a_100000131268_100011215890 [0,0,0,1,0,0|2,0,1]=4 2355 B12R1.28 CCSCCN1CCOC(=O)C1 2230a_100000131268_100000757381 [0,0,0,1,0,0|2,0,1]=4 2356 B12R1.28 COCCCN1CCOC(=O)C1 2230a_100000131268_100000740836 [0,0,0,1,0,0|2,0,1]=4 2357 B12R1.28 O=C1CN(CCO1)CCCCF 2230a_100000131268_100000729493 [0,0,0,1,0,0|2,0,1]=4 2358 B12R1.28 O=C1CN(CCO1)CCCCO 2230a_100000131268_100000210776 [0,0,0,1,0,0|2,0,1]=4 2359 B12R1.32 C#CCC(=O)C=C1CCCCC1 1458a_100000743792_100000184674 [0,0,0,1,0,0|1,0,2]=4 2360 B12R1.32 C=CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210623 [0,0,0,1,0,0|1,0,2]=4 2361 B12R1.32 CCCC(=O)C=C1CCCCC1 1458a_100000743792_100000210303 [0,0,0,1,0,0|1,0,0]=2 2362 B12R1.32 CCCC(=O)C=C1CCOCC1 1458a_100000761426_100000210303 [0,0,0,1,0,0|2,0,0]=3 2363 B12R1.32 CCCC(=O)CC1=CCCCC1 1458a_100000039269_100000210303 [0,0,0,1,0,0|1,0,2]=4 2364 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [0,0,0,1,0,0|1,0,2]=4 2365 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [0,0,0,1,0,0|1,0,2]=4 2366 B12R1.32 CCCC(=O)CN1CCCCC1 1458a_100000740322_100000210303 [0,0,0,1,0,0|2,0,1]=4 2367 B12R1.32 CCCC(=O)NC1CCCCC1 11a_100000182618_100000211992 [0,0,0,1,0,0|2,0,1]=4 2368 B12R1.32 CCCC(=O)NC1CCCCC1 1626a_100000182618_100000211992 [0,0,0,1,0,0|2,0,1]=4 2369 B12R1.32 CCCC(=O)NC1CCCCC1 240690a_100000182618_100000211992 [0,0,0,1,0,0|2,0,1]=4 2370 B12R1.32 CCCC(=O)NC1CCCCC1 527a_100000182618_100000211992 [0,0,0,1,0,0|2,0,1]=4 2371 B12R1.32 CCNC(=O)C=C1CCCCC1 11a_100015525214_100000743792 [0,0,0,1,0,0|1,0,0]=2 2372 B12R1.32 CCNC(=O)C=C1CCCCC1 240690a_100015525214_100000743792 [0,0,0,1,0,0|1,0,0]=2 2373 B12R1.32 CCNC(=O)C=C1CCOCC1 11a_100015525214_100000761426 [0,0,0,1,0,0|2,0,0]=3 2374 B12R1.32 CCNC(=O)C=C1CCOCC1 240690a_100015525214_100000761426 [0,0,0,1,0,0|2,0,0]=3 2375 B12R1.32 CCNC(=O)CC1=CCCCC1 11a_100015525214_100000039269 [0,0,0,1,0,0|1,0,2]=4 2376 B12R1.32 CCNC(=O)CC1=CCCCC1 240690a_100015525214_100000039269 [0,0,0,1,0,0|1,0,2]=4 2377 B12R1.32 CCNC(=O)CC1=CCCCC1 527a_100015525214_100000039269 [0,0,0,1,0,0|1,0,2]=4 2378 B12R1.32 CCNC(=O)CC1CCCCC1 11a_100015525214_100000211666 [0,0,0,1,0,0|1,0,2]=4 2379 B12R1.32 CCNC(=O)CC1CCCCC1 240690a_100015525214_100000211666 [0,0,0,1,0,0|1,0,2]=4 2380 B12R1.32 CCNC(=O)CC1CCCCC1 527a_100015525214_100000211666 [0,0,0,1,0,0|1,0,2]=4 2381 B12R1.32 CCNC(=O)CN1CCCCC1 11a_100015525214_100000740322 [0,0,0,1,0,0|2,0,1]=4 2382 B12R1.32 CCNC(=O)CN1CCCCC1 240690a_100015525214_100000740322 [0,0,0,1,0,0|2,0,1]=4 2383 B12R1.32 CCNC(=O)CN1CCCCC1 527a_100015525214_100000740322 [0,0,0,1,0,0|2,0,1]=4 2384 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100000182618_100015525214 [0,0,0,1,0,0|2,0,1]=4 2385 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100015525214_100000182618 [0,0,0,1,0,0|2,0,1]=4 2386 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100000182618_100015525214 [0,0,0,1,0,0|2,0,1]=4 2387 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100015525214_100000182618 [0,0,0,1,0,0|2,0,1]=4 2388 B12R1.32 CCOC(=O)CN1CCCOC1 2230a_100000131196_100000188475 [0,0,0,1,0,0|2,0,1]=4 2389 B12R1.32 CCOC(=O)CN1CCCOC1 269982a_100000131196_100000188475 [0,0,0,1,0,0|2,0,1]=4 2390 B12R1.32 CCOC(=O)CN1CCCOC1 34a_100000131196_100000188475 [0,0,0,1,0,0|2,0,1]=4 2391 B12R1.32 CCOC(=O)CN1CCOCC1 2230a_100015191051_100000188475 [0,0,0,1,0,0|2,0,1]=4 2392 B12R1.32 CCOC(=O)CN1CCOCC1 269982a_100015191051_100000188475 [0,0,0,1,0,0|2,0,1]=4 2393 B12R1.32 CCOC(=O)CN1CCOCC1 34a_100015191051_100000188475 [0,0,0,1,0,0|2,0,1]=4 2394 B12R1.32 CCOC(=O)CN1CCSCC1 2230a_100000737611_100000188475 [0,0,0,1,0,0|2,0,1]=4 2395 B12R1.32 CCOC(=O)CN1CCSCC1 269982a_100000737611_100000188475 [0,0,0,1,0,0|2,0,1]=4 2396 B12R1.32 CNNC(=O)C=C1CCCCC1 22a_100016993582_100000743792 [0,0,0,1,0,0|2,0,0]=3 2397 B12R1.32 CNNC(=O)C=C1CCOCC1 22a_100016993582_100000761426 [0,0,0,1,0,0|3,0,0]=4 2398 B12R1.32 N#CCC(=O)C=C1CCCCC1 1458a_100000743792_100011214920 [0,0,0,1,0,0|2,0,1]=4 2399 B12R1.32 O=C(C=C1CCCCC1)CCF 1458a_100000743792_100011217306 [0,0,0,1,0,0|2,0,0]=3 2400 B12R1.32 O=C(C=C1CCCCC1)CCO 1458a_100000743792_100000211926 [0,0,0,1,0,0|2,0,0]=3 2401 B12R1.32 O=C(C=C1CCOCC1)CCF 1458a_100000761426_100011217306 [0,0,0,1,0,0|3,0,0]=4 2402 B12R1.32 O=C(C=C1CCOCC1)CCO 1458a_100000761426_100000211926 [0,0,0,1,0,0|3,0,0]=4 2403 B12R1.37 CCCCCC=Cc1ccco1 271570a_100000062253_100009814098 [0,0,0,1,0,0|1,0,2]=4 2404 B12R1.37 CCCCCC=Cc1cnco1 271570a_100000062253_100020591547 [0,0,0,1,0,0|2,0,1]=4 2405 B12R1.37 CCCCCC=Cc1ncco1 271570a_100000062253_100011787736 [0,0,0,1,0,0|1,0,2]=4 2406 B12R1.51 CCCC(=O)C=CC1=CCCC1 1458a_100016262312_100000210303 [0,0,0,1,0,0|1,0,2]=4 2407 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,0,0,1,0,0|1,0,2]=4 2408 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,0,0,1,0,0|1,0,2]=4 2409 B12R1.51 CCCC(=O)CNC1CCCC1 2230a_100000211070_100000747444 [0,0,0,1,0,0|2,0,1]=4 2410 B12R1.51 CCCC(=O)COC1CCCC1 1458a_100000741352_100000210303 [0,0,0,1,0,0|2,0,1]=4 2411 B12R1.51 CCCC(=O)COC1CCCC1 7a_100000210269_100000747444 [0,0,0,1,0,0|2,0,1]=4 2412 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100000747444_100000179811 [0,0,0,1,0,0|2,0,1]=4 2413 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100011217020_100000747444 [0,0,0,1,0,0|2,0,1]=4 2414 B12R1.51 CCCC(=O)NCC1CCCC1 11a_100000737975_100000211992 [0,0,0,1,0,0|2,0,1]=4 2415 B12R1.51 CCCC(=O)NCC1CCCC1 1626a_100000737975_100000211992 [0,0,0,1,0,0|2,0,1]=4 2416 B12R1.51 CCCC(=O)NCC1CCCC1 240690a_100000737975_100000211992 [0,0,0,1,0,0|2,0,1]=4 2417 B12R1.51 CCCC(=O)NCC1CCCC1 527a_100000737975_100000211992 [0,0,0,1,0,0|2,0,1]=4 2418 B12R1.51 CCCC(=O)NNC1CCCC1 22a_100000737850_100000211992 [0,0,0,1,0,0|3,0,0]=4 2419 B12R1.51 CCNC(=O)C=CC1=CCCC1 11a_100015525214_100016262312 [0,0,0,1,0,0|1,0,2]=4 2420 B12R1.51 CCNC(=O)C=CC1=CCCC1 240690a_100015525214_100016262312 [0,0,0,1,0,0|1,0,2]=4 2421 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [0,0,0,1,0,0|1,0,2]=4 2422 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [0,0,0,1,0,0|1,0,2]=4 2423 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [0,0,0,1,0,0|1,0,2]=4 2424 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100000211070_100000183381 [0,0,0,1,0,0|2,0,1]=4 2425 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100016988866_100000179811 [0,0,0,1,0,0|2,0,1]=4 2426 B12R1.51 CCNC(=O)CNC1CCCC1 270004a_100016988866_100000210133 [0,0,0,1,0,0|2,0,1]=4 2427 B12R1.51 CCNC(=O)CNC1CCCC1 34a_100000211070_100000183381 [0,0,0,1,0,0|2,0,1]=4 2428 B12R1.51 CCNC(=O)COC1CCCC1 11a_100015525214_100000741352 [0,0,0,1,0,0|2,0,1]=4 2429 B12R1.51 CCNC(=O)COC1CCCC1 240690a_100015525214_100000741352 [0,0,0,1,0,0|2,0,1]=4 2430 B12R1.51 CCNC(=O)COC1CCCC1 34a_100000210269_100000183381 [0,0,0,1,0,0|2,0,1]=4 2431 B12R1.51 CCNC(=O)COC1CCCC1 527a_100015525214_100000741352 [0,0,0,1,0,0|2,0,1]=4 2432 B12R1.51 CCNC(=O)COC1CCCC1 7a_100000210269_100000183381 [0,0,0,1,0,0|2,0,1]=4 2433 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100000183381_100000179811 [0,0,0,1,0,0|2,0,1]=4 2434 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100011217020_100000183381 [0,0,0,1,0,0|2,0,1]=4 2435 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100000737975_100015525214 [0,0,0,1,0,0|2,0,1]=4 2436 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100015525214_100000737975 [0,0,0,1,0,0|2,0,1]=4 2437 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100000737975_100015525214 [0,0,0,1,0,0|2,0,1]=4 2438 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100015525214_100000737975 [0,0,0,1,0,0|2,0,1]=4 2439 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100000737975_100015525214 [0,0,0,1,0,0|2,0,1]=4 2440 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100015525214_100000737975 [0,0,0,1,0,0|2,0,1]=4 2441 B12R1.51 CCNC(=O)NNC1CCCC1 273464a_100015525214_100000737850 [0,0,0,1,0,0|3,0,0]=4 2442 B12R1.51 CCNC(=O)NNC1CCCC1 512a_100015525214_100000737850 [0,0,0,1,0,0|3,0,0]=4 2443 B12R1.51 CCOC(=O)CCN1CCCC1 2230a_100000188435_100011206558 [0,0,0,1,0,0|1,0,2]=4 2444 B12R1.51 CCOC(=O)CCN1CCCC1 269982a_100000188435_100011206558 [0,0,0,1,0,0|1,0,2]=4 2445 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [0,0,0,1,0,0|1,0,1]=3 2446 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [0,0,0,1,0,0|1,0,1]=3 2447 B12R1.51 CCOC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000188475 [0,0,0,1,0,0|2,0,1]=4 2448 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000188475 [0,0,0,1,0,0|2,0,1]=4 2449 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 34a_100015188467_100000188475 [0,0,0,1,0,0|2,0,1]=4 2450 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [0,0,0,1,0,0|1,0,1]=3 2451 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [0,0,0,1,0,0|1,0,1]=3 2452 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [0,0,0,1,0,0|2,0,1]=4 2453 B12R1.51 CCOC(=O)COC1CCSC1 7a_100011232664_100000188475 [0,0,0,1,0,0|2,0,1]=4 2454 B12R1.51 CCOC(=O)CO[C@H]1CCOC1 34a_100000717292_100000188475 [0,0,0,1,0,0|2,0,1]=4 2455 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [0,0,0,1,0,0|1,0,1]=3 2456 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [0,0,0,1,0,0|1,0,1]=3 2457 B12R1.51 CCOC(=O)CSC1CCOC1 62a_100000188475_100000690089 [0,0,0,1,0,0|2,0,1]=4 2458 B12R1.278 CCCc1cccc(c1)OCC 34a_100000039106_100000210202 [0,0,0,1,0,0|1,0,2]=4 2459 B12R1.278 CCCc1cccc(c1)OCC 7a_100000039106_100000210202 [0,0,0,1,0,0|1,0,2]=4 2460 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,0,0,1,0,0|1,0,2]=4 2461 B12R1.308 CCCC(=O)N1CCCCC1C 11a_100000211376_100000211992 [0,0,0,1,0,0|2,0,1]=4 2462 B12R1.308 CCCC(=O)N1CCCCC1C 1626a_100000211376_100000211992 [0,0,0,1,0,0|2,0,1]=4 2463 B12R1.308 CCCC(=O)N1CCCCC1C 240690a_100000211376_100000211992 [0,0,0,1,0,0|2,0,1]=4 2464 B12R1.308 CCCC(=O)N1CCCCC1C 527a_100000211376_100000211992 [0,0,0,1,0,0|2,0,1]=4 2465 B12R1.308 CCNC(=O)C1CCCCC1C 11a_100015525214_100011215568 [0,0,0,1,0,0|1,0,2]=4 2466 B12R1.308 CCNC(=O)C1CCCCC1C 240690a_100015525214_100011215568 [0,0,0,1,0,0|1,0,2]=4 2467 B12R1.308 CCNC(=O)C1CCCCC1C 527a_100015525214_100011215568 [0,0,0,1,0,0|1,0,2]=4 2468 B12R1.308 CCNC(=O)N1CCCCC1C 2708a_100015525214_100000211376 [0,0,0,1,0,0|2,0,1]=4 2469 B12R1.308 CCNC(=O)N1CCCCC1C 273464a_100015525214_100000211376 [0,0,0,1,0,0|2,0,1]=4 2470 B12R1.308 CCOC(=O)C1CCCCN1C 2230a_100016990872_200000210301 [0,0,0,1,0,0|1,0,2]=4 2471 B12R1.308 CCOC(=O)C1CCCCN1C 269982a_100016990872_200000210301 [0,0,0,1,0,0|1,0,2]=4 2472 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 2230a_100016990872_200025704644 [0,0,0,1,0,0|1,0,2]=4 2473 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 269982a_100016990872_200025704644 [0,0,0,1,0,0|1,0,2]=4 2474 B12R1.310 CCCC(=O)COCCC1CC1 7a_100000754188_100000747444 [0,0,0,1,0,0|2,0,1]=4 2475 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000747444_100000764125 [0,0,0,1,0,0|2,0,1]=4 2476 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000764125_100000747444 [0,0,0,1,0,0|2,0,1]=4 2477 B12R1.310 CCNC(=O)CNCCC1CC1 2230a_100016988866_100000694398 [0,0,0,1,0,0|2,0,1]=4 2478 B12R1.310 CCNC(=O)CNCCC1CC1 34a_100000764129_100000183381 [0,0,0,1,0,0|2,0,1]=4 2479 B12R1.310 CCNC(=O)COCCC1CC1 34a_100000754188_100000183381 [0,0,0,1,0,0|2,0,1]=4 2480 B12R1.310 CCNC(=O)COCCC1CC1 7a_100000754188_100000183381 [0,0,0,1,0,0|2,0,1]=4 2481 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000183381_100000764125 [0,0,0,1,0,0|2,0,1]=4 2482 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000764125_100000183381 [0,0,0,1,0,0|2,0,1]=4 2483 B12R1.310 CCOC(=O)/C=C/CNC1CC1 34a_100000212008_100016267167 [0,0,0,1,0,0|1,0,0]=2 2484 B12R1.310 CCOC(=O)/C=C/CSC1CC1 62a_100016267167_100000211595 [0,0,0,1,0,0|1,0,0]=2 2485 B12R1.310 CCOC(=O)C=NNCC1CC1 4a_100000736359_100000742314 [0,0,0,1,0,0|2,0,0]=3 2486 B12R1.310 CCOC(=O)CCCNC1CC1 34a_100000212008_100009991533 [0,0,0,1,0,0|1,0,2]=4 2487 B12R1.310 CCOC(=O)CCCSC1CC1 62a_100009991533_100000211595 [0,0,0,1,0,0|1,0,2]=4 2488 B12R1.310 CCOC(=O)CCNCC1CC1 2230a_100000735609_100011206558 [0,0,0,1,0,0|1,0,2]=4 2489 B12R1.310 CCOC(=O)CCNCC1CC1 34a_100000735609_100000765890 [0,0,0,1,0,0|1,0,2]=4 2490 B12R1.310 CCOC(=O)CCOCC1CC1 34a_100000211283_100000765890 [0,0,0,1,0,0|1,0,2]=4 2491 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000756562_100000765890 [0,0,0,1,0,0|1,0,2]=4 2492 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000765890_100000742324 [0,0,0,1,0,0|1,0,2]=4 2493 B12R1.310 CCOC(=O)CNCCC1CC1 34a_100000764129_100000188475 [0,0,0,1,0,0|1,0,1]=3 2494 B12R1.310 CCOC(=O)COCCC1CC1 34a_100000754188_100000188475 [0,0,0,1,0,0|1,0,1]=3 2495 B12R1.310 CCOC(=O)COCCC1CC1 7a_100000754188_100000188475 [0,0,0,1,0,0|1,0,1]=3 2496 B12R1.310 CCOC(=O)COCC[C@@H]1CO1 34a_100009820653_100000188475 [0,0,0,1,0,0|2,0,1]=4 2497 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000188475_100000764125 [0,0,0,1,0,0|1,0,1]=3 2498 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000764125_100000188475 [0,0,0,1,0,0|1,0,1]=3 2499 B12R1.310 CCOC(=O)CSCCC1CO1 62a_100000188475_100000732470 [0,0,0,1,0,0|2,0,1]=4 2500 B12R1.310 CCOC(=O)CSCCC1CO1 62a_100000732470_100000188475 [0,0,0,1,0,0|2,0,1]=4 2501 B12R1.310 CCOC(=O)NCCOC1CC1 34a_100000158857_100000211595 [0,0,0,1,0,0|2,0,1]=4 2502 B12R1.310 CCOC(=O)OCSCC1CC1 62a_100000756562_100000075025 [0,0,0,1,0,0|2,0,1]=4 2503 B12R1.310 CCOC(=O)[CH-]C=NNC1CC1 4a_100000701032_100010622808 [0,0,0,1,0,0|2,0,1]=4 2504 B12R1.311 CCOC(=O)CCN1CCC1C 269982a_100000755817_100011206558 [0,0,0,1,0,0|1,0,2]=4 2505 B12R1.311 CCOC(=O)CCN1CCC1C 34a_100000755817_100000765890 [0,0,0,1,0,0|1,0,2]=4 2506 B12R1.315 CCCC(=O)CNCC1CCC1 2230a_100000738700_100000747444 [0,0,0,1,0,0|2,0,1]=4 2507 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000747444_100000763275 [0,0,0,1,0,0|2,0,1]=4 2508 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000763275_100000747444 [0,0,0,1,0,0|2,0,1]=4 2509 B12R1.315 CCCC(=O)NNCC1CCC1 22a_200020586977_100000211992 [0,0,0,1,0,0|3,0,0]=4 2510 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100000738700_100000183381 [0,0,0,1,0,0|2,0,1]=4 2511 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100016988866_100000763275 [0,0,0,1,0,0|2,0,1]=4 2512 B12R1.315 CCNC(=O)CNCC1CCC1 34a_100000738700_100000183381 [0,0,0,1,0,0|2,0,1]=4 2513 B12R1.315 CCNC(=O)COCC1CCC1 34a_100000760304_100000183381 [0,0,0,1,0,0|2,0,1]=4 2514 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000183381_100000763275 [0,0,0,1,0,0|2,0,1]=4 2515 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000763275_100000183381 [0,0,0,1,0,0|2,0,1]=4 2516 B12R1.315 CCNC(=O)NNCC1CCC1 273464a_100015525214_200020586977 [0,0,0,1,0,0|3,0,0]=4 2517 B12R1.315 CCNC(=O)NNCC1CCC1 512a_100015525214_200020586977 [0,0,0,1,0,0|3,0,0]=4 2518 B12R1.315 CCNC(=O)NNCC1CCC1 512a_200020586977_100015525214 [0,0,0,1,0,0|3,0,0]=4 2519 B12R1.315 CCOC(=O)/C=C/CN1CCC1 269982a_100000754969_100016267167 [0,0,0,1,0,0|1,0,0]=2 2520 B12R1.315 CCOC(=O)C=NNC1CCC1 4a_100000736358_100000742314 [0,0,0,1,0,0|2,0,0]=3 2521 B12R1.315 CCOC(=O)C=NNC1COC1 4a_100015188821_100000742314 [0,0,0,1,0,0|3,0,0]=4 2522 B12R1.315 CCOC(=O)CCCN1CCC1 269982a_100000754969_100009991533 [0,0,0,1,0,0|1,0,2]=4 2523 B12R1.315 CCOC(=O)CCNC1CCC1 2230a_100000749019_100011206558 [0,0,0,1,0,0|1,0,2]=4 2524 B12R1.315 CCOC(=O)CCNC1CCC1 34a_100000749019_100000765890 [0,0,0,1,0,0|1,0,2]=4 2525 B12R1.315 CCOC(=O)CCOC1CCC1 34a_100000748187_100000765890 [0,0,0,1,0,0|1,0,2]=4 2526 B12R1.315 CCOC(=O)CCSC1CCC1 62a_100000765890_100000749161 [0,0,0,1,0,0|1,0,2]=4 2527 B12R1.315 CCOC(=O)CNCC1CCC1 2230a_100000738700_100000188475 [0,0,0,1,0,0|1,0,1]=3 2528 B12R1.315 CCOC(=O)CNCC1CCC1 34a_100000738700_100000188475 [0,0,0,1,0,0|1,0,1]=3 2529 B12R1.315 CCOC(=O)CNCC1COC1 2230a_100015281925_100000188475 [0,0,0,1,0,0|2,0,1]=4 2530 B12R1.315 CCOC(=O)CNCC1COC1 34a_100015281925_100000188475 [0,0,0,1,0,0|2,0,1]=4 2531 B12R1.315 CCOC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000188475 [0,0,0,1,0,0|2,0,1]=4 2532 B12R1.315 CCOC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000188475 [0,0,0,1,0,0|2,0,1]=4 2533 B12R1.315 CCOC(=O)COCC1CCC1 34a_100000760304_100000188475 [0,0,0,1,0,0|1,0,1]=3 2534 B12R1.315 CCOC(=O)COCC1CCO1 34a_100000039022_100000188475 [0,0,0,1,0,0|2,0,1]=4 2535 B12R1.315 CCOC(=O)COCC1CNC1 34a_100016987283_100000188475 [0,0,0,1,0,0|2,0,1]=4 2536 B12R1.315 CCOC(=O)COCC1COC1 34a_100000060846_100000188475 [0,0,0,1,0,0|2,0,1]=4 2537 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000188475_100000763275 [0,0,0,1,0,0|1,0,1]=3 2538 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000763275_100000188475 [0,0,0,1,0,0|1,0,1]=3 2539 B12R1.315 CCOC(=O)CSCC1CCO1 62a_100000103362_100000188475 [0,0,0,1,0,0|2,0,1]=4 2540 B12R1.315 CCOC(=O)CSCC1CCO1 62a_100000188475_100000103362 [0,0,0,1,0,0|2,0,1]=4 2541 B12R1.315 CCOC(=O)CSCC1COC1 62a_100000188475_100010264016 [0,0,0,1,0,0|2,0,1]=4 2542 B12R1.315 CCOC(=O)CSCC1COC1 62a_100010264016_100000188475 [0,0,0,1,0,0|2,0,1]=4 2543 B12R1.315 CCOC(=O)NCCN1CCC1 269982a_100000754969_200011445536 [0,0,0,1,0,0|2,0,1]=4 2544 B12R1.316 CCCC(=O)N1CCCC1CC 11a_100000754278_100000211992 [0,0,0,1,0,0|2,0,1]=4 2545 B12R1.316 CCCC(=O)N1CCCC1CC 1626a_100000754278_100000211992 [0,0,0,1,0,0|2,0,1]=4 2546 B12R1.316 CCCC(=O)N1CCCC1CC 240690a_100000754278_100000211992 [0,0,0,1,0,0|2,0,1]=4 2547 B12R1.316 CCCC(=O)N1CCCC1CC 527a_100000754278_100000211992 [0,0,0,1,0,0|2,0,1]=4 2548 B12R1.316 CCNC(=O)N1CCCC1CC 2708a_100015525214_100000754278 [0,0,0,1,0,0|2,0,1]=4 2549 B12R1.316 CCNC(=O)N1CCCC1CC 273464a_100015525214_100000754278 [0,0,0,1,0,0|2,0,1]=4 2550 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 2230a_100000703725_100000210202 [0,0,0,1,0,0|1,0,2]=4 2551 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 269982a_100000703725_100000204670 [0,0,0,1,0,0|1,0,2]=4 2552 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1OC 7a_200015395474_200000210301 [0,0,0,1,0,0|1,0,2]=4 2553 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1O[13CH3] 7a_200015395474_200025704644 [0,0,0,1,0,0|1,0,2]=4 2554 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747444 [0,0,0,1,0,0|2,0,1]=4 2555 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747444 [0,0,0,1,0,0|2,0,1]=4 2556 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747444 [0,0,0,1,0,0|2,0,1]=4 2557 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747444 [0,0,0,1,0,0|2,0,1]=4 2558 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183381 [0,0,0,1,0,0|2,0,1]=4 2559 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183381 [0,0,0,1,0,0|2,0,1]=4 2560 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183381 [0,0,0,1,0,0|2,0,1]=4 2561 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183381 [0,0,0,1,0,0|2,0,1]=4 2562 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183381 [0,0,0,1,0,0|2,0,1]=4 2563 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000188475 [0,0,0,1,0,0|1,0,1]=3 2564 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000188475 [0,0,0,1,0,0|1,0,1]=3 2565 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000188475 [0,0,0,1,0,0|1,0,1]=3 2566 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000188475 [0,0,0,1,0,0|1,0,1]=3 2567 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000188475 [0,0,0,1,0,0|1,0,1]=3 2568 B12R1.318 CCOC(=O)CN1CCSC1C 2230a_200011216479_100000188475 [0,0,0,1,0,0|2,0,1]=4 2569 B12R1.318 CCOC(=O)CN1CCSC1C 269982a_200011216479_100000188475 [0,0,0,1,0,0|2,0,1]=4 2570 B12R1.318 CCOC(=O)CN1CCSC1C 34a_200011216479_100000188475 [0,0,0,1,0,0|2,0,1]=4 2571 B12R1.340 CCCCc1ccc(s1)CCC 271570a_100020621405_100010157708 [0,0,0,1,0,0|1,1,1]=4 2572 B12R1.340 CCCCc1csc(n1)OCC 271570a_100020621405_100011934640 [0,0,0,1,0,0|2,0,1]=4 2573 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,0,0,1,0,0|2,0,1]=4 2574 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [0,0,0,1,0,0|2,0,1]=4 2575 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [0,0,0,1,0,0|2,0,1]=4 2576 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [0,0,0,1,0,0|1,0,1]=3 2577 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,0,0,1,0,0|2,0,1]=4 2578 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,0,0,1,0,0|2,0,1]=4 2579 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,0,0,1,0,0|2,0,1]=4 2580 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [0,0,0,1,0,0|1,0,1]=3 2581 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [0,0,0,1,0,0|1,0,1]=3 2582 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [0,0,0,1,0,0|2,0,1]=4 2583 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,0,0,1,0,0|2,0,1]=4 2584 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,0,0,1,0,0|2,0,1]=4 2585 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [0,0,0,1,0,0|1,0,1]=3 2586 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [0,0,0,1,0,0|1,0,1]=3 2587 B12R1.372 CCOCCNC1CCOC1=O 2230a_102516460346_100000211211 [0,0,0,1,0,0|2,0,1]=4 2588 B12R1.372 CCOCCNC1CCOC1=O 34a_102516460346_100000211211 [0,0,0,1,0,0|2,0,1]=4 2589 B12R1.372 CCOCCOC1CCOC1=O 34a_100000210136_100000211211 [0,0,0,1,0,0|2,0,1]=4 2590 B12R1.372 CCOCCOC1CCOC1=O 7a_100000210136_100000211211 [0,0,0,1,0,0|2,0,1]=4 2591 B12R1.372 CCOCCSC1CCOC1=O 62a_100000210147_100000211211 [0,0,0,1,0,0|2,0,1]=4 2592 B12R1.372 CCOCCSC1CCOC1=O 62a_100000211211_100011215890 [0,0,0,1,0,0|2,0,1]=4 2593 B12R1.372 CCSCCNC1CCOC1=O 2230a_100000106463_100000211211 [0,0,0,1,0,0|2,0,1]=4 2594 B12R1.372 CCSCCOC1CCOC1=O 34a_100000212035_100000211211 [0,0,0,1,0,0|2,0,1]=4 2595 B12R1.372 CCSCCOC1CCOC1=O 7a_100000212035_100000211211 [0,0,0,1,0,0|2,0,1]=4 2596 B12R1.372 CCSCCSC1CCOC1=O 62a_100000211211_100000757381 [0,0,0,1,0,0|2,0,1]=4 2597 B12R1.372 CCSCCSC1CCOC1=O 62a_100000757381_100000211211 [0,0,0,1,0,0|2,0,1]=4 2598 B12R1.372 CNCCCOC1CCOC1=O 34a_100000213112_100000211211 [0,0,0,1,0,0|2,0,1]=4 2599 B12R1.372 COCCCNC1CCOC1=O 34a_100150723488_100000211211 [0,0,0,1,0,0|2,0,1]=4 2600 B12R1.372 COCCCOC1CCOC1=O 34a_100000740835_100000211211 [0,0,0,1,0,0|2,0,1]=4 2601 B12R1.372 COCCCSC1CCOC1=O 62a_100000211211_100000709357 [0,0,0,1,0,0|2,0,1]=4 2602 B12R1.372 COCCCSC1CCOC1=O 62a_100000709357_100000211211 [0,0,0,1,0,0|2,0,1]=4 2603 B12R1.372 CSCCCNC1CCOC1=O 2230a_100000749238_100000211211 [0,0,0,1,0,0|2,0,1]=4 2604 B12R1.372 CSCCCOC1CCOC1=O 34a_100000690336_100000211211 [0,0,0,1,0,0|2,0,1]=4 2605 B12R1.372 CSCCCOC1CCOC1=O 7a_100000690336_100000211211 [0,0,0,1,0,0|2,0,1]=4 2606 B12R1.372 NCCCCOC1CCOC1=O 34a_100000750430_100000211211 [0,0,0,1,0,0|2,0,1]=4 2607 B12R1.372 O=C1OCCC1NCCCCO 2230a_100000750430_100000211211 [0,0,0,1,0,0|2,0,1]=4 2608 B12R1.372 O=C1OCCC1NCCCCO 34a_100000750430_100000211211 [0,0,0,1,0,0|2,0,1]=4 2609 B12R1.372 O=C1OCCC1OCCCCBr 34a_100011216708_100000211211 [0,0,0,1,0,0|2,0,1]=4 2610 B12R1.372 O=C1OCCC1OCCCCCl 34a_100000210776_100000211211 [0,0,0,1,0,0|2,0,1]=4 2611 B12R1.372 O=C1OCCC1OCCCCCl 7a_100000210776_100000211211 [0,0,0,1,0,0|2,0,1]=4 2612 B12R1.372 O=C1OCCC1OCCCCF 34a_100011995726_100000211211 [0,0,0,1,0,0|2,0,1]=4 2613 B12R1.372 O=C1OCCC1OCCCCF 7a_100011995726_100000211211 [0,0,0,1,0,0|2,0,1]=4 2614 B12R1.372 O=C1OCCC1OCCCCI 34a_200012148704_100000211211 [0,0,0,1,0,0|2,0,1]=4 2615 B12R1.372 O=C1OCCC1SCCCCF 62a_100000211211_100000729493 [0,0,0,1,0,0|2,0,1]=4 2616 B12R1.372 O=C1OCCC1SCCCCF 62a_100000729493_100000211211 [0,0,0,1,0,0|2,0,1]=4 2617 B12R1.372 O=C1OCCC1SCCCCO 62a_100000210776_100000211211 [0,0,0,1,0,0|2,0,1]=4 2618 B12R1.372 O=C1OCCC1SCCCCO 62a_100000211211_100000210776 [0,0,0,1,0,0|2,0,1]=4 2619 B12R1.456 CCCNN=C1C=C(OC1C)C 4a_100000740057_100000040871 [0,0,0,1,0,0|3,0,0]=4 2620 B12R1.456 CCCOCc1cc(oc1C)C 34a_100000688432_100000210303 [0,0,0,1,0,0|2,0,1]=4 2621 B12R1.456 CCCOCc1cc(oc1C)C 7a_100000688432_100000210303 [0,0,0,1,0,0|2,0,1]=4 2622 B12R1.456 CCCSCc1oc(=O)oc1C 62a_100000210303_100000068490 [0,0,0,1,0,0|2,0,1]=4 2623 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [0,0,0,1,0,0|1,0,2]=4 2624 B12R1.923 CCCCCCNC(=O)C1CC1 11a_100000210581_100000210395 [0,0,0,1,0,0|2,0,1]=4 2625 B12R1.923 CCCCCCNC(=O)C1CC1 1626a_100000210581_100000210395 [0,0,0,1,0,0|2,0,1]=4 2626 B12R1.923 CCCCCCNC(=O)C1CC1 240690a_100000210581_100000210395 [0,0,0,1,0,0|2,0,1]=4 2627 B12R1.923 CCCCCCNC(=O)C1CC1 527a_100000210581_100000210395 [0,0,0,1,0,0|2,0,1]=4 2628 B12R1.923 CCCCCNCC(=O)C1CC1 2230a_100000209983_100000746382 [0,0,0,1,0,0|2,0,1]=4 2629 B12R1.923 CCCCCNNC(=O)C1CC1 22a_100000694160_100000210395 [0,0,0,1,0,0|3,0,0]=4 2630 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000210253_100000746382 [0,0,0,1,0,0|2,0,1]=4 2631 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000686663_100000718602 [0,0,0,1,0,0|2,0,1]=4 2632 B12R1.923 CCCCCOCC(=O)C1CC1 7a_100000210253_100000746382 [0,0,0,1,0,0|2,0,1]=4 2633 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000210326_100000746382 [0,0,0,1,0,0|2,0,1]=4 2634 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000746382_100000210326 [0,0,0,1,0,0|2,0,1]=4 2635 B12R1.1505 CCCC(=O)COCC1CC1C 7a_100000744939_100000747444 [0,0,0,1,0,0|2,0,1]=4 2636 B12R1.1505 CCNC(=O)COCC1CC1C 34a_100000744939_100000183381 [0,0,0,1,0,0|2,0,1]=4 2637 B12R1.1505 CCNC(=O)COCC1CC1C 7a_100000744939_100000183381 [0,0,0,1,0,0|2,0,1]=4 2638 B12R1.1505 CCOC(=O)COCC1CC1C 34a_100000744939_100000188475 [0,0,0,1,0,0|1,0,1]=3 2639 B12R1.1505 CCOC(=O)COCC1CC1C 7a_100000744939_100000188475 [0,0,0,1,0,0|1,0,1]=3 2640 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [0,0,0,1,0,0|1,0,2]=4 2641 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [0,0,0,1,0,0|1,0,2]=4 2642 B12R1.1564 CCCC(=O)N1CCCCCC1 11a_100000185865_100000211992 [0,0,0,1,0,0|2,0,1]=4 2643 B12R1.1564 CCCC(=O)N1CCCCCC1 1626a_100000185865_100000211992 [0,0,0,1,0,0|2,0,1]=4 2644 B12R1.1564 CCCC(=O)N1CCCCCC1 240690a_100000185865_100000211992 [0,0,0,1,0,0|2,0,1]=4 2645 B12R1.1564 CCCC(=O)N1CCCCCC1 527a_100000185865_100000211992 [0,0,0,1,0,0|2,0,1]=4 2646 B12R1.1564 CCNC(=O)C1CCCCCC1 11a_100015525214_100000749507 [0,0,0,1,0,0|1,0,2]=4 2647 B12R1.1564 CCNC(=O)C1CCCCCC1 240690a_100015525214_100000749507 [0,0,0,1,0,0|1,0,2]=4 2648 B12R1.1564 CCNC(=O)C1CCCCCC1 527a_100015525214_100000749507 [0,0,0,1,0,0|1,0,2]=4 2649 B12R1.1564 CCNC(=O)N1CCCCCC1 2708a_100015525214_100000185865 [0,0,0,1,0,0|2,0,1]=4 2650 B12R1.1564 CCNC(=O)N1CCCCCC1 273464a_100015525214_100000185865 [0,0,0,1,0,0|2,0,1]=4 2651 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [2,0,0,0,0,0|1,0,1]=4 2652 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [2,0,0,0,0,0|1,0,1]=4 2653 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [2,0,0,0,0,0|2,0,0]=4 2654 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [2,0,0,0,0,0|2,0,0]=4 2655 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [2,0,0,0,0,0|2,0,0]=4 2656 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [2,0,0,0,0,0|2,0,0]=4 2657 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [2,0,0,0,0,0|2,0,0]=4 2658 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [2,0,0,0,0,0|2,0,0]=4 2659 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [2,0,0,0,0,0|2,0,0]=4 2660 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [2,0,0,0,0,0|2,0,0]=4 2661 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [2,0,0,0,0,0|2,0,0]=4 2662 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [2,0,0,0,0,0|2,0,0]=4 2663 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [2,0,0,0,0,0|2,0,0]=4 2664 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [2,0,0,0,0,0|2,0,0]=4 2665 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [2,0,0,0,0,0|1,0,0]=3 2666 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [2,0,0,0,0,0|2,0,0]=4 2667 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [2,0,0,0,0,0|2,0,0]=4 2668 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [2,0,0,0,0,0|1,0,0]=3 2669 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [2,0,0,0,0,0|1,0,0]=3 2670 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [2,0,0,0,0,0|2,0,0]=4 2671 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [2,0,0,0,0,0|1,0,0]=3 2672 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [2,0,0,0,0,0|1,0,0]=3 2673 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [2,0,0,0,0,0|2,0,0]=4 2674 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [2,0,0,0,0,0|2,0,0]=4 2675 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [2,0,0,0,0,0|2,0,0]=4 2676 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [2,0,0,0,0,0|2,0,0]=4 2677 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [2,0,0,0,0,0|2,0,0]=4 2678 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [2,0,0,0,0,0|2,0,0]=4 2679 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [2,0,0,0,0,0|2,0,0]=4 2680 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [2,0,0,0,0,0|2,0,0]=4 2681 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [2,0,0,0,0,0|2,0,0]=4 2682 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [2,0,0,0,0,0|2,0,0]=4 2683 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [2,0,0,0,0,0|2,0,0]=4 2684 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [2,0,0,0,0,0|2,0,0]=4 2685 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [2,0,0,0,0,0|2,0,0]=4 2686 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [2,0,0,0,0,0|1,0,0]=3 2687 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [2,0,0,0,0,0|1,0,0]=3 2688 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [2,0,0,0,0,0|1,0,0]=3 2689 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [2,0,0,0,0,0|2,0,0]=4 2690 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [2,0,0,0,0,0|1,0,1]=4 2691 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [2,0,0,0,0,0|1,0,1]=4 2692 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [2,0,0,0,0,0|1,0,1]=4 2693 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [2,0,0,0,0,0|2,0,0]=4 2694 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [2,0,0,0,0,0|2,0,0]=4 2695 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [2,0,0,0,0,0|2,0,0]=4 2696 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [2,0,0,0,0,0|2,0,0]=4 2697 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 2698 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 2699 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 2700 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 2701 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 2702 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 2703 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [2,0,0,0,0,0|2,0,0]=4 2704 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [2,0,0,0,0,0|2,0,0]=4 2705 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [2,0,0,0,0,0|2,0,0]=4 2706 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [2,0,0,0,0,0|2,0,0]=4 2707 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [2,0,0,0,0,0|2,0,0]=4 2708 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [2,0,0,0,0,0|2,0,0]=4 2709 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [2,0,0,0,0,0|1,0,0]=3 2710 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [2,0,0,0,0,0|2,0,0]=4 2711 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [2,0,0,0,0,0|2,0,0]=4 2712 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [2,0,0,0,0,0|2,0,0]=4 2713 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [2,0,0,0,0,0|2,0,0]=4 2714 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [2,0,0,0,0,0|2,0,0]=4 2715 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [2,0,0,0,0,0|2,0,0]=4 2716 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [2,0,0,0,0,0|2,0,0]=4 2717 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [2,0,0,0,0,0|2,0,0]=4 2718 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [2,0,0,0,0,0|1,0,0]=3 2719 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [2,0,0,0,0,0|1,0,0]=3 2720 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [2,0,0,0,0,0|2,0,0]=4 2721 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [2,0,0,0,0,0|2,0,0]=4 2722 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [2,0,0,0,0,0|2,0,0]=4 2723 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [2,0,0,0,0,0|2,0,0]=4 2724 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [2,0,0,0,0,0|2,0,0]=4 2725 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [2,0,0,0,0,0|2,0,0]=4 2726 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [2,0,0,0,0,0|2,0,0]=4 2727 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [2,0,0,0,0,0|2,0,0]=4 2728 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [2,0,0,0,0,0|2,0,0]=4 2729 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [2,0,0,0,0,0|2,0,0]=4 2730 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 2731 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 2732 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 2733 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 2734 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 2735 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 2736 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [2,0,0,0,0,0|2,0,0]=4 2737 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [2,0,0,0,0,0|2,0,0]=4 2738 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [2,0,0,0,0,0|2,0,0]=4 2739 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [2,0,0,0,0,0|2,0,0]=4 2740 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [2,0,0,0,0,0|1,0,0]=3 2741 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [2,0,0,0,0,0|2,0,0]=4 2742 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [2,0,0,0,0,0|1,0,0]=3 2743 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [2,0,0,0,0,0|1,0,0]=3 2744 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [2,0,0,0,0,0|1,0,0]=3 2745 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [2,0,0,0,0,0|1,0,0]=3 2746 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [2,0,0,0,0,0|1,0,0]=3 2747 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [2,0,0,0,0,0|1,0,0]=3 2748 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [2,0,0,0,0,0|1,0,0]=3 2749 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [2,0,0,0,0,0|1,0,0]=3 2750 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [2,0,0,0,0,0|1,0,0]=3 2751 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [2,0,0,0,0,0|1,0,0]=3 2752 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [2,0,0,0,0,0|1,0,0]=3 2753 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [2,0,0,0,0,0|1,0,0]=3 2754 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [2,0,0,0,0,0|1,0,0]=3 2755 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [2,0,0,0,0,0|1,0,0]=3 2756 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [2,0,0,0,0,0|1,0,0]=3 2757 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [2,0,0,0,0,0|1,0,0]=3 2758 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [2,0,0,0,0,0|1,0,0]=3 2759 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [2,0,0,0,0,0|1,0,0]=3 2760 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [2,0,0,0,0,0|1,0,0]=3 2761 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [2,0,0,0,0,0|1,0,0]=3 2762 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [2,0,0,0,0,0|2,0,0]=4 2763 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [2,0,0,0,0,0|2,0,0]=4 2764 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [2,0,0,0,0,0|2,0,0]=4 2765 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [2,0,0,0,0,0|2,0,0]=4 2766 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [2,0,0,0,0,0|2,0,0]=4 2767 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [2,0,0,0,0,0|2,0,0]=4 2768 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [2,0,0,0,0,0|2,0,0]=4 2769 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [2,0,0,0,0,0|2,0,0]=4 2770 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [2,0,0,0,0,0|2,0,0]=4 2771 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [2,0,0,0,0,0|2,0,0]=4 2772 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [2,0,0,0,0,0|2,0,0]=4 2773 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [2,0,0,0,0,0|2,0,0]=4 2774 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [2,0,0,0,0,0|2,0,0]=4 2775 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [2,0,0,0,0,0|2,0,0]=4 2776 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [2,0,0,0,0,0|2,0,0]=4 2777 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [2,0,0,0,0,0|2,0,0]=4 2778 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [2,0,0,0,0,0|2,0,0]=4 2779 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [2,0,0,0,0,0|2,0,0]=4 2780 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [2,0,0,0,0,0|2,0,0]=4 2781 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [2,0,0,0,0,0|2,0,0]=4 2782 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [2,0,0,0,0,0|2,0,0]=4 2783 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [2,0,0,0,0,0|1,0,0]=3 2784 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [2,0,0,0,0,0|1,0,1]=4 2785 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [2,0,0,0,0,0|1,0,1]=4 2786 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [2,0,0,0,0,0|1,0,1]=4 2787 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [2,0,0,0,0,0|1,0,1]=4 2788 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [2,0,0,0,0,0|1,0,1]=4 2789 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [2,0,0,0,0,0|1,0,1]=4 2790 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [2,0,0,0,0,0|1,0,1]=4 2791 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [2,0,0,0,0,0|1,0,1]=4 2792 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [2,0,0,0,0,0|1,0,1]=4 2793 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [2,0,0,0,0,0|1,0,1]=4 2794 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [2,0,0,0,0,0|1,0,1]=4 2795 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [2,0,0,0,0,0|1,0,1]=4 2796 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [2,0,0,0,0,0|1,0,1]=4 2797 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [2,0,0,0,0,0|1,0,1]=4 2798 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [2,0,0,0,0,0|1,0,1]=4 2799 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [2,0,0,0,0,0|1,0,1]=4 2800 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [2,0,0,0,0,0|1,0,1]=4 2801 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [2,0,0,0,0,0|1,0,1]=4 2802 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [2,0,0,0,0,0|1,0,1]=4 2803 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [2,0,0,0,0,0|1,0,1]=4 2804 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [2,0,0,0,0,0|1,0,1]=4 2805 B9R0.45 CCC=CC=NNCCC 4a_100000740057_100011216943 [2,0,0,0,0,0|2,0,0]=4 2806 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [2,0,0,0,0,0|2,0,0]=4 2807 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [2,0,0,0,0,0|0,0,1]=3 2808 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [2,0,0,0,0,0|0,0,1]=3 2809 B9R0.45 CCCC/C=C/COCF 34a_200016272032_100015361967 [2,0,0,0,0,0|1,0,1]=4 2810 B9R0.45 CCCC/C=C/COCF 7a_200016272032_100015361967 [2,0,0,0,0,0|1,0,1]=4 2811 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [2,0,0,0,0,0|0,0,1]=3 2812 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [2,0,0,0,0,0|0,0,1]=3 2813 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [2,0,0,0,0,0|0,0,1]=3 2814 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [2,0,0,0,0,0|0,0,1]=3 2815 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [2,0,0,0,0,0|2,0,0]=4 2816 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [2,0,0,0,0,0|0,0,2]=4 2817 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [2,0,0,0,0,0|0,0,2]=4 2818 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [2,0,0,0,0,0|0,0,2]=4 2819 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [2,0,0,0,0,0|1,0,1]=4 2820 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [2,0,0,0,0,0|1,0,1]=4 2821 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [2,0,0,0,0,0|1,0,1]=4 2822 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [2,0,0,0,0,0|1,0,1]=4 2823 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [2,0,0,0,0,0|1,0,1]=4 2824 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [2,0,0,0,0,0|1,0,1]=4 2825 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [2,0,0,0,0,0|2,0,0]=4 2826 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [2,0,0,0,0,0|2,0,0]=4 2827 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [2,0,0,0,0,0|2,0,0]=4 2828 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [2,0,0,0,0,0|2,0,0]=4 2829 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [2,0,0,0,0,0|2,0,0]=4 2830 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [2,0,0,0,0,0|2,0,0]=4 2831 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [2,0,0,0,0,0|2,0,0]=4 2832 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [2,0,0,0,0,0|2,0,0]=4 2833 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [2,0,0,0,0,0|2,0,0]=4 2834 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [2,0,0,0,0,0|0,0,2]=4 2835 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [2,0,0,0,0,0|0,0,0]=2 2836 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [2,0,0,0,0,0|1,0,0]=3 2837 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [2,0,0,0,0,0|1,0,0]=3 2838 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [2,0,0,0,0,0|1,0,0]=3 2839 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [2,0,0,0,0,0|1,0,0]=3 2840 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [2,0,0,0,0,0|0,0,1]=3 2841 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [2,0,0,0,0,0|0,0,1]=3 2842 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [2,0,0,0,0,0|1,0,1]=4 2843 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [2,0,0,0,0,0|1,0,1]=4 2844 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [2,0,0,0,0,0|1,0,1]=4 2845 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [2,0,0,0,0,0|1,0,1]=4 2846 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [2,0,0,0,0,0|1,0,1]=4 2847 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [2,0,0,0,0,0|1,0,1]=4 2848 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [2,0,0,0,0,0|1,0,0]=3 2849 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [2,0,0,0,0,0|1,0,0]=3 2850 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [2,0,0,0,0,0|1,0,0]=3 2851 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [2,0,0,0,0,0|1,0,0]=3 2852 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [2,0,0,0,0,0|2,0,0]=4 2853 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [2,0,0,0,0,0|2,0,0]=4 2854 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [2,0,0,0,0,0|2,0,0]=4 2855 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [2,0,0,0,0,0|2,0,0]=4 2856 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [2,0,0,0,0,0|2,0,0]=4 2857 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [2,0,0,0,0,0|2,0,0]=4 2858 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [2,0,0,0,0,0|2,0,0]=4 2859 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [2,0,0,0,0,0|2,0,0]=4 2860 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [2,0,0,0,0,0|1,0,1]=4 2861 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [2,0,0,0,0,0|1,0,1]=4 2862 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [2,0,0,0,0,0|1,0,1]=4 2863 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [2,0,0,0,0,0|2,0,0]=4 2864 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [2,0,0,0,0,0|1,0,1]=4 2865 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [2,0,0,0,0,0|1,0,1]=4 2866 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [2,0,0,0,0,0|1,0,1]=4 2867 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [2,0,0,0,0,0|1,0,1]=4 2868 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [2,0,0,0,0,0|1,0,1]=4 2869 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [2,0,0,0,0,0|1,0,1]=4 2870 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [2,0,0,0,0,0|1,0,1]=4 2871 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [2,0,0,0,0,0|1,0,1]=4 2872 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [2,0,0,0,0,0|1,0,1]=4 2873 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [2,0,0,0,0,0|1,0,1]=4 2874 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [2,0,0,0,0,0|1,0,1]=4 2875 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [2,0,0,0,0,0|2,0,0]=4 2876 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [2,0,0,0,0,0|1,0,1]=4 2877 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [2,0,0,0,0,0|1,0,1]=4 2878 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [2,0,0,0,0,0|1,0,1]=4 2879 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [2,0,0,0,0,0|1,0,1]=4 2880 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [2,0,0,0,0,0|2,0,0]=4 2881 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [2,0,0,0,0,0|1,0,0]=3 2882 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [2,0,0,0,0,0|1,0,1]=4 2883 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [2,0,0,0,0,0|2,0,0]=4 2884 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [2,0,0,0,0,0|1,0,0]=3 2885 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [2,0,0,0,0,0|1,0,1]=4 2886 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [2,0,0,0,0,0|1,0,1]=4 2887 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [2,0,0,0,0,0|2,0,0]=4 2888 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [2,0,0,0,0,0|2,0,0]=4 2889 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [2,0,0,0,0,0|2,0,0]=4 2890 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [2,0,0,0,0,0|2,0,0]=4 2891 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [2,0,0,0,0,0|2,0,0]=4 2892 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [2,0,0,0,0,0|2,0,0]=4 2893 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [2,0,0,0,0,0|2,0,0]=4 2894 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [2,0,0,0,0,0|2,0,0]=4 2895 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [2,0,0,0,0,0|2,0,0]=4 2896 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [2,0,0,0,0,0|1,0,0]=3 2897 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [2,0,0,0,0,0|1,0,0]=3 2898 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [2,0,0,0,0,0|1,0,1]=4 2899 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [2,0,0,0,0,0|1,0,1]=4 2900 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [2,0,0,0,0,0|2,0,0]=4 2901 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [2,0,0,0,0,0|2,0,0]=4 2902 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [2,0,0,0,0,0|2,0,0]=4 2903 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [2,0,0,0,0,0|2,0,0]=4 2904 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [2,0,0,0,0,0|1,0,1]=4 2905 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [2,0,0,0,0,0|1,0,1]=4 2906 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [2,0,0,0,0,0|1,0,1]=4 2907 B9R0.46 COC(=O)/C=C/CSCF 62a_100000742655_100015361967 [2,0,0,0,0,0|2,0,0]=4 2908 B9R0.46 COC(=O)/C=C/CSCF 62a_100015361967_100000742655 [2,0,0,0,0,0|2,0,0]=4 2909 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [2,0,0,0,0,0|1,0,1]=4 2910 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [2,0,0,0,0,0|1,0,1]=4 2911 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [2,0,0,0,0,0|1,0,1]=4 2912 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [2,0,0,0,0,0|1,0,1]=4 2913 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [2,0,0,0,0,0|1,0,1]=4 2914 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [2,0,0,0,0,0|1,0,1]=4 2915 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [2,0,0,0,0,0|1,0,1]=4 2916 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [2,0,0,0,0,0|1,0,1]=4 2917 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [2,0,0,0,0,0|1,0,1]=4 2918 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [2,0,0,0,0,0|0,0,2]=4 2919 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [2,0,0,0,0,0|0,0,2]=4 2920 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [2,0,0,0,0,0|0,0,2]=4 2921 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [2,0,0,0,0,0|0,0,2]=4 2922 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [2,0,0,0,0,0|0,0,2]=4 2923 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [2,0,0,0,0,0|0,0,2]=4 2924 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [2,0,0,0,0,0|0,0,0]=2 2925 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [2,0,0,0,0,0|0,0,0]=2 2926 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|0,0,2]=4 2927 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|0,0,2]=4 2928 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|0,0,2]=4 2929 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [2,0,0,0,0,0|1,0,1]=4 2930 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [2,0,0,0,0,0|1,0,1]=4 2931 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [2,0,0,0,0,0|1,0,1]=4 2932 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [2,0,0,0,0,0|1,0,1]=4 2933 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [2,0,0,0,0,0|1,0,1]=4 2934 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [2,0,0,0,0,0|2,0,0]=4 2935 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|1,0,1]=4 2936 B11R0.2 C=C(C)CC(=O)C=CCCCC 1458a_100016266645_100000748629 [1,1,0,0,0,0|1,0,1]=4 2937 B11R0.2 CCCCC=CC(=O)CC(C)C 1458a_100016266645_100000210624 [1,1,0,0,0,0|1,0,0]=3 2938 B11R0.2 CCCCC=CC(=O)CC(C)O 1458a_100016266645_100011218427 [1,1,0,0,0,0|1,0,0]=3 2939 B11R0.2 CCCCC=CC(=O)CC(F)F 1458a_100016266645_100011934356 [1,1,0,0,0,0|2,0,0]=4 2940 B11R0.2 CCCCC=CC(=O)NC(C)C 11a_100138425928_100016266645 [1,1,0,0,0,0|1,0,0]=3 2941 B11R0.2 CCCCC=CC(=O)NC(C)C 1626a_100138425928_100016266645 [1,1,0,0,0,0|1,0,0]=3 2942 B11R0.2 CCCCC=CC(=O)NC(C)C 240690a_100138425928_100016266645 [1,1,0,0,0,0|1,0,0]=3 2943 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [1,1,0,0,0,0|1,0,1]=4 2944 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [1,1,0,0,0,0|1,0,1]=4 2945 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [1,1,0,0,0,0|1,0,1]=4 2946 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [1,1,0,0,0,0|1,0,1]=4 2947 B11R0.2 CCCCCCC(=O)NC(C)C 11a_100138425928_100102632555 [1,1,0,0,0,0|1,0,1]=4 2948 B11R0.2 CCCCCCC(=O)NC(C)C 1626a_100138425928_100102632555 [1,1,0,0,0,0|1,0,1]=4 2949 B11R0.2 CCCCCCC(=O)NC(C)C 240690a_100138425928_100102632555 [1,1,0,0,0,0|1,0,1]=4 2950 B11R0.2 CCCCCCC(=O)NC(C)C 527a_100138425928_100102632555 [1,1,0,0,0,0|1,0,1]=4 2951 B11R0.2 CCCCCNC(=O)CC(C)C 11a_100000209983_100000210554 [1,1,0,0,0,0|2,0,0]=4 2952 B11R0.2 CCCCCNC(=O)CC(C)C 1626a_100000209983_100000210554 [1,1,0,0,0,0|2,0,0]=4 2953 B11R0.2 CCCCCNC(=O)CC(C)C 240690a_100000209983_100000210554 [1,1,0,0,0,0|2,0,0]=4 2954 B11R0.2 CCCCCNC(=O)CC(C)C 527a_100000209983_100000210554 [1,1,0,0,0,0|2,0,0]=4 2955 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [1,1,0,0,0,0|2,0,0]=4 2956 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100000209983_100138425928 [1,1,0,0,0,0|2,0,0]=4 2957 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100138425928_100000209983 [1,1,0,0,0,0|2,0,0]=4 2958 B11R0.2 CCCCCNC(=O)NC(C)C 273464a_100138425928_100000209983 [1,1,0,0,0,0|2,0,0]=4 2959 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100000209983_100138425928 [1,1,0,0,0,0|2,0,0]=4 2960 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100138425928_100000209983 [1,1,0,0,0,0|2,0,0]=4 2961 B11R0.2 CCCCNCC(=O)OC(C)C 2230a_100000102301_100011215430 [1,1,0,0,0,0|1,0,1]=4 2962 B11R0.2 CCCCNCC(=O)OC(C)C 7a_106832991798_100011215430 [1,1,0,0,0,0|1,0,1]=4 2963 B11R0.2 CCCCOCC(=O)OC(C)C 34a_100000210227_100011215430 [1,1,0,0,0,0|1,0,1]=4 2964 B11R0.2 CCCCOCC(=O)OC(C)C 7a_100000210227_100011215430 [1,1,0,0,0,0|1,0,1]=4 2965 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100000210211_100011215430 [1,1,0,0,0,0|1,0,1]=4 2966 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100011215430_100000210210 [1,1,0,0,0,0|1,0,1]=4 2967 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000210303_100000760027 [1,1,0,0,0,0|1,0,1]=4 2968 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000760027_100000210303 [1,1,0,0,0,0|1,0,1]=4 2969 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000003507_100000210303 [1,1,0,0,0,0|2,0,0]=4 2970 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000210303_100000003507 [1,1,0,0,0,0|2,0,0]=4 2971 B11R0.5 CCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210211 [1,1,0,0,0,0|2,0,0]=4 2972 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [1,1,0,0,0,0|1,0,1]=4 2973 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [1,1,0,0,0,0|1,0,1]=4 2974 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [1,1,0,0,0,0|0,0,1]=3 2975 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [1,1,0,0,0,0|0,0,1]=3 2976 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [1,1,0,0,0,0|2,0,0]=4 2977 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [1,1,0,0,0,0|2,0,0]=4 2978 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [1,1,0,0,0,0|2,0,0]=4 2979 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [1,1,0,0,0,0|2,0,0]=4 2980 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100000126638_100015525214 [1,1,0,0,0,0|2,0,0]=4 2981 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100015525214_100000126638 [1,1,0,0,0,0|2,0,0]=4 2982 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100000126638_100015525214 [1,1,0,0,0,0|2,0,0]=4 2983 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100015525214_100000126638 [1,1,0,0,0,0|2,0,0]=4 2984 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100000126638_100015525214 [1,1,0,0,0,0|2,0,0]=4 2985 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100015525214_100000126638 [1,1,0,0,0,0|2,0,0]=4 2986 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [1,1,0,0,0,0|1,0,1]=4 2987 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [1,1,0,0,0,0|1,0,1]=4 2988 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [1,1,0,0,0,0|1,0,1]=4 2989 B11R0.5 CCCNC(=O)CC(=O)OCC 240690a_100020643023_100000243816 [1,1,0,0,0,0|1,0,1]=4 2990 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [1,1,0,0,0,0|1,0,1]=4 2991 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [1,1,0,0,0,0|1,0,1]=4 2992 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [1,1,0,0,0,0|1,0,1]=4 2993 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [1,1,0,0,0,0|2,0,0]=4 2994 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [1,1,0,0,0,0|2,0,0]=4 2995 B11R0.5 CCNCC(=CC(=O)OCC)C 2230a_100015525214_100135422193 [1,1,0,0,0,0|1,0,0]=3 2996 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100000210202_100135422193 [1,1,0,0,0,0|1,0,0]=3 2997 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100135422193_100000210202 [1,1,0,0,0,0|1,0,0]=3 2998 B11R0.5 CCOC(=O)C=C(C)CSCF 62a_100015361967_100135422193 [1,1,0,0,0,0|2,0,0]=4 2999 B11R0.5 CCOC(=O)C=C(C)CSCF 62a_100135422193_100015361967 [1,1,0,0,0,0|2,0,0]=4 3000 B11R0.5 CCOC(=O)CC(=O)CCCF 1458a_100000243816_100011934791 [1,1,0,0,0,0|1,0,1]=4 3001 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [1,1,0,0,0,0|1,0,1]=4 3002 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000243816_100000233755 [1,1,0,0,0,0|1,0,1]=4 3003 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000188475 [1,1,0,0,0,0|1,0,1]=4 3004 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000188475 [1,1,0,0,0,0|1,0,1]=4 3005 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000243816_100000751147 [1,1,0,0,0,0|1,0,1]=4 3006 B11R0.5 CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000188475 [1,1,0,0,0,0|1,0,1]=4 3007 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210202_100000210311 [1,1,0,0,0,0|1,0,1]=4 3008 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210311_100000210202 [1,1,0,0,0,0|1,0,1]=4 3009 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [1,1,0,0,0,0|1,0,1]=4 3010 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [1,1,0,0,0,0|1,0,1]=4 3011 B11R0.5 CCOC(=O)NC(=O)CSCC 62a_100000210202_100000010344 [1,1,0,0,0,0|2,0,0]=4 3012 B11R0.5 CCOCC(=CC(=O)OCC)C 34a_100121572206_100135422193 [1,1,0,0,0,0|1,0,0]=3 3013 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [1,1,0,0,0,0|1,0,1]=4 3014 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [1,1,0,0,0,0|1,0,1]=4 3015 B11R0.62 CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210303 [1,1,0,0,0,0|0,0,1]=3 3016 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [1,1,0,0,0,0|0,0,2]=4 3017 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [1,1,0,0,0,0|1,0,1]=4 3018 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [1,1,0,0,0,0|1,0,1]=4 3019 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [1,1,0,0,0,0|1,0,1]=4 3020 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [1,1,0,0,0,0|1,0,1]=4 3021 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [1,1,0,0,0,0|1,0,1]=4 3022 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [1,1,0,0,0,0|1,0,1]=4 3023 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [1,1,0,0,0,0|1,0,1]=4 3024 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [1,1,0,0,0,0|1,0,1]=4 3025 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [1,1,0,0,0,0|1,0,1]=4 3026 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [1,1,0,0,0,0|1,0,1]=4 3027 B11R0.62 CCNC(=O)C=CC(=O)OCC 240690a_100015525214_100000210415 [1,1,0,0,0,0|1,0,1]=4 3028 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [1,1,0,0,0,0|1,0,1]=4 3029 B11R0.62 CCOC(=O)C=CC(=O)CCF 1458a_100000210415_100011217306 [1,1,0,0,0,0|1,0,1]=4 3030 B11R0.62 CCOC(=O)C=CC(=O)CCO 1458a_100000210415_100000211926 [1,1,0,0,0,0|1,0,1]=4 3031 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [1,1,0,0,0,0|1,0,1]=4 3032 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [1,1,0,0,0,0|1,0,1]=4 3033 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [1,1,0,0,0,0|1,0,1]=4 3034 B11R0.81 C#CCCC(=O)C=CCCCC 1458a_100016266645_100000753159 [1,1,0,0,0,0|1,0,1]=4 3035 B11R0.81 C#CCNC(=O)C=CCCCC 11a_100000212058_100016266645 [1,1,0,0,0,0|1,0,1]=4 3036 B11R0.81 C#CCNC(=O)C=CCCCC 1626a_100000212058_100016266645 [1,1,0,0,0,0|1,0,1]=4 3037 B11R0.81 C#CCNC(=O)C=CCCCC 240690a_100000212058_100016266645 [1,1,0,0,0,0|1,0,1]=4 3038 B11R0.81 C/C=C/CC(=O)C=CCCCC 1458a_100016266645_100102629194 [1,1,0,0,0,0|1,0,1]=4 3039 B11R0.81 C=CCCC(=O)C=CCCCC 1458a_100016266645_100000754431 [1,1,0,0,0,0|1,0,1]=4 3040 B11R0.81 C=CCNC(=O)C=CCCCC 1626a_100020586998_100016266645 [1,1,0,0,0,0|1,0,1]=4 3041 B11R0.81 C=CCNC(=O)C=CCCCC 240690a_100020586998_100016266645 [1,1,0,0,0,0|1,0,1]=4 3042 B11R0.81 CC#CCC(=O)C=CCCCC 1458a_100016266645_100000748600 [1,1,0,0,0,0|1,0,1]=4 3043 B11R0.81 CC=CCC(=O)C=CCCCC 1458a_100016266645_100000070051 [1,1,0,0,0,0|1,0,1]=4 3044 B11R0.81 CCC#CC(=O)CCCCCC 1458a_100011827653_100000210757 [1,1,0,0,0,0|1,0,1]=4 3045 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [1,1,0,0,0,0|1,0,1]=4 3046 B11R0.81 CCC=CC(=O)NCCCCC 11a_100000209983_100000212282 [1,1,0,0,0,0|2,0,0]=4 3047 B11R0.81 CCC=CC(=O)NCCCCC 1626a_100000209983_100000212282 [1,1,0,0,0,0|2,0,0]=4 3048 B11R0.81 CCC=CC(=O)NCCCCC 240690a_100000209983_100000212282 [1,1,0,0,0,0|2,0,0]=4 3049 B11R0.81 CCCCC=CC(=NNCC)C 4a_100000756455_100016278450 [1,1,0,0,0,0|2,0,0]=4 3050 B11R0.81 CCCCC=CC(=O)CCC#N 1458a_100016266645_100011215226 [1,1,0,0,0,0|1,0,1]=4 3051 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [1,1,0,0,0,0|1,0,0]=3 3052 B11R0.81 CCCCC=CC(=O)CCCF 1458a_100016266645_100011934791 [1,1,0,0,0,0|1,0,0]=3 3053 B11R0.81 CCCCC=CC(=O)CCCO 1458a_100016266645_100011215043 [1,1,0,0,0,0|1,0,0]=3 3054 B11R0.81 CCCCC=CC(=O)CCOC 1458a_100016266645_100000233755 [1,1,0,0,0,0|1,0,0]=3 3055 B11R0.81 CCCCC=CC(=O)CCSC 1458a_100016266645_100000751147 [1,1,0,0,0,0|1,0,0]=3 3056 B11R0.81 CCCCC=CC(=O)NCC#N 1626a_100000734998_100016266645 [1,1,0,0,0,0|1,0,1]=4 3057 B11R0.81 CCCCC=CC(=O)NCCC 11a_100020643023_100016266645 [1,1,0,0,0,0|1,0,0]=3 3058 B11R0.81 CCCCC=CC(=O)NCCC 1626a_100020643023_100016266645 [1,1,0,0,0,0|1,0,0]=3 3059 B11R0.81 CCCCC=CC(=O)NCCC 240690a_100020643023_100016266645 [1,1,0,0,0,0|1,0,0]=3 3060 B11R0.81 CCCCC=CC(=O)NCCF 11a_100000724931_100016266645 [1,1,0,0,0,0|1,0,0]=3 3061 B11R0.81 CCCCC=CC(=O)NCCF 1626a_100000724931_100016266645 [1,1,0,0,0,0|1,0,0]=3 3062 B11R0.81 CCCCC=CC(=O)NCCF 240690a_100000724931_100016266645 [1,1,0,0,0,0|1,0,0]=3 3063 B11R0.81 CCCCC=CC(=O)NCCO 240690a_100000210304_100016266645 [1,1,0,0,0,0|1,0,0]=3 3064 B11R0.81 CCCCC=CC(=O)NNCC 22a_100000756455_100016266645 [1,1,0,0,0,0|1,0,0]=3 3065 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [1,1,0,0,0,0|1,0,1]=4 3066 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [1,1,0,0,0,0|1,0,1]=4 3067 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [1,1,0,0,0,0|1,0,1]=4 3068 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [1,1,0,0,0,0|1,0,1]=4 3069 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [1,1,0,0,0,0|1,0,1]=4 3070 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [1,1,0,0,0,0|1,0,1]=4 3071 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [1,1,0,0,0,0|1,0,1]=4 3072 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [1,1,0,0,0,0|1,0,1]=4 3073 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [1,1,0,0,0,0|0,0,1]=3 3074 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [1,1,0,0,0,0|0,1,1]=4 3075 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [1,1,0,0,0,0|1,0,1]=4 3076 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [1,1,0,0,0,0|1,0,1]=4 3077 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [1,1,0,0,0,0|1,0,1]=4 3078 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [1,1,0,0,0,0|1,0,1]=4 3079 B11R0.81 CCCCCCC(=O)NCCF 11a_100000724931_100102632555 [1,1,0,0,0,0|1,0,1]=4 3080 B11R0.81 CCCCCCC(=O)NCCF 1626a_100000724931_100102632555 [1,1,0,0,0,0|1,0,1]=4 3081 B11R0.81 CCCCCCC(=O)NCCF 240690a_100000724931_100102632555 [1,1,0,0,0,0|1,0,1]=4 3082 B11R0.81 CCCCCCC(=O)NCCF 527a_100000724931_100102632555 [1,1,0,0,0,0|1,0,1]=4 3083 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [1,1,0,0,0,0|1,0,1]=4 3084 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [1,1,0,0,0,0|1,0,1]=4 3085 B11R0.81 CCCCCCC(=O)NNCC 22a_100000756455_100102632555 [1,1,0,0,0,0|1,0,1]=4 3086 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [1,1,0,0,0,0|2,0,0]=4 3087 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [1,1,0,0,0,0|2,0,0]=4 3088 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [1,1,0,0,0,0|2,0,0]=4 3089 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [1,1,0,0,0,0|2,0,0]=4 3090 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [1,1,0,0,0,0|2,0,0]=4 3091 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [1,1,0,0,0,0|2,0,0]=4 3092 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [1,1,0,0,0,0|2,0,0]=4 3093 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [1,1,0,0,0,0|2,0,0]=4 3094 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [1,1,0,0,0,0|2,0,0]=4 3095 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [1,1,0,0,0,0|2,0,0]=4 3096 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [1,1,0,0,0,0|2,0,0]=4 3097 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [1,1,0,0,0,0|2,0,0]=4 3098 B11R0.81 CCCCCNC(=O)CNCC 2230a_100015525214_100000230301 [1,1,0,0,0,0|2,0,0]=4 3099 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [1,1,0,0,0,0|1,0,0]=3 3100 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [1,1,0,0,0,0|1,0,0]=3 3101 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [1,1,0,0,0,0|1,0,0]=3 3102 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [1,1,0,0,0,0|1,0,0]=3 3103 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [1,1,0,0,0,0|1,0,0]=3 3104 B11R0.81 CCCCCNC(=O)CSCC 11a_100000209983_100000230394 [1,1,0,0,0,0|1,1,0]=4 3105 B11R0.81 CCCCCNC(=O)CSCC 1626a_100000209983_100000230394 [1,1,0,0,0,0|1,1,0]=4 3106 B11R0.81 CCCCCNC(=O)CSCC 240690a_100000209983_100000230394 [1,1,0,0,0,0|1,1,0]=4 3107 B11R0.81 CCCCCNC(=O)CSCC 527a_100000209983_100000230394 [1,1,0,0,0,0|1,1,0]=4 3108 B11R0.81 CCCCCNC(=O)CSCC 62a_100000210202_100000230301 [1,1,0,0,0,0|1,1,0]=4 3109 B11R0.81 CCCCCNC(=O)CSCC 62a_100000230301_100000210202 [1,1,0,0,0,0|1,1,0]=4 3110 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [1,1,0,0,0,0|2,0,0]=4 3111 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [1,1,0,0,0,0|2,0,0]=4 3112 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [1,1,0,0,0,0|2,0,0]=4 3113 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [1,1,0,0,0,0|2,0,0]=4 3114 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [1,1,0,0,0,0|2,0,0]=4 3115 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [1,1,0,0,0,0|2,0,0]=4 3116 B11R0.81 CCCCCNC(=O)NCCF 2708a_100000209983_100000724931 [1,1,0,0,0,0|2,0,0]=4 3117 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000209983_100000724931 [1,1,0,0,0,0|2,0,0]=4 3118 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000724931_100000209983 [1,1,0,0,0,0|2,0,0]=4 3119 B11R0.81 CCCCCNC(=O)NCCF 512a_100000209983_100000724931 [1,1,0,0,0,0|2,0,0]=4 3120 B11R0.81 CCCCCNC(=O)NCCO 2708a_100000209983_100000210304 [1,1,0,0,0,0|2,0,0]=4 3121 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000209983_100000210304 [1,1,0,0,0,0|2,0,0]=4 3122 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000210304_100000209983 [1,1,0,0,0,0|2,0,0]=4 3123 B11R0.81 CCCCCNC(=O)NCCO 512a_100000209983_100000210304 [1,1,0,0,0,0|2,0,0]=4 3124 B11R0.81 CCCCCNC(=O)NNCC 273464a_100000209983_100000756455 [1,1,0,0,0,0|2,0,0]=4 3125 B11R0.81 CCCCCNC(=O)NNCC 512a_100000209983_100000756455 [1,1,0,0,0,0|2,0,0]=4 3126 B11R0.81 CCCCCNC(=O)NNCC 512a_100000756455_100000209983 [1,1,0,0,0,0|2,0,0]=4 3127 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [1,1,0,0,0,0|1,0,1]=4 3128 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [1,1,0,0,0,0|1,0,1]=4 3129 B11R0.81 CCCCNNC(=O)COCC 22a_100025702795_100000211967 [1,1,0,0,0,0|2,0,0]=4 3130 B11R0.81 CCCCOCC(=O)COCC 1458a_100000211967_100011995733 [1,1,0,0,0,0|1,0,1]=4 3131 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [1,1,0,0,0,0|1,0,1]=4 3132 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [1,1,0,0,0,0|1,0,1]=4 3133 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [1,1,0,0,0,0|1,0,1]=4 3134 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [1,1,0,0,0,0|1,0,1]=4 3135 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [1,1,0,0,0,0|2,0,0]=4 3136 B11R0.81 CCCOCCC(=O)COCC 1458a_100000211967_100011215938 [1,1,0,0,0,0|1,0,1]=4 3137 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [1,1,0,0,0,0|2,0,0]=4 3138 B11R0.81 CCOCC(=O)CCCCCF 1458a_100000211967_100000729378 [1,1,0,0,0,0|1,0,1]=4 3139 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [1,1,0,0,0,0|1,0,1]=4 3140 B11R0.81 CCOCC(=O)CCCCOC 1458a_100000211967_100000755781 [1,1,0,0,0,0|1,0,1]=4 3141 B11R0.81 CCOCC(=O)NCCCCO 240690a_100000750430_100000211967 [1,1,0,0,0,0|2,0,0]=4 3142 B11R0.81 CCOCC(=O)NCCCCO 527a_100000750430_100000211967 [1,1,0,0,0,0|2,0,0]=4 3143 B11R0.81 CCOCC(=O)NCCCOC 1626a_100150723488_100000211967 [1,1,0,0,0,0|2,0,0]=4 3144 B11R0.81 CCOCC(=O)NCCCOC 240690a_100150723488_100000211967 [1,1,0,0,0,0|2,0,0]=4 3145 B11R0.81 CCOCC(=O)NCCCOC 34a_100121572206_100000183178 [1,1,0,0,0,0|2,0,0]=4 3146 B11R0.81 CCOCC(=O)NCCCOC 527a_100150723488_100000211967 [1,1,0,0,0,0|2,0,0]=4 3147 B11R0.81 CCOCC(=O)NCCCSC 11a_100000749238_100000211967 [1,1,0,0,0,0|2,0,0]=4 3148 B11R0.81 CCOCC(=O)NCCCSC 1626a_100000749238_100000211967 [1,1,0,0,0,0|2,0,0]=4 3149 B11R0.81 CCOCC(=O)NCCCSC 240690a_100000749238_100000211967 [1,1,0,0,0,0|2,0,0]=4 3150 B11R0.81 CCOCC(=O)NCCCSC 527a_100000749238_100000211967 [1,1,0,0,0,0|2,0,0]=4 3151 B11R0.81 CCOCC(=O)NCCSCC 11a_100000106463_100000211967 [1,1,0,0,0,0|2,0,0]=4 3152 B11R0.81 CCOCC(=O)NCCSCC 1626a_100000106463_100000211967 [1,1,0,0,0,0|2,0,0]=4 3153 B11R0.81 CCOCC(=O)NCCSCC 240690a_100000106463_100000211967 [1,1,0,0,0,0|2,0,0]=4 3154 B11R0.81 CCOCC(=O)NCCSCC 527a_100000106463_100000211967 [1,1,0,0,0,0|2,0,0]=4 3155 B11R0.81 CCOCCCC(=O)COCC 1458a_100000211967_100012232248 [1,1,0,0,0,0|1,0,1]=4 3156 B11R0.81 CCOCCNC(=O)COCC 11a_100011200944_100000211967 [1,1,0,0,0,0|2,0,0]=4 3157 B11R0.81 CCOCCNC(=O)COCC 1626a_102516460346_100000211967 [1,1,0,0,0,0|2,0,0]=4 3158 B11R0.81 CCOCCNC(=O)COCC 240690a_100011200944_100000211967 [1,1,0,0,0,0|2,0,0]=4 3159 B11R0.81 CCOCCNC(=O)COCC 527a_100011200944_100000211967 [1,1,0,0,0,0|2,0,0]=4 3160 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [1,1,0,0,0,0|2,0,0]=4 3161 B11R0.142 CCCCC=CC(=O)C(C)CC 1458a_100016266645_100000758301 [1,1,0,0,0,0|1,0,0]=3 3162 B11R0.142 CCCCC=CC(=O)N(C)CC 11a_100000225621_100016266645 [1,1,0,0,0,0|1,0,0]=3 3163 B11R0.142 CCCCC=CC(=O)N(C)CC 1626a_100000225621_100016266645 [1,1,0,0,0,0|1,0,0]=3 3164 B11R0.142 CCCCC=CC(=O)N(C)CC 240690a_100000225621_100016266645 [1,1,0,0,0,0|1,0,0]=3 3165 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [1,1,0,0,0,0|1,0,1]=4 3166 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [1,1,0,0,0,0|1,0,1]=4 3167 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [1,1,0,0,0,0|1,0,1]=4 3168 B11R0.142 CCCCCCC(=O)N(C)CC 11a_100000225621_100102632555 [1,1,0,0,0,0|1,0,1]=4 3169 B11R0.142 CCCCCCC(=O)N(C)CC 1626a_100000225621_100102632555 [1,1,0,0,0,0|1,0,1]=4 3170 B11R0.142 CCCCCCC(=O)N(C)CC 240690a_100000225621_100102632555 [1,1,0,0,0,0|1,0,1]=4 3171 B11R0.142 CCCCCCC(=O)N(C)CC 527a_100000225621_100102632555 [1,1,0,0,0,0|1,0,1]=4 3172 B11R0.142 CCCCCNC(=O)C(C)CC 11a_100000209983_100011192722 [1,1,0,0,0,0|2,0,0]=4 3173 B11R0.142 CCCCCNC(=O)C(C)CC 1626a_100000209983_100011192722 [1,1,0,0,0,0|2,0,0]=4 3174 B11R0.142 CCCCCNC(=O)C(C)CC 240690a_100000209983_100011192722 [1,1,0,0,0,0|2,0,0]=4 3175 B11R0.142 CCCCCNC(=O)C(C)CC 527a_100000209983_100011192722 [1,1,0,0,0,0|2,0,0]=4 3176 B11R0.142 CCCCCNC(=O)C(O)CC 240690a_100000209983_100011196387 [1,1,0,0,0,0|2,0,0]=4 3177 B11R0.142 CCCCCNC(=O)N(C)CC 2708a_100000209983_100000225621 [1,1,0,0,0,0|2,0,0]=4 3178 B11R0.142 CCCCCNC(=O)N(C)CC 273464a_100000209983_100000225621 [1,1,0,0,0,0|2,0,0]=4 3179 B11R0.155 C=C(CNCCF)C(=O)OCC 34a_100000724931_100000755967 [1,1,0,0,0,0|2,0,0]=4 3180 B11R0.155 C=C(CNCCO)C(=O)OCC 34a_100016990907_100000755967 [1,1,0,0,0,0|2,0,0]=4 3181 B11R0.155 C=C(COCCBr)C(=O)OCC 34a_100000211926_100000755967 [1,1,0,0,0,0|2,0,0]=4 3182 B11R0.155 C=C(COCCC)C(=O)OCC 34a_100000210258_100000755967 [1,1,0,0,0,0|1,0,0]=3 3183 B11R0.155 C=C(COCCN)C(=O)OCC 34a_100000210304_100000755967 [1,1,0,0,0,0|2,0,0]=4 3184 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000210303_100000755967 [1,1,0,0,0,0|1,0,0]=3 3185 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000755967_100000210303 [1,1,0,0,0,0|1,0,0]=3 3186 B11R0.155 C=C(CSCCF)C(=O)OCC 62a_100000755967_100011217306 [1,1,0,0,0,0|2,0,0]=4 3187 B11R0.155 C=C(CSCCF)C(=O)OCC 62a_100011217306_100000755967 [1,1,0,0,0,0|2,0,0]=4 3188 B11R0.155 C=C(CSCCO)C(=O)OCC 62a_100000211926_100000755967 [1,1,0,0,0,0|2,0,0]=4 3189 B11R0.155 C=C(CSCCO)C(=O)OCC 62a_100000755967_100000211926 [1,1,0,0,0,0|2,0,0]=4 3190 B11R0.155 C=C(CSCOC)C(=O)OCC 62a_100000755967_100000766300 [1,1,0,0,0,0|2,0,0]=4 3191 B11R0.155 C=C(CSCOC)C(=O)OCC 62a_100000766300_100000755967 [1,1,0,0,0,0|2,0,0]=4 3192 B11R0.155 C=C(CSCSC)C(=O)OCC 62a_100000755967_100011218213 [1,1,0,0,0,0|2,0,0]=4 3193 B11R0.155 C=C(CSCSC)C(=O)OCC 62a_100011218213_100000755967 [1,1,0,0,0,0|2,0,0]=4 3194 B11R0.155 CC/C=C(\C)/C(=O)CCCCC 1458a_100016988807_100000210326 [1,1,0,0,0,0|2,0,0]=4 3195 B11R0.155 CCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210326 [1,1,0,0,0,0|1,0,0]=3 3196 B11R0.155 CCCCCC(=O)C(C)OCC 1458a_100000739345_100000210326 [1,1,0,0,0,0|1,0,1]=4 3197 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [1,1,0,0,0,0|1,0,1]=4 3198 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [1,1,0,0,0,0|1,0,1]=4 3199 B11R0.155 CCCCCC(C)C(=O)NCC 11a_100015525214_100011215998 [1,1,0,0,0,0|1,0,1]=4 3200 B11R0.155 CCCCCC(C)C(=O)NCC 240690a_100015525214_100011215998 [1,1,0,0,0,0|1,0,1]=4 3201 B11R0.155 CCCCCC(C)C(=O)NCC 527a_100015525214_100011215998 [1,1,0,0,0,0|1,0,1]=4 3202 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [1,1,0,0,0,0|2,0,0]=4 3203 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [1,1,0,0,0,0|2,0,0]=4 3204 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [1,1,0,0,0,0|2,0,0]=4 3205 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [1,1,0,0,0,0|2,0,0]=4 3206 B11R0.155 CCCCCN(C)C(=O)NCC 2708a_100015525214_100000223495 [1,1,0,0,0,0|2,0,0]=4 3207 B11R0.155 CCCCCN(C)C(=O)NCC 273464a_100015525214_100000223495 [1,1,0,0,0,0|2,0,0]=4 3208 B11R0.155 CCCCNC(=O)C(=O)NCC 1626a_100000102301_200011297158 [1,1,0,0,0,0|2,0,0]=4 3209 B11R0.155 CCCCNC(=O)C(=O)NCC 240690a_100000102301_200011297158 [1,1,0,0,0,0|2,0,0]=4 3210 B11R0.155 CCCCNC(=O)C(=O)NCC 527a_100000102301_200011297158 [1,1,0,0,0,0|2,0,0]=4 3211 B11R0.155 CCCCNC(=O)C(=O)OCC 11a_100000102301_100014798877 [1,1,0,0,0,0|1,0,0]=3 3212 B11R0.155 CCCCNC(=O)C(=O)OCC 1626a_100000102301_100014798877 [1,1,0,0,0,0|1,0,0]=3 3213 B11R0.155 CCCCNC(=O)C(=O)OCC 240690a_100000102301_100014798877 [1,1,0,0,0,0|1,0,0]=3 3214 B11R0.155 CCCCNC(C)C(=O)OCC 2230a_100000102301_100011215307 [1,1,0,0,0,0|1,0,1]=4 3215 B11R0.155 CCCCNC(C)C(=O)OCC 7a_106832991798_100011216346 [1,1,0,0,0,0|1,0,1]=4 3216 B11R0.155 CCCCNC(F)C(=O)OCC 2230a_100000102301_100000760018 [1,1,0,0,0,0|1,0,1]=4 3217 B11R0.155 CCCCNC(F)C(=O)OCC 7a_106832991798_100000040065 [1,1,0,0,0,0|1,0,1]=4 3218 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [1,1,0,0,0,0|1,0,1]=4 3219 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [1,1,0,0,0,0|1,0,1]=4 3220 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [1,1,0,0,0,0|1,0,1]=4 3221 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [1,1,0,0,0,0|1,0,1]=4 3222 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [1,1,0,0,0,0|1,0,1]=4 3223 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100000210211_100011216346 [1,1,0,0,0,0|1,0,1]=4 3224 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100011216346_100000210210 [1,1,0,0,0,0|1,0,1]=4 3225 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000210211_100000760018 [1,1,0,0,0,0|1,0,1]=4 3226 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000760018_100000210210 [1,1,0,0,0,0|1,0,1]=4 3227 B11R0.155 CCCNN=C(C)C(=O)OCC 4a_100000740057_100000209952 [1,1,0,0,0,0|2,0,0]=4 3228 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000210303_100000211299 [1,1,0,0,0,0|1,0,0]=3 3229 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000211299_100000210303 [1,1,0,0,0,0|1,0,0]=3 3230 B11R0.155 CCNC(=O)C(=O)CCCCF 1458a_200011297158_100000729493 [1,1,0,0,0,0|2,0,0]=4 3231 B11R0.155 CCNC(=O)C(=O)CCCCO 1458a_200011297158_100000210776 [1,1,0,0,0,0|2,0,0]=4 3232 B11R0.155 CCNC(=O)C(=O)CCCOC 1458a_200011297158_100000740836 [1,1,0,0,0,0|2,0,0]=4 3233 B11R0.155 CCNC(=O)C(=O)CCOCC 1458a_200011297158_100011215890 [1,1,0,0,0,0|2,0,0]=4 3234 B11R0.155 CCNC(=O)C(=O)CCSCC 1458a_200011297158_100000757381 [1,1,0,0,0,0|2,0,0]=4 3235 B11R0.155 CCOC(=O)C(=O)CSCCF 62a_100000211299_100011217306 [1,1,0,0,0,0|2,0,0]=4 3236 B11R0.155 CCOC(=O)C(=O)CSCCF 62a_100011217306_100000211299 [1,1,0,0,0,0|2,0,0]=4 3237 B11R0.155 CCOC(=O)C(=O)CSCCO 62a_100000211299_100000211926 [1,1,0,0,0,0|2,0,0]=4 3238 B11R0.155 CCOC(=O)C(=O)CSCCO 62a_100000211926_100000211299 [1,1,0,0,0,0|2,0,0]=4 3239 B11R0.155 CCOC(=O)C(=O)CSCOC 62a_100000211299_100000766300 [1,1,0,0,0,0|2,0,0]=4 3240 B11R0.155 CCOC(=O)C(=O)CSCOC 62a_100000766300_100000211299 [1,1,0,0,0,0|2,0,0]=4 3241 B11R0.155 CCOC(=O)C(=O)CSCSC 62a_100000211299_100011218213 [1,1,0,0,0,0|2,0,0]=4 3242 B11R0.155 CCOC(=O)C(=O)CSCSC 62a_100011218213_100000211299 [1,1,0,0,0,0|2,0,0]=4 3243 B11R0.155 CCOC(=O)C(=O)NCCCF 11a_100015189416_100014798877 [1,1,0,0,0,0|2,0,0]=4 3244 B11R0.155 CCOC(=O)C(=O)NCCCF 1626a_100015189416_100014798877 [1,1,0,0,0,0|2,0,0]=4 3245 B11R0.155 CCOC(=O)C(=O)NCCCF 240690a_100015189416_100014798877 [1,1,0,0,0,0|2,0,0]=4 3246 B11R0.155 CCOC(=O)C(=O)NCCCO 240690a_100000182051_100014798877 [1,1,0,0,0,0|2,0,0]=4 3247 B11R0.155 CCOC(=O)C(=O)NCCOC 1626a_100000209980_100014798877 [1,1,0,0,0,0|2,0,0]=4 3248 B11R0.155 CCOC(=O)C(=O)NCCOC 240690a_100000209980_100014798877 [1,1,0,0,0,0|2,0,0]=4 3249 B11R0.155 CCOC(=O)C(=O)NCCSC 11a_100020590264_100014798877 [1,1,0,0,0,0|2,0,0]=4 3250 B11R0.155 CCOC(=O)C(=O)NCCSC 1626a_100020590264_100014798877 [1,1,0,0,0,0|2,0,0]=4 3251 B11R0.155 CCOC(=O)C(=O)NCCSC 240690a_100020590264_100014798877 [1,1,0,0,0,0|2,0,0]=4 3252 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [1,1,0,0,0,0|2,0,0]=4 3253 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [1,1,0,0,0,0|2,0,0]=4 3254 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [1,1,0,0,0,0|2,0,0]=4 3255 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [1,1,0,0,0,0|2,0,0]=4 3256 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100015525214_100020591266 [1,1,0,0,0,0|2,0,0]=4 3257 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100020591266_100015525214 [1,1,0,0,0,0|2,0,0]=4 3258 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100015525214_100020591266 [1,1,0,0,0,0|2,0,0]=4 3259 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100020591266_100015525214 [1,1,0,0,0,0|2,0,0]=4 3260 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100015525214_100020591266 [1,1,0,0,0,0|2,0,0]=4 3261 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100020591266_100015525214 [1,1,0,0,0,0|2,0,0]=4 3262 B11R0.174 CCOC(=O)/C=C/CN(C)CC 2230a_100000225621_100016267167 [1,1,0,0,0,0|1,0,0]=3 3263 B11R0.174 CCOC(=O)/C=C/CN(C)CC 269982a_100000225621_100016267167 [1,1,0,0,0,0|1,0,0]=3 3264 B11R0.174 CCOC(=O)C=NNC(C)CC 4a_100000718999_100000742314 [1,1,0,0,0,0|2,0,0]=4 3265 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [1,1,0,0,0,0|0,0,2]=4 3266 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [1,1,0,0,0,0|0,0,2]=4 3267 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [1,1,0,0,0,0|1,0,1]=4 3268 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [1,1,0,0,0,0|1,0,1]=4 3269 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [1,1,0,0,0,0|1,0,1]=4 3270 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [1,1,0,0,0,0|1,0,1]=4 3271 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [1,1,0,0,0,0|1,0,1]=4 3272 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [1,1,0,0,0,0|1,0,1]=4 3273 B11R0.174 CCOC(=O)CNCC(C)CC 2230a_100020588543_100000188475 [1,1,0,0,0,0|1,0,1]=4 3274 B11R0.174 CCOC(=O)CNCC(O)CC 2230a_100011218483_100000188475 [1,1,0,0,0,0|1,0,1]=4 3275 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [1,1,0,0,0,0|1,0,1]=4 3276 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000188475_100000748023 [1,1,0,0,0,0|1,0,1]=4 3277 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000748023_100000188475 [1,1,0,0,0,0|1,0,1]=4 3278 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100000188475_100011218378 [1,1,0,0,0,0|1,0,1]=4 3279 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100011218378_100000188475 [1,1,0,0,0,0|1,0,1]=4 3280 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100000188475_100009816398 [1,1,0,0,0,0|1,0,1]=4 3281 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000188475 [1,1,0,0,0,0|1,0,1]=4 3282 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [1,1,0,0,0,0|1,0,1]=4 3283 B11R0.174 CCOC(=O)NCCN(C)CC 269982a_100000225621_200011445536 [1,1,0,0,0,0|2,0,0]=4 3284 B11R0.174 CCOC(=O)OCSC(C)CC 62a_100000758301_100000075025 [1,1,0,0,0,0|2,0,0]=4 3285 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [1,1,0,0,0,0|1,0,1]=4 3286 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [1,1,0,0,0,0|1,0,1]=4 3287 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [1,1,0,0,0,0|2,0,0]=4 3288 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [1,1,0,0,0,0|2,0,0]=4 3289 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [1,1,0,0,0,0|2,0,0]=4 3290 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [1,1,0,0,0,0|2,0,0]=4 3291 B11R0.176 CCNC(=O)CCCCC(C)C 11a_100015525214_100011933920 [1,1,0,0,0,0|1,0,1]=4 3292 B11R0.176 CCNC(=O)CCCCC(C)C 240690a_100015525214_100011933920 [1,1,0,0,0,0|1,0,1]=4 3293 B11R0.176 CCNC(=O)CCCCC(C)C 527a_100015525214_100011933920 [1,1,0,0,0,0|1,0,1]=4 3294 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_100015525214_200000737386 [1,1,0,0,0,0|2,0,0]=4 3295 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_200000737386_100015525214 [1,1,0,0,0,0|2,0,0]=4 3296 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_100015525214_200000737386 [1,1,0,0,0,0|2,0,0]=4 3297 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_200000737386_100015525214 [1,1,0,0,0,0|2,0,0]=4 3298 B11R0.176 CCNC(=O)NCCCC(C)C 512a_100015525214_200000737386 [1,1,0,0,0,0|2,0,0]=4 3299 B11R0.176 CCNC(=O)NCCCC(C)C 512a_200000737386_100015525214 [1,1,0,0,0,0|2,0,0]=4 3300 B11R0.176 CCOC(=O)/C=C/CNC(C)C 2230a_100138425928_100016267167 [1,1,0,0,0,0|1,0,0]=3 3301 B11R0.176 CCOC(=O)/C=C/CNC(C)C 34a_100138425928_100016267167 [1,1,0,0,0,0|1,0,0]=3 3302 B11R0.176 CCOC(=O)/C=C/COC(C)C 34a_100000212225_100016267167 [1,1,0,0,0,0|1,0,0]=3 3303 B11R0.176 CCOC(=O)/C=C/CSC(C)C 62a_100000210206_100016267167 [1,1,0,0,0,0|1,0,0]=3 3304 B11R0.176 CCOC(=O)/C=C/CSC(C)C 62a_100016267167_100000210206 [1,1,0,0,0,0|1,0,0]=3 3305 B11R0.176 CCOC(=O)C=NNCC(C)O 4a_200000730056_100000742314 [1,1,0,0,0,0|2,0,0]=4 3306 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [1,1,0,0,0,0|0,0,2]=4 3307 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [1,1,0,0,0,0|0,0,2]=4 3308 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [1,1,0,0,0,0|0,0,2]=4 3309 B11R0.176 CCOC(=O)CCCCN(C)C 2230a_100102631434_100000750268 [1,1,0,0,0,0|1,0,1]=4 3310 B11R0.176 CCOC(=O)CCCCN(C)C 269982a_100102631434_100000750268 [1,1,0,0,0,0|1,0,1]=4 3311 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [1,1,0,0,0,0|1,0,1]=4 3312 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [1,1,0,0,0,0|1,0,1]=4 3313 B11R0.176 CCOC(=O)CCCOC(C)C 34a_100000212225_100009991533 [1,1,0,0,0,0|1,0,1]=4 3314 B11R0.176 CCOC(=O)CCCOC(C)C 7a_100012001163_100000210206 [1,1,0,0,0,0|1,0,1]=4 3315 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100000210206_100009991533 [1,1,0,0,0,0|1,0,1]=4 3316 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100009991533_100000210206 [1,1,0,0,0,0|1,0,1]=4 3317 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [1,1,0,0,0,0|1,0,1]=4 3318 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [1,1,0,0,0,0|1,0,1]=4 3319 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [1,1,0,0,0,0|1,0,1]=4 3320 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [1,1,0,0,0,0|1,0,1]=4 3321 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [1,1,0,0,0,0|1,0,1]=4 3322 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [1,1,0,0,0,0|1,0,1]=4 3323 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [1,1,0,0,0,0|1,0,1]=4 3324 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [1,1,0,0,0,0|1,0,1]=4 3325 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [1,1,0,0,0,0|1,0,1]=4 3326 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [1,1,0,0,0,0|1,0,1]=4 3327 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [1,1,0,0,0,0|1,0,1]=4 3328 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [1,1,0,0,0,0|1,0,1]=4 3329 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [1,1,0,0,0,0|1,0,1]=4 3330 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [1,1,0,0,0,0|1,0,1]=4 3331 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [1,1,0,0,0,0|1,0,1]=4 3332 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [1,1,0,0,0,0|1,0,1]=4 3333 B11R0.176 CCOC(=O)COCCC(C)Br 34a_100009893172_100000188475 [1,1,0,0,0,0|1,0,1]=4 3334 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [1,1,0,0,0,0|1,0,1]=4 3335 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [1,1,0,0,0,0|1,0,1]=4 3336 B11R0.176 CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000188475 [1,1,0,0,0,0|1,0,1]=4 3337 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000188475_100000210312 [1,1,0,0,0,0|1,0,1]=4 3338 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000210312_100000188475 [1,1,0,0,0,0|1,0,1]=4 3339 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [1,1,0,0,0,0|1,0,1]=4 3340 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [1,1,0,0,0,0|1,0,1]=4 3341 B11R0.176 CCOC(=O)NCCOC(C)C 34a_100000158857_100000210206 [1,1,0,0,0,0|2,0,0]=4 3342 B11R0.176 CCOC(=O)NCCSC(C)C 62a_100000210206_200011445536 [1,1,0,0,0,0|2,0,0]=4 3343 B11R0.176 CCOC(=O)OCSCC(C)C 62a_100000210624_100000075025 [1,1,0,0,0,0|2,0,0]=4 3344 B11R0.176 CCOC(=O)OCSCC(C)O 62a_100011218427_100000075025 [1,1,0,0,0,0|2,0,0]=4 3345 B11R0.176 CCOC(=O)OCSC[C@@H](C)O 62a_100009817552_100000075025 [1,1,0,0,0,0|2,0,0]=4 3346 B11R0.3 C#CCOC/C=C/CCCCC 34a_100016258190_100000184674 [1,1,0,0,0,0|0,0,2]=4 3347 B11R0.3 C#CCOC/C=C/CCCCC 7a_100016258190_100000038162 [1,1,0,0,0,0|0,0,2]=4 3348 B11R0.3 C=CCOC/C=C/CCCCC 34a_100016258190_100015514636 [1,1,0,0,0,0|0,0,2]=4 3349 B11R0.3 C=CCOC/C=C/CCCCC 7a_100016258190_100015514636 [1,1,0,0,0,0|0,0,2]=4 3350 B11R0.3 CC/C=C/C/C=C/CCOCC 34a_200016273837_100000210202 [1,1,0,0,0,0|2,0,0]=4 3351 B11R0.3 CC/C=C/C/C=C/CCOCC 7a_200016273837_100000210202 [1,1,0,0,0,0|2,0,0]=4 3352 B11R0.3 CC/C=C/CC/C=C/COCC 34a_100016264143_100000210202 [1,1,0,0,0,0|0,0,2]=4 3353 B11R0.3 CC/C=C/CC/C=C/COCC 7a_100016264143_100000210202 [1,1,0,0,0,0|0,0,2]=4 3354 B11R0.3 CCC/C=C/C=C/COCCC 34a_100016294078_100000210303 [1,1,0,0,0,0|1,0,1]=4 3355 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [1,1,0,0,0,0|1,0,1]=4 3356 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [1,1,0,0,0,0|1,0,1]=4 3357 B11R0.3 CCC=CC=NNCCCCC 4a_100000694160_100011216943 [1,1,0,0,0,0|2,0,0]=4 3358 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [1,1,0,0,0,0|1,0,1]=4 3359 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [1,1,0,0,0,0|1,0,1]=4 3360 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [1,1,0,0,0,0|1,0,1]=4 3361 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [1,1,0,0,0,0|1,0,1]=4 3362 B11R0.3 CCCC/C=C/COCCCC 34a_200016272032_100000210210 [1,1,0,0,0,0|1,0,1]=4 3363 B11R0.3 CCCC/C=C/COCCCC 7a_200016272032_100000210211 [1,1,0,0,0,0|1,0,1]=4 3364 B11R0.3 CCCC/C=C\CCOCCC 34a_200016286491_100000210303 [1,1,0,0,0,0|1,0,1]=4 3365 B11R0.3 CCCC/C=C\CCOCCC 7a_200016286491_100000210303 [1,1,0,0,0,0|1,0,1]=4 3366 B11R0.3 CCCC=CC=NNCCCC 4a_100025702795_100016266791 [1,1,0,0,0,0|2,0,0]=4 3367 B11R0.3 CCCCC/C=C/C=C/COC 34a_200014065772_200000210301 [1,1,0,0,0,0|1,0,0]=3 3368 B11R0.3 CCCCC/C=C/C=C/COC 7a_200014065772_200000210301 [1,1,0,0,0,0|1,0,0]=3 3369 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 34a_200014065772_200025704644 [1,1,0,0,0,0|1,0,0]=3 3370 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 7a_200014065772_200025704644 [1,1,0,0,0,0|1,0,0]=3 3371 B11R0.3 CCCCC/C=C/COCC#N 7a_100016258190_100011215382 [1,1,0,0,0,0|0,0,2]=4 3372 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [1,1,0,0,0,0|0,0,2]=4 3373 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [1,1,0,0,0,0|0,0,2]=4 3374 B11R0.3 CCCCC/C=C/COCCC 34a_100016258190_100000210303 [1,1,0,0,0,0|0,0,1]=3 3375 B11R0.3 CCCCC/C=C/COCCC 7a_100016258190_100000210303 [1,1,0,0,0,0|0,0,1]=3 3376 B11R0.3 CCCCC/C=C/COCCF 34a_100016258190_100011217306 [1,1,0,0,0,0|0,0,1]=3 3377 B11R0.3 CCCCC/C=C/COCCF 7a_100016258190_100011217306 [1,1,0,0,0,0|0,0,1]=3 3378 B11R0.3 CCCCC/C=C/COCCO 34a_100016258190_100000211926 [1,1,0,0,0,0|0,0,1]=3 3379 B11R0.3 CCCCC/C=C/COCCO 7a_100016258190_100000211926 [1,1,0,0,0,0|0,0,1]=3 3380 B11R0.3 CCCCC/C=C/COCSC 34a_100016258190_100011218213 [1,1,0,0,0,0|0,0,1]=3 3381 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [1,1,0,0,0,0|1,0,1]=4 3382 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [1,1,0,0,0,0|1,0,1]=4 3383 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [1,1,0,0,0,0|1,0,1]=4 3384 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [1,1,0,0,0,0|1,0,1]=4 3385 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [1,1,0,0,0,0|0,0,1]=3 3386 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [1,1,0,0,0,0|0,0,1]=3 3387 B11R0.3 CCCCC/C=C\CCOCF 34a_100016277358_100015361967 [1,1,0,0,0,0|1,0,1]=4 3388 B11R0.3 CCCCC/C=C\CCOCF 7a_100016277358_100015361967 [1,1,0,0,0,0|1,0,1]=4 3389 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [1,1,0,0,0,0|0,0,1]=3 3390 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [1,1,0,0,0,0|0,0,1]=3 3391 B11R0.3 CCCCCC/C=C/COCF 34a_200016276170_100015361967 [1,1,0,0,0,0|1,0,1]=4 3392 B11R0.3 CCCCCC/C=C/COCF 7a_200016276170_100015361967 [1,1,0,0,0,0|1,0,1]=4 3393 B11R0.3 CCCCCC=CC=NNCC 4a_100000756455_100016268540 [1,1,0,0,0,0|1,0,0]=3 3394 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [1,1,0,0,0,0|1,0,1]=4 3395 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [1,1,0,0,0,0|1,0,1]=4 3396 B11R0.140 C#CCCCC(=O)C=COCC 1458a_100016266692_100000731252 [1,1,0,0,0,0|0,0,2]=4 3397 B11R0.140 C/C=C/C=CC(=O)CCCCC 1458a_100000185730_100000210326 [1,1,0,0,0,0|1,0,1]=4 3398 B11R0.140 C=CCCCC(=O)C=COCC 1458a_100016266692_100000757094 [1,1,0,0,0,0|0,0,2]=4 3399 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [1,1,0,0,0,0|1,0,1]=4 3400 B11R0.140 CC/C=C\CC(=O)C=COCC 1458a_100016266692_100103147603 [1,1,0,0,0,0|0,0,2]=4 3401 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [1,1,0,0,0,0|1,0,1]=4 3402 B11R0.140 CCC#CCC(=O)C=COCC 1458a_100016266692_100009813939 [1,1,0,0,0,0|0,0,2]=4 3403 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [1,1,0,0,0,0|1,0,0]=3 3404 B11R0.140 CCCC=CC(=O)CCCCF 1458a_100000212230_100000729493 [1,1,0,0,0,0|2,0,0]=4 3405 B11R0.140 CCCC=CC(=O)CCCCO 1458a_100000212230_100000210776 [1,1,0,0,0,0|2,0,0]=4 3406 B11R0.140 CCCC=CC(=O)CCCOC 1458a_100000212230_100000740836 [1,1,0,0,0,0|2,0,0]=4 3407 B11R0.140 CCCC=CC(=O)CCOCC 1458a_100000212230_100011215890 [1,1,0,0,0,0|2,0,0]=4 3408 B11R0.140 CCCC=CC(=O)CCSCC 1458a_100000212230_100000757381 [1,1,0,0,0,0|2,0,0]=4 3409 B11R0.140 CCCC=CC(=O)NCCCC 11a_100000102301_100000212230 [1,1,0,0,0,0|2,0,0]=4 3410 B11R0.140 CCCC=CC(=O)NCCCC 1626a_100000102301_100000212230 [1,1,0,0,0,0|2,0,0]=4 3411 B11R0.140 CCCC=CC(=O)NCCCC 240690a_100000102301_100000212230 [1,1,0,0,0,0|2,0,0]=4 3412 B11R0.140 CCCCCC(=O)C=CCOC 1458a_100016285016_100000210326 [1,1,0,0,0,0|2,0,0]=4 3413 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [1,1,0,0,0,0|0,0,0]=2 3414 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [1,1,0,0,0,0|0,0,2]=4 3415 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [1,1,0,0,0,0|0,0,2]=4 3416 B11R0.140 CCCCNC(=O)C=COCC 11a_100000102301_100016266692 [1,1,0,0,0,0|1,0,0]=3 3417 B11R0.140 CCCCNC(=O)C=COCC 1626a_100000102301_100016266692 [1,1,0,0,0,0|1,0,0]=3 3418 B11R0.140 CCCCNC(=O)C=COCC 240690a_100000102301_100016266692 [1,1,0,0,0,0|1,0,0]=3 3419 B11R0.140 CCCNNC(=O)C=COCC 22a_100000740057_100016266692 [1,1,0,0,0,0|2,0,0]=4 3420 B11R0.140 CCOC=CC(=O)CCCC#N 1458a_100016266692_100000211468 [1,1,0,0,0,0|1,0,1]=4 3421 B11R0.140 CCOC=CC(=O)CCCCF 1458a_100016266692_100000729493 [1,1,0,0,0,0|1,0,0]=3 3422 B11R0.140 CCOC=CC(=O)CCCCO 1458a_100016266692_100000210776 [1,1,0,0,0,0|1,0,0]=3 3423 B11R0.140 CCOC=CC(=O)CCCOC 1458a_100016266692_100000740836 [1,1,0,0,0,0|1,0,0]=3 3424 B11R0.140 CCOC=CC(=O)CCOCC 1458a_100016266692_100011215890 [1,1,0,0,0,0|1,0,0]=3 3425 B11R0.140 CCOC=CC(=O)CCSCC 1458a_100016266692_100000757381 [1,1,0,0,0,0|1,0,0]=3 3426 B11R0.140 CCOC=CC(=O)NCCCF 11a_100015189416_100016266692 [1,1,0,0,0,0|2,0,0]=4 3427 B11R0.140 CCOC=CC(=O)NCCCF 1626a_100015189416_100016266692 [1,1,0,0,0,0|2,0,0]=4 3428 B11R0.140 CCOC=CC(=O)NCCCF 240690a_100015189416_100016266692 [1,1,0,0,0,0|2,0,0]=4 3429 B11R0.140 CCOC=CC(=O)NCCCO 240690a_100000182051_100016266692 [1,1,0,0,0,0|2,0,0]=4 3430 B11R0.140 CCOC=CC(=O)NCCOC 1626a_100000209980_100016266692 [1,1,0,0,0,0|2,0,0]=4 3431 B11R0.140 CCOC=CC(=O)NCCOC 240690a_100000209980_100016266692 [1,1,0,0,0,0|2,0,0]=4 3432 B11R0.140 CCOC=CC(=O)NCCSC 11a_100020590264_100016266692 [1,1,0,0,0,0|2,0,0]=4 3433 B11R0.140 CCOC=CC(=O)NCCSC 1626a_100020590264_100016266692 [1,1,0,0,0,0|2,0,0]=4 3434 B11R0.140 CCOC=CC(=O)NCCSC 240690a_100020590264_100016266692 [1,1,0,0,0,0|2,0,0]=4 3435 B11R0.148 CCCCC/C=C/COC(C)C 34a_100016258190_100000210206 [1,1,0,0,0,0|0,0,1]=3 3436 B11R0.148 CCCCC/C=C/COC(C)C 7a_100016258190_100000210206 [1,1,0,0,0,0|0,0,1]=3 3437 B11R0.42 CCC/C=C/C=CC(=O)C(C)C 1458a_200016258893_100000210206 [1,1,0,0,0,0|0,0,2]=4 3438 B11R0.42 CCCC/C=C/CC(=O)C(C)C 1458a_200016282684_100000210206 [1,1,0,0,0,0|0,0,2]=4 3439 B11R0.42 CCCCCC#CC(=O)C(C)C 1458a_100011215388_100000210206 [1,1,0,0,0,0|0,0,2]=4 3440 B11R0.42 CCCCCC=CC(=O)C(C)C 1458a_100016263427_100000210206 [1,1,0,0,0,0|0,0,0]=2 3441 B11R0.42 CCCCCC=CC(=O)N(C)C 11a_100102631434_100016263427 [1,1,0,0,0,0|1,0,0]=3 3442 B11R0.42 CCCCCC=CC(=O)N(C)C 1626a_100102631434_100016263427 [1,1,0,0,0,0|1,0,0]=3 3443 B11R0.42 CCCCCC=CC(=O)N(C)C 240690a_100102631434_100016263427 [1,1,0,0,0,0|1,0,0]=3 3444 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [1,1,0,0,0,0|0,0,2]=4 3445 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [1,1,0,0,0,0|0,0,2]=4 3446 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [1,1,0,0,0,0|0,0,2]=4 3447 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [1,1,0,0,0,0|0,0,2]=4 3448 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [1,1,0,0,0,0|0,0,2]=4 3449 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [1,1,0,0,0,0|1,0,1]=4 3450 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [1,1,0,0,0,0|1,0,1]=4 3451 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [1,1,0,0,0,0|1,0,1]=4 3452 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [1,1,0,0,0,0|1,0,1]=4 3453 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [1,1,0,0,0,0|1,0,1]=4 3454 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [1,1,0,0,0,0|1,0,1]=4 3455 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [1,1,0,0,0,0|1,0,1]=4 3456 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [1,1,0,0,0,0|1,0,1]=4 3457 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [1,1,0,0,0,0|1,0,1]=4 3458 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [1,1,0,0,0,0|1,0,1]=4 3459 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [1,1,0,0,0,0|1,0,1]=4 3460 B11R0.42 CCCCCNCC(=O)C(C)C 2230a_100000209983_100000753385 [1,1,0,0,0,0|1,0,1]=4 3461 B11R0.42 CCCCCNNC(=O)C(C)C 22a_100000694160_100000210198 [1,1,0,0,0,0|2,0,0]=4 3462 B11R0.42 CCCCCNNC(=O)C(C)F 22a_100000694160_100000062450 [1,1,0,0,0,0|2,0,0]=4 3463 B11R0.42 CCCCCNNC(=O)[C@@H](C)O 22a_100000694160_100000717761 [1,1,0,0,0,0|2,0,0]=4 3464 B11R0.42 CCCCCNNC(=O)[C@H](C)O 22a_100000694160_217856618621 [1,1,0,0,0,0|2,0,0]=4 3465 B11R0.42 CCCCCOCC(=O)C(C)C 34a_100000210253_100000753385 [1,1,0,0,0,0|1,0,1]=4 3466 B11R0.42 CCCCCOCC(=O)C(C)C 7a_100000210253_100000753385 [1,1,0,0,0,0|1,0,1]=4 3467 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000210326_100000753385 [1,1,0,0,0,0|1,0,1]=4 3468 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000753385_100000210326 [1,1,0,0,0,0|1,0,1]=4 3469 B11R0.70 CCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210211 [1,1,0,0,0,0|1,0,1]=4 3470 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [1,1,0,0,0,0|0,0,2]=4 3471 B11R0.70 CCCCC(C)NCC(=O)OC 2230a_100000126638_100000747449 [1,1,0,0,0,0|1,0,1]=4 3472 B11R0.70 CCCCC(C)OCC(=O)CC 34a_100000725409_200011215066 [1,1,0,0,0,0|1,0,1]=4 3473 B11R0.70 CCCCC(C)OCC(=O)CC 7a_100000687866_100000747405 [1,1,0,0,0,0|1,0,1]=4 3474 B11R0.70 CCCCC(C)OCC(=O)OC 34a_100000687866_100000747449 [1,1,0,0,0,0|1,0,1]=4 3475 B11R0.70 CCCCC(C)OCC(=O)OC 7a_100000687866_100000747449 [1,1,0,0,0,0|1,0,1]=4 3476 B11R0.70 CCCCC(C)SCC(=O)CC 62a_100000747405_200011215066 [1,1,0,0,0,0|1,0,1]=4 3477 B11R0.70 CCCCC(C)SCC(=O)CC 62a_200011215066_100000747405 [1,1,0,0,0,0|1,0,1]=4 3478 B11R0.70 CCCCC(C)SCC(=O)OC 62a_100000747449_200011215066 [1,1,0,0,0,0|1,0,1]=4 3479 B11R0.70 CCCCC(C)SCC(=O)OC 62a_200011215066_100000747449 [1,1,0,0,0,0|1,0,1]=4 3480 B11R0.70 CCCNC(=O)C=CC(=O)OC 1626a_100020643023_100016283253 [1,1,0,0,0,0|1,0,1]=4 3481 B11R0.106 CCC(=O)COCCC(C)CC 7a_100011215188_100000747405 [1,1,0,0,0,0|1,0,1]=4 3482 B11R0.106 CCC(C)CCNCC(=O)OC 2230a_100020591266_100000747449 [1,1,0,0,0,0|1,0,1]=4 3483 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [1,1,0,0,0,0|1,0,1]=4 3484 B11R0.106 CCC(C)NC/C=C/C(=O)OC 2230a_100000209981_100000742655 [1,1,0,0,0,0|1,0,0]=3 3485 B11R0.106 CCC(C)OC/C=C/C(=O)OC 7a_100000210228_100000742655 [1,1,0,0,0,0|1,0,0]=3 3486 B11R0.106 CCC(C)SC/C=C/C(=O)OC 62a_100000742655_100000758301 [1,1,0,0,0,0|1,0,0]=3 3487 B11R0.106 CCC(C)SC/C=C/C(=O)OC 62a_100000758301_100000742655 [1,1,0,0,0,0|1,0,0]=3 3488 B11R0.106 CCC(O)CNN=CC(=O)OC 4a_100015206393_200011823558 [1,1,0,0,0,0|2,0,0]=4 3489 B11R0.106 COC(=O)/C=C/CN[C@H](C)CO 2230a_100000737577_100000742655 [1,1,0,0,0,0|2,0,0]=4 3490 B11R0.106 COC(=O)/C=C/COC(C)CF 34a_100016041109_100000742655 [1,1,0,0,0,0|2,0,0]=4 3491 B11R0.106 COC(=O)/C=C/COC(C)CF 7a_100016041109_100000742655 [1,1,0,0,0,0|2,0,0]=4 3492 B11R0.106 COC(=O)/C=C/COC(C)CN 34a_100000210904_100000742655 [1,1,0,0,0,0|2,0,0]=4 3493 B11R0.106 COC(=O)/C=C/CSC(C)CO 62a_100012180447_100000742655 [1,1,0,0,0,0|2,0,0]=4 3494 B11R0.106 COC(=O)/C=C/CSC(C)OC 62a_100000742655_100009879195 [1,1,0,0,0,0|2,0,0]=4 3495 B11R0.106 COC(=O)/C=C/CSC(C)OC 62a_100009879195_100000742655 [1,1,0,0,0,0|2,0,0]=4 3496 B11R0.106 COC(=O)/C=C/CS[C@H](C)CO 62a_100000742655_100016084084 [1,1,0,0,0,0|2,0,0]=4 3497 B11R0.106 COC(=O)/C=C/CS[C@H](C)CO 62a_100016084084_100000742655 [1,1,0,0,0,0|2,0,0]=4 3498 B11R0.111 C=C(C)COC/C=C/C(=O)OC 34a_100000210245_100000742655 [1,1,0,0,0,0|1,0,1]=4 3499 B11R0.111 C=C(C)CSC/C=C/C(=O)OC 62a_100000742655_100000211660 [1,1,0,0,0,0|1,0,1]=4 3500 B11R0.111 C=C(C)CSC/C=C/C(=O)OC 62a_100000748629_100000742655 [1,1,0,0,0,0|1,0,1]=4 3501 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [1,1,0,0,0,0|0,0,2]=4 3502 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [1,1,0,0,0,0|0,0,2]=4 3503 B11R0.111 CCC(=O)COCCCC(C)C 34a_100000725409_100011214892 [1,1,0,0,0,0|1,0,1]=4 3504 B11R0.111 CCC(=O)COCCCC(C)C 7a_100000210774_100000747405 [1,1,0,0,0,0|1,0,1]=4 3505 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [1,1,0,0,0,0|1,0,1]=4 3506 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100000747405_100011214892 [1,1,0,0,0,0|1,0,1]=4 3507 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100011214892_100000747405 [1,1,0,0,0,0|1,0,1]=4 3508 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [1,1,0,0,0,0|1,0,1]=4 3509 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [1,1,0,0,0,0|1,0,1]=4 3510 B11R0.111 COC(=O)/C=C/CNCC(C)C 2230a_100000210953_100000742655 [1,1,0,0,0,0|1,0,0]=3 3511 B11R0.111 COC(=O)/C=C/CNCC(C)C 34a_100000210953_100000742655 [1,1,0,0,0,0|1,0,0]=3 3512 B11R0.111 COC(=O)/C=C/CNCC(C)O 2230a_100000210904_100000742655 [1,1,0,0,0,0|1,0,0]=3 3513 B11R0.111 COC(=O)/C=C/CNCC(C)O 34a_100000210904_100000742655 [1,1,0,0,0,0|1,0,0]=3 3514 B11R0.111 COC(=O)/C=C/CNCC(F)F 34a_100000765723_100000742655 [1,1,0,0,0,0|2,0,0]=4 3515 B11R0.111 COC(=O)/C=C/COCC(=O)C 34a_100000211253_100000742655 [1,1,0,0,0,0|1,0,1]=4 3516 B11R0.111 COC(=O)/C=C/COCC(C)Br 34a_100012180447_100000742655 [1,1,0,0,0,0|1,0,0]=3 3517 B11R0.111 COC(=O)/C=C/COCC(C)C 34a_100000210257_100000742655 [1,1,0,0,0,0|1,0,0]=3 3518 B11R0.111 COC(=O)/C=C/COCC(C)F 34a_100015925927_100000742655 [1,1,0,0,0,0|1,0,0]=3 3519 B11R0.111 COC(=O)/C=C/COCC(F)F 34a_100000743014_100000742655 [1,1,0,0,0,0|2,0,0]=4 3520 B11R0.111 COC(=O)/C=C/COC[C@@H](C)Cl 34a_100016084084_100000742655 [1,1,0,0,0,0|1,0,0]=3 3521 B11R0.111 COC(=O)/C=C/COC[C@@H](C)N 34a_100000737577_100000742655 [1,1,0,0,0,0|1,0,0]=3 3522 B11R0.111 COC(=O)/C=C/CSCC(C)C 62a_100000210624_100000742655 [1,1,0,0,0,0|1,0,0]=3 3523 B11R0.111 COC(=O)/C=C/CSCC(C)C 62a_100000742655_100000210760 [1,1,0,0,0,0|1,0,0]=3 3524 B11R0.111 COC(=O)/C=C/CSCC(C)O 62a_100000742655_100011218427 [1,1,0,0,0,0|1,0,0]=3 3525 B11R0.111 COC(=O)/C=C/CSCC(C)O 62a_100011218427_100000742655 [1,1,0,0,0,0|1,0,0]=3 3526 B11R0.111 COC(=O)/C=C/CSCC(F)F 62a_100000742655_100011934356 [1,1,0,0,0,0|2,0,0]=4 3527 B11R0.111 COC(=O)/C=C/CSCC(F)F 62a_100011934356_100000742655 [1,1,0,0,0,0|2,0,0]=4 3528 B11R0.111 COC(=O)/C=C/CSC[C@@H](C)O 62a_100000742655_100009817552 [1,1,0,0,0,0|1,0,0]=3 3529 B11R0.111 COC(=O)/C=C/CSC[C@@H](C)O 62a_100009817552_100000742655 [1,1,0,0,0,0|1,0,0]=3 3530 B11R0.111 COC(=O)CNCCCC(C)C 2230a_200000737386_100000747449 [1,1,0,0,0,0|1,0,1]=4 3531 B11R0.111 COC(=O)CNCCCC(C)C 34a_200000737386_100000747449 [1,1,0,0,0,0|1,0,1]=4 3532 B11R0.111 COC(=O)COCCCC(C)C 34a_100000210774_100000747449 [1,1,0,0,0,0|1,0,1]=4 3533 B11R0.111 COC(=O)COCCCC(C)C 7a_100000210774_100000747449 [1,1,0,0,0,0|1,0,1]=4 3534 B11R0.111 COC(=O)CSCCCC(C)C 62a_100000747449_100011214892 [1,1,0,0,0,0|1,0,1]=4 3535 B11R0.111 COC(=O)CSCCCC(C)C 62a_100011214892_100000747449 [1,1,0,0,0,0|1,0,1]=4 3536 B11R0.111 COC(=O)CSCCCC(C)O 62a_100000747449_200000718107 [1,1,0,0,0,0|1,0,1]=4 3537 B11R0.111 COC(=O)CSCCCC(C)O 62a_200000718107_100000747449 [1,1,0,0,0,0|1,0,1]=4 3538 B11R0.154 CCC(=CC(=O)CCCCF)C 1458a_100020758463_100000729493 [1,1,0,0,0,0|2,0,0]=4 3539 B11R0.154 CCC(=CC(=O)CCCCO)C 1458a_100020758463_100000210776 [1,1,0,0,0,0|2,0,0]=4 3540 B11R0.154 CCC(=CC(=O)CCCOC)C 1458a_100020758463_100000740836 [1,1,0,0,0,0|2,0,0]=4 3541 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [1,1,0,0,0,0|1,0,1]=4 3542 B11R0.154 CCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747405 [1,1,0,0,0,0|1,0,1]=4 3543 B11R0.154 CCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747405 [1,1,0,0,0,0|1,0,1]=4 3544 B11R0.154 CCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210326 [1,1,0,0,0,0|1,0,0]=3 3545 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [1,1,0,0,0,0|0,0,1]=3 3546 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [1,1,0,0,0,0|0,0,1]=3 3547 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [1,1,0,0,0,0|1,0,1]=4 3548 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [1,1,0,0,0,0|1,0,1]=4 3549 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [1,1,0,0,0,0|0,0,1]=3 3550 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [1,1,0,0,0,0|0,0,1]=3 3551 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [1,1,0,0,0,0|1,0,1]=4 3552 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [1,1,0,0,0,0|1,0,1]=4 3553 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [1,1,0,0,0,0|1,0,1]=4 3554 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [1,1,0,0,0,0|1,0,1]=4 3555 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [1,1,0,0,0,0|1,0,1]=4 3556 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [1,1,0,0,0,0|1,0,1]=4 3557 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [1,1,0,0,0,0|1,0,1]=4 3558 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [1,1,0,0,0,0|1,0,1]=4 3559 B11R0.154 CCCCNC(=O)C=C(C)CC 11a_100000102301_100020758463 [1,1,0,0,0,0|2,0,0]=4 3560 B11R0.154 CCCCNC(=O)C=C(C)CC 1626a_100000102301_100020758463 [1,1,0,0,0,0|2,0,0]=4 3561 B11R0.154 CCCCNC(=O)C=C(C)CC 240690a_100000102301_100020758463 [1,1,0,0,0,0|2,0,0]=4 3562 B11R0.154 CCCCNC(=O)CC(=O)CC 1458a_100000210414_100000182744 [1,1,0,0,0,0|1,0,1]=4 3563 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [1,1,0,0,0,0|1,0,1]=4 3564 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [1,1,0,0,0,0|1,0,1]=4 3565 B11R0.154 CCCOCC(=O)CC(=O)CC 1458a_100000745993_100000747405 [1,1,0,0,0,0|1,0,1]=4 3566 B11R0.154 CCCOCC(=O)CC(=O)OC 1458a_100000745993_100000747449 [1,1,0,0,0,0|1,0,1]=4 3567 B11R0.154 CCCSCC(=O)CC(=O)CC 1458a_100000217233_100000747405 [1,1,0,0,0,0|1,0,1]=4 3568 B11R0.154 CCCSCC(=O)CC(=O)OC 1458a_100000217233_100000747449 [1,1,0,0,0,0|1,0,1]=4 3569 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210303_100000210525 [1,1,0,0,0,0|1,0,1]=4 3570 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210525_100000210303 [1,1,0,0,0,0|1,0,1]=4 3571 B11R0.154 CCCSCC(=O)NC(=O)OC 62a_100000210303_100000010850 [1,1,0,0,0,0|2,0,0]=4 3572 B11R0.154 CCOCCC(=O)C=C(C)CC 1458a_100020758463_100011215890 [1,1,0,0,0,0|2,0,0]=4 3573 B11R0.154 CCOCCC(=O)CC(=O)CC 1458a_100000749530_100000747405 [1,1,0,0,0,0|1,0,1]=4 3574 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215890 [1,1,0,0,0,0|1,0,1]=4 3575 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000749530_100000747449 [1,1,0,0,0,0|1,0,1]=4 3576 B11R0.154 CCSCCC(=O)C=C(C)CC 1458a_100020758463_100000757381 [1,1,0,0,0,0|2,0,0]=4 3577 B11R0.154 CCSCCC(=O)CC(=O)CC 1458a_100000230768_100000747405 [1,1,0,0,0,0|1,0,1]=4 3578 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000211351_100000757381 [1,1,0,0,0,0|1,0,1]=4 3579 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000230768_100000747449 [1,1,0,0,0,0|1,0,1]=4 3580 B11R0.154 COC(=O)CC(=O)CCCCF 1458a_100000211351_100000729493 [1,1,0,0,0,0|1,0,1]=4 3581 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [1,1,0,0,0,0|1,0,1]=4 3582 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [1,1,0,0,0,0|1,0,1]=4 3583 B11R0.154 COC(=O)CC(=O)CCCSC 1458a_100000173376_100000747449 [1,1,0,0,0,0|1,0,1]=4 3584 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [1,1,0,0,0,0|1,0,1]=4 3585 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [1,1,0,0,0,0|1,0,1]=4 3586 B13R0.2 C#CCCCCCOCC(=O)OCC 34a_100000766912_100000188475 [0,2,0,0,0,0|1,0,1]=4 3587 B13R0.2 C#CCCCCCOCC(=O)OCC 7a_100000766912_100000188475 [0,2,0,0,0,0|1,0,1]=4 3588 B13R0.2 C#CCCCCCSCC(=O)OCC 62a_100000188475_100012094781 [0,2,0,0,0,0|1,0,1]=4 3589 B13R0.2 C#CCCCCCSCC(=O)OCC 62a_100012094781_100000188475 [0,2,0,0,0,0|1,0,1]=4 3590 B13R0.2 C#CCCCNC/C=C/C(=O)OCC 34a_100000718082_100016267167 [0,2,0,0,0,0|0,0,1]=3 3591 B13R0.2 C#CCCCOC/C=C/C(=O)OCC 34a_100000215630_100016267167 [0,2,0,0,0,0|0,0,1]=3 3592 B13R0.2 C#CCCCOC/C=C/C(=O)OCC 7a_100000215630_100016267167 [0,2,0,0,0,0|0,0,1]=3 3593 B13R0.2 C#CCCCSC/C=C/C(=O)OCC 62a_100011215417_100016267167 [0,2,0,0,0,0|0,0,1]=3 3594 B13R0.2 C#CCCCSC/C=C/C(=O)OCC 62a_100016267167_100011215417 [0,2,0,0,0,0|0,0,1]=3 3595 B13R0.2 C/C=C/CCOC/C=C/C(=O)OCC 34a_100016278192_100016267167 [0,2,0,0,0,0|0,0,1]=3 3596 B13R0.2 C=CCCCCCOCC(=O)OCC 34a_100011216702_100000188475 [0,2,0,0,0,0|1,0,1]=4 3597 B13R0.2 C=CCCCCCOCC(=O)OCC 7a_100011216702_100000188475 [0,2,0,0,0,0|1,0,1]=4 3598 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000188475_100000700193 [0,2,0,0,0,0|1,0,1]=4 3599 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000700193_100000188475 [0,2,0,0,0,0|1,0,1]=4 3600 B13R0.2 C=CCCCNC/C=C/C(=O)OCC 2230a_100000700776_100016267167 [0,2,0,0,0,0|0,0,1]=3 3601 B13R0.2 C=CCCCNC/C=C/C(=O)OCC 34a_100000700776_100016267167 [0,2,0,0,0,0|0,0,1]=3 3602 B13R0.2 C=CCCCOC/C=C/C(=O)OCC 34a_100000758997_100016267167 [0,2,0,0,0,0|0,0,1]=3 3603 B13R0.2 C=CCCCOC/C=C/C(=O)OCC 7a_100000758997_100016267167 [0,2,0,0,0,0|0,0,1]=3 3604 B13R0.2 C=CCCCSC/C=C/C(=O)OCC 62a_100011713584_100016267167 [0,2,0,0,0,0|0,0,1]=3 3605 B13R0.2 C=CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000757094 [0,2,0,0,0,0|0,0,1]=3 3606 B13R0.2 C=COCCOC/C=C/C(=O)OCC 34a_100000033082_100016267167 [0,2,0,0,0,0|0,0,2]=4 3607 B13R0.2 C=COCCSC/C=C/C(=O)OCC 62a_100000039644_100016267167 [0,2,0,0,0,0|0,0,2]=4 3608 B13R0.2 C=COCCSC/C=C/C(=O)OCC 62a_100016267167_100000039644 [0,2,0,0,0,0|0,0,2]=4 3609 B13R0.2 CC#CCCOC/C=C/C(=O)OCC 34a_100000750427_100016267167 [0,2,0,0,0,0|0,0,1]=3 3610 B13R0.2 CC/C=C/CCCOCC(=O)OCC 34a_100016287902_100000188475 [0,2,0,0,0,0|1,0,1]=4 3611 B13R0.2 CC/C=C/CCCOCC(=O)OCC 7a_100016287902_100000188475 [0,2,0,0,0,0|1,0,1]=4 3612 B13R0.2 CC/C=C\COC/C=C/C(=O)OCC 34a_100016268518_100016267167 [0,2,0,0,0,0|0,0,1]=3 3613 B13R0.2 CC/C=C\CSC/C=C/C(=O)OCC 62a_100016267167_100103147603 [0,2,0,0,0,0|0,0,1]=3 3614 B13R0.2 CC/C=C\CSC/C=C/C(=O)OCC 62a_100103147603_100016267167 [0,2,0,0,0,0|0,0,1]=3 3615 B13R0.2 CCC#CCOC/C=C/C(=O)OCC 34a_100000032950_100016267167 [0,2,0,0,0,0|0,0,1]=3 3616 B13R0.2 CCC#CCSC/C=C/C(=O)OCC 62a_100009813939_100016267167 [0,2,0,0,0,0|0,0,1]=3 3617 B13R0.2 CCC#CCSC/C=C/C(=O)OCC 62a_100016267167_100009813939 [0,2,0,0,0,0|0,0,1]=3 3618 B13R0.2 CCCC#CCCOCC(=O)OCC 34a_100000042726_100000188475 [0,2,0,0,0,0|1,0,1]=4 3619 B13R0.2 CCCC#CCCOCC(=O)OCC 7a_100000042726_100000188475 [0,2,0,0,0,0|1,0,1]=4 3620 B13R0.2 CCCC/C=C/COCC(=O)OCC 34a_200016272032_100000188475 [0,2,0,0,0,0|0,0,2]=4 3621 B13R0.2 CCCC/C=C/COCC(=O)OCC 7a_200016272032_100000188475 [0,2,0,0,0,0|0,0,2]=4 3622 B13R0.2 CCCCC#CCOCC(=O)OCC 34a_200000034558_100000188475 [0,2,0,0,0,0|1,0,1]=4 3623 B13R0.2 CCCCC#CCOCC(=O)OCC 7a_200000034558_100000188475 [0,2,0,0,0,0|1,0,1]=4 3624 B13R0.2 CCCCC/C=C/CCC(=O)CCC 1458a_200015255902_100000210303 [0,2,0,0,0,0|1,0,0]=3 3625 B13R0.2 CCCCC/C=C/CCC(=O)CCF 1458a_200015255902_100011217306 [0,2,0,0,0,0|2,0,0]=4 3626 B13R0.2 CCCCC/C=C/CCC(=O)CCO 1458a_200015255902_100000211926 [0,2,0,0,0,0|2,0,0]=4 3627 B13R0.2 CCCCC/C=C/CCC(=O)NCC 11a_100015525214_200015255902 [0,2,0,0,0,0|1,0,0]=3 3628 B13R0.2 CCCCC/C=C/CCC(=O)NCC 240690a_100015525214_200015255902 [0,2,0,0,0,0|1,0,0]=3 3629 B13R0.2 CCCCC/C=C/CCC(=O)NCC 527a_100015525214_200015255902 [0,2,0,0,0,0|1,0,0]=3 3630 B13R0.2 CCCCC/C=C/CCC(=O)NNC 22a_100016993582_200015255902 [0,2,0,0,0,0|2,0,0]=4 3631 B13R0.2 CCCCC=CC=NNC(=O)CCC 4a_100000189770_100016268198 [0,2,0,0,0,0|1,0,1]=4 3632 B13R0.2 CCCCCC/C=C/CC(=O)CCC 1458a_100020681715_100000210303 [0,2,0,0,0,0|1,0,0]=3 3633 B13R0.2 CCCCCC/C=C/CC(=O)CCF 1458a_100020681715_100011217306 [0,2,0,0,0,0|2,0,0]=4 3634 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,2,0,0,0,0|2,0,0]=4 3635 B13R0.2 CCCCCC/C=C/CC(=O)NCC 11a_100015525214_100020681715 [0,2,0,0,0,0|1,0,0]=3 3636 B13R0.2 CCCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020681715 [0,2,0,0,0,0|1,0,0]=3 3637 B13R0.2 CCCCCC/C=C/CC(=O)NNC 22a_100016993582_100020681715 [0,2,0,0,0,0|2,0,0]=4 3638 B13R0.2 CCCCCCC=NNC(=O)CCC 4a_100000189770_100000234349 [0,2,0,0,0,0|1,0,1]=4 3639 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,2,0,0,0,0|1,0,0]=3 3640 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,2,0,0,0,0|2,0,0]=4 3641 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,2,0,0,0,0|2,0,0]=4 3642 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,2,0,0,0,0|1,0,0]=3 3643 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,2,0,0,0,0|1,0,0]=3 3644 B13R0.2 CCCCCCCC=CC(=O)NNC 22a_100016993582_200015332781 [0,2,0,0,0,0|2,0,0]=4 3645 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,2,0,0,0,0|0,0,2]=4 3646 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,2,0,0,0,0|0,0,2]=4 3647 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,2,0,0,0,0|0,0,2]=4 3648 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,2,0,0,0,0|0,0,2]=4 3649 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,2,0,0,0,0|0,0,2]=4 3650 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,2,0,0,0,0|0,0,2]=4 3651 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,2,0,0,0,0|0,0,2]=4 3652 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,2,0,0,0,0|0,0,2]=4 3653 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,2,0,0,0,0|0,0,2]=4 3654 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,2,0,0,0,0|0,0,2]=4 3655 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,2,0,0,0,0|0,0,2]=4 3656 B13R0.2 CCCCCNC/C=C/C(=O)OCC 2230a_100000209983_100016267167 [0,2,0,0,0,0|0,0,0]=2 3657 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,2,0,0,0,0|0,0,2]=4 3658 B13R0.2 CCCCCNN=C[CH-]C(=O)OCC 4a_100000694160_100010622808 [0,2,0,0,0,0|0,0,1]=3 3659 B13R0.2 CCCCCOC/C=C/C(=O)OCC 34a_100000210253_100016267167 [0,2,0,0,0,0|0,0,0]=2 3660 B13R0.2 CCCCCOC/C=C/C(=O)OCC 7a_100000210253_100016267167 [0,2,0,0,0,0|0,0,0]=2 3661 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,2,0,0,0,0|0,0,2]=4 3662 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,2,0,0,0,0|0,0,2]=4 3663 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,2,0,0,0,0|0,0,2]=4 3664 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,2,0,0,0,0|0,0,2]=4 3665 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,2,0,0,0,0|0,0,2]=4 3666 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100000210326_100016267167 [0,2,0,0,0,0|0,0,0]=2 3667 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210326 [0,2,0,0,0,0|0,0,0]=2 3668 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,2,0,0,0,0|0,0,2]=4 3669 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,2,0,0,0,0|0,0,2]=4 3670 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,2,0,0,0,0|0,0,2]=4 3671 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,2,0,0,0,0|0,0,2]=4 3672 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,2,0,0,0,0|0,0,2]=4 3673 B13R0.2 CCCCNCCOCC(=O)OCC 2230a_100000102301_100000088970 [0,2,0,0,0,0|0,0,2]=4 3674 B13R0.2 CCCCNCCOCC(=O)OCC 7a_106832991798_100000088970 [0,2,0,0,0,0|0,0,2]=4 3675 B13R0.2 CCCCNN=CC=CC(=O)OCC 4a_100025702795_100016289910 [0,2,0,0,0,0|0,0,1]=3 3676 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,2,0,0,0,0|0,0,2]=4 3677 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,2,0,0,0,0|0,0,2]=4 3678 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210227_100000088970 [0,2,0,0,0,0|0,0,2]=4 3679 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210238_100000188475 [0,2,0,0,0,0|0,0,2]=4 3680 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210227_100000088970 [0,2,0,0,0,0|0,0,2]=4 3681 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210238_100000188475 [0,2,0,0,0,0|0,0,2]=4 3682 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000188475_100000743108 [0,2,0,0,0,0|0,0,2]=4 3683 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000743108_100000188475 [0,2,0,0,0,0|0,0,2]=4 3684 B13R0.2 CCCCOCCSCC(=O)OCC 7a_200000230590_100000210211 [0,2,0,0,0,0|0,0,2]=4 3685 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100000765890_100011995733 [0,2,0,0,0,0|0,0,2]=4 3686 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100011995733_100000765890 [0,2,0,0,0,0|0,0,2]=4 3687 B13R0.2 CCCCOCSCOC(=O)OCC 62a_100011995733_100000075025 [0,2,0,0,0,0|1,0,1]=4 3688 B13R0.2 CCCCSCC=NNC(=O)OCC 62a_100000210211_100015372823 [0,2,0,0,0,0|1,0,0]=3 3689 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,2,0,0,0,0|0,0,2]=4 3690 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,2,0,0,0,0|0,0,2]=4 3691 B13R0.2 CCCCSCCNCC(=O)OCC 2230a_100025743550_100000188475 [0,2,0,0,0,0|0,0,2]=4 3692 B13R0.2 CCCCSCCOCC(=O)OCC 34a_200000230436_100000188475 [0,2,0,0,0,0|0,0,2]=4 3693 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000088970_100000210210 [0,2,0,0,0,0|0,0,2]=4 3694 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000210211_100000088970 [0,2,0,0,0,0|0,0,2]=4 3695 B13R0.2 CCCCSCCOCC(=O)OCC 7a_200000230436_100000188475 [0,2,0,0,0,0|0,0,2]=4 3696 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,2,0,0,0,0|0,0,2]=4 3697 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,2,0,0,0,0|0,0,2]=4 3698 B13R0.2 CCCOCCCNCC(=O)OCC 2230a_100011217757_100000188475 [0,2,0,0,0,0|0,0,2]=4 3699 B13R0.2 CCCOCCCNCC(=O)OCC 34a_100011217757_100000188475 [0,2,0,0,0,0|0,0,2]=4 3700 B13R0.2 CCCOCCCOCC(=O)OCC 34a_100000210258_100009893628 [0,2,0,0,0,0|0,0,2]=4 3701 B13R0.2 CCCOCCNCCC(=O)OCC 2230a_100161115042_100011206558 [0,2,0,0,0,0|0,0,2]=4 3702 B13R0.2 CCCOCCNCCC(=O)OCC 34a_100161115042_100000765890 [0,2,0,0,0,0|0,0,2]=4 3703 B13R0.2 CCCOCCOCCC(=O)OCC 34a_100000752267_100000765890 [0,2,0,0,0,0|0,0,2]=4 3704 B13R0.2 CCCOCCOCCC(=O)OCC 7a_100000752267_100011206558 [0,2,0,0,0,0|0,0,2]=4 3705 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100000765890_100011215938 [0,2,0,0,0,0|0,0,2]=4 3706 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100011215938_100000765890 [0,2,0,0,0,0|0,0,2]=4 3707 B13R0.2 CCCOCCSCOC(=O)OCC 62a_100011215938_100000075025 [0,2,0,0,0,0|1,0,1]=4 3708 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,2,0,0,0,0|0,0,2]=4 3709 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,2,0,0,0,0|0,0,2]=4 3710 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100000210303_100009893628 [0,2,0,0,0,0|0,0,2]=4 3711 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100009893628_100000210303 [0,2,0,0,0,0|0,0,2]=4 3712 B13R0.2 CCCSCCNCCC(=O)OCC 2230a_100020603323_100011206558 [0,2,0,0,0,0|0,0,2]=4 3713 B13R0.2 CCCSCCOCCC(=O)OCC 34a_200000230433_100000765890 [0,2,0,0,0,0|0,0,2]=4 3714 B13R0.2 CCCSCCOCCC(=O)OCC 7a_200000230433_100011206558 [0,2,0,0,0,0|0,0,2]=4 3715 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,2,0,0,0,0|0,0,2]=4 3716 B13R0.2 CCOC(=O)/C=C/CNCCCCO 2230a_100000750430_100016267167 [0,2,0,0,0,0|0,0,0]=2 3717 B13R0.2 CCOC(=O)/C=C/CNCCCCO 34a_100000750430_100016267167 [0,2,0,0,0,0|0,0,0]=2 3718 B13R0.2 CCOC(=O)/C=C/CNCCCOC 34a_100150723488_100016267167 [0,2,0,0,0,0|0,0,0]=2 3719 B13R0.2 CCOC(=O)/C=C/CNCCCSC 2230a_100000749238_100016267167 [0,2,0,0,0,0|0,0,0]=2 3720 B13R0.2 CCOC(=O)/C=C/CNCCSCC 2230a_100000106463_100016267167 [0,2,0,0,0,0|0,0,0]=2 3721 B13R0.2 CCOC(=O)/C=C/COCC#CCCl 34a_200000047223_100016267167 [0,2,0,0,0,0|0,0,2]=4 3722 B13R0.2 CCOC(=O)/C=C/COCCCCBr 34a_100011216708_100016267167 [0,2,0,0,0,0|0,0,0]=2 3723 B13R0.2 CCOC(=O)/C=C/COCCCCCl 34a_100000210776_100016267167 [0,2,0,0,0,0|0,0,0]=2 3724 B13R0.2 CCOC(=O)/C=C/COCCCCCl 7a_100000210776_100016267167 [0,2,0,0,0,0|0,0,0]=2 3725 B13R0.2 CCOC(=O)/C=C/COCCCCF 34a_100011995726_100016267167 [0,2,0,0,0,0|0,0,0]=2 3726 B13R0.2 CCOC(=O)/C=C/COCCCCF 7a_100011995726_100016267167 [0,2,0,0,0,0|0,0,0]=2 3727 B13R0.2 CCOC(=O)/C=C/COCCCCI 34a_200012148704_100016267167 [0,2,0,0,0,0|0,0,0]=2 3728 B13R0.2 CCOC(=O)/C=C/COCCCCN 34a_100000750430_100016267167 [0,2,0,0,0,0|0,0,0]=2 3729 B13R0.2 CCOC(=O)/C=C/COCCCNC 34a_100000213112_100016267167 [0,2,0,0,0,0|0,0,0]=2 3730 B13R0.2 CCOC(=O)/C=C/COCCCOC 34a_100000740835_100016267167 [0,2,0,0,0,0|0,0,0]=2 3731 B13R0.2 CCOC(=O)/C=C/COCCCSC 34a_100000690336_100016267167 [0,2,0,0,0,0|0,0,0]=2 3732 B13R0.2 CCOC(=O)/C=C/COCCCSC 7a_100000690336_100016267167 [0,2,0,0,0,0|0,0,0]=2 3733 B13R0.2 CCOC(=O)/C=C/COCCSCC 34a_100000212035_100016267167 [0,2,0,0,0,0|0,0,0]=2 3734 B13R0.2 CCOC(=O)/C=C/COCCSCC 7a_100000212035_100016267167 [0,2,0,0,0,0|0,0,0]=2 3735 B13R0.2 CCOC(=O)/C=C/CSCC#CCO 62a_100016267167_200000047223 [0,2,0,0,0,0|0,0,2]=4 3736 B13R0.2 CCOC(=O)/C=C/CSCC#CCO 62a_200000047223_100016267167 [0,2,0,0,0,0|0,0,2]=4 3737 B13R0.2 CCOC(=O)/C=C/CSCCCC#N 62a_100000687738_100016267167 [0,2,0,0,0,0|0,0,1]=3 3738 B13R0.2 CCOC(=O)/C=C/CSCCCC#N 62a_100016267167_100000687738 [0,2,0,0,0,0|0,0,1]=3 3739 B13R0.2 CCOC(=O)/C=C/CSCCCC=O 62a_100016267167_200011292268 [0,2,0,0,0,0|0,0,1]=3 3740 B13R0.2 CCOC(=O)/C=C/CSCCCC=O 62a_200011292268_100016267167 [0,2,0,0,0,0|0,0,1]=3 3741 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100000729493_100016267167 [0,2,0,0,0,0|0,0,0]=2 3742 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100016267167_100000729493 [0,2,0,0,0,0|0,0,0]=2 3743 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100000210776_100016267167 [0,2,0,0,0,0|0,0,0]=2 3744 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100016267167_100000210776 [0,2,0,0,0,0|0,0,0]=2 3745 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100000709357_100016267167 [0,2,0,0,0,0|0,0,0]=2 3746 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100016267167_100000709357 [0,2,0,0,0,0|0,0,0]=2 3747 B13R0.2 CCOC(=O)/C=C/CSCCSC#N 62a_100000034367_100016267167 [0,2,0,0,0,0|1,0,1]=4 3748 B13R0.2 CCOC(=O)/C=C/CSCCSC#N 62a_100016267167_100000034367 [0,2,0,0,0,0|1,0,1]=4 3749 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100000757381_100016267167 [0,2,0,0,0,0|0,0,0]=2 3750 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100016267167_100000757381 [0,2,0,0,0,0|0,0,0]=2 3751 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,2,0,0,0,0|0,0,2]=4 3752 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,2,0,0,0,0|0,0,2]=4 3753 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,2,0,0,0,0|0,0,2]=4 3754 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,2,0,0,0,0|0,0,2]=4 3755 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,2,0,0,0,0|0,0,2]=4 3756 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,2,0,0,0,0|0,0,2]=4 3757 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,2,0,0,0,0|0,0,2]=4 3758 B13R0.2 CCOC(=O)CCCCCCSCF 62a_100015361967_100009814379 [0,2,0,0,0,0|0,0,2]=4 3759 B13R0.2 CCOC(=O)CCCCCNCCF 34a_100000724931_100000755133 [0,2,0,0,0,0|0,0,2]=4 3760 B13R0.2 CCOC(=O)CCCCCNCCO 2230a_100016997473_100000755133 [0,2,0,0,0,0|0,0,2]=4 3761 B13R0.2 CCOC(=O)CCCCCNCCO 34a_100016990907_100000755133 [0,2,0,0,0,0|0,0,2]=4 3762 B13R0.2 CCOC(=O)CCCCCOCCBr 34a_100000211926_100000755133 [0,2,0,0,0,0|0,0,2]=4 3763 B13R0.2 CCOC(=O)CCCCCOCCF 7a_100011214988_100011217306 [0,2,0,0,0,0|0,0,2]=4 3764 B13R0.2 CCOC(=O)CCCCCOCCN 34a_100000210304_100000755133 [0,2,0,0,0,0|0,0,2]=4 3765 B13R0.2 CCOC(=O)CCCCCOCCO 7a_100011214988_100000211926 [0,2,0,0,0,0|0,0,2]=4 3766 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100000755133_100011217306 [0,2,0,0,0,0|0,0,2]=4 3767 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100011217306_100000755133 [0,2,0,0,0,0|0,0,2]=4 3768 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000211926_100000755133 [0,2,0,0,0,0|0,0,2]=4 3769 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000755133_100000211926 [0,2,0,0,0,0|0,0,2]=4 3770 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000755133_100000766300 [0,2,0,0,0,0|0,0,2]=4 3771 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000766300_100000755133 [0,2,0,0,0,0|0,0,2]=4 3772 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100000755133_100011218213 [0,2,0,0,0,0|0,0,2]=4 3773 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100011218213_100000755133 [0,2,0,0,0,0|0,0,2]=4 3774 B13R0.2 CCOC(=O)CCCCNCCCF 2230a_100015189416_100000750268 [0,2,0,0,0,0|0,0,2]=4 3775 B13R0.2 CCOC(=O)CCCCNCCCF 34a_100015189416_100000750268 [0,2,0,0,0,0|0,0,2]=4 3776 B13R0.2 CCOC(=O)CCCCNCCOC 2230a_100000209980_100000750268 [0,2,0,0,0,0|0,0,2]=4 3777 B13R0.2 CCOC(=O)CCCCNCCSC 2230a_100020590264_100000750268 [0,2,0,0,0,0|0,0,2]=4 3778 B13R0.2 CCOC(=O)CCCCOCCCBr 34a_100011217188_100000750268 [0,2,0,0,0,0|0,0,2]=4 3779 B13R0.2 CCOC(=O)CCCCOCCCCl 34a_100000230001_100000750268 [0,2,0,0,0,0|0,0,2]=4 3780 B13R0.2 CCOC(=O)CCCCOCCCF 34a_100000759539_100000750268 [0,2,0,0,0,0|0,0,2]=4 3781 B13R0.2 CCOC(=O)CCCCOCCCN 34a_100000182051_100000750268 [0,2,0,0,0,0|0,0,2]=4 3782 B13R0.2 CCOC(=O)CCCCOCCOC 34a_100000210237_100000750268 [0,2,0,0,0,0|0,0,2]=4 3783 B13R0.2 CCOC(=O)CCCCOCCSC 34a_100000230434_100000750268 [0,2,0,0,0,0|0,0,2]=4 3784 B13R0.2 CCOC(=O)CCCCOCCSC 7a_100000230434_100000750268 [0,2,0,0,0,0|0,0,2]=4 3785 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100000750268_100011934791 [0,2,0,0,0,0|0,0,2]=4 3786 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100011934791_100000750268 [0,2,0,0,0,0|0,0,2]=4 3787 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100000750268_100011215043 [0,2,0,0,0,0|0,0,2]=4 3788 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100011215043_100000750268 [0,2,0,0,0,0|0,0,2]=4 3789 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000233755_100000750268 [0,2,0,0,0,0|0,0,2]=4 3790 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000750268_100000233755 [0,2,0,0,0,0|0,0,2]=4 3791 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000212216_100000750268 [0,2,0,0,0,0|0,0,2]=4 3792 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000750268_100000751147 [0,2,0,0,0,0|0,0,2]=4 3793 B13R0.2 CCOC(=O)CCCNCCCCO 2230a_100000750430_100009991533 [0,2,0,0,0,0|0,0,2]=4 3794 B13R0.2 CCOC(=O)CCCNCCCCO 34a_100000750430_100009991533 [0,2,0,0,0,0|0,0,2]=4 3795 B13R0.2 CCOC(=O)CCCNCCCOC 34a_100150723488_100009991533 [0,2,0,0,0,0|0,0,2]=4 3796 B13R0.2 CCOC(=O)CCCNCCCSC 2230a_100000749238_100009991533 [0,2,0,0,0,0|0,0,2]=4 3797 B13R0.2 CCOC(=O)CCCNCCSCC 2230a_100000106463_100009991533 [0,2,0,0,0,0|0,0,2]=4 3798 B13R0.2 CCOC(=O)CCCOCCCCBr 34a_100011216708_100009991533 [0,2,0,0,0,0|0,0,2]=4 3799 B13R0.2 CCOC(=O)CCCOCCCCCl 34a_100000210776_100009991533 [0,2,0,0,0,0|0,0,2]=4 3800 B13R0.2 CCOC(=O)CCCOCCCCCl 7a_100000210776_100011215271 [0,2,0,0,0,0|0,0,2]=4 3801 B13R0.2 CCOC(=O)CCCOCCCCF 34a_100011995726_100009991533 [0,2,0,0,0,0|0,0,2]=4 3802 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100011995726_100011215271 [0,2,0,0,0,0|0,0,2]=4 3803 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100012001163_100000729493 [0,2,0,0,0,0|0,0,2]=4 3804 B13R0.2 CCOC(=O)CCCOCCCCI 34a_200012148704_100009991533 [0,2,0,0,0,0|0,0,2]=4 3805 B13R0.2 CCOC(=O)CCCOCCCCN 34a_100000750430_100009991533 [0,2,0,0,0,0|0,0,2]=4 3806 B13R0.2 CCOC(=O)CCCOCCCCO 7a_100012001163_100000210776 [0,2,0,0,0,0|0,0,2]=4 3807 B13R0.2 CCOC(=O)CCCOCCCNC 34a_100000213112_100009991533 [0,2,0,0,0,0|0,0,2]=4 3808 B13R0.2 CCOC(=O)CCCOCCCOC 34a_100000740835_100009991533 [0,2,0,0,0,0|0,0,2]=4 3809 B13R0.2 CCOC(=O)CCCOCCCOC 7a_100012001163_100000740836 [0,2,0,0,0,0|0,0,2]=4 3810 B13R0.2 CCOC(=O)CCCOCCCSC 34a_100000690336_100009991533 [0,2,0,0,0,0|0,0,2]=4 3811 B13R0.2 CCOC(=O)CCCOCCCSC 7a_100000690336_100011215271 [0,2,0,0,0,0|0,0,2]=4 3812 B13R0.2 CCOC(=O)CCCOCCSCC 34a_100000212035_100009991533 [0,2,0,0,0,0|0,0,2]=4 3813 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100000212035_100011215271 [0,2,0,0,0,0|0,0,2]=4 3814 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100012001163_100000757381 [0,2,0,0,0,0|0,0,2]=4 3815 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100000729493_100009991533 [0,2,0,0,0,0|0,0,2]=4 3816 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100009991533_100000729493 [0,2,0,0,0,0|0,0,2]=4 3817 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100000210776_100009991533 [0,2,0,0,0,0|0,0,2]=4 3818 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100009991533_100000210776 [0,2,0,0,0,0|0,0,2]=4 3819 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100000709357_100009991533 [0,2,0,0,0,0|0,0,2]=4 3820 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100009991533_100000709357 [0,2,0,0,0,0|0,0,2]=4 3821 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100000757381_100009991533 [0,2,0,0,0,0|0,0,2]=4 3822 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100009991533_100000757381 [0,2,0,0,0,0|0,0,2]=4 3823 B13R0.2 CCOC(=O)CCNCCCCCO 2230a_100000762737_100011206558 [0,2,0,0,0,0|0,0,2]=4 3824 B13R0.2 CCOC(=O)CCNCCCCCO 34a_100000762737_100000765890 [0,2,0,0,0,0|0,0,2]=4 3825 B13R0.2 CCOC(=O)CCOCCCCCBr 34a_100000746331_100000765890 [0,2,0,0,0,0|0,0,2]=4 3826 B13R0.2 CCOC(=O)CCOCCCCCBr 7a_100000746331_100011206558 [0,2,0,0,0,0|0,0,2]=4 3827 B13R0.2 CCOC(=O)CCOCCCCCCl 34a_100000746330_100000765890 [0,2,0,0,0,0|0,0,2]=4 3828 B13R0.2 CCOC(=O)CCOCCCCCCl 7a_100000746330_100011206558 [0,2,0,0,0,0|0,0,2]=4 3829 B13R0.2 CCOC(=O)CCOCCCCCI 34a_200012148887_100000765890 [0,2,0,0,0,0|0,0,2]=4 3830 B13R0.2 CCOC(=O)CCOCCCCCI 7a_200012148887_100011206558 [0,2,0,0,0,0|0,0,2]=4 3831 B13R0.2 CCOC(=O)CCOCCCCCN 34a_100000762737_100000765890 [0,2,0,0,0,0|0,0,2]=4 3832 B13R0.2 CCOC(=O)CCOCCCCOC 34a_100000740925_100000765890 [0,2,0,0,0,0|0,0,2]=4 3833 B13R0.2 CCOC(=O)CCOCCCCSC 34a_100011217163_100000765890 [0,2,0,0,0,0|0,0,2]=4 3834 B13R0.2 CCOC(=O)CCOCCCCSC 7a_100011217163_100011206558 [0,2,0,0,0,0|0,0,2]=4 3835 B13R0.2 CCOC(=O)CCOCCCSCC 34a_100011216438_100000765890 [0,2,0,0,0,0|0,0,2]=4 3836 B13R0.2 CCOC(=O)CCOCCCSCC 7a_100011216438_100011206558 [0,2,0,0,0,0|0,0,2]=4 3837 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000729378_100000765890 [0,2,0,0,0,0|0,0,2]=4 3838 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000765890_100000729378 [0,2,0,0,0,0|0,0,2]=4 3839 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000746330_100000765890 [0,2,0,0,0,0|0,0,2]=4 3840 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000765890_100000746330 [0,2,0,0,0,0|0,0,2]=4 3841 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000730899_100000765890 [0,2,0,0,0,0|0,0,2]=4 3842 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000765890_100000730899 [0,2,0,0,0,0|0,0,2]=4 3843 B13R0.2 CCOC(=O)CNCCCCCCO 2230a_100000686447_100000188475 [0,2,0,0,0,0|0,0,2]=4 3844 B13R0.2 CCOC(=O)CNCCCCCCO 34a_100000686447_100000188475 [0,2,0,0,0,0|0,0,2]=4 3845 B13R0.2 CCOC(=O)CNCCCCCOC 2230a_100000747528_100000188475 [0,2,0,0,0,0|0,0,2]=4 3846 B13R0.2 CCOC(=O)CNCCCCCOC 34a_100000747528_100000188475 [0,2,0,0,0,0|0,0,2]=4 3847 B13R0.2 CCOC(=O)CNCCOCCOC 2230a_100000745349_100000188475 [0,2,0,0,0,0|1,0,1]=4 3848 B13R0.2 CCOC(=O)CNCCOCCOC 34a_100000745349_100000188475 [0,2,0,0,0,0|1,0,1]=4 3849 B13R0.2 CCOC(=O)COCCCCCCBr 34a_100011215345_100000188475 [0,2,0,0,0,0|0,0,2]=4 3850 B13R0.2 CCOC(=O)COCCCCCCBr 7a_100011215345_100000188475 [0,2,0,0,0,0|0,0,2]=4 3851 B13R0.2 CCOC(=O)COCCCCCCCl 34a_100000766143_100000188475 [0,2,0,0,0,0|0,0,2]=4 3852 B13R0.2 CCOC(=O)COCCCCCCCl 7a_100000766143_100000188475 [0,2,0,0,0,0|0,0,2]=4 3853 B13R0.2 CCOC(=O)COCCCCCCF 34a_100000732779_100000188475 [0,2,0,0,0,0|0,0,2]=4 3854 B13R0.2 CCOC(=O)COCCCCCCF 7a_100000732779_100000188475 [0,2,0,0,0,0|0,0,2]=4 3855 B13R0.2 CCOC(=O)COCCCCCCN 34a_100000686447_100000188475 [0,2,0,0,0,0|0,0,2]=4 3856 B13R0.2 CCOC(=O)COCCCCCNC 34a_100000722520_100000188475 [0,2,0,0,0,0|0,0,2]=4 3857 B13R0.2 CCOC(=O)COCCCNCCF 34a_100000724931_100009893628 [0,2,0,0,0,0|1,0,1]=4 3858 B13R0.2 CCOC(=O)COCCCNCCO 2230a_100016997473_100009893628 [0,2,0,0,0,0|1,0,1]=4 3859 B13R0.2 CCOC(=O)COCCCNCCO 34a_100016990907_100009893628 [0,2,0,0,0,0|1,0,1]=4 3860 B13R0.2 CCOC(=O)COCCCOCCBr 34a_100000211926_100009893628 [0,2,0,0,0,0|1,0,1]=4 3861 B13R0.2 CCOC(=O)COCCCOCCN 34a_100000210304_100009893628 [0,2,0,0,0,0|1,0,1]=4 3862 B13R0.2 CCOC(=O)COCCCSCCF 62a_100009893628_100011217306 [0,2,0,0,0,0|1,0,1]=4 3863 B13R0.2 CCOC(=O)COCCCSCCF 62a_100011217306_100009893628 [0,2,0,0,0,0|1,0,1]=4 3864 B13R0.2 CCOC(=O)COCCCSCCO 62a_100000211926_100009893628 [0,2,0,0,0,0|1,0,1]=4 3865 B13R0.2 CCOC(=O)COCCCSCCO 62a_100009893628_100000211926 [0,2,0,0,0,0|1,0,1]=4 3866 B13R0.2 CCOC(=O)COCCCSCOC 62a_100000766300_100009893628 [0,2,0,0,0,0|1,0,1]=4 3867 B13R0.2 CCOC(=O)COCCCSCOC 62a_100009893628_100000766300 [0,2,0,0,0,0|1,0,1]=4 3868 B13R0.2 CCOC(=O)COCCCSCSC 62a_100009893628_100011218213 [0,2,0,0,0,0|1,0,1]=4 3869 B13R0.2 CCOC(=O)COCCCSCSC 62a_100011218213_100009893628 [0,2,0,0,0,0|1,0,1]=4 3870 B13R0.2 CCOC(=O)COCCNCCCF 2230a_100015189416_100000088970 [0,2,0,0,0,0|1,0,1]=4 3871 B13R0.2 CCOC(=O)COCCNCCCF 34a_100015189416_100000088970 [0,2,0,0,0,0|1,0,1]=4 3872 B13R0.2 CCOC(=O)COCCNCCOC 2230a_100000209980_100000088970 [0,2,0,0,0,0|1,0,1]=4 3873 B13R0.2 CCOC(=O)COCCNCCSC 2230a_100020590264_100000088970 [0,2,0,0,0,0|1,0,1]=4 3874 B13R0.2 CCOC(=O)COCCOCCCBr 34a_100011217188_100000088970 [0,2,0,0,0,0|1,0,1]=4 3875 B13R0.2 CCOC(=O)COCCOCCCCl 34a_100000230001_100000088970 [0,2,0,0,0,0|1,0,1]=4 3876 B13R0.2 CCOC(=O)COCCOCCCF 34a_100000759539_100000088970 [0,2,0,0,0,0|1,0,1]=4 3877 B13R0.2 CCOC(=O)COCCOCCCN 34a_100000182051_100000088970 [0,2,0,0,0,0|1,0,1]=4 3878 B13R0.2 CCOC(=O)COCCOCCNC 34a_100000228057_100000188475 [0,2,0,0,0,0|1,0,1]=4 3879 B13R0.2 CCOC(=O)COCCOCCOC 34a_100000210237_100000088970 [0,2,0,0,0,0|1,0,1]=4 3880 B13R0.2 CCOC(=O)COCCOCCOC 34a_100011215163_100000188475 [0,2,0,0,0,0|1,0,1]=4 3881 B13R0.2 CCOC(=O)COCCOCCOC 7a_100011215163_100000188475 [0,2,0,0,0,0|1,0,1]=4 3882 B13R0.2 CCOC(=O)COCCOCCSC 34a_100000230434_100000088970 [0,2,0,0,0,0|1,0,1]=4 3883 B13R0.2 CCOC(=O)COCCOCCSC 7a_100000230434_100000088970 [0,2,0,0,0,0|1,0,1]=4 3884 B13R0.2 CCOC(=O)COCCSCCCF 62a_100000088970_100011934791 [0,2,0,0,0,0|1,0,1]=4 3885 B13R0.2 CCOC(=O)COCCSCCCF 62a_100011934791_100000088970 [0,2,0,0,0,0|1,0,1]=4 3886 B13R0.2 CCOC(=O)COCCSCCCO 62a_100000088970_100011215043 [0,2,0,0,0,0|1,0,1]=4 3887 B13R0.2 CCOC(=O)COCCSCCCO 62a_100011215043_100000088970 [0,2,0,0,0,0|1,0,1]=4 3888 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000088970_100000233755 [0,2,0,0,0,0|1,0,1]=4 3889 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000233755_100000088970 [0,2,0,0,0,0|1,0,1]=4 3890 B13R0.2 CCOC(=O)COCCSCCSC 62a_100000088970_100000751147 [0,2,0,0,0,0|1,0,1]=4 3891 B13R0.2 CCOC(=O)COCCSCCSC 62a_100000212216_100000088970 [0,2,0,0,0,0|1,0,1]=4 3892 B13R0.2 CCOC(=O)CSCCCCCC#N 62a_100000188475_100009813376 [0,2,0,0,0,0|1,0,1]=4 3893 B13R0.2 CCOC(=O)CSCCCCCC#N 62a_100009813376_100000188475 [0,2,0,0,0,0|1,0,1]=4 3894 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000139337_100000188475 [0,2,0,0,0,0|1,0,1]=4 3895 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000188475_100000139337 [0,2,0,0,0,0|1,0,1]=4 3896 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100000188475_100015922095 [0,2,0,0,0,0|0,0,2]=4 3897 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100015922095_100000188475 [0,2,0,0,0,0|0,0,2]=4 3898 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000188475_100000766143 [0,2,0,0,0,0|0,0,2]=4 3899 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000766143_100000188475 [0,2,0,0,0,0|0,0,2]=4 3900 B13R0.2 CCOC(=O)CSCCOCCCF 7a_200000230590_100011934791 [0,2,0,0,0,0|1,0,1]=4 3901 B13R0.2 CCOC(=O)CSCCOCCCO 7a_200000230590_100011215043 [0,2,0,0,0,0|1,0,1]=4 3902 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000188475_100000695917 [0,2,0,0,0,0|1,0,1]=4 3903 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000695917_100000188475 [0,2,0,0,0,0|1,0,1]=4 3904 B13R0.2 CCOC(=O)CSCCOCCOC 7a_200000230590_100000233755 [0,2,0,0,0,0|1,0,1]=4 3905 B13R0.2 CCOC(=O)CSCCOCCSC 7a_200000230590_100000212216 [0,2,0,0,0,0|1,0,1]=4 3906 B13R0.2 CCOC(=O)NCCOCCCCCl 7a_100000210776_200011445536 [0,2,0,0,0,0|1,0,1]=4 3907 B13R0.2 CCOC(=O)NCCOCCCCF 34a_100000158857_100000729493 [0,2,0,0,0,0|1,0,1]=4 3908 B13R0.2 CCOC(=O)NCCOCCCCF 7a_100011995726_200011445536 [0,2,0,0,0,0|1,0,1]=4 3909 B13R0.2 CCOC(=O)NCCOCCCCO 34a_100000158857_100011216708 [0,2,0,0,0,0|1,0,1]=4 3910 B13R0.2 CCOC(=O)NCCOCCCOC 34a_100000158857_100000740836 [0,2,0,0,0,0|1,0,1]=4 3911 B13R0.2 CCOC(=O)NCCOCCCSC 7a_100000690336_200011445536 [0,2,0,0,0,0|1,0,1]=4 3912 B13R0.2 CCOC(=O)NCCOCCSCC 34a_100000158857_100000757381 [0,2,0,0,0,0|1,0,1]=4 3913 B13R0.2 CCOC(=O)NCCOCCSCC 7a_100000212035_200011445536 [0,2,0,0,0,0|1,0,1]=4 3914 B13R0.2 CCOC(=O)NCCSCCCCF 62a_100000729493_200011445536 [0,2,0,0,0,0|1,0,1]=4 3915 B13R0.2 CCOC(=O)NCCSCCCCO 62a_100000210776_200011445536 [0,2,0,0,0,0|1,0,1]=4 3916 B13R0.2 CCOC(=O)NCCSCCCOC 62a_100000709357_200011445536 [0,2,0,0,0,0|1,0,1]=4 3917 B13R0.2 CCOC(=O)NCCSCCSCC 62a_100000757381_200011445536 [0,2,0,0,0,0|1,0,1]=4 3918 B13R0.2 CCOC(=O)NN=CCSCCCF 62a_100011934791_100015372823 [0,2,0,0,0,0|2,0,0]=4 3919 B13R0.2 CCOC(=O)NN=CCSCCCO 62a_100011215043_100015372823 [0,2,0,0,0,0|2,0,0]=4 3920 B13R0.2 CCOC(=O)NN=CCSCCOC 62a_100000233755_100015372823 [0,2,0,0,0,0|2,0,0]=4 3921 B13R0.2 CCOC(=O)NN=CCSCCSC 62a_100000212216_100015372823 [0,2,0,0,0,0|2,0,0]=4 3922 B13R0.2 CCOC(=O)OCSCCCCCF 62a_100000729378_100000075025 [0,2,0,0,0,0|1,0,1]=4 3923 B13R0.2 CCOC(=O)OCSCCCCCO 62a_100000746330_100000075025 [0,2,0,0,0,0|1,0,1]=4 3924 B13R0.2 CCOC(=O)OCSCCCCOC 62a_100000730899_100000075025 [0,2,0,0,0,0|1,0,1]=4 3925 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,2,0,0,0,0|0,0,2]=4 3926 B13R0.2 CCOCCCNCCC(=O)OCC 2230a_100000210961_100011206558 [0,2,0,0,0,0|0,0,2]=4 3927 B13R0.2 CCOCCCNCCC(=O)OCC 34a_100000210961_100000765890 [0,2,0,0,0,0|0,0,2]=4 3928 B13R0.2 CCOCCCOCCC(=O)OCC 34a_100000757476_100000765890 [0,2,0,0,0,0|0,0,2]=4 3929 B13R0.2 CCOCCCOCCC(=O)OCC 7a_100000757476_100011206558 [0,2,0,0,0,0|0,0,2]=4 3930 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100000765890_100012232248 [0,2,0,0,0,0|0,0,2]=4 3931 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100012232248_100000765890 [0,2,0,0,0,0|0,0,2]=4 3932 B13R0.2 CCOCCCSCOC(=O)OCC 62a_100012232248_100000075025 [0,2,0,0,0,0|1,0,1]=4 3933 B13R0.2 CCOCCNC/C=C/C(=O)OCC 2230a_102516460346_100016267167 [0,2,0,0,0,0|0,0,0]=2 3934 B13R0.2 CCOCCNC/C=C/C(=O)OCC 34a_102516460346_100016267167 [0,2,0,0,0,0|0,0,0]=2 3935 B13R0.2 CCOCCNCCCC(=O)OCC 2230a_102516460346_100009991533 [0,2,0,0,0,0|0,0,2]=4 3936 B13R0.2 CCOCCNCCCC(=O)OCC 34a_102516460346_100009991533 [0,2,0,0,0,0|0,0,2]=4 3937 B13R0.2 CCOCCNN=C[CH-]C(=O)OCC 4a_100000732670_100010622808 [0,2,0,0,0,0|1,0,1]=4 3938 B13R0.2 CCOCCOC/C=C/C(=O)OCC 34a_100000210136_100016267167 [0,2,0,0,0,0|0,0,0]=2 3939 B13R0.2 CCOCCOC/C=C/C(=O)OCC 7a_100000210136_100016267167 [0,2,0,0,0,0|0,0,0]=2 3940 B13R0.2 CCOCCOCCCC(=O)OCC 34a_100000210136_100009991533 [0,2,0,0,0,0|0,0,2]=4 3941 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100000210136_100011215271 [0,2,0,0,0,0|0,0,2]=4 3942 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100012001163_100011215890 [0,2,0,0,0,0|0,0,2]=4 3943 B13R0.2 CCOCCOCCNC(=O)OCC 34a_100000158857_100000210147 [0,2,0,0,0,0|1,0,1]=4 3944 B13R0.2 CCOCCOCCNC(=O)OCC 7a_100000210136_200011445536 [0,2,0,0,0,0|1,0,1]=4 3945 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100000210147_100016267167 [0,2,0,0,0,0|0,0,0]=2 3946 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100016267167_100011215890 [0,2,0,0,0,0|0,0,0]=2 3947 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100000210147_100009991533 [0,2,0,0,0,0|0,0,2]=4 3948 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100009991533_100011215890 [0,2,0,0,0,0|0,0,2]=4 3949 B13R0.2 CCOCCSCCNC(=O)OCC 62a_100000210147_200011445536 [0,2,0,0,0,0|1,0,1]=4 3950 B13R0.2 CCOCSCC=NNC(=O)OCC 62a_100000739092_100015372823 [0,2,0,0,0,0|2,0,0]=4 3951 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000739092_100000750268 [0,2,0,0,0,0|0,0,2]=4 3952 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000750268_100000739092 [0,2,0,0,0,0|0,0,2]=4 3953 B13R0.2 CCOCSCCOCC(=O)OCC 62a_100000088970_100000739092 [0,2,0,0,0,0|1,0,1]=4 3954 B13R0.2 CCOCSCCOCC(=O)OCC 62a_100000739092_100000088970 [0,2,0,0,0,0|1,0,1]=4 3955 B13R0.66 C#CCCC(=O)C/C=C/CCCCC 1458a_100020675968_100000753159 [0,2,0,0,0,0|1,0,1]=4 3956 B13R0.66 C#CCCC(=O)C=CCCCCCC 1458a_200015324643_100000753159 [0,2,0,0,0,0|1,0,1]=4 3957 B13R0.66 C#CCNC(=O)C/C=C/CCCCC 11a_100000212058_100020675968 [0,2,0,0,0,0|1,0,1]=4 3958 B13R0.66 C#CCNC(=O)C/C=C/CCCCC 1626a_100000212058_100020675968 [0,2,0,0,0,0|1,0,1]=4 3959 B13R0.66 C#CCNC(=O)C/C=C/CCCCC 240690a_100000212058_100020675968 [0,2,0,0,0,0|1,0,1]=4 3960 B13R0.66 C#CCNC(=O)C=CCCCCCC 11a_100000212058_200015324643 [0,2,0,0,0,0|1,0,1]=4 3961 B13R0.66 C#CCNC(=O)C=CCCCCCC 1626a_100000212058_200015324643 [0,2,0,0,0,0|1,0,1]=4 3962 B13R0.66 C#CCNC(=O)C=CCCCCCC 240690a_100000212058_200015324643 [0,2,0,0,0,0|1,0,1]=4 3963 B13R0.66 C/C=C/CC(=O)C/C=C/CCCCC 1458a_100020675968_100102629194 [0,2,0,0,0,0|1,0,1]=4 3964 B13R0.66 C/C=C/CC(=O)C=CCCCCCC 1458a_200015324643_100102629194 [0,2,0,0,0,0|1,0,1]=4 3965 B13R0.66 C=CCCC(=O)C/C=C/CCCCC 1458a_100020675968_100000754431 [0,2,0,0,0,0|1,0,1]=4 3966 B13R0.66 C=CCCC(=O)C=CCCCCCC 1458a_200015324643_100000754431 [0,2,0,0,0,0|1,0,1]=4 3967 B13R0.66 C=CCNC(=O)C/C=C/CCCCC 1626a_100020586998_100020675968 [0,2,0,0,0,0|1,0,1]=4 3968 B13R0.66 C=CCNC(=O)C/C=C/CCCCC 240690a_100020586998_100020675968 [0,2,0,0,0,0|1,0,1]=4 3969 B13R0.66 C=CCNC(=O)C=CCCCCCC 1626a_100020586998_200015324643 [0,2,0,0,0,0|1,0,1]=4 3970 B13R0.66 C=CCNC(=O)C=CCCCCCC 240690a_100020586998_200015324643 [0,2,0,0,0,0|1,0,1]=4 3971 B13R0.66 CC#CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000748600 [0,2,0,0,0,0|1,0,1]=4 3972 B13R0.66 CC#CCC(=O)C=CCCCCCC 1458a_200015324643_100000748600 [0,2,0,0,0,0|1,0,1]=4 3973 B13R0.66 CC=CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000070051 [0,2,0,0,0,0|1,0,1]=4 3974 B13R0.66 CC=CCC(=O)C=CCCCCCC 1458a_200015324643_100000070051 [0,2,0,0,0,0|1,0,1]=4 3975 B13R0.66 CCCCC/C=C/CC(=O)CCC#N 1458a_100020675968_100011215226 [0,2,0,0,0,0|1,0,1]=4 3976 B13R0.66 CCCCC/C=C/CC(=O)CCCC 1458a_100020675968_100000210211 [0,2,0,0,0,0|1,0,0]=3 3977 B13R0.66 CCCCC/C=C/CC(=O)CCCF 1458a_100020675968_100011934791 [0,2,0,0,0,0|1,0,0]=3 3978 B13R0.66 CCCCC/C=C/CC(=O)CCCO 1458a_100020675968_100011215043 [0,2,0,0,0,0|1,0,0]=3 3979 B13R0.66 CCCCC/C=C/CC(=O)CCOC 1458a_100020675968_100000233755 [0,2,0,0,0,0|1,0,0]=3 3980 B13R0.66 CCCCC/C=C/CC(=O)CCSC 1458a_100020675968_100000751147 [0,2,0,0,0,0|1,0,0]=3 3981 B13R0.66 CCCCC/C=C/CC(=O)NCC#N 1626a_100000734998_100020675968 [0,2,0,0,0,0|1,0,1]=4 3982 B13R0.66 CCCCC/C=C/CC(=O)NCCC 11a_100020643023_100020675968 [0,2,0,0,0,0|1,0,0]=3 3983 B13R0.66 CCCCC/C=C/CC(=O)NCCC 1626a_100020643023_100020675968 [0,2,0,0,0,0|1,0,0]=3 3984 B13R0.66 CCCCC/C=C/CC(=O)NCCC 240690a_100020643023_100020675968 [0,2,0,0,0,0|1,0,0]=3 3985 B13R0.66 CCCCC/C=C/CC(=O)NCCF 11a_100000724931_100020675968 [0,2,0,0,0,0|1,0,0]=3 3986 B13R0.66 CCCCC/C=C/CC(=O)NCCF 1626a_100000724931_100020675968 [0,2,0,0,0,0|1,0,0]=3 3987 B13R0.66 CCCCC/C=C/CC(=O)NCCF 240690a_100000724931_100020675968 [0,2,0,0,0,0|1,0,0]=3 3988 B13R0.66 CCCCC/C=C/CC(=O)NCCO 240690a_100000210304_100020675968 [0,2,0,0,0,0|1,0,0]=3 3989 B13R0.66 CCCCC/C=C/CC(=O)NNCC 22a_100000756455_100020675968 [0,2,0,0,0,0|1,0,0]=3 3990 B13R0.66 CCCCCC#CCC(=O)COCC 1458a_100000211967_100009816472 [0,2,0,0,0,0|0,0,2]=4 3991 B13R0.66 CCCCCC=NNC(=O)CCCC 4a_100000189769_100000737632 [0,2,0,0,0,0|2,0,0]=4 3992 B13R0.66 CCCCCC=NNC(=O)CCOC 4a_100011260505_100000737632 [0,2,0,0,0,0|2,0,0]=4 3993 B13R0.66 CCCCCC=NNC(=O)COCC 4a_100000216846_100000737632 [0,2,0,0,0,0|1,0,0]=3 3994 B13R0.66 CCCCCCC=CC(=NNCC)C 4a_100000756455_200020667302 [0,2,0,0,0,0|2,0,0]=4 3995 B13R0.66 CCCCCCC=CC(=O)CCC#N 1458a_200015324643_100011215226 [0,2,0,0,0,0|1,0,1]=4 3996 B13R0.66 CCCCCCC=CC(=O)CCCC 1458a_200015324643_100000210211 [0,2,0,0,0,0|1,0,0]=3 3997 B13R0.66 CCCCCCC=CC(=O)CCCF 1458a_200015324643_100011934791 [0,2,0,0,0,0|1,0,0]=3 3998 B13R0.66 CCCCCCC=CC(=O)CCCO 1458a_200015324643_100011215043 [0,2,0,0,0,0|1,0,0]=3 3999 B13R0.66 CCCCCCC=CC(=O)CCOC 1458a_200015324643_100000233755 [0,2,0,0,0,0|1,0,0]=3 4000 B13R0.66 CCCCCCC=CC(=O)CCSC 1458a_200015324643_100000751147 [0,2,0,0,0,0|1,0,0]=3 4001 B13R0.66 CCCCCCC=CC(=O)NCC#N 1626a_100000734998_200015324643 [0,2,0,0,0,0|1,0,1]=4 4002 B13R0.66 CCCCCCC=CC(=O)NCCC 11a_100020643023_200015324643 [0,2,0,0,0,0|1,0,0]=3 4003 B13R0.66 CCCCCCC=CC(=O)NCCC 1626a_100020643023_200015324643 [0,2,0,0,0,0|1,0,0]=3 4004 B13R0.66 CCCCCCC=CC(=O)NCCC 240690a_100020643023_200015324643 [0,2,0,0,0,0|1,0,0]=3 4005 B13R0.66 CCCCCCC=CC(=O)NCCF 11a_100000724931_200015324643 [0,2,0,0,0,0|1,0,0]=3 4006 B13R0.66 CCCCCCC=CC(=O)NCCF 1626a_100000724931_200015324643 [0,2,0,0,0,0|1,0,0]=3 4007 B13R0.66 CCCCCCC=CC(=O)NCCF 240690a_100000724931_200015324643 [0,2,0,0,0,0|1,0,0]=3 4008 B13R0.66 CCCCCCC=CC(=O)NCCO 240690a_100000210304_200015324643 [0,2,0,0,0,0|1,0,0]=3 4009 B13R0.66 CCCCCCC=CC(=O)NNCC 22a_100000756455_200015324643 [0,2,0,0,0,0|1,0,0]=3 4010 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [0,2,0,0,0,0|0,0,2]=4 4011 B13R0.66 CCCCCCCNC(=O)COCC 11a_100000229938_100000211967 [0,2,0,0,0,0|0,0,2]=4 4012 B13R0.66 CCCCCCCNC(=O)COCC 1626a_100000229938_100000211967 [0,2,0,0,0,0|0,0,2]=4 4013 B13R0.66 CCCCCCCNC(=O)COCC 240690a_100000229938_100000211967 [0,2,0,0,0,0|0,0,2]=4 4014 B13R0.66 CCCCCCCNC(=O)COCC 527a_100000229938_100000211967 [0,2,0,0,0,0|0,0,2]=4 4015 B13R0.66 CCCCCCNCC(=O)OCCC 2230a_100000210581_200011215008 [0,2,0,0,0,0|0,0,2]=4 4016 B13R0.66 CCCCCCOCC(=O)OCCC 34a_100000210259_200011215008 [0,2,0,0,0,0|0,0,2]=4 4017 B13R0.66 CCCCCCOCC(=O)OCCC 7a_100000210259_200011215008 [0,2,0,0,0,0|0,0,2]=4 4018 B13R0.66 CCCCCCSCC(=O)OCCC 62a_100000210314_200011215008 [0,2,0,0,0,0|0,0,2]=4 4019 B13R0.66 CCCCCCSCC(=O)OCCC 62a_200011215008_100000210757 [0,2,0,0,0,0|0,0,2]=4 4020 B13R0.66 CCCCCNN=C/C(=C/OCC)/C 4a_100000694160_200016998492 [0,2,0,0,0,0|2,0,0]=4 4021 B13R0.66 CCCCCOCOC(=O)OCCC 34a_100000210253_200000139673 [0,2,0,0,0,0|1,0,1]=4 4022 B13R0.66 CCCCCOCOC(=O)OCCC 7a_100000210253_200000139673 [0,2,0,0,0,0|1,0,1]=4 4023 B13R0.66 CCCCCSCOC(=O)OCCC 62a_100000210326_200000139673 [0,2,0,0,0,0|1,0,1]=4 4024 B13R0.66 CCCCOCSCC(=O)OCCC 62a_100011995733_200011215008 [0,2,0,0,0,0|1,0,1]=4 4025 B13R0.66 CCCCOCSCC(=O)OCCC 62a_200011215008_100011995733 [0,2,0,0,0,0|1,0,1]=4 4026 B13R0.66 CCCCSCCNC(=O)COCC 11a_100025743550_100000211967 [0,2,0,0,0,0|1,0,1]=4 4027 B13R0.66 CCCCSCCNC(=O)COCC 1626a_100025743550_100000211967 [0,2,0,0,0,0|1,0,1]=4 4028 B13R0.66 CCCCSCCNC(=O)COCC 240690a_100025743550_100000211967 [0,2,0,0,0,0|1,0,1]=4 4029 B13R0.66 CCCCSCCNC(=O)COCC 527a_100025743550_100000211967 [0,2,0,0,0,0|1,0,1]=4 4030 B13R0.66 CCCOC(=O)CNCCCCCO 2230a_100000762737_200011215008 [0,2,0,0,0,0|1,0,1]=4 4031 B13R0.66 CCCOC(=O)CNCCCCCO 34a_100000762737_200011215008 [0,2,0,0,0,0|1,0,1]=4 4032 B13R0.66 CCCOC(=O)CNCCCOCC 2230a_100000210961_200011215008 [0,2,0,0,0,0|1,0,1]=4 4033 B13R0.66 CCCOC(=O)CNCCCOCC 34a_100000210961_200011215008 [0,2,0,0,0,0|1,0,1]=4 4034 B13R0.66 CCCOC(=O)CNCCSCCC 2230a_100020603323_200011215008 [0,2,0,0,0,0|1,0,1]=4 4035 B13R0.66 CCCOC(=O)COCCCCCBr 34a_100000746331_200011215008 [0,2,0,0,0,0|1,0,1]=4 4036 B13R0.66 CCCOC(=O)COCCCCCBr 7a_100000746331_200011215008 [0,2,0,0,0,0|1,0,1]=4 4037 B13R0.66 CCCOC(=O)COCCCCCCl 34a_100000746330_200011215008 [0,2,0,0,0,0|1,0,1]=4 4038 B13R0.66 CCCOC(=O)COCCCCCCl 7a_100000746330_200011215008 [0,2,0,0,0,0|1,0,1]=4 4039 B13R0.66 CCCOC(=O)COCCCCCI 34a_200012148887_200011215008 [0,2,0,0,0,0|1,0,1]=4 4040 B13R0.66 CCCOC(=O)COCCCCCI 7a_200012148887_200011215008 [0,2,0,0,0,0|1,0,1]=4 4041 B13R0.66 CCCOC(=O)COCCCCCN 34a_100000762737_200011215008 [0,2,0,0,0,0|1,0,1]=4 4042 B13R0.66 CCCOC(=O)COCCCCOC 34a_100000740925_200011215008 [0,2,0,0,0,0|1,0,1]=4 4043 B13R0.66 CCCOC(=O)COCCCCSC 34a_100011217163_200011215008 [0,2,0,0,0,0|1,0,1]=4 4044 B13R0.66 CCCOC(=O)COCCCCSC 7a_100011217163_200011215008 [0,2,0,0,0,0|1,0,1]=4 4045 B13R0.66 CCCOC(=O)COCCCOCC 34a_100000757476_200011215008 [0,2,0,0,0,0|1,0,1]=4 4046 B13R0.66 CCCOC(=O)COCCCOCC 7a_100000757476_200011215008 [0,2,0,0,0,0|1,0,1]=4 4047 B13R0.66 CCCOC(=O)COCCCSCC 34a_100011216438_200011215008 [0,2,0,0,0,0|1,0,1]=4 4048 B13R0.66 CCCOC(=O)COCCCSCC 7a_100011216438_200011215008 [0,2,0,0,0,0|1,0,1]=4 4049 B13R0.66 CCCOC(=O)COCCSCCC 34a_200000230433_200011215008 [0,2,0,0,0,0|1,0,1]=4 4050 B13R0.66 CCCOC(=O)COCCSCCC 7a_200000230433_200011215008 [0,2,0,0,0,0|1,0,1]=4 4051 B13R0.66 CCCOC(=O)CSCCCCCF 62a_100000729378_200011215008 [0,2,0,0,0,0|1,0,1]=4 4052 B13R0.66 CCCOC(=O)CSCCCCCF 62a_200011215008_100000729378 [0,2,0,0,0,0|1,0,1]=4 4053 B13R0.66 CCCOC(=O)CSCCCCCO 62a_100000746330_200011215008 [0,2,0,0,0,0|1,0,1]=4 4054 B13R0.66 CCCOC(=O)CSCCCCCO 62a_200011215008_100000746330 [0,2,0,0,0,0|1,0,1]=4 4055 B13R0.66 CCCOC(=O)CSCCCCOC 62a_100000730899_200011215008 [0,2,0,0,0,0|1,0,1]=4 4056 B13R0.66 CCCOC(=O)CSCCCCOC 62a_200011215008_100000730899 [0,2,0,0,0,0|1,0,1]=4 4057 B13R0.66 CCCOC(=O)CSCCCOCC 62a_100012232248_200011215008 [0,2,0,0,0,0|1,0,1]=4 4058 B13R0.66 CCCOC(=O)CSCCCOCC 62a_200011215008_100012232248 [0,2,0,0,0,0|1,0,1]=4 4059 B13R0.66 CCCOCCCNC(=O)COCC 1626a_100011217757_100000211967 [0,2,0,0,0,0|1,0,1]=4 4060 B13R0.66 CCCOCCCNC(=O)COCC 240690a_100011217757_100000211967 [0,2,0,0,0,0|1,0,1]=4 4061 B13R0.66 CCCOCCCNC(=O)COCC 527a_100011217757_100000211967 [0,2,0,0,0,0|1,0,1]=4 4062 B13R0.66 CCCOCCNCC(=O)OCCC 2230a_100161115042_200011215008 [0,2,0,0,0,0|1,0,1]=4 4063 B13R0.66 CCCOCCNCC(=O)OCCC 34a_100161115042_200011215008 [0,2,0,0,0,0|1,0,1]=4 4064 B13R0.66 CCCOCCOCC(=O)OCCC 34a_100000752267_200011215008 [0,2,0,0,0,0|1,0,1]=4 4065 B13R0.66 CCCOCCOCC(=O)OCCC 7a_100000752267_200011215008 [0,2,0,0,0,0|1,0,1]=4 4066 B13R0.66 CCCOCCSCC(=O)OCCC 62a_100011215938_200011215008 [0,2,0,0,0,0|1,0,1]=4 4067 B13R0.66 CCCOCCSCC(=O)OCCC 62a_200011215008_100011215938 [0,2,0,0,0,0|1,0,1]=4 4068 B13R0.66 CCOCC(=O)CCCCCCCO 1458a_100000211967_100000760002 [0,2,0,0,0,0|0,0,2]=4 4069 B13R0.66 CCOCC(=O)CCCCCCOC 1458a_100000211967_100011998445 [0,2,0,0,0,0|0,0,2]=4 4070 B13R0.66 CCOCC(=O)NCCCCCCO 240690a_100000686447_100000211967 [0,2,0,0,0,0|1,0,1]=4 4071 B13R0.66 CCOCC(=O)NCCCCCCO 527a_100000686447_100000211967 [0,2,0,0,0,0|1,0,1]=4 4072 B13R0.66 CCOCC(=O)NCCCCCOC 11a_100000747528_100000211967 [0,2,0,0,0,0|1,0,1]=4 4073 B13R0.66 CCOCC(=O)NCCCCCOC 1626a_100000747528_100000211967 [0,2,0,0,0,0|1,0,1]=4 4074 B13R0.66 CCOCC(=O)NCCCCCOC 240690a_100000747528_100000211967 [0,2,0,0,0,0|1,0,1]=4 4075 B13R0.66 CCOCC(=O)NCCCCCOC 527a_100000747528_100000211967 [0,2,0,0,0,0|1,0,1]=4 4076 B13R0.66 CCOCC(=O)NN=CCCCCO 4a_100000216846_100000031955 [0,2,0,0,0,0|2,0,0]=4 4077 B13R0.87 C=CC(C)COC/C=C/C(=O)OCC 34a_100011215527_100016267167 [0,2,0,0,0,0|1,0,0]=3 4078 B13R0.87 C=CC(C)COC/C=C/C(=O)OCC 7a_100011215527_100016267167 [0,2,0,0,0,0|1,0,0]=3 4079 B13R0.87 C=CC(O)CSC/C=C/C(=O)OCC 62a_100000730141_100016267167 [0,2,0,0,0,0|0,0,2]=4 4080 B13R0.87 C=CC(O)CSC/C=C/C(=O)OCC 62a_100016267167_100000730141 [0,2,0,0,0,0|0,0,2]=4 4081 B13R0.87 C=C[C@H](N)COC/C=C/C(=O)OCC 34a_100016989147_100016267167 [0,2,0,0,0,0|0,0,2]=4 4082 B13R0.87 CCOC(=O)/C=C/CNCC(=O)NC 2230a_100000693194_100016267167 [0,2,0,0,0,0|1,0,1]=4 4083 B13R0.87 CCOC(=O)/C=C/CNCC(C)CC 2230a_100020588543_100016267167 [0,2,0,0,0,0|0,0,0]=2 4084 B13R0.87 CCOC(=O)/C=C/CNCC(C)CO 34a_100000744482_100016267167 [0,2,0,0,0,0|1,0,0]=3 4085 B13R0.87 CCOC(=O)/C=C/CNCC(O)CC 2230a_100011218483_100016267167 [0,2,0,0,0,0|0,0,0]=2 4086 B13R0.87 CCOC(=O)/C=C/CNC[C@@H](C)OC 2230a_100020591295_100016267167 [0,2,0,0,0,0|1,0,0]=3 4087 B13R0.87 CCOC(=O)/C=C/CNC[C@@H](F)CO 34a_100015665980_100016267167 [0,2,0,0,0,0|1,0,0]=3 4088 B13R0.87 CCOC(=O)/C=C/CNC[C@H](O)CO 2230a_100020644852_100016267167 [0,2,0,0,0,0|1,0,0]=3 4089 B13R0.87 CCOC(=O)/C=C/COCC(=O)CC 34a_100000725409_100016267167 [0,2,0,0,0,0|0,0,1]=3 4090 B13R0.87 CCOC(=O)/C=C/COCC(=O)NC 34a_100000750040_100016267167 [0,2,0,0,0,0|1,0,1]=4 4091 B13R0.87 CCOC(=O)/C=C/COCC(C)CN 34a_100000744482_100016267167 [0,2,0,0,0,0|1,0,0]=3 4092 B13R0.87 CCOC(=O)/C=C/COCC(C)OC 34a_100000690652_100016267167 [0,2,0,0,0,0|1,0,0]=3 4093 B13R0.87 CCOC(=O)/C=C/COCC(Cl)CCl 34a_100000033668_100016267167 [0,2,0,0,0,0|1,0,0]=3 4094 B13R0.87 CCOC(=O)/C=C/COC[C@@H](C)CC 7a_100009816381_100016267167 [0,2,0,0,0,0|0,0,0]=2 4095 B13R0.87 CCOC(=O)/C=C/COC[C@H](F)CN 34a_100015665980_100016267167 [0,2,0,0,0,0|1,0,0]=3 4096 B13R0.87 CCOC(=O)/C=C/CSCC(=O)CC 62a_100000747405_100016267167 [0,2,0,0,0,0|0,0,1]=3 4097 B13R0.87 CCOC(=O)/C=C/CSCC(=O)CC 62a_100016267167_100000747405 [0,2,0,0,0,0|0,0,1]=3 4098 B13R0.87 CCOC(=O)/C=C/CSCC(=O)NC 62a_100000183359_100016267167 [0,2,0,0,0,0|1,0,1]=4 4099 B13R0.87 CCOC(=O)/C=C/CSCC(=O)NC 62a_100016267167_100000183359 [0,2,0,0,0,0|1,0,1]=4 4100 B13R0.87 CCOC(=O)/C=C/CSCC(=O)OC 62a_100000747449_100016267167 [0,2,0,0,0,0|1,0,1]=4 4101 B13R0.87 CCOC(=O)/C=C/CSCC(=O)OC 62a_100016267167_100000747449 [0,2,0,0,0,0|1,0,1]=4 4102 B13R0.87 CCOC(=O)/C=C/CSCC(C)CC 62a_100000748023_100016267167 [0,2,0,0,0,0|0,0,0]=2 4103 B13R0.87 CCOC(=O)/C=C/CSCC(C)CC 62a_100016267167_100000748023 [0,2,0,0,0,0|0,0,0]=2 4104 B13R0.87 CCOC(=O)/C=C/CSCC(O)CC 62a_100011218378_100016267167 [0,2,0,0,0,0|0,0,0]=2 4105 B13R0.87 CCOC(=O)/C=C/CSCC(O)CC 62a_100016267167_100011218378 [0,2,0,0,0,0|0,0,0]=2 4106 B13R0.87 CCOC(=O)/C=C/CSCC(O)CO 62a_100011219619_100016267167 [0,2,0,0,0,0|1,0,0]=3 4107 B13R0.87 CCOC(=O)/C=C/CSCC(O)CO 62a_100016267167_100011219619 [0,2,0,0,0,0|1,0,0]=3 4108 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CC 62a_100009816398_100016267167 [0,2,0,0,0,0|0,0,0]=2 4109 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CC 62a_100016267167_100009816398 [0,2,0,0,0,0|0,0,0]=2 4110 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CO 62a_100000059175_100016267167 [0,2,0,0,0,0|1,0,0]=3 4111 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CO 62a_100016267167_100000059175 [0,2,0,0,0,0|1,0,0]=3 4112 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](O)CF 62a_100015614560_100016267167 [0,2,0,0,0,0|1,0,0]=3 4113 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](O)CF 62a_100016267167_100015614560 [0,2,0,0,0,0|1,0,0]=3 4114 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](O)CO 62a_100009815848_100016267167 [0,2,0,0,0,0|1,0,0]=3 4115 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](O)CO 62a_100016267167_100009815848 [0,2,0,0,0,0|1,0,0]=3 4116 B13R0.87 CCOC(=O)C=CC=NNC(C)CC 4a_100000718999_100016289910 [0,2,0,0,0,0|1,0,1]=4 4117 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000037472_100000210202 [0,2,0,0,0,0|0,0,2]=4 4118 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000210414_100000755133 [0,2,0,0,0,0|0,0,2]=4 4119 B13R0.87 CCOC(=O)CCCCCN(C)CC 2230a_100000225621_100000755133 [0,2,0,0,0,0|0,0,2]=4 4120 B13R0.87 CCOC(=O)CCCCCN(C)CC 269982a_100000225621_100000755133 [0,2,0,0,0,0|0,0,2]=4 4121 B13R0.87 CCOC(=O)CCCCNC(C)CC 2230a_100000209981_100000750268 [0,2,0,0,0,0|0,0,2]=4 4122 B13R0.87 CCOC(=O)CCCCOC(C)CC 7a_100000210228_100000750268 [0,2,0,0,0,0|0,0,2]=4 4123 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000750268_100000758301 [0,2,0,0,0,0|0,0,2]=4 4124 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000758301_100000750268 [0,2,0,0,0,0|0,0,2]=4 4125 B13R0.87 CCOC(=O)CCCNCC(C)CC 2230a_100020588543_100009991533 [0,2,0,0,0,0|0,0,2]=4 4126 B13R0.87 CCOC(=O)CCCNCC(O)CC 2230a_100011218483_100009991533 [0,2,0,0,0,0|0,0,2]=4 4127 B13R0.87 CCOC(=O)CCCOCC(C)CC 7a_100012001163_100000748023 [0,2,0,0,0,0|0,0,2]=4 4128 B13R0.87 CCOC(=O)CCCOCC(O)CC 7a_100012001163_100011218378 [0,2,0,0,0,0|0,0,2]=4 4129 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100009816381_100011215271 [0,2,0,0,0,0|0,0,2]=4 4130 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100012001163_100009816398 [0,2,0,0,0,0|0,0,2]=4 4131 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100000748023_100009991533 [0,2,0,0,0,0|0,0,2]=4 4132 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100009991533_100000748023 [0,2,0,0,0,0|0,0,2]=4 4133 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100009991533_100011218378 [0,2,0,0,0,0|0,0,2]=4 4134 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100011218378_100009991533 [0,2,0,0,0,0|0,0,2]=4 4135 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009816398_100009991533 [0,2,0,0,0,0|0,0,2]=4 4136 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009991533_100009816398 [0,2,0,0,0,0|0,0,2]=4 4137 B13R0.87 CCOC(=O)CCNCCC(C)CC 2230a_100020591266_100011206558 [0,2,0,0,0,0|0,0,2]=4 4138 B13R0.87 CCOC(=O)CCOCCC(C)CC 7a_100011215188_100011206558 [0,2,0,0,0,0|0,0,2]=4 4139 B13R0.87 CCOC(=O)COCCCC(=O)CC 1458a_100000210414_100009893628 [0,2,0,0,0,0|1,0,1]=4 4140 B13R0.87 CCOC(=O)COCCCC(C)CC 7a_100011216074_100000188475 [0,2,0,0,0,0|0,0,2]=4 4141 B13R0.87 CCOC(=O)COCCCN(C)CC 2230a_100000225621_100009893628 [0,2,0,0,0,0|1,0,1]=4 4142 B13R0.87 CCOC(=O)COCCCN(C)CC 269982a_100000225621_100009893628 [0,2,0,0,0,0|1,0,1]=4 4143 B13R0.87 CCOC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000188475 [0,2,0,0,0,0|1,0,1]=4 4144 B13R0.87 CCOC(=O)COCCNC(C)CC 2230a_100000209981_100000088970 [0,2,0,0,0,0|1,0,1]=4 4145 B13R0.87 CCOC(=O)COCCOC(C)CC 7a_100000210228_100000088970 [0,2,0,0,0,0|1,0,1]=4 4146 B13R0.87 CCOC(=O)COCCSC(C)CC 62a_100000088970_100000758301 [0,2,0,0,0,0|1,0,1]=4 4147 B13R0.87 CCOC(=O)COCCSC(C)CC 62a_100000758301_100000088970 [0,2,0,0,0,0|1,0,1]=4 4148 B13R0.87 CCOC(=O)CSCCCN(C)CC 62a_100000188475_100015186262 [0,2,0,0,0,0|1,0,1]=4 4149 B13R0.87 CCOC(=O)CSCCOC(C)CC 7a_200000230590_100000758301 [0,2,0,0,0,0|1,0,1]=4 4150 B13R0.87 CCOC(=O)NCCOCC(C)CC 34a_100000158857_100000748023 [0,2,0,0,0,0|1,0,1]=4 4151 B13R0.87 CCOC(=O)NCCOCC(O)CC 34a_100000158857_100011218378 [0,2,0,0,0,0|1,0,1]=4 4152 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CC 34a_100000158857_100009816398 [0,2,0,0,0,0|1,0,1]=4 4153 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CC 7a_100009816381_200011445536 [0,2,0,0,0,0|1,0,1]=4 4154 B13R0.87 CCOC(=O)NCCSCC(C)CC 62a_100000748023_200011445536 [0,2,0,0,0,0|1,0,1]=4 4155 B13R0.87 CCOC(=O)NCCSCC(O)CC 62a_100011218378_200011445536 [0,2,0,0,0,0|1,0,1]=4 4156 B13R0.87 CCOC(=O)NCCSC[C@@H](C)CC 62a_100009816398_200011445536 [0,2,0,0,0,0|1,0,1]=4 4157 B13R0.87 CCOC(=O)NN=CCSC(C)CC 62a_100000758301_100015372823 [0,2,0,0,0,0|2,0,0]=4 4158 B13R0.87 CCOC(=O)[CH-]C=NNCC(O)CC 4a_100015206393_100010622808 [0,2,0,0,0,0|1,0,1]=4 4159 B13R0.88 C=C(Br)CCOC/C=C/C(=O)OCC 34a_100009813270_100016267167 [0,2,0,0,0,0|0,0,2]=4 4160 B13R0.88 C=C(C)CCOC/C=C/C(=O)OCC 34a_100000764851_100016267167 [0,2,0,0,0,0|0,0,1]=3 4161 B13R0.88 C=C(C)CCSC/C=C/C(=O)OCC 62a_100000730704_100016267167 [0,2,0,0,0,0|0,0,1]=3 4162 B13R0.88 C=C(C)CCSC/C=C/C(=O)OCC 62a_100016267167_100000730704 [0,2,0,0,0,0|0,0,1]=3 4163 B13R0.88 CCOC(=O)/C=C/CNCC=C(C)C 34a_100000718196_100016267167 [0,2,0,0,0,0|0,0,2]=4 4164 B13R0.88 CCOC(=O)/C=C/CNCCC(C)O 2230a_200000755665_100016267167 [0,2,0,0,0,0|0,0,0]=2 4165 B13R0.88 CCOC(=O)/C=C/COCC=C(C)C 34a_100000753907_100016267167 [0,2,0,0,0,0|0,0,2]=4 4166 B13R0.88 CCOC(=O)/C=C/COCCC(=O)C 34a_100000759926_100016267167 [0,2,0,0,0,0|0,0,1]=3 4167 B13R0.88 CCOC(=O)/C=C/COCCC(=O)C 7a_100000759926_100016267167 [0,2,0,0,0,0|0,0,1]=3 4168 B13R0.88 CCOC(=O)/C=C/COCCC(=O)N 34a_100000757172_100016267167 [0,2,0,0,0,0|1,0,1]=4 4169 B13R0.88 CCOC(=O)/C=C/COCCC(=O)N 7a_100000757172_100016267167 [0,2,0,0,0,0|1,0,1]=4 4170 B13R0.88 CCOC(=O)/C=C/COCCC(C)Br 34a_100009893172_100016267167 [0,2,0,0,0,0|0,0,0]=2 4171 B13R0.88 CCOC(=O)/C=C/COCCC(C)C 34a_100000210254_100016267167 [0,2,0,0,0,0|0,0,0]=2 4172 B13R0.88 CCOC(=O)/C=C/COCCC(C)C 7a_100000210254_100016267167 [0,2,0,0,0,0|0,0,0]=2 4173 B13R0.88 CCOC(=O)/C=C/COCCC(F)F 34a_100103093639_100016267167 [0,2,0,0,0,0|1,0,0]=3 4174 B13R0.88 CCOC(=O)/C=C/COCC[C@@H](C)N 34a_100000706166_100016267167 [0,2,0,0,0,0|0,0,0]=2 4175 B13R0.88 CCOC(=O)/C=C/CSCC=C(C)C 62a_100000761012_100016267167 [0,2,0,0,0,0|0,0,2]=4 4176 B13R0.88 CCOC(=O)/C=C/CSCC=C(C)C 62a_100016267167_100000761012 [0,2,0,0,0,0|0,0,2]=4 4177 B13R0.88 CCOC(=O)/C=C/CSCCC(=O)C 62a_100000053229_100016267167 [0,2,0,0,0,0|0,0,1]=3 4178 B13R0.88 CCOC(=O)/C=C/CSCCC(=O)C 62a_100016267167_100000053229 [0,2,0,0,0,0|0,0,1]=3 4179 B13R0.88 CCOC(=O)/C=C/CSCCC(=O)N 62a_100000744528_100016267167 [0,2,0,0,0,0|1,0,1]=4 4180 B13R0.88 CCOC(=O)/C=C/CSCCC(=O)N 62a_100016267167_100000744528 [0,2,0,0,0,0|1,0,1]=4 4181 B13R0.88 CCOC(=O)/C=C/CSCCC(C)C 62a_100000210312_100016267167 [0,2,0,0,0,0|0,0,0]=2 4182 B13R0.88 CCOC(=O)/C=C/CSCCC(C)C 62a_100016267167_100000210312 [0,2,0,0,0,0|0,0,0]=2 4183 B13R0.88 CCOC(=O)/C=C/CSCCC(C)O 62a_100012276601_100016267167 [0,2,0,0,0,0|0,0,0]=2 4184 B13R0.88 CCOC(=O)/C=C/CSCCC(C)O 62a_100016267167_100012276601 [0,2,0,0,0,0|0,0,0]=2 4185 B13R0.88 CCOC(=O)/C=C/CSCCN(C)C 62a_100016267167_100000755713 [0,2,0,0,0,0|1,0,0]=3 4186 B13R0.88 CCOC(=O)/C=C/CSCOC(=O)C 62a_100000076356_100016267167 [0,2,0,0,0,0|1,0,1]=4 4187 B13R0.88 CCOC(=O)/C=C/CSCOC(=O)C 62a_100016267167_100000076356 [0,2,0,0,0,0|1,0,1]=4 4188 B13R0.88 CCOC(=O)/C=C/CSCOC(C)C 62a_100000709892_100016267167 [0,2,0,0,0,0|1,0,0]=3 4189 B13R0.88 CCOC(=O)/C=C/CSCOC(C)C 62a_100016267167_100000709892 [0,2,0,0,0,0|1,0,0]=3 4190 B13R0.88 CCOC(=O)C=CC=NNCC(C)O 4a_200000730056_100016289910 [0,2,0,0,0,0|1,0,1]=4 4191 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [0,2,0,0,0,0|0,0,2]=4 4192 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [0,2,0,0,0,0|0,0,2]=4 4193 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [0,2,0,0,0,0|0,0,2]=4 4194 B13R0.88 CCOC(=O)CCCCCCN(C)C 2230a_100102631434_100009814379 [0,2,0,0,0,0|0,0,2]=4 4195 B13R0.88 CCOC(=O)CCCCCCN(C)C 269982a_100102631434_100009814379 [0,2,0,0,0,0|0,0,2]=4 4196 B13R0.88 CCOC(=O)CCCCCNC(C)C 2230a_100138425928_100000755133 [0,2,0,0,0,0|0,0,2]=4 4197 B13R0.88 CCOC(=O)CCCCCNC(C)C 34a_100138425928_100000755133 [0,2,0,0,0,0|0,0,2]=4 4198 B13R0.88 CCOC(=O)CCCCCOC(C)C 34a_100000212225_100000755133 [0,2,0,0,0,0|0,0,2]=4 4199 B13R0.88 CCOC(=O)CCCCCOC(C)C 7a_100011214988_100000210206 [0,2,0,0,0,0|0,0,2]=4 4200 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000210206_100000755133 [0,2,0,0,0,0|0,0,2]=4 4201 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000755133_100000210206 [0,2,0,0,0,0|0,0,2]=4 4202 B13R0.88 CCOC(=O)CCCCNCC(C)C 2230a_100000210953_100000750268 [0,2,0,0,0,0|0,0,2]=4 4203 B13R0.88 CCOC(=O)CCCCNCC(C)C 34a_100000210953_100000750268 [0,2,0,0,0,0|0,0,2]=4 4204 B13R0.88 CCOC(=O)CCCCNCC(C)O 2230a_100000210904_100000750268 [0,2,0,0,0,0|0,0,2]=4 4205 B13R0.88 CCOC(=O)CCCCNCC(C)O 34a_100000210904_100000750268 [0,2,0,0,0,0|0,0,2]=4 4206 B13R0.88 CCOC(=O)CCCCOCC(C)Br 34a_100012180447_100000750268 [0,2,0,0,0,0|0,0,2]=4 4207 B13R0.88 CCOC(=O)CCCCOCC(C)C 34a_100000210257_100000750268 [0,2,0,0,0,0|0,0,2]=4 4208 B13R0.88 CCOC(=O)CCCCOCC(C)F 34a_100015925927_100000750268 [0,2,0,0,0,0|0,0,2]=4 4209 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000750268 [0,2,0,0,0,0|0,0,2]=4 4210 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000750268 [0,2,0,0,0,0|0,0,2]=4 4211 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000210624_100000750268 [0,2,0,0,0,0|0,0,2]=4 4212 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000750268_100000210760 [0,2,0,0,0,0|0,0,2]=4 4213 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100000750268_100011218427 [0,2,0,0,0,0|0,0,2]=4 4214 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100011218427_100000750268 [0,2,0,0,0,0|0,0,2]=4 4215 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100000750268_100009817552 [0,2,0,0,0,0|0,0,2]=4 4216 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000750268 [0,2,0,0,0,0|0,0,2]=4 4217 B13R0.88 CCOC(=O)CCCNCCC(C)O 2230a_200000755665_100009991533 [0,2,0,0,0,0|0,0,2]=4 4218 B13R0.88 CCOC(=O)CCCOCCC(C)Br 34a_100009893172_100009991533 [0,2,0,0,0,0|0,0,2]=4 4219 B13R0.88 CCOC(=O)CCCOCCC(C)C 34a_100000210254_100009991533 [0,2,0,0,0,0|0,0,2]=4 4220 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100000210254_100011215271 [0,2,0,0,0,0|0,0,2]=4 4221 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100012001163_100000210626 [0,2,0,0,0,0|0,0,2]=4 4222 B13R0.88 CCOC(=O)CCCOCCC(C)O 7a_100012001163_100012276601 [0,2,0,0,0,0|0,0,2]=4 4223 B13R0.88 CCOC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100009991533 [0,2,0,0,0,0|0,0,2]=4 4224 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100000210312_100009991533 [0,2,0,0,0,0|0,0,2]=4 4225 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100009991533_100000210312 [0,2,0,0,0,0|0,0,2]=4 4226 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100009991533_100012276601 [0,2,0,0,0,0|0,0,2]=4 4227 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100012276601_100009991533 [0,2,0,0,0,0|0,0,2]=4 4228 B13R0.88 CCOC(=O)CCNCCCC(C)C 2230a_200000737386_100011206558 [0,2,0,0,0,0|0,0,2]=4 4229 B13R0.88 CCOC(=O)CCNCCCC(C)C 34a_200000737386_100000765890 [0,2,0,0,0,0|0,0,2]=4 4230 B13R0.88 CCOC(=O)CCOCCCC(C)C 34a_100000210774_100000765890 [0,2,0,0,0,0|0,0,2]=4 4231 B13R0.88 CCOC(=O)CCOCCCC(C)C 7a_100000210774_100011206558 [0,2,0,0,0,0|0,0,2]=4 4232 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100000765890_100011214892 [0,2,0,0,0,0|0,0,2]=4 4233 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100011214892_100000765890 [0,2,0,0,0,0|0,0,2]=4 4234 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_100000765890_200000718107 [0,2,0,0,0,0|0,0,2]=4 4235 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_200000718107_100000765890 [0,2,0,0,0,0|0,0,2]=4 4236 B13R0.88 CCOC(=O)CNCCCOC(C)C 2230a_100000737246_100000188475 [0,2,0,0,0,0|1,0,1]=4 4237 B13R0.88 CCOC(=O)CNCCCOC(C)C 34a_100000737246_100000188475 [0,2,0,0,0,0|1,0,1]=4 4238 B13R0.88 CCOC(=O)COCCCCC(C)C 34a_100011214890_100000188475 [0,2,0,0,0,0|0,0,2]=4 4239 B13R0.88 CCOC(=O)COCCCCC(C)C 7a_100011214890_100000188475 [0,2,0,0,0,0|0,0,2]=4 4240 B13R0.88 CCOC(=O)COCCCNC(C)C 2230a_100138425928_100009893628 [0,2,0,0,0,0|1,0,1]=4 4241 B13R0.88 CCOC(=O)COCCCNC(C)C 34a_100000182298_100000188475 [0,2,0,0,0,0|1,0,1]=4 4242 B13R0.88 CCOC(=O)COCCCNC(C)C 34a_100138425928_100009893628 [0,2,0,0,0,0|1,0,1]=4 4243 B13R0.88 CCOC(=O)COCCCOC(C)C 34a_100000212225_100009893628 [0,2,0,0,0,0|1,0,1]=4 4244 B13R0.88 CCOC(=O)COCCCSC(C)C 62a_100000210206_100009893628 [0,2,0,0,0,0|1,0,1]=4 4245 B13R0.88 CCOC(=O)COCCCSC(C)C 62a_100009893628_100000210206 [0,2,0,0,0,0|1,0,1]=4 4246 B13R0.88 CCOC(=O)COCCNCC(C)C 2230a_100000210953_100000088970 [0,2,0,0,0,0|1,0,1]=4 4247 B13R0.88 CCOC(=O)COCCNCC(C)C 34a_100000210953_100000088970 [0,2,0,0,0,0|1,0,1]=4 4248 B13R0.88 CCOC(=O)COCCNCC(C)C 34a_100015185251_100000188475 [0,2,0,0,0,0|1,0,1]=4 4249 B13R0.88 CCOC(=O)COCCNCC(C)O 2230a_100000210904_100000088970 [0,2,0,0,0,0|1,0,1]=4 4250 B13R0.88 CCOC(=O)COCCNCC(C)O 34a_100000210904_100000088970 [0,2,0,0,0,0|1,0,1]=4 4251 B13R0.88 CCOC(=O)COCCOCC(C)Br 34a_100012180447_100000088970 [0,2,0,0,0,0|1,0,1]=4 4252 B13R0.88 CCOC(=O)COCCOCC(C)C 34a_100000210257_100000088970 [0,2,0,0,0,0|1,0,1]=4 4253 B13R0.88 CCOC(=O)COCCOCC(C)C 34a_100000703358_100000188475 [0,2,0,0,0,0|1,0,1]=4 4254 B13R0.88 CCOC(=O)COCCOCC(C)C 7a_100000703358_100000188475 [0,2,0,0,0,0|1,0,1]=4 4255 B13R0.88 CCOC(=O)COCCOCC(C)F 34a_100015925927_100000088970 [0,2,0,0,0,0|1,0,1]=4 4256 B13R0.88 CCOC(=O)COCCOC[C@@H](C)Cl 34a_100016084084_100000088970 [0,2,0,0,0,0|1,0,1]=4 4257 B13R0.88 CCOC(=O)COCCOC[C@@H](C)N 34a_100000737577_100000088970 [0,2,0,0,0,0|1,0,1]=4 4258 B13R0.88 CCOC(=O)COCCSCC(C)C 34a_200000230437_100000188475 [0,2,0,0,0,0|1,0,1]=4 4259 B13R0.88 CCOC(=O)COCCSCC(C)C 62a_100000088970_100000210760 [0,2,0,0,0,0|1,0,1]=4 4260 B13R0.88 CCOC(=O)COCCSCC(C)C 62a_100000210624_100000088970 [0,2,0,0,0,0|1,0,1]=4 4261 B13R0.88 CCOC(=O)COCCSCC(C)C 7a_200000230437_100000188475 [0,2,0,0,0,0|1,0,1]=4 4262 B13R0.88 CCOC(=O)COCCSCC(C)O 62a_100000088970_100011218427 [0,2,0,0,0,0|1,0,1]=4 4263 B13R0.88 CCOC(=O)COCCSCC(C)O 62a_100011218427_100000088970 [0,2,0,0,0,0|1,0,1]=4 4264 B13R0.88 CCOC(=O)COCCSC[C@@H](C)O 62a_100000088970_100009817552 [0,2,0,0,0,0|1,0,1]=4 4265 B13R0.88 CCOC(=O)COCCSC[C@@H](C)O 62a_100009817552_100000088970 [0,2,0,0,0,0|1,0,1]=4 4266 B13R0.88 CCOC(=O)CSCCCCC(=O)C 62a_100000188475_100000735457 [0,2,0,0,0,0|1,0,1]=4 4267 B13R0.88 CCOC(=O)CSCCCCC(=O)C 62a_100000735457_100000188475 [0,2,0,0,0,0|1,0,1]=4 4268 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100000188475_100011216152 [0,2,0,0,0,0|0,0,2]=4 4269 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100011216152_100000188475 [0,2,0,0,0,0|0,0,2]=4 4270 B13R0.88 CCOC(=O)CSCCCCN(C)C 62a_100000188475_100000690147 [0,2,0,0,0,0|1,0,1]=4 4271 B13R0.88 CCOC(=O)CSCCOCC(C)C 7a_200000230590_100000210760 [0,2,0,0,0,0|1,0,1]=4 4272 B13R0.88 CCOC(=O)CSCCOCC(C)O 7a_200000230590_100011218427 [0,2,0,0,0,0|1,0,1]=4 4273 B13R0.88 CCOC(=O)CSCCOC[C@@H](C)O 7a_200000230590_100009817552 [0,2,0,0,0,0|1,0,1]=4 4274 B13R0.88 CCOC(=O)NCCOCCC(C)C 34a_100000158857_100000210312 [0,2,0,0,0,0|1,0,1]=4 4275 B13R0.88 CCOC(=O)NCCOCCC(C)C 7a_100000210254_200011445536 [0,2,0,0,0,0|1,0,1]=4 4276 B13R0.88 CCOC(=O)NCCOCCC(C)O 34a_100000158857_100012276601 [0,2,0,0,0,0|1,0,1]=4 4277 B13R0.88 CCOC(=O)NCCSCCC(C)C 62a_100000210312_200011445536 [0,2,0,0,0,0|1,0,1]=4 4278 B13R0.88 CCOC(=O)NCCSCCC(C)O 62a_100012276601_200011445536 [0,2,0,0,0,0|1,0,1]=4 4279 B13R0.88 CCOC(=O)NN=CCSCC(C)C 62a_100000210624_100015372823 [0,2,0,0,0,0|2,0,0]=4 4280 B13R0.88 CCOC(=O)NN=CCSCC(C)O 62a_100011218427_100015372823 [0,2,0,0,0,0|2,0,0]=4 4281 B13R0.88 CCOC(=O)NN=CCSC[C@@H](C)O 62a_100009817552_100015372823 [0,2,0,0,0,0|2,0,0]=4 4282 B13R0.88 CCOC(=O)OCSCCCC(C)C 62a_100011214892_100000075025 [0,2,0,0,0,0|1,0,1]=4 4283 B13R0.88 CCOC(=O)OCSCCCC(C)O 62a_200000718107_100000075025 [0,2,0,0,0,0|1,0,1]=4 4284 B13R0.175 C=CCCN(C)C/C=C/C(=O)OCC 2230a_100020639649_100016267167 [0,2,0,0,0,0|0,0,2]=4 4285 B13R0.175 C=CCCN(C)C/C=C/C(=O)OCC 269982a_100020639649_100016267167 [0,2,0,0,0,0|0,0,2]=4 4286 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210183_100011215271 [0,2,0,0,0,0|0,0,2]=4 4287 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210211 [0,2,0,0,0,0|0,0,2]=4 4288 B13R0.175 CCCCC(=O)CCNC(=O)OCC 1458a_100000210183_200011445536 [0,2,0,0,0,0|1,0,1]=4 4289 B13R0.175 CCCCC(=O)NN=CC(=O)OCC 4a_100000189769_100000742314 [0,2,0,0,0,0|1,0,1]=4 4290 B13R0.175 CCCCC(C)COCC(=O)OCC 34a_100011995851_100000188475 [0,2,0,0,0,0|0,0,2]=4 4291 B13R0.175 CCCCC(C)COCC(=O)OCC 7a_100011995851_100000188475 [0,2,0,0,0,0|0,0,2]=4 4292 B13R0.175 CCCCC(C)NCCC(=O)OCC 2230a_100000126638_100011206558 [0,2,0,0,0,0|0,0,2]=4 4293 B13R0.175 CCCCC(C)OCCC(=O)OCC 34a_100000687866_100000765890 [0,2,0,0,0,0|0,0,2]=4 4294 B13R0.175 CCCCC(C)OCCC(=O)OCC 7a_100000687866_100011206558 [0,2,0,0,0,0|0,0,2]=4 4295 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_100000765890_200011215066 [0,2,0,0,0,0|0,0,2]=4 4296 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_200011215066_100000765890 [0,2,0,0,0,0|0,0,2]=4 4297 B13R0.175 CCCCC(C)SCOC(=O)OCC 62a_200011215066_100000075025 [0,2,0,0,0,0|1,0,1]=4 4298 B13R0.175 CCCCN(C)C/C=C/C(=O)OCC 2230a_100000207549_100016267167 [0,2,0,0,0,0|0,0,0]=2 4299 B13R0.175 CCCCN(C)C/C=C/C(=O)OCC 269982a_100000207549_100016267167 [0,2,0,0,0,0|0,0,0]=2 4300 B13R0.175 CCCCN(C)CCCC(=O)OCC 2230a_100000207549_100009991533 [0,2,0,0,0,0|0,0,2]=4 4301 B13R0.175 CCCCN(C)CCCC(=O)OCC 269982a_100000207549_100009991533 [0,2,0,0,0,0|0,0,2]=4 4302 B13R0.175 CCCCN(C)CCNC(=O)OCC 269982a_100000207549_200011445536 [0,2,0,0,0,0|1,0,1]=4 4303 B13R0.175 CCCC[C@H](N)COCC(=O)OCC 34a_100011934283_100000188475 [0,2,0,0,0,0|0,0,2]=4 4304 B13R0.175 CCCOC(=O)COCC(C)CCC 34a_100000688023_200011215008 [0,2,0,0,0,0|1,0,1]=4 4305 B13R0.175 CCCOC(=O)COCC(C)CCC 7a_100000688023_200011215008 [0,2,0,0,0,0|1,0,1]=4 4306 B13R0.175 CCCOC(=O)COC[C@@H](N)CCC 34a_100000732646_200011215008 [0,2,0,0,0,0|1,0,1]=4 4307 B13R0.175 CCCOC(=O)CSCC(C)CCC 62a_100011216630_200011215008 [0,2,0,0,0,0|1,0,1]=4 4308 B13R0.175 CCCOC(=O)CSCC(C)CCC 62a_200011215008_100011216630 [0,2,0,0,0,0|1,0,1]=4 4309 B13R0.175 CCCOC(C)CNCC(=O)OCC 2230a_100015185124_100000188475 [0,2,0,0,0,0|1,0,1]=4 4310 B13R0.175 CCCOC(C)CNCC(=O)OCC 34a_100015185124_100000188475 [0,2,0,0,0,0|1,0,1]=4 4311 B13R0.175 CCOC(=O)/C=C/CN(C)CCC#N 2230a_100000184479_100016267167 [0,2,0,0,0,0|1,0,1]=4 4312 B13R0.175 CCOC(=O)/C=C/CN(C)CCCO 2230a_100000213112_100016267167 [0,2,0,0,0,0|1,0,0]=3 4313 B13R0.175 CCOC(=O)/C=C/CN(C)CCCO 269982a_100000213112_100016267167 [0,2,0,0,0,0|1,0,0]=3 4314 B13R0.175 CCOC(=O)/C=C/CN(C)CCOC 2230a_100000743101_100016267167 [0,2,0,0,0,0|1,0,0]=3 4315 B13R0.175 CCOC(=O)/C=C/CN(C)CCOC 269982a_100000743101_100016267167 [0,2,0,0,0,0|1,0,0]=3 4316 B13R0.175 CCOC(=O)/C=C/CN(C)CCSC 2230a_100000686725_100016267167 [0,2,0,0,0,0|1,0,0]=3 4317 B13R0.175 CCOC(=O)/C=C/CN(C)CCSC 269982a_100000686725_100016267167 [0,2,0,0,0,0|1,0,0]=3 4318 B13R0.175 CCOC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000188475 [0,2,0,0,0,0|1,0,1]=4 4319 B13R0.175 CCOC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000188475 [0,2,0,0,0,0|1,0,1]=4 4320 B13R0.175 CCOC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000188475 [0,2,0,0,0,0|1,0,1]=4 4321 B13R0.175 CCOCC(O)CNCC(=O)OCC 2230a_102515437182_100000188475 [0,2,0,0,0,0|1,0,1]=4 4322 B13R0.175 CCOCC(O)CNCC(=O)OCC 34a_102515437182_100000188475 [0,2,0,0,0,0|1,0,1]=4 4323 B13R0.193 C#CCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000731252 [0,2,0,0,0,0|0,0,2]=4 4324 B13R0.193 C=CCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000757094 [0,2,0,0,0,0|0,0,2]=4 4325 B13R0.193 CC/C=C\CC(=O)C=CC(=O)OCC 1458a_100000210415_100103147603 [0,2,0,0,0,0|0,0,2]=4 4326 B13R0.193 CCC#CCC(=O)C=CC(=O)OCC 1458a_100000210415_100009813939 [0,2,0,0,0,0|0,0,2]=4 4327 B13R0.193 CCCCCC(=NNC(=O)CCC)C 4a_100000189770_100000211708 [0,2,0,0,0,0|2,0,0]=4 4328 B13R0.193 CCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210326 [0,2,0,0,0,0|0,0,0]=2 4329 B13R0.193 CCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210326 [0,2,0,0,0,0|1,0,1]=4 4330 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [0,2,0,0,0,0|0,0,1]=3 4331 B13R0.193 CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210326 [0,2,0,0,0,0|0,0,1]=3 4332 B13R0.193 CCCCCC(=O)COC(=O)CCC 1458a_100000212188_100000034017 [0,2,0,0,0,0|1,0,1]=4 4333 B13R0.193 CCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000212188 [0,2,0,0,0,0|1,0,1]=4 4334 B13R0.193 CCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000212188 [0,2,0,0,0,0|1,0,1]=4 4335 B13R0.193 CCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000212188 [0,2,0,0,0,0|1,0,1]=4 4336 B13R0.193 CCCCCC(=O)NCC(=O)NCC 527a_100016988866_100000212188 [0,2,0,0,0,0|1,0,1]=4 4337 B13R0.193 CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000212188 [0,2,0,0,0,0|0,0,1]=3 4338 B13R0.193 CCCCCC(=O)NNC(=O)CCC 22a_100000189770_100000212188 [0,2,0,0,0,0|2,0,0]=4 4339 B13R0.193 CCCCCC(=O)NNC(=O)CCC 22a_100000189784_100000211992 [0,2,0,0,0,0|2,0,0]=4 4340 B13R0.193 CCCCCC(=O)NNC(=O)NCC 273464a_100015525214_100000189784 [0,2,0,0,0,0|2,0,0]=4 4341 B13R0.193 CCCCCC(=O)NNC(=O)NCC 512a_100000189784_100015525214 [0,2,0,0,0,0|2,0,0]=4 4342 B13R0.193 CCCCCC(=O)NNC(=O)NCC 512a_100015525214_100000189784 [0,2,0,0,0,0|2,0,0]=4 4343 B13R0.193 CCCCCC(C)NCC(=O)OCC 2230a_100000211957_100000188475 [0,2,0,0,0,0|0,0,2]=4 4344 B13R0.193 CCCCCC(C)OCC(=O)OCC 34a_100011215632_100000188475 [0,2,0,0,0,0|0,0,2]=4 4345 B13R0.193 CCCCCC(C)OCC(=O)OCC 7a_100011215632_100000188475 [0,2,0,0,0,0|0,0,2]=4 4346 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218191 [0,2,0,0,0,0|0,0,2]=4 4347 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_200011218191_100000188475 [0,2,0,0,0,0|0,0,2]=4 4348 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000223495_100011206558 [0,2,0,0,0,0|0,0,2]=4 4349 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210326 [0,2,0,0,0,0|0,0,2]=4 4350 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000223495_100011206558 [0,2,0,0,0,0|0,0,2]=4 4351 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210215 [0,2,0,0,0,0|0,0,2]=4 4352 B13R0.193 CCCCNC(=O)C=CC(=O)OCC 1626a_100000102301_100000210415 [0,2,0,0,0,0|0,0,1]=3 4353 B13R0.193 CCCCNC(=O)C=CC(=O)OCC 240690a_100000102301_100000210415 [0,2,0,0,0,0|0,0,1]=3 4354 B13R0.193 CCCCNC(=O)CCC(=O)OCC 11a_100000102301_100000183558 [0,2,0,0,0,0|1,0,1]=4 4355 B13R0.193 CCCCNC(=O)CCC(=O)OCC 1626a_100000102301_100000183558 [0,2,0,0,0,0|1,0,1]=4 4356 B13R0.193 CCCCNC(=O)CCC(=O)OCC 240690a_100000102301_100000183558 [0,2,0,0,0,0|1,0,1]=4 4357 B13R0.193 CCCCNC(=O)CNC(=O)OCC 11a_100000102301_100000190774 [0,2,0,0,0,0|1,0,1]=4 4358 B13R0.193 CCCCNC(=O)CNC(=O)OCC 1626a_100000102301_100000190774 [0,2,0,0,0,0|1,0,1]=4 4359 B13R0.193 CCCCNC(=O)CNC(=O)OCC 240690a_100000102301_100000190774 [0,2,0,0,0,0|1,0,1]=4 4360 B13R0.193 CCCCNC(=O)CNC(=O)OCC 527a_100000102301_100000190774 [0,2,0,0,0,0|1,0,1]=4 4361 B13R0.193 CCCCNC(C)CCC(=O)OCC 2230a_100000102301_100000748298 [0,2,0,0,0,0|0,0,2]=4 4362 B13R0.193 CCCCNC(C)CCC(=O)OCC 7a_106832991798_100000748298 [0,2,0,0,0,0|0,0,2]=4 4363 B13R0.193 CCCCOC(=O)C=CC(=O)NCC 240690a_100015525214_100015195251 [0,2,0,0,0,0|1,0,1]=4 4364 B13R0.193 CCCCOC(C)CCC(=O)OCC 34a_100000210227_100000748298 [0,2,0,0,0,0|0,0,2]=4 4365 B13R0.193 CCCCOC(C)CCC(=O)OCC 7a_100000210227_100000748298 [0,2,0,0,0,0|0,0,2]=4 4366 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000210211_100000748298 [0,2,0,0,0,0|0,0,2]=4 4367 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210210 [0,2,0,0,0,0|0,0,2]=4 4368 B13R0.193 CCCNN=C(C)C=CC(=O)OCC 4a_100000740057_200016282221 [0,2,0,0,0,0|1,0,1]=4 4369 B13R0.193 CCCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000745993 [0,2,0,0,0,0|1,0,1]=4 4370 B13R0.193 CCCOCC(=O)NCC(=O)OCC 34a_100000210258_100011215850 [0,2,0,0,0,0|1,0,1]=4 4371 B13R0.193 CCCSCC(=O)NCC(=O)OCC 188690a_100000741813_100000217233 [0,2,0,0,0,0|1,0,1]=4 4372 B13R0.193 CCCSCC(=O)NCC(=O)OCC 62a_100000210303_100011215850 [0,2,0,0,0,0|1,0,1]=4 4373 B13R0.193 CCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210303 [0,2,0,0,0,0|1,0,1]=4 4374 B13R0.193 CCOC(=O)C=CC(=O)CCCC#N 1458a_100000210415_100000211468 [0,2,0,0,0,0|0,0,2]=4 4375 B13R0.193 CCOC(=O)C=CC(=O)CCCCF 1458a_100000210415_100000729493 [0,2,0,0,0,0|0,0,1]=3 4376 B13R0.193 CCOC(=O)C=CC(=O)CCCCO 1458a_100000210415_100000210776 [0,2,0,0,0,0|0,0,1]=3 4377 B13R0.193 CCOC(=O)C=CC(=O)CCCOC 1458a_100000210415_100000740836 [0,2,0,0,0,0|0,0,1]=3 4378 B13R0.193 CCOC(=O)C=CC(=O)CCSCC 1458a_100000210415_100000757381 [0,2,0,0,0,0|0,0,1]=3 4379 B13R0.193 CCOC(=O)C=CC(=O)NCCCF 1626a_100015189416_100000210415 [0,2,0,0,0,0|1,0,1]=4 4380 B13R0.193 CCOC(=O)C=CC(=O)NCCCF 240690a_100015189416_100000210415 [0,2,0,0,0,0|1,0,1]=4 4381 B13R0.193 CCOC(=O)C=CC(=O)NCCCO 240690a_100000182051_100000210415 [0,2,0,0,0,0|1,0,1]=4 4382 B13R0.193 CCOC(=O)C=CC(=O)NCCOC 1626a_100000209980_100000210415 [0,2,0,0,0,0|1,0,1]=4 4383 B13R0.193 CCOC(=O)C=CC(=O)NCCOC 240690a_100000209980_100000210415 [0,2,0,0,0,0|1,0,1]=4 4384 B13R0.193 CCOC(=O)C=CC(=O)NCCSC 1626a_100020590264_100000210415 [0,2,0,0,0,0|1,0,1]=4 4385 B13R0.193 CCOC(=O)C=CC(=O)NCCSC 240690a_100020590264_100000210415 [0,2,0,0,0,0|1,0,1]=4 4386 B13R0.193 CCOC(=O)CCC(=O)CCCCF 1458a_100000183558_100000729493 [0,2,0,0,0,0|1,0,1]=4 4387 B13R0.193 CCOC(=O)CCC(=O)CCCCO 1458a_100000183558_100000210776 [0,2,0,0,0,0|1,0,1]=4 4388 B13R0.193 CCOC(=O)CCC(=O)CCCOC 1458a_100000183558_100000740836 [0,2,0,0,0,0|1,0,1]=4 4389 B13R0.193 CCOC(=O)CCC(=O)CCSCC 1458a_100000183558_100000757381 [0,2,0,0,0,0|1,0,1]=4 4390 B13R0.193 CCOC(=O)CNC(=O)CCCCO 188690a_100000741813_100000695505 [0,2,0,0,0,0|1,0,1]=4 4391 B13R0.193 CCOC(=O)CNC(=O)CCCOC 188690a_100000741813_100000741012 [0,2,0,0,0,0|1,0,1]=4 4392 B13R0.193 CCOC(=O)CNC(=O)CCCSC 188690a_100000741813_100000173376 [0,2,0,0,0,0|1,0,1]=4 4393 B13R0.193 CCOC(=O)CNC(=O)CCSCC 188690a_100000741813_100000230768 [0,2,0,0,0,0|1,0,1]=4 4394 B13R0.193 CCOC(=O)COC(C)CCCOC 34a_200011539412_100000188475 [0,2,0,0,0,0|1,0,1]=4 4395 B13R0.193 CCOC(=O)COC(C)CCCOC 7a_200011539412_100000188475 [0,2,0,0,0,0|1,0,1]=4 4396 B13R0.193 CCOC(=O)NCC(=O)CCCCF 1458a_100000190774_100000729493 [0,2,0,0,0,0|1,0,1]=4 4397 B13R0.193 CCOC(=O)NCC(=O)CCCCO 1458a_100000190774_100000210776 [0,2,0,0,0,0|1,0,1]=4 4398 B13R0.193 CCOC(=O)NCC(=O)CCCOC 1458a_100000190774_100000740836 [0,2,0,0,0,0|1,0,1]=4 4399 B13R0.193 CCOC(=O)NCC(=O)CCSCC 1458a_100000190774_100000757381 [0,2,0,0,0,0|1,0,1]=4 4400 B13R0.193 CCOCCC(=O)C=CC(=O)OCC 1458a_100000210415_100011215890 [0,2,0,0,0,0|0,0,1]=3 4401 B13R0.193 CCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215890 [0,2,0,0,0,0|1,0,1]=4 4402 B13R0.193 CCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100011215890 [0,2,0,0,0,0|1,0,1]=4 4403 B13R0.193 CCOCCC(=O)NCC(=O)OCC 188690a_100000741813_100000749530 [0,2,0,0,0,0|1,0,1]=4 4404 B13R0.275 C#CCCCCNC(=O)C(=O)OCC 11a_100000706060_100014798877 [0,2,0,0,0,0|1,0,1]=4 4405 B13R0.275 C#CCCCCNC(=O)C(=O)OCC 1626a_100000706060_100014798877 [0,2,0,0,0,0|1,0,1]=4 4406 B13R0.275 C#CCCCCNC(=O)C(=O)OCC 240690a_100000706060_100014798877 [0,2,0,0,0,0|1,0,1]=4 4407 B13R0.275 C#CCN(C)C(=O)C=CCCCCC 11a_100000225692_100016263427 [0,2,0,0,0,0|1,0,1]=4 4408 B13R0.275 C#CCN(C)C(=O)C=CCCCCC 1626a_100000225692_100016263427 [0,2,0,0,0,0|1,0,1]=4 4409 B13R0.275 C=C(CNCCCCO)C(=O)OCC 34a_100000750430_100000755967 [0,2,0,0,0,0|1,0,1]=4 4410 B13R0.275 C=C(CNCCCOC)C(=O)OCC 34a_100150723488_100000755967 [0,2,0,0,0,0|1,0,1]=4 4411 B13R0.275 C=C(CNCCOCC)C(=O)OCC 34a_102516460346_100000755967 [0,2,0,0,0,0|1,0,1]=4 4412 B13R0.275 C=C(COCCCCBr)C(=O)OCC 34a_100011216708_100000755967 [0,2,0,0,0,0|1,0,1]=4 4413 B13R0.275 C=C(COCCCCC)C(=O)OCC 34a_100000210253_100000755967 [0,2,0,0,0,0|0,0,1]=3 4414 B13R0.275 C=C(COCCCCC)C(=O)OCC 7a_100000210253_100000755967 [0,2,0,0,0,0|0,0,1]=3 4415 B13R0.275 C=C(COCCCCCl)C(=O)OCC 34a_100000210776_100000755967 [0,2,0,0,0,0|1,0,1]=4 4416 B13R0.275 C=C(COCCCCCl)C(=O)OCC 7a_100000210776_100000755967 [0,2,0,0,0,0|1,0,1]=4 4417 B13R0.275 C=C(COCCCCF)C(=O)OCC 34a_100011995726_100000755967 [0,2,0,0,0,0|1,0,1]=4 4418 B13R0.275 C=C(COCCCCF)C(=O)OCC 7a_100011995726_100000755967 [0,2,0,0,0,0|1,0,1]=4 4419 B13R0.275 C=C(COCCCCI)C(=O)OCC 34a_200012148704_100000755967 [0,2,0,0,0,0|1,0,1]=4 4420 B13R0.275 C=C(COCCCCN)C(=O)OCC 34a_100000750430_100000755967 [0,2,0,0,0,0|1,0,1]=4 4421 B13R0.275 C=C(COCCCNC)C(=O)OCC 34a_100000213112_100000755967 [0,2,0,0,0,0|1,0,1]=4 4422 B13R0.275 C=C(COCCCOC)C(=O)OCC 34a_100000740835_100000755967 [0,2,0,0,0,0|1,0,1]=4 4423 B13R0.275 C=C(COCCCSC)C(=O)OCC 34a_100000690336_100000755967 [0,2,0,0,0,0|1,0,1]=4 4424 B13R0.275 C=C(COCCCSC)C(=O)OCC 7a_100000690336_100000755967 [0,2,0,0,0,0|1,0,1]=4 4425 B13R0.275 C=C(COCCOCC)C(=O)OCC 34a_100000210136_100000755967 [0,2,0,0,0,0|1,0,1]=4 4426 B13R0.275 C=C(COCCOCC)C(=O)OCC 7a_100000210136_100000755967 [0,2,0,0,0,0|1,0,1]=4 4427 B13R0.275 C=C(COCCSCC)C(=O)OCC 34a_100000212035_100000755967 [0,2,0,0,0,0|1,0,1]=4 4428 B13R0.275 C=C(COCCSCC)C(=O)OCC 7a_100000212035_100000755967 [0,2,0,0,0,0|1,0,1]=4 4429 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000210326_100000755967 [0,2,0,0,0,0|0,0,1]=3 4430 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000755967_100000210326 [0,2,0,0,0,0|0,0,1]=3 4431 B13R0.275 C=C(CSCCCCF)C(=O)OCC 62a_100000729493_100000755967 [0,2,0,0,0,0|1,0,1]=4 4432 B13R0.275 C=C(CSCCCCF)C(=O)OCC 62a_100000755967_100000729493 [0,2,0,0,0,0|1,0,1]=4 4433 B13R0.275 C=C(CSCCCCO)C(=O)OCC 62a_100000210776_100000755967 [0,2,0,0,0,0|1,0,1]=4 4434 B13R0.275 C=C(CSCCCCO)C(=O)OCC 62a_100000755967_100000210776 [0,2,0,0,0,0|1,0,1]=4 4435 B13R0.275 C=C(CSCCCOC)C(=O)OCC 62a_100000709357_100000755967 [0,2,0,0,0,0|1,0,1]=4 4436 B13R0.275 C=C(CSCCCOC)C(=O)OCC 62a_100000755967_100000709357 [0,2,0,0,0,0|1,0,1]=4 4437 B13R0.275 C=C(CSCCOCC)C(=O)OCC 62a_100000210147_100000755967 [0,2,0,0,0,0|1,0,1]=4 4438 B13R0.275 C=C(CSCCOCC)C(=O)OCC 62a_100000755967_100011215890 [0,2,0,0,0,0|1,0,1]=4 4439 B13R0.275 C=C(CSCCSCC)C(=O)OCC 62a_100000755967_100000757381 [0,2,0,0,0,0|1,0,1]=4 4440 B13R0.275 C=C(CSCCSCC)C(=O)OCC 62a_100000757381_100000755967 [0,2,0,0,0,0|1,0,1]=4 4441 B13R0.275 C=CCCCCNC(=O)C(=O)OCC 11a_100000703577_100014798877 [0,2,0,0,0,0|1,0,1]=4 4442 B13R0.275 C=CCCCCNC(=O)C(=O)OCC 1626a_100000703577_100014798877 [0,2,0,0,0,0|1,0,1]=4 4443 B13R0.275 C=CCCCCNC(=O)C(=O)OCC 240690a_100000703577_100014798877 [0,2,0,0,0,0|1,0,1]=4 4444 B13R0.275 C=CCN(C)C(=O)C=CCCCCC 11a_100000225617_100016263427 [0,2,0,0,0,0|1,0,1]=4 4445 B13R0.275 C=CCN(C)C(=O)C=CCCCCC 1626a_100000225617_100016263427 [0,2,0,0,0,0|1,0,1]=4 4446 B13R0.275 C=CCN(C)C(=O)C=CCCCCC 240690a_100000225617_100016263427 [0,2,0,0,0,0|1,0,1]=4 4447 B13R0.275 CCCCCC=CC(=O)C(C)CC#N 1458a_100016263427_100009813641 [0,2,0,0,0,0|1,0,1]=4 4448 B13R0.275 CCCCCC=CC(=O)C(C)CCC 1458a_100016263427_100000766640 [0,2,0,0,0,0|1,0,0]=3 4449 B13R0.275 CCCCCC=CC(=O)C(C)CCO 1458a_100016263427_100009893172 [0,2,0,0,0,0|1,0,0]=3 4450 B13R0.275 CCCCCC=CC(=O)C(C)COC 1458a_100016263427_100000765312 [0,2,0,0,0,0|1,0,0]=3 4451 B13R0.275 CCCCCC=CC(=O)N(C)CC#N 11a_100000748184_100016263427 [0,2,0,0,0,0|1,0,1]=4 4452 B13R0.275 CCCCCC=CC(=O)N(C)CC#N 1626a_100000748184_100016263427 [0,2,0,0,0,0|1,0,1]=4 4453 B13R0.275 CCCCCC=CC(=O)N(C)CCC 11a_100000747261_100016263427 [0,2,0,0,0,0|1,0,0]=3 4454 B13R0.275 CCCCCC=CC(=O)N(C)CCC 1626a_100000747261_100016263427 [0,2,0,0,0,0|1,0,0]=3 4455 B13R0.275 CCCCCC=CC(=O)N(C)CCC 240690a_100000747261_100016263427 [0,2,0,0,0,0|1,0,0]=3 4456 B13R0.275 CCCCCC=CC(=O)N(C)CCO 240690a_100000210263_100016263427 [0,2,0,0,0,0|1,0,0]=3 4457 B13R0.275 CCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210614 [0,2,0,0,0,0|1,0,1]=4 4458 B13R0.275 CCCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210614 [0,2,0,0,0,0|0,0,2]=4 4459 B13R0.275 CCCCCCNC(=O)C(=O)NCC 1626a_100000210581_200011297158 [0,2,0,0,0,0|1,0,1]=4 4460 B13R0.275 CCCCCCNC(=O)C(=O)NCC 240690a_100000210581_200011297158 [0,2,0,0,0,0|1,0,1]=4 4461 B13R0.275 CCCCCCNC(=O)C(=O)NCC 527a_100000210581_200011297158 [0,2,0,0,0,0|1,0,1]=4 4462 B13R0.275 CCCCCCNC(=O)C(=O)OCC 11a_100000210581_100014798877 [0,2,0,0,0,0|0,0,1]=3 4463 B13R0.275 CCCCCCNC(=O)C(=O)OCC 1626a_100000210581_100014798877 [0,2,0,0,0,0|0,0,1]=3 4464 B13R0.275 CCCCCCNC(=O)C(=O)OCC 240690a_100000210581_100014798877 [0,2,0,0,0,0|0,0,1]=3 4465 B13R0.275 CCCCCCNC(=O)C(C)OCC 11a_100000210581_100000739345 [0,2,0,0,0,0|1,0,1]=4 4466 B13R0.275 CCCCCCNC(=O)C(C)OCC 1626a_100000210581_100000739345 [0,2,0,0,0,0|1,0,1]=4 4467 B13R0.275 CCCCCCNC(=O)C(C)OCC 240690a_100000210581_100000739345 [0,2,0,0,0,0|1,0,1]=4 4468 B13R0.275 CCCCCCNC(=O)C(C)OCC 527a_100000210581_100000739345 [0,2,0,0,0,0|1,0,1]=4 4469 B13R0.275 CCCCCCNC(C)C(=O)OCC 2230a_100000210581_100011215307 [0,2,0,0,0,0|0,0,2]=4 4470 B13R0.275 CCCCCCNC(F)C(=O)OCC 2230a_100000210581_100000760018 [0,2,0,0,0,0|0,0,2]=4 4471 B13R0.275 CCCCCCOC(C)C(=O)OCC 34a_100000210259_100011216346 [0,2,0,0,0,0|0,0,2]=4 4472 B13R0.275 CCCCCCOC(C)C(=O)OCC 7a_100000210259_100011216346 [0,2,0,0,0,0|0,0,2]=4 4473 B13R0.275 CCCCCCOC(F)C(=O)OCC 34a_100000210259_100000760018 [0,2,0,0,0,0|0,0,2]=4 4474 B13R0.275 CCCCCCOC(F)C(=O)OCC 7a_100000210259_100000040065 [0,2,0,0,0,0|0,0,2]=4 4475 B13R0.275 CCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210314 [0,2,0,0,0,0|0,0,2]=4 4476 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100000210314_100011216346 [0,2,0,0,0,0|0,0,2]=4 4477 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210757 [0,2,0,0,0,0|0,0,2]=4 4478 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000210314_100000760018 [0,2,0,0,0,0|0,0,2]=4 4479 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210757 [0,2,0,0,0,0|0,0,2]=4 4480 B13R0.275 CCCCCNN=C(C)C(=O)OCC 4a_100000694160_100000209952 [0,2,0,0,0,0|1,0,0]=3 4481 B13R0.275 CCCCCNNC(=O)C(=O)NCC 22a_100000694160_200011297158 [0,2,0,0,0,0|2,0,0]=4 4482 B13R0.275 CCCCCNNC(=O)C(C)OCC 22a_100000694160_100000739345 [0,2,0,0,0,0|2,0,0]=4 4483 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000210326_100000211299 [0,2,0,0,0,0|0,0,1]=3 4484 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210326 [0,2,0,0,0,0|0,0,1]=3 4485 B13R0.275 CCCCOCCC(=O)C(=O)NCC 1458a_200011297158_100000743108 [0,2,0,0,0,0|1,0,1]=4 4486 B13R0.275 CCCCOCSC(C)C(=O)OCC 62a_100011216346_100011995733 [0,2,0,0,0,0|1,0,1]=4 4487 B13R0.275 CCCCOCSC(C)C(=O)OCC 62a_100011995733_100011216346 [0,2,0,0,0,0|1,0,1]=4 4488 B13R0.275 CCCCOCSC(F)C(=O)OCC 62a_100000760018_100011995733 [0,2,0,0,0,0|1,0,1]=4 4489 B13R0.275 CCCCOCSC(F)C(=O)OCC 62a_100011995733_100000760018 [0,2,0,0,0,0|1,0,1]=4 4490 B13R0.275 CCCOCCNC(=O)C(=O)NCC 1626a_100161115042_200011297158 [0,2,0,0,0,0|2,0,0]=4 4491 B13R0.275 CCCOCCNC(=O)C(=O)NCC 240690a_100161115042_200011297158 [0,2,0,0,0,0|2,0,0]=4 4492 B13R0.275 CCCOCCNC(=O)C(=O)NCC 527a_100161115042_200011297158 [0,2,0,0,0,0|2,0,0]=4 4493 B13R0.275 CCCOCCNC(=O)C(=O)OCC 1626a_100161115042_100014798877 [0,2,0,0,0,0|1,0,0]=3 4494 B13R0.275 CCCOCCNC(=O)C(=O)OCC 240690a_100161115042_100014798877 [0,2,0,0,0,0|1,0,0]=3 4495 B13R0.275 CCCOCCNC(C)C(=O)OCC 2230a_100161115042_100011215307 [0,2,0,0,0,0|1,0,1]=4 4496 B13R0.275 CCCOCCNC(C)C(=O)OCC 34a_100161115042_100011216346 [0,2,0,0,0,0|1,0,1]=4 4497 B13R0.275 CCCOCCNC(F)C(=O)OCC 2230a_100161115042_100000760018 [0,2,0,0,0,0|1,0,1]=4 4498 B13R0.275 CCCOCCNC(F)C(=O)OCC 34a_100161115042_100000760018 [0,2,0,0,0,0|1,0,1]=4 4499 B13R0.275 CCCOCCOC(C)C(=O)OCC 34a_100000752267_100011216346 [0,2,0,0,0,0|1,0,1]=4 4500 B13R0.275 CCCOCCOC(C)C(=O)OCC 7a_100000752267_100011216346 [0,2,0,0,0,0|1,0,1]=4 4501 B13R0.275 CCCOCCOC(F)C(=O)OCC 34a_100000752267_100000760018 [0,2,0,0,0,0|1,0,1]=4 4502 B13R0.275 CCCOCCOC(F)C(=O)OCC 7a_100000752267_100000040065 [0,2,0,0,0,0|1,0,1]=4 4503 B13R0.275 CCCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215938 [0,2,0,0,0,0|1,0,1]=4 4504 B13R0.275 CCCOCCSC(C)C(=O)OCC 62a_100011215938_100011216346 [0,2,0,0,0,0|1,0,1]=4 4505 B13R0.275 CCCOCCSC(C)C(=O)OCC 62a_100011216346_100011215938 [0,2,0,0,0,0|1,0,1]=4 4506 B13R0.275 CCCOCCSC(F)C(=O)OCC 62a_100000760018_100011215938 [0,2,0,0,0,0|1,0,1]=4 4507 B13R0.275 CCCOCCSC(F)C(=O)OCC 62a_100011215938_100000760018 [0,2,0,0,0,0|1,0,1]=4 4508 B13R0.275 CCCSCCNC(=O)C(=O)NCC 240690a_100020603323_200011297158 [0,2,0,0,0,0|2,0,0]=4 4509 B13R0.275 CCCSCCNC(=O)C(=O)NCC 527a_100020603323_200011297158 [0,2,0,0,0,0|2,0,0]=4 4510 B13R0.275 CCCSCCNC(=O)C(=O)OCC 11a_100020603323_100014798877 [0,2,0,0,0,0|1,0,0]=3 4511 B13R0.275 CCCSCCNC(=O)C(=O)OCC 240690a_100020603323_100014798877 [0,2,0,0,0,0|1,0,0]=3 4512 B13R0.275 CCCSCCNC(C)C(=O)OCC 2230a_100020603323_100011215307 [0,2,0,0,0,0|1,0,1]=4 4513 B13R0.275 CCCSCCNC(F)C(=O)OCC 2230a_100020603323_100000760018 [0,2,0,0,0,0|1,0,1]=4 4514 B13R0.275 CCCSCCOC(C)C(=O)OCC 34a_200000230433_100011216346 [0,2,0,0,0,0|1,0,1]=4 4515 B13R0.275 CCCSCCOC(C)C(=O)OCC 7a_200000230433_100011216346 [0,2,0,0,0,0|1,0,1]=4 4516 B13R0.275 CCCSCCOC(F)C(=O)OCC 34a_200000230433_100000760018 [0,2,0,0,0,0|1,0,1]=4 4517 B13R0.275 CCCSCCOC(F)C(=O)OCC 7a_200000230433_100000040065 [0,2,0,0,0,0|1,0,1]=4 4518 B13R0.275 CCNC(=O)C(=O)CCCCCCF 1458a_200011297158_100015922095 [0,2,0,0,0,0|1,0,1]=4 4519 B13R0.275 CCNC(=O)C(=O)CCCCCCO 1458a_200011297158_100000766143 [0,2,0,0,0,0|1,0,1]=4 4520 B13R0.275 CCNC(=O)C(=O)NCCCCCO 240690a_100000762737_200011297158 [0,2,0,0,0,0|2,0,0]=4 4521 B13R0.275 CCNC(=O)C(=O)NCCCOCC 1626a_100000210961_200011297158 [0,2,0,0,0,0|2,0,0]=4 4522 B13R0.275 CCNC(=O)C(=O)NCCCOCC 240690a_100000210961_200011297158 [0,2,0,0,0,0|2,0,0]=4 4523 B13R0.275 CCNC(=O)C(=O)NCCCOCC 527a_100000210961_200011297158 [0,2,0,0,0,0|2,0,0]=4 4524 B13R0.275 CCOC(=O)C(=O)CCCCCNC 2230a_106832991635_100000068741 [0,2,0,0,0,0|0,0,1]=3 4525 B13R0.275 CCOC(=O)C(=O)CCCCCSC 62a_200000210301_100000068741 [0,2,0,0,0,0|0,0,1]=3 4526 B13R0.275 CCOC(=O)C(=O)CCCCCS[13CH3] 62a_200025704644_100000068741 [0,2,0,0,0,0|0,0,1]=3 4527 B13R0.275 CCOC(=O)C(=O)CSCCCCF 62a_100000211299_100000729493 [0,2,0,0,0,0|1,0,1]=4 4528 B13R0.275 CCOC(=O)C(=O)CSCCCCF 62a_100000729493_100000211299 [0,2,0,0,0,0|1,0,1]=4 4529 B13R0.275 CCOC(=O)C(=O)CSCCCCO 62a_100000210776_100000211299 [0,2,0,0,0,0|1,0,1]=4 4530 B13R0.275 CCOC(=O)C(=O)CSCCCCO 62a_100000211299_100000210776 [0,2,0,0,0,0|1,0,1]=4 4531 B13R0.275 CCOC(=O)C(=O)CSCCCOC 62a_100000211299_100000709357 [0,2,0,0,0,0|1,0,1]=4 4532 B13R0.275 CCOC(=O)C(=O)CSCCCOC 62a_100000709357_100000211299 [0,2,0,0,0,0|1,0,1]=4 4533 B13R0.275 CCOC(=O)C(=O)CSCCSCC 62a_100000211299_100000757381 [0,2,0,0,0,0|1,0,1]=4 4534 B13R0.275 CCOC(=O)C(=O)CSCCSCC 62a_100000757381_100000211299 [0,2,0,0,0,0|1,0,1]=4 4535 B13R0.275 CCOC(=O)C(=O)NCCCCC#N 11a_100000751965_100014798877 [0,2,0,0,0,0|1,0,1]=4 4536 B13R0.275 CCOC(=O)C(=O)NCCCCC#N 1626a_100000751965_100014798877 [0,2,0,0,0,0|1,0,1]=4 4537 B13R0.275 CCOC(=O)C(=O)NCCCCC#N 240690a_100000751965_100014798877 [0,2,0,0,0,0|1,0,1]=4 4538 B13R0.275 CCOC(=O)C(=O)NCCCCCO 240690a_100000762737_100014798877 [0,2,0,0,0,0|1,0,0]=3 4539 B13R0.275 CCOC(=O)C(=O)NCCOCCO 240690a_100000211614_100014798877 [0,2,0,0,0,0|2,0,0]=4 4540 B13R0.275 CCOC(=O)C(=O)NCCSCCO 240690a_100011219999_100014798877 [0,2,0,0,0,0|2,0,0]=4 4541 B13R0.275 CCOC(=O)C(C)NCCCCCO 2230a_100000762737_100011215307 [0,2,0,0,0,0|1,0,1]=4 4542 B13R0.275 CCOC(=O)C(C)NCCCCCO 34a_100000762737_100011216346 [0,2,0,0,0,0|1,0,1]=4 4543 B13R0.275 CCOC(=O)C(C)OCCCCCBr 34a_100000746331_100011216346 [0,2,0,0,0,0|1,0,1]=4 4544 B13R0.275 CCOC(=O)C(C)OCCCCCBr 7a_100000746331_100011216346 [0,2,0,0,0,0|1,0,1]=4 4545 B13R0.275 CCOC(=O)C(C)OCCCCCCl 34a_100000746330_100011216346 [0,2,0,0,0,0|1,0,1]=4 4546 B13R0.275 CCOC(=O)C(C)OCCCCCCl 7a_100000746330_100011216346 [0,2,0,0,0,0|1,0,1]=4 4547 B13R0.275 CCOC(=O)C(C)OCCCCCI 34a_200012148887_100011216346 [0,2,0,0,0,0|1,0,1]=4 4548 B13R0.275 CCOC(=O)C(C)OCCCCCI 7a_200012148887_100011216346 [0,2,0,0,0,0|1,0,1]=4 4549 B13R0.275 CCOC(=O)C(C)OCCCCCN 34a_100000762737_100011216346 [0,2,0,0,0,0|1,0,1]=4 4550 B13R0.275 CCOC(=O)C(C)OCCCCOC 34a_100000740925_100011216346 [0,2,0,0,0,0|1,0,1]=4 4551 B13R0.275 CCOC(=O)C(C)OCCCCSC 34a_100011217163_100011216346 [0,2,0,0,0,0|1,0,1]=4 4552 B13R0.275 CCOC(=O)C(C)OCCCCSC 7a_100011217163_100011216346 [0,2,0,0,0,0|1,0,1]=4 4553 B13R0.275 CCOC(=O)C(C)OCCCSCC 34a_100011216438_100011216346 [0,2,0,0,0,0|1,0,1]=4 4554 B13R0.275 CCOC(=O)C(C)OCCCSCC 7a_100011216438_100011216346 [0,2,0,0,0,0|1,0,1]=4 4555 B13R0.275 CCOC(=O)C(C)SCCCCCF 62a_100000729378_100011216346 [0,2,0,0,0,0|1,0,1]=4 4556 B13R0.275 CCOC(=O)C(C)SCCCCCF 62a_100011216346_100000729378 [0,2,0,0,0,0|1,0,1]=4 4557 B13R0.275 CCOC(=O)C(C)SCCCCCO 62a_100000746330_100011216346 [0,2,0,0,0,0|1,0,1]=4 4558 B13R0.275 CCOC(=O)C(C)SCCCCCO 62a_100011216346_100000746330 [0,2,0,0,0,0|1,0,1]=4 4559 B13R0.275 CCOC(=O)C(C)SCCCCOC 62a_100000730899_100011216346 [0,2,0,0,0,0|1,0,1]=4 4560 B13R0.275 CCOC(=O)C(C)SCCCCOC 62a_100011216346_100000730899 [0,2,0,0,0,0|1,0,1]=4 4561 B13R0.275 CCOC(=O)C(F)NCCCCCO 2230a_100000762737_100000760018 [0,2,0,0,0,0|1,0,1]=4 4562 B13R0.275 CCOC(=O)C(F)NCCCCCO 34a_100000762737_100000760018 [0,2,0,0,0,0|1,0,1]=4 4563 B13R0.275 CCOC(=O)C(F)OCCCCCBr 34a_100000746331_100000760018 [0,2,0,0,0,0|1,0,1]=4 4564 B13R0.275 CCOC(=O)C(F)OCCCCCBr 7a_100000746331_100000040065 [0,2,0,0,0,0|1,0,1]=4 4565 B13R0.275 CCOC(=O)C(F)OCCCCCCl 34a_100000746330_100000760018 [0,2,0,0,0,0|1,0,1]=4 4566 B13R0.275 CCOC(=O)C(F)OCCCCCCl 7a_100000746330_100000040065 [0,2,0,0,0,0|1,0,1]=4 4567 B13R0.275 CCOC(=O)C(F)OCCCCCI 34a_200012148887_100000760018 [0,2,0,0,0,0|1,0,1]=4 4568 B13R0.275 CCOC(=O)C(F)OCCCCCI 7a_200012148887_100000040065 [0,2,0,0,0,0|1,0,1]=4 4569 B13R0.275 CCOC(=O)C(F)OCCCCCN 34a_100000762737_100000760018 [0,2,0,0,0,0|1,0,1]=4 4570 B13R0.275 CCOC(=O)C(F)OCCCCOC 34a_100000740925_100000760018 [0,2,0,0,0,0|1,0,1]=4 4571 B13R0.275 CCOC(=O)C(F)OCCCCSC 34a_100011217163_100000760018 [0,2,0,0,0,0|1,0,1]=4 4572 B13R0.275 CCOC(=O)C(F)OCCCCSC 7a_100011217163_100000040065 [0,2,0,0,0,0|1,0,1]=4 4573 B13R0.275 CCOC(=O)C(F)OCCCSCC 34a_100011216438_100000760018 [0,2,0,0,0,0|1,0,1]=4 4574 B13R0.275 CCOC(=O)C(F)OCCCSCC 7a_100011216438_100000040065 [0,2,0,0,0,0|1,0,1]=4 4575 B13R0.275 CCOC(=O)C(F)SCCCCCF 62a_100000729378_100000760018 [0,2,0,0,0,0|1,0,1]=4 4576 B13R0.275 CCOC(=O)C(F)SCCCCCF 62a_100000760018_100000729378 [0,2,0,0,0,0|1,0,1]=4 4577 B13R0.275 CCOC(=O)C(F)SCCCCCO 62a_100000746330_100000760018 [0,2,0,0,0,0|1,0,1]=4 4578 B13R0.275 CCOC(=O)C(F)SCCCCCO 62a_100000760018_100000746330 [0,2,0,0,0,0|1,0,1]=4 4579 B13R0.275 CCOC(=O)C(F)SCCCCOC 62a_100000730899_100000760018 [0,2,0,0,0,0|1,0,1]=4 4580 B13R0.275 CCOC(=O)C(F)SCCCCOC 62a_100000760018_100000730899 [0,2,0,0,0,0|1,0,1]=4 4581 B13R0.275 CCOC(=O)[C@H](C)OCCCCCF 7a_100000751109_100000729378 [0,2,0,0,0,0|1,0,1]=4 4582 B13R0.275 CCOC(=O)[C@H](C)OCCCCCO 7a_100000751109_100000746330 [0,2,0,0,0,0|1,0,1]=4 4583 B13R0.275 CCOC(=O)[C@H](C)OCCCCOC 7a_100000751109_100000730899 [0,2,0,0,0,0|1,0,1]=4 4584 B13R0.275 CCOCCCNC(=O)C(=O)OCC 11a_100000210961_100014798877 [0,2,0,0,0,0|1,0,0]=3 4585 B13R0.275 CCOCCCNC(=O)C(=O)OCC 1626a_100000210961_100014798877 [0,2,0,0,0,0|1,0,0]=3 4586 B13R0.275 CCOCCCNC(=O)C(=O)OCC 240690a_100000210961_100014798877 [0,2,0,0,0,0|1,0,0]=3 4587 B13R0.275 CCOCCCNC(C)C(=O)OCC 2230a_100000210961_100011215307 [0,2,0,0,0,0|1,0,1]=4 4588 B13R0.275 CCOCCCNC(C)C(=O)OCC 34a_100000210961_100011216346 [0,2,0,0,0,0|1,0,1]=4 4589 B13R0.275 CCOCCCNC(F)C(=O)OCC 2230a_100000210961_100000760018 [0,2,0,0,0,0|1,0,1]=4 4590 B13R0.275 CCOCCCNC(F)C(=O)OCC 34a_100000210961_100000760018 [0,2,0,0,0,0|1,0,1]=4 4591 B13R0.275 CCOCCCOC(C)C(=O)OCC 34a_100000757476_100011216346 [0,2,0,0,0,0|1,0,1]=4 4592 B13R0.275 CCOCCCOC(C)C(=O)OCC 7a_100000757476_100011216346 [0,2,0,0,0,0|1,0,1]=4 4593 B13R0.275 CCOCCCOC(F)C(=O)OCC 34a_100000757476_100000760018 [0,2,0,0,0,0|1,0,1]=4 4594 B13R0.275 CCOCCCOC(F)C(=O)OCC 7a_100000757476_100000040065 [0,2,0,0,0,0|1,0,1]=4 4595 B13R0.275 CCOCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100012232248 [0,2,0,0,0,0|1,0,1]=4 4596 B13R0.275 CCOCCCSC(C)C(=O)OCC 62a_100011216346_100012232248 [0,2,0,0,0,0|1,0,1]=4 4597 B13R0.275 CCOCCCSC(C)C(=O)OCC 62a_100012232248_100011216346 [0,2,0,0,0,0|1,0,1]=4 4598 B13R0.275 CCOCCCSC(F)C(=O)OCC 62a_100000760018_100012232248 [0,2,0,0,0,0|1,0,1]=4 4599 B13R0.275 CCOCCCSC(F)C(=O)OCC 62a_100012232248_100000760018 [0,2,0,0,0,0|1,0,1]=4 4600 B13R0.275 CCOCCNN=C(C)C(=O)OCC 4a_100000732670_100000209952 [0,2,0,0,0,0|2,0,0]=4 4601 B13R0.275 CCOCCSCC(=O)C(=O)OCC 62a_100000210147_100000211299 [0,2,0,0,0,0|1,0,1]=4 4602 B13R0.275 CCOCCSCC(=O)C(=O)OCC 62a_100000211299_100011215890 [0,2,0,0,0,0|1,0,1]=4 4603 B13R0.330 C#CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100010269958 [0,2,0,0,0,0|0,0,2]=4 4604 B13R0.330 C#CCCCCC(=O)CC(=O)OCC 1458a_100000696528_100000188475 [0,2,0,0,0,0|0,0,2]=4 4605 B13R0.330 C#CCCNCC(=CC(=O)OCC)C 34a_100000755551_100135422193 [0,2,0,0,0,0|0,0,2]=4 4606 B13R0.330 C#CCCOCC(=CC(=O)OCC)C 34a_100011215631_100135422193 [0,2,0,0,0,0|0,0,2]=4 4607 B13R0.330 C#CCCSCC(=CC(=O)OCC)C 62a_100000688953_100135422193 [0,2,0,0,0,0|0,0,2]=4 4608 B13R0.330 C#CCCSCC(=CC(=O)OCC)C 62a_100135422193_100000688953 [0,2,0,0,0,0|0,0,2]=4 4609 B13R0.330 C/C=C/COCC(=CC(=O)OCC)C 34a_100016270725_100135422193 [0,2,0,0,0,0|0,0,2]=4 4610 B13R0.330 C/C=C/CSCC(=CC(=O)OCC)C 62a_100102629194_100135422193 [0,2,0,0,0,0|0,0,2]=4 4611 B13R0.330 C/C=C/CSCC(=CC(=O)OCC)C 62a_100135422193_100102629194 [0,2,0,0,0,0|0,0,2]=4 4612 B13R0.330 C=CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100011215482 [0,2,0,0,0,0|0,0,2]=4 4613 B13R0.330 C=CCCCCC(=O)CC(=O)OCC 1458a_100011215552_100000188475 [0,2,0,0,0,0|0,0,2]=4 4614 B13R0.330 C=CCCNCC(=CC(=O)OCC)C 2230a_100015191253_100135422193 [0,2,0,0,0,0|0,0,2]=4 4615 B13R0.330 C=CCCOCC(=CC(=O)OCC)C 34a_100011205117_100135422193 [0,2,0,0,0,0|0,0,2]=4 4616 B13R0.330 C=CCCSCC(=CC(=O)OCC)C 62a_100000754431_100135422193 [0,2,0,0,0,0|0,0,2]=4 4617 B13R0.330 C=CCCSCC(=CC(=O)OCC)C 62a_100135422193_100000754431 [0,2,0,0,0,0|0,0,2]=4 4618 B13R0.330 CC#CCNCC(=CC(=O)OCC)C 2230a_100000685387_100135422193 [0,2,0,0,0,0|0,0,2]=4 4619 B13R0.330 CC#CCNCC(=CC(=O)OCC)C 34a_100000685387_100135422193 [0,2,0,0,0,0|0,0,2]=4 4620 B13R0.330 CC#CCOCC(=CC(=O)OCC)C 34a_100000761923_100135422193 [0,2,0,0,0,0|0,0,2]=4 4621 B13R0.330 CC#CCSCC(=CC(=O)OCC)C 62a_100000748600_100135422193 [0,2,0,0,0,0|0,0,2]=4 4622 B13R0.330 CC#CCSCC(=CC(=O)OCC)C 62a_100135422193_100000748600 [0,2,0,0,0,0|0,0,2]=4 4623 B13R0.330 CC/C=C\CCC(=O)CC(=O)OCC 1458a_100000243816_100015370543 [0,2,0,0,0,0|0,0,2]=4 4624 B13R0.330 CC=CCSCC(=CC(=O)OCC)C 62a_100000070051_100135422193 [0,2,0,0,0,0|0,0,2]=4 4625 B13R0.330 CC=CCSCC(=CC(=O)OCC)C 62a_100135422193_100000070051 [0,2,0,0,0,0|0,0,2]=4 4626 B13R0.330 CCC/C=C/CC(=O)CC(=O)OCC 1458a_200016266809_100000188475 [0,2,0,0,0,0|0,0,2]=4 4627 B13R0.330 CCCC(=CC(=O)CCCCCF)C 1458a_100020676950_100000729378 [0,2,0,0,0,0|2,0,0]=4 4628 B13R0.330 CCCC(=CC(=O)CCCCCO)C 1458a_100020676950_100000746330 [0,2,0,0,0,0|2,0,0]=4 4629 B13R0.330 CCCC(=CC(=O)CCCCOC)C 1458a_100020676950_100000755781 [0,2,0,0,0,0|2,0,0]=4 4630 B13R0.330 CCCC(=CC(=O)CCCOCC)C 1458a_100020676950_100012232248 [0,2,0,0,0,0|2,0,0]=4 4631 B13R0.330 CCCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747444 [0,2,0,0,0,0|1,0,1]=4 4632 B13R0.330 CCCCC=CC(=O)CC(=O)CCC 1458a_100016266645_100000747444 [0,2,0,0,0,0|1,0,1]=4 4633 B13R0.330 CCCCC=CC(=O)CC(=O)NCC 1458a_100016266645_100000183381 [0,2,0,0,0,0|1,0,1]=4 4634 B13R0.330 CCCCC=CC(=O)CC(=O)OCC 1458a_100016266645_100000188475 [0,2,0,0,0,0|0,0,1]=3 4635 B13R0.330 CCCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210757 [0,2,0,0,0,0|2,0,0]=4 4636 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [0,2,0,0,0,0|1,0,1]=4 4637 B13R0.330 CCCCCCC(=O)CC(=O)NCC 1458a_100102632555_100000183381 [0,2,0,0,0,0|1,0,1]=4 4638 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210757 [0,2,0,0,0,0|0,0,1]=3 4639 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100102632555_100000188475 [0,2,0,0,0,0|0,0,1]=3 4640 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210314 [0,2,0,0,0,0|0,0,2]=4 4641 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_106256046315_100000188475 [0,2,0,0,0,0|0,0,2]=4 4642 B13R0.330 CCCCCCN(C)CC(=O)OCC 269982a_106256046315_100000188475 [0,2,0,0,0,0|0,0,2]=4 4643 B13R0.330 CCCCCNC(=O)C=C(C)CCC 11a_100000209983_100020676950 [0,2,0,0,0,0|2,0,0]=4 4644 B13R0.330 CCCCCNC(=O)C=C(C)CCC 1626a_100000209983_100020676950 [0,2,0,0,0,0|2,0,0]=4 4645 B13R0.330 CCCCCNC(=O)C=C(C)CCC 240690a_100000209983_100020676950 [0,2,0,0,0,0|2,0,0]=4 4646 B13R0.330 CCCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000230301 [0,2,0,0,0,0|1,0,1]=4 4647 B13R0.330 CCCCCNC(=O)CC(=O)OCC 240690a_100000209983_100000243816 [0,2,0,0,0,0|0,0,1]=3 4648 B13R0.330 CCCCCNC(C)CC(=O)OCC 2230a_100000209983_100009817359 [0,2,0,0,0,0|0,0,2]=4 4649 B13R0.330 CCCCCOC(C)CC(=O)OCC 7a_100000210253_100009817359 [0,2,0,0,0,0|0,0,2]=4 4650 B13R0.330 CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210326 [0,2,0,0,0,0|0,0,2]=4 4651 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100000210326_100009817359 [0,2,0,0,0,0|0,0,2]=4 4652 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210326 [0,2,0,0,0,0|0,0,2]=4 4653 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210326 [0,2,0,0,0,0|1,0,1]=4 4654 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000210326_100000036008 [0,2,0,0,0,0|1,0,1]=4 4655 B13R0.330 CCCCNCC(=CC(=O)OCC)C 2230a_100000102301_100135422193 [0,2,0,0,0,0|0,0,0]=2 4656 B13R0.330 CCCCNCC(=CC(=O)OCC)C 7a_106832991798_100135422193 [0,2,0,0,0,0|0,0,0]=2 4657 B13R0.330 CCCCNCC(=O)NC(=O)NCC 2230a_100000102301_100000183762 [0,2,0,0,0,0|2,0,0]=4 4658 B13R0.330 CCCCNCC(=O)NC(=O)NCC 7a_106832991798_100000183762 [0,2,0,0,0,0|2,0,0]=4 4659 B13R0.330 CCCCNCC(=O)NC(=O)OCC 7a_106832991798_100000010344 [0,2,0,0,0,0|1,0,0]=3 4660 B13R0.330 CCCCNC[C@@H](O)CC(=O)OCC 7a_106832991798_100000688340 [0,2,0,0,0,0|0,0,2]=4 4661 B13R0.330 CCCCNNC(=O)CC(=O)OCC 22a_100025702795_100000243816 [0,2,0,0,0,0|1,0,1]=4 4662 B13R0.330 CCCCOCC(=CC(=O)OCC)C 34a_100000210227_100135422193 [0,2,0,0,0,0|0,0,0]=2 4663 B13R0.330 CCCCOCC(=CC(=O)OCC)C 7a_100000210227_100135422193 [0,2,0,0,0,0|0,0,0]=2 4664 B13R0.330 CCCCOCC(=O)C=C(C)CCC 1458a_100020676950_100011995733 [0,2,0,0,0,0|2,0,0]=4 4665 B13R0.330 CCCCOCC(=O)CC(=O)CCC 1458a_100000757543_100000747444 [0,2,0,0,0,0|1,0,1]=4 4666 B13R0.330 CCCCOCC(=O)CC(=O)NCC 1458a_100000757543_100000183381 [0,2,0,0,0,0|1,0,1]=4 4667 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000243816_100011995733 [0,2,0,0,0,0|0,0,1]=3 4668 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000757543_100000188475 [0,2,0,0,0,0|0,0,1]=3 4669 B13R0.330 CCCCOCC(=O)NC(=O)NCC 7a_100000210227_100000183762 [0,2,0,0,0,0|2,0,0]=4 4670 B13R0.330 CCCCOCC(=O)NC(=O)OCC 7a_100000210227_100000010344 [0,2,0,0,0,0|1,0,0]=3 4671 B13R0.330 CCCCOCN(C)CC(=O)OCC 2230a_100000220588_100011995733 [0,2,0,0,0,0|1,0,1]=4 4672 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 34a_100000210227_100000688340 [0,2,0,0,0,0|0,0,2]=4 4673 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 7a_100000210227_100000688340 [0,2,0,0,0,0|0,0,2]=4 4674 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100000210211_100135422193 [0,2,0,0,0,0|0,0,0]=2 4675 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210210 [0,2,0,0,0,0|0,0,0]=2 4676 B13R0.330 CCCCSCC(=O)CC(=O)CCC 1458a_100000191162_100000747444 [0,2,0,0,0,0|1,0,1]=4 4677 B13R0.330 CCCCSCC(=O)CC(=O)NCC 1458a_100000191162_100000183381 [0,2,0,0,0,0|1,0,1]=4 4678 B13R0.330 CCCCSCC(=O)CC(=O)OCC 1458a_100000191162_100000188475 [0,2,0,0,0,0|0,0,1]=3 4679 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210211_100000210311 [0,2,0,0,0,0|0,0,1]=3 4680 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210210 [0,2,0,0,0,0|0,0,1]=3 4681 B13R0.330 CCCCSCC(=O)NC(=O)NCC 62a_100000210211_100000183762 [0,2,0,0,0,0|2,0,0]=4 4682 B13R0.330 CCCCSCC(=O)NC(=O)OCC 62a_100000210211_100000010344 [0,2,0,0,0,0|1,0,0]=3 4683 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000210211_100000688340 [0,2,0,0,0,0|0,0,2]=4 4684 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210210 [0,2,0,0,0,0|0,0,2]=4 4685 B13R0.330 CCCNN=C/C(=C/C(=O)OCC)/C 4a_100000740057_200016988100 [0,2,0,0,0,0|1,0,1]=4 4686 B13R0.330 CCCOCCC(=O)C=C(C)CCC 1458a_100020676950_100011215938 [0,2,0,0,0,0|2,0,0]=4 4687 B13R0.330 CCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215938 [0,2,0,0,0,0|0,0,1]=3 4688 B13R0.330 CCCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215938 [0,2,0,0,0,0|1,0,1]=4 4689 B13R0.330 CCNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183381 [0,2,0,0,0,0|1,0,1]=4 4690 B13R0.330 CCOC(=O)C=C(C)CNCCCF 2230a_100015189416_100135422193 [0,2,0,0,0,0|1,0,0]=3 4691 B13R0.330 CCOC(=O)C=C(C)CNCCCF 34a_100015189416_100135422193 [0,2,0,0,0,0|1,0,0]=3 4692 B13R0.330 CCOC(=O)C=C(C)CNCCOC 2230a_100000209980_100135422193 [0,2,0,0,0,0|1,0,0]=3 4693 B13R0.330 CCOC(=O)C=C(C)CNCCSC 2230a_100020590264_100135422193 [0,2,0,0,0,0|1,0,0]=3 4694 B13R0.330 CCOC(=O)C=C(C)COCCCBr 34a_100011217188_100135422193 [0,2,0,0,0,0|1,0,0]=3 4695 B13R0.330 CCOC(=O)C=C(C)COCCCCl 34a_100000230001_100135422193 [0,2,0,0,0,0|1,0,0]=3 4696 B13R0.330 CCOC(=O)C=C(C)COCCCF 34a_100000759539_100135422193 [0,2,0,0,0,0|1,0,0]=3 4697 B13R0.330 CCOC(=O)C=C(C)COCCCN 34a_100000182051_100135422193 [0,2,0,0,0,0|1,0,0]=3 4698 B13R0.330 CCOC(=O)C=C(C)COCCOC 34a_100000210237_100135422193 [0,2,0,0,0,0|1,0,0]=3 4699 B13R0.330 CCOC(=O)C=C(C)COCCON 34a_100000700252_100135422193 [0,2,0,0,0,0|2,0,0]=4 4700 B13R0.330 CCOC(=O)C=C(C)COCCSC 34a_100000230434_100135422193 [0,2,0,0,0,0|1,0,0]=3 4701 B13R0.330 CCOC(=O)C=C(C)COCCSC 7a_100000230434_100135422193 [0,2,0,0,0,0|1,0,0]=3 4702 B13R0.330 CCOC(=O)C=C(C)CSCCC#N 62a_100011215226_100135422193 [0,2,0,0,0,0|1,0,1]=4 4703 B13R0.330 CCOC(=O)C=C(C)CSCCC#N 62a_100135422193_100011215226 [0,2,0,0,0,0|1,0,1]=4 4704 B13R0.330 CCOC(=O)C=C(C)CSCCCF 62a_100011934791_100135422193 [0,2,0,0,0,0|1,0,0]=3 4705 B13R0.330 CCOC(=O)C=C(C)CSCCCF 62a_100135422193_100011934791 [0,2,0,0,0,0|1,0,0]=3 4706 B13R0.330 CCOC(=O)C=C(C)CSCCCO 62a_100011215043_100135422193 [0,2,0,0,0,0|1,0,0]=3 4707 B13R0.330 CCOC(=O)C=C(C)CSCCCO 62a_100135422193_100011215043 [0,2,0,0,0,0|1,0,0]=3 4708 B13R0.330 CCOC(=O)C=C(C)CSCCOC 62a_100000233755_100135422193 [0,2,0,0,0,0|1,0,0]=3 4709 B13R0.330 CCOC(=O)C=C(C)CSCCOC 62a_100135422193_100000233755 [0,2,0,0,0,0|1,0,0]=3 4710 B13R0.330 CCOC(=O)C=C(C)CSCCSC 62a_100000212216_100135422193 [0,2,0,0,0,0|1,0,0]=3 4711 B13R0.330 CCOC(=O)C=C(C)CSCCSC 62a_100135422193_100000751147 [0,2,0,0,0,0|1,0,0]=3 4712 B13R0.330 CCOC(=O)CC(=O)CCCCC#N 1458a_100000243816_100000211819 [0,2,0,0,0,0|0,0,2]=4 4713 B13R0.330 CCOC(=O)CC(=O)CCCCCF 1458a_100000243816_100000729378 [0,2,0,0,0,0|0,0,1]=3 4714 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100000243816_100000746330 [0,2,0,0,0,0|0,0,1]=3 4715 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100102619762_100000188475 [0,2,0,0,0,0|0,0,1]=3 4716 B13R0.330 CCOC(=O)CC(=O)CCCCOC 1458a_100000243816_100000755781 [0,2,0,0,0,0|0,0,1]=3 4717 B13R0.330 CCOC(=O)CC(=O)CCOCCO 1458a_100000243816_100011215305 [0,2,0,0,0,0|1,0,1]=4 4718 B13R0.330 CCOC(=O)CC(=O)CCOCCO 1458a_100011229844_100000188475 [0,2,0,0,0,0|1,0,1]=4 4719 B13R0.330 CCOC(=O)CC(=O)COCCOC 1458a_100000211095_100000188475 [0,2,0,0,0,0|1,0,1]=4 4720 B13R0.330 CCOC(=O)CC(=O)CSCCCF 62a_100000210311_100011934791 [0,2,0,0,0,0|1,0,1]=4 4721 B13R0.330 CCOC(=O)CC(=O)CSCCCF 62a_100011934791_100000210311 [0,2,0,0,0,0|1,0,1]=4 4722 B13R0.330 CCOC(=O)CC(=O)CSCCCO 62a_100000210311_100011215043 [0,2,0,0,0,0|1,0,1]=4 4723 B13R0.330 CCOC(=O)CC(=O)CSCCCO 62a_100011215043_100000210311 [0,2,0,0,0,0|1,0,1]=4 4724 B13R0.330 CCOC(=O)CC(=O)CSCCOC 62a_100000210311_100000233755 [0,2,0,0,0,0|1,0,1]=4 4725 B13R0.330 CCOC(=O)CC(=O)CSCCOC 62a_100000233755_100000210311 [0,2,0,0,0,0|1,0,1]=4 4726 B13R0.330 CCOC(=O)CC(=O)CSCCSC 62a_100000210311_100000751147 [0,2,0,0,0,0|1,0,1]=4 4727 B13R0.330 CCOC(=O)CC(=O)CSCCSC 62a_100000212216_100000210311 [0,2,0,0,0,0|1,0,1]=4 4728 B13R0.330 CCOC(=O)CC(=O)NCCCCO 240690a_100000750430_100000243816 [0,2,0,0,0,0|1,0,1]=4 4729 B13R0.330 CCOC(=O)CC(=O)NCCCOC 240690a_100150723488_100000243816 [0,2,0,0,0,0|1,0,1]=4 4730 B13R0.330 CCOC(=O)CC(=O)NCCCSC 240690a_100000749238_100000243816 [0,2,0,0,0,0|1,0,1]=4 4731 B13R0.330 CCOC(=O)CC(=O)NCCSCC 240690a_100000106463_100000243816 [0,2,0,0,0,0|1,0,1]=4 4732 B13R0.330 CCOC(=O)CN(C)CCCCCF 2230a_100000220588_100000729378 [0,2,0,0,0,0|1,0,1]=4 4733 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000220588_100000746330 [0,2,0,0,0,0|1,0,1]=4 4734 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000722520_100000188475 [0,2,0,0,0,0|1,0,1]=4 4735 B13R0.330 CCOC(=O)CN(C)CCCCCO 269982a_100000722520_100000188475 [0,2,0,0,0,0|1,0,1]=4 4736 B13R0.330 CCOC(=O)CN(C)CCCCOC 2230a_100000220588_100000730899 [0,2,0,0,0,0|1,0,1]=4 4737 B13R0.330 CCOC(=O)NC(=O)COCCSC 7a_100000230434_100000010344 [0,2,0,0,0,0|2,0,0]=4 4738 B13R0.330 CCOC(=O)NC(=O)CSCCCF 62a_100011934791_100000010344 [0,2,0,0,0,0|2,0,0]=4 4739 B13R0.330 CCOC(=O)NC(=O)CSCCCO 62a_100011215043_100000010344 [0,2,0,0,0,0|2,0,0]=4 4740 B13R0.330 CCOC(=O)NC(=O)CSCCOC 62a_100000233755_100000010344 [0,2,0,0,0,0|2,0,0]=4 4741 B13R0.330 CCOC(=O)NC(=O)CSCCSC 62a_100000212216_100000010344 [0,2,0,0,0,0|2,0,0]=4 4742 B13R0.330 CCOCCCC(=O)CC(=O)OCC 1458a_100000243816_100012232248 [0,2,0,0,0,0|0,0,1]=3 4743 B13R0.330 CCOCCCN(C)CC(=O)OCC 2230a_100000220588_100012232248 [0,2,0,0,0,0|1,0,1]=4 4744 B13R0.330 CCOCCNC(=O)CC(=O)OCC 240690a_100011200944_100000243816 [0,2,0,0,0,0|1,0,1]=4 4745 B13R0.330 CCOCSCC(=CC(=O)OCC)C 62a_100000739092_100135422193 [0,2,0,0,0,0|1,0,0]=3 4746 B13R0.330 CCOCSCC(=CC(=O)OCC)C 62a_100135422193_100000739092 [0,2,0,0,0,0|1,0,0]=3 4747 B13R0.330 CCOCSCC(=O)CC(=O)OCC 62a_100000210311_100000739092 [0,2,0,0,0,0|1,0,1]=4 4748 B13R0.330 CCOCSCC(=O)CC(=O)OCC 62a_100000739092_100000210311 [0,2,0,0,0,0|1,0,1]=4 4749 B13R0.330 CCOCSCC(=O)NC(=O)OCC 62a_100000739092_100000010344 [0,2,0,0,0,0|2,0,0]=4 4750 B13R0.335 C=C(C)CC(=O)C/C=C/CCCCC 1458a_100020675968_100000748629 [0,2,0,0,0,0|1,0,1]=4 4751 B13R0.335 C=C(C)CC(=O)C=CCCCCCC 1458a_200015324643_100000748629 [0,2,0,0,0,0|1,0,1]=4 4752 B13R0.335 CC(C)OC(=O)CNCCCCCO 2230a_100000762737_100011215430 [0,2,0,0,0,0|1,0,1]=4 4753 B13R0.335 CC(C)OC(=O)CNCCCCCO 34a_100000762737_100011215430 [0,2,0,0,0,0|1,0,1]=4 4754 B13R0.335 CC(C)OC(=O)COCCCCCBr 34a_100000746331_100011215430 [0,2,0,0,0,0|1,0,1]=4 4755 B13R0.335 CC(C)OC(=O)COCCCCCBr 7a_100000746331_100011215430 [0,2,0,0,0,0|1,0,1]=4 4756 B13R0.335 CC(C)OC(=O)COCCCCCCl 34a_100000746330_100011215430 [0,2,0,0,0,0|1,0,1]=4 4757 B13R0.335 CC(C)OC(=O)COCCCCCCl 7a_100000746330_100011215430 [0,2,0,0,0,0|1,0,1]=4 4758 B13R0.335 CC(C)OC(=O)COCCCCCI 34a_200012148887_100011215430 [0,2,0,0,0,0|1,0,1]=4 4759 B13R0.335 CC(C)OC(=O)COCCCCCI 7a_200012148887_100011215430 [0,2,0,0,0,0|1,0,1]=4 4760 B13R0.335 CC(C)OC(=O)COCCCCCN 34a_100000762737_100011215430 [0,2,0,0,0,0|1,0,1]=4 4761 B13R0.335 CC(C)OC(=O)CSCCCCCF 62a_100000729378_100011215430 [0,2,0,0,0,0|1,0,1]=4 4762 B13R0.335 CC(C)OC(=O)CSCCCCCF 62a_100011215430_100000729378 [0,2,0,0,0,0|1,0,1]=4 4763 B13R0.335 CC(C)OC(=O)CSCCCCCO 62a_100000746330_100011215430 [0,2,0,0,0,0|1,0,1]=4 4764 B13R0.335 CC(C)OC(=O)CSCCCCCO 62a_100011215430_100000746330 [0,2,0,0,0,0|1,0,1]=4 4765 B13R0.335 CCCCC/C=C/CC(=O)CC(C)C 1458a_100020675968_100000210624 [0,2,0,0,0,0|1,0,0]=3 4766 B13R0.335 CCCCC/C=C/CC(=O)CC(C)O 1458a_100020675968_100011218427 [0,2,0,0,0,0|1,0,0]=3 4767 B13R0.335 CCCCC/C=C/CC(=O)CC(F)F 1458a_100020675968_100011934356 [0,2,0,0,0,0|2,0,0]=4 4768 B13R0.335 CCCCC/C=C/CC(=O)NC(C)C 11a_100138425928_100020675968 [0,2,0,0,0,0|1,0,0]=3 4769 B13R0.335 CCCCC/C=C/CC(=O)NC(C)C 1626a_100138425928_100020675968 [0,2,0,0,0,0|1,0,0]=3 4770 B13R0.335 CCCCC/C=C/CC(=O)NC(C)C 240690a_100138425928_100020675968 [0,2,0,0,0,0|1,0,0]=3 4771 B13R0.335 CCCCCC=NNC(=O)CC(C)C 4a_100000189787_100000737632 [0,2,0,0,0,0|2,0,0]=4 4772 B13R0.335 CCCCCCC=CC(=O)CC(C)C 1458a_200015324643_100000210624 [0,2,0,0,0,0|1,0,0]=3 4773 B13R0.335 CCCCCCC=CC(=O)CC(C)O 1458a_200015324643_100011218427 [0,2,0,0,0,0|1,0,0]=3 4774 B13R0.335 CCCCCCC=CC(=O)CC(F)F 1458a_200015324643_100011934356 [0,2,0,0,0,0|2,0,0]=4 4775 B13R0.335 CCCCCCC=CC(=O)NC(C)C 11a_100138425928_200015324643 [0,2,0,0,0,0|1,0,0]=3 4776 B13R0.335 CCCCCCC=CC(=O)NC(C)C 1626a_100138425928_200015324643 [0,2,0,0,0,0|1,0,0]=3 4777 B13R0.335 CCCCCCC=CC(=O)NC(C)C 240690a_100138425928_200015324643 [0,2,0,0,0,0|1,0,0]=3 4778 B13R0.335 CCCCCCNCC(=O)OC(C)C 2230a_100000210581_100011215430 [0,2,0,0,0,0|0,0,2]=4 4779 B13R0.335 CCCCCCOCC(=O)OC(C)C 34a_100000210259_100011215430 [0,2,0,0,0,0|0,0,2]=4 4780 B13R0.335 CCCCCCOCC(=O)OC(C)C 7a_100000210259_100011215430 [0,2,0,0,0,0|0,0,2]=4 4781 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100000210314_100011215430 [0,2,0,0,0,0|0,0,2]=4 4782 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210757 [0,2,0,0,0,0|0,0,2]=4 4783 B13R0.335 CCCCCNCCC(=O)OC(C)C 2230a_100000209983_100000760027 [0,2,0,0,0,0|0,0,2]=4 4784 B13R0.335 CCCCCOCCC(=O)OC(C)C 7a_100000210253_100000760027 [0,2,0,0,0,0|0,0,2]=4 4785 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000210326_100000760027 [0,2,0,0,0,0|0,0,2]=4 4786 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210326 [0,2,0,0,0,0|0,0,2]=4 4787 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210326 [0,2,0,0,0,0|1,0,1]=4 4788 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000210326_100000003507 [0,2,0,0,0,0|1,0,1]=4 4789 B13R0.335 CCCCOCSCC(=O)OC(C)C 62a_100011215430_100011995733 [0,2,0,0,0,0|1,0,1]=4 4790 B13R0.335 CCCCOCSCC(=O)OC(C)C 62a_100011995733_100011215430 [0,2,0,0,0,0|1,0,1]=4 4791 B13R0.335 CCCOCCNCC(=O)OC(C)C 2230a_100161115042_100011215430 [0,2,0,0,0,0|1,0,1]=4 4792 B13R0.335 CCCOCCNCC(=O)OC(C)C 34a_100161115042_100011215430 [0,2,0,0,0,0|1,0,1]=4 4793 B13R0.335 CCCOCCOCC(=O)OC(C)C 34a_100000752267_100011215430 [0,2,0,0,0,0|1,0,1]=4 4794 B13R0.335 CCCOCCOCC(=O)OC(C)C 7a_100000752267_100011215430 [0,2,0,0,0,0|1,0,1]=4 4795 B13R0.335 CCCOCCSCC(=O)OC(C)C 62a_100011215430_100011215938 [0,2,0,0,0,0|1,0,1]=4 4796 B13R0.335 CCCOCCSCC(=O)OC(C)C 62a_100011215938_100011215430 [0,2,0,0,0,0|1,0,1]=4 4797 B13R0.335 CCCSCCNCC(=O)OC(C)C 2230a_100020603323_100011215430 [0,2,0,0,0,0|1,0,1]=4 4798 B13R0.335 CCCSCCOCC(=O)OC(C)C 34a_200000230433_100011215430 [0,2,0,0,0,0|1,0,1]=4 4799 B13R0.335 CCCSCCOCC(=O)OC(C)C 7a_200000230433_100011215430 [0,2,0,0,0,0|1,0,1]=4 4800 B13R0.335 CCNCCCCCC(=O)OC(C)C 2230a_100015525214_200010986244 [0,2,0,0,0,0|0,0,2]=4 4801 B13R0.335 CCOCCCCCC(=O)OC(C)C 34a_100121572206_200010986244 [0,2,0,0,0,0|0,0,2]=4 4802 B13R0.335 CCOCCCNCC(=O)OC(C)C 2230a_100000210961_100011215430 [0,2,0,0,0,0|1,0,1]=4 4803 B13R0.335 CCOCCCNCC(=O)OC(C)C 34a_100000210961_100011215430 [0,2,0,0,0,0|1,0,1]=4 4804 B13R0.335 CCOCCCOCC(=O)OC(C)C 34a_100000757476_100011215430 [0,2,0,0,0,0|1,0,1]=4 4805 B13R0.335 CCOCCCOCC(=O)OC(C)C 7a_100000757476_100011215430 [0,2,0,0,0,0|1,0,1]=4 4806 B13R0.335 CCOCCCSCC(=O)OC(C)C 62a_100011215430_100012232248 [0,2,0,0,0,0|1,0,1]=4 4807 B13R0.335 CCOCCCSCC(=O)OC(C)C 62a_100012232248_100011215430 [0,2,0,0,0,0|1,0,1]=4 4808 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_100000210202_200010986244 [0,2,0,0,0,0|0,0,2]=4 4809 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210202 [0,2,0,0,0,0|0,0,2]=4 4810 B13R0.335 CCSCCCOCC(=O)OC(C)C 34a_100011216438_100011215430 [0,2,0,0,0,0|1,0,1]=4 4811 B13R0.335 CCSCCCOCC(=O)OC(C)C 7a_100011216438_100011215430 [0,2,0,0,0,0|1,0,1]=4 4812 B13R0.335 COCCCCOCC(=O)OC(C)C 34a_100000740925_100011215430 [0,2,0,0,0,0|1,0,1]=4 4813 B13R0.335 COCCCCSCC(=O)OC(C)C 62a_100000730899_100011215430 [0,2,0,0,0,0|1,0,1]=4 4814 B13R0.335 COCCCCSCC(=O)OC(C)C 62a_100011215430_100000730899 [0,2,0,0,0,0|1,0,1]=4 4815 B13R0.335 CSCCCCOCC(=O)OC(C)C 34a_100011217163_100011215430 [0,2,0,0,0,0|1,0,1]=4 4816 B13R0.335 CSCCCCOCC(=O)OC(C)C 7a_100011217163_100011215430 [0,2,0,0,0,0|1,0,1]=4 4817 B13R0.340 CCCCC/C=C/CC(=O)C(C)CC 1458a_100020675968_100000758301 [0,2,0,0,0,0|1,0,0]=3 4818 B13R0.340 CCCCC/C=C/CC(=O)N(C)CC 11a_100000225621_100020675968 [0,2,0,0,0,0|1,0,0]=3 4819 B13R0.340 CCCCC/C=C/CC(=O)N(C)CC 1626a_100000225621_100020675968 [0,2,0,0,0,0|1,0,0]=3 4820 B13R0.340 CCCCC/C=C/CC(=O)N(C)CC 240690a_100000225621_100020675968 [0,2,0,0,0,0|1,0,0]=3 4821 B13R0.340 CCCCCC=NNC(=O)C(C)CC 4a_100000740736_100000737632 [0,2,0,0,0,0|2,0,0]=4 4822 B13R0.340 CCCCCCC=CC(=O)C(C)CC 1458a_200015324643_100000758301 [0,2,0,0,0,0|1,0,0]=3 4823 B13R0.340 CCCCCCC=CC(=O)N(C)CC 11a_100000225621_200015324643 [0,2,0,0,0,0|1,0,0]=3 4824 B13R0.340 CCCCCCC=CC(=O)N(C)CC 1626a_100000225621_200015324643 [0,2,0,0,0,0|1,0,0]=3 4825 B13R0.340 CCCCCCC=CC(=O)N(C)CC 240690a_100000225621_200015324643 [0,2,0,0,0,0|1,0,0]=3 4826 B13R0.367 C#CCC(C)OC/C=C/C(=O)OCC 34a_100000685586_100016267167 [0,2,0,0,0,0|0,0,2]=4 4827 B13R0.367 C#CCC(C)OC/C=C/C(=O)OCC 7a_100000685586_100016267167 [0,2,0,0,0,0|0,0,2]=4 4828 B13R0.367 C/C=C/C(C)OC/C=C/C(=O)OCC 34a_200102604097_100016267167 [0,2,0,0,0,0|0,0,2]=4 4829 B13R0.367 C=CC[C@@H](C)OC/C=C/C(=O)OCC 34a_100000731007_100016267167 [0,2,0,0,0,0|0,0,2]=4 4830 B13R0.367 C=CC[C@@H](C)OC/C=C/C(=O)OCC 7a_100000731007_100016267167 [0,2,0,0,0,0|0,0,2]=4 4831 B13R0.367 CC#CC(C)OC/C=C/C(=O)OCC 34a_100011216543_100016267167 [0,2,0,0,0,0|0,0,2]=4 4832 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100000211992_100000750268 [0,2,0,0,0,0|0,0,2]=4 4833 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210303 [0,2,0,0,0,0|0,0,2]=4 4834 B13R0.367 CCCC(=O)CCOCC(=O)OCC 1458a_100000211992_100000088970 [0,2,0,0,0,0|1,0,1]=4 4835 B13R0.367 CCCC(C)CCOCC(=O)OCC 34a_100011217855_100000188475 [0,2,0,0,0,0|0,0,2]=4 4836 B13R0.367 CCCC(C)CCOCC(=O)OCC 7a_100011217855_100000188475 [0,2,0,0,0,0|0,0,2]=4 4837 B13R0.367 CCCC(C)COCCC(=O)OCC 34a_100000688023_100000765890 [0,2,0,0,0,0|0,0,2]=4 4838 B13R0.367 CCCC(C)COCCC(=O)OCC 7a_100000688023_100011206558 [0,2,0,0,0,0|0,0,2]=4 4839 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100000765890_100011216630 [0,2,0,0,0,0|0,0,2]=4 4840 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100011216630_100000765890 [0,2,0,0,0,0|0,0,2]=4 4841 B13R0.367 CCCC(C)CSCOC(=O)OCC 62a_100011216630_100000075025 [0,2,0,0,0,0|1,0,1]=4 4842 B13R0.367 CCCC(C)NC/C=C/C(=O)OCC 2230a_100000741246_100016267167 [0,2,0,0,0,0|0,0,0]=2 4843 B13R0.367 CCCC(C)NCCCC(=O)OCC 2230a_100000741246_100009991533 [0,2,0,0,0,0|0,0,2]=4 4844 B13R0.367 CCCC(C)OC/C=C/C(=O)OCC 34a_100000764384_100016267167 [0,2,0,0,0,0|0,0,0]=2 4845 B13R0.367 CCCC(C)OC/C=C/C(=O)OCC 7a_100000764384_100016267167 [0,2,0,0,0,0|0,0,0]=2 4846 B13R0.367 CCCC(C)OCCCC(=O)OCC 34a_100000764384_100009991533 [0,2,0,0,0,0|0,0,2]=4 4847 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100000764384_100011215271 [0,2,0,0,0,0|0,0,2]=4 4848 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100012001163_100000766640 [0,2,0,0,0,0|0,0,2]=4 4849 B13R0.367 CCCC(C)OCCNC(=O)OCC 34a_100000158857_100000766640 [0,2,0,0,0,0|1,0,1]=4 4850 B13R0.367 CCCC(C)OCCNC(=O)OCC 7a_100000764384_200011445536 [0,2,0,0,0,0|1,0,1]=4 4851 B13R0.367 CCCC(C)SC/C=C/C(=O)OCC 62a_100000766640_100016267167 [0,2,0,0,0,0|0,0,0]=2 4852 B13R0.367 CCCC(C)SC/C=C/C(=O)OCC 62a_100016267167_100000766640 [0,2,0,0,0,0|0,0,0]=2 4853 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100000766640_100009991533 [0,2,0,0,0,0|0,0,2]=4 4854 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100009991533_100000766640 [0,2,0,0,0,0|0,0,2]=4 4855 B13R0.367 CCCC(C)SCCNC(=O)OCC 62a_100000766640_200011445536 [0,2,0,0,0,0|1,0,1]=4 4856 B13R0.367 CCCN(C)CC=NNC(=O)OCC 269982a_100000747261_100015372823 [0,2,0,0,0,0|2,0,0]=4 4857 B13R0.367 CCCN(C)CCCCC(=O)OCC 2230a_100000747261_100000750268 [0,2,0,0,0,0|0,0,2]=4 4858 B13R0.367 CCCN(C)CCCCC(=O)OCC 269982a_100000747261_100000750268 [0,2,0,0,0,0|0,0,2]=4 4859 B13R0.367 CCCN(C)CCOCC(=O)OCC 2230a_100000747261_100000088970 [0,2,0,0,0,0|1,0,1]=4 4860 B13R0.367 CCCN(C)CCOCC(=O)OCC 269982a_100000747261_100000088970 [0,2,0,0,0,0|1,0,1]=4 4861 B13R0.367 CCC[C@H](N)CCOCC(=O)OCC 34a_100015193777_100000188475 [0,2,0,0,0,0|0,0,2]=4 4862 B13R0.367 CCC[C@H](N)COCCC(=O)OCC 34a_100000732646_100000765890 [0,2,0,0,0,0|0,0,2]=4 4863 B13R0.367 CCOC(=O)/C=C/CN[C@@H](C)CC#N 2230a_100016994482_100016267167 [0,2,0,0,0,0|1,0,1]=4 4864 B13R0.367 CCOC(=O)/C=C/CN[C@H](C)CCO 2230a_100000706166_100016267167 [0,2,0,0,0,0|1,0,0]=3 4865 B13R0.367 CCOC(=O)/C=C/CN[C@H](C)CCO 34a_100000706166_100016267167 [0,2,0,0,0,0|1,0,0]=3 4866 B13R0.367 CCOC(=O)/C=C/CN[C@H](C)COC 2230a_100000764878_100016267167 [0,2,0,0,0,0|1,0,0]=3 4867 B13R0.367 CCOC(=O)/C=C/COC(C)CCBr 34a_100012276601_100016267167 [0,2,0,0,0,0|1,0,0]=3 4868 B13R0.367 CCOC(=O)/C=C/CO[C@H](C)COC 34a_100011934205_100016267167 [0,2,0,0,0,0|1,0,0]=3 4869 B13R0.367 CCOC(=O)/C=C/CSC(C)CC#N 62a_100009813641_100016267167 [0,2,0,0,0,0|1,0,1]=4 4870 B13R0.367 CCOC(=O)/C=C/CSC(C)CC#N 62a_100016267167_100009813641 [0,2,0,0,0,0|1,0,1]=4 4871 B13R0.367 CCOC(=O)/C=C/CSC(C)CCO 62a_100009893172_100016267167 [0,2,0,0,0,0|1,0,0]=3 4872 B13R0.367 CCOC(=O)/C=C/CSC(C)CCO 62a_100016267167_100009893172 [0,2,0,0,0,0|1,0,0]=3 4873 B13R0.367 CCOC(=O)/C=C/CSC(C)COC 62a_100000765312_100016267167 [0,2,0,0,0,0|1,0,0]=3 4874 B13R0.367 CCOC(=O)/C=C/CSC(C)COC 62a_100016267167_100000765312 [0,2,0,0,0,0|1,0,0]=3 4875 B13R0.367 CCOC(=O)C=NNCC(O)CSC 4a_200000122717_100000742314 [0,2,0,0,0,0|2,0,0]=4 4876 B13R0.115 CCCCC(C)NCC(=O)OC(C)C 2230a_100000126638_100011215430 [0,2,0,0,0,0|1,0,1]=4 4877 B13R0.115 CCCCC(C)OCC(=O)OC(C)C 34a_100000687866_100011215430 [0,2,0,0,0,0|1,0,1]=4 4878 B13R0.115 CCCCC(C)OCC(=O)OC(C)C 7a_100000687866_100011215430 [0,2,0,0,0,0|1,0,1]=4 4879 B13R0.115 CCCCC(C)SCC(=O)OC(C)C 62a_100011215430_200011215066 [0,2,0,0,0,0|1,0,1]=4 4880 B13R0.115 CCCCC(C)SCC(=O)OC(C)C 62a_200011215066_100011215430 [0,2,0,0,0,0|1,0,1]=4 4881 B13R0.115 CCCNC(=O)C=CC(=O)OC(C)C 1626a_100020643023_200016297642 [0,2,0,0,0,0|1,0,1]=4 4882 B13R0.178 CC(C)CCCNCC(=O)OC(C)C 2230a_200000737386_100011215430 [0,2,0,0,0,0|1,0,1]=4 4883 B13R0.178 CC(C)CCCNCC(=O)OC(C)C 34a_200000737386_100011215430 [0,2,0,0,0,0|1,0,1]=4 4884 B13R0.178 CC(C)CCCOCC(=O)OC(C)C 34a_100000210774_100011215430 [0,2,0,0,0,0|1,0,1]=4 4885 B13R0.178 CC(C)CCCOCC(=O)OC(C)C 7a_100000210774_100011215430 [0,2,0,0,0,0|1,0,1]=4 4886 B13R0.178 CC(C)CCCSCC(=O)OC(C)C 62a_100011214892_100011215430 [0,2,0,0,0,0|1,0,1]=4 4887 B13R0.178 CC(C)CCCSCC(=O)OC(C)C 62a_100011215430_100011214892 [0,2,0,0,0,0|1,0,1]=4 4888 B13R0.178 CC(O)CCCSCC(=O)OC(C)C 62a_100011215430_200000718107 [0,2,0,0,0,0|1,0,1]=4 4889 B13R0.178 CC(O)CCCSCC(=O)OC(C)C 62a_200000718107_100011215430 [0,2,0,0,0,0|1,0,1]=4 4890 B13R0.198 CCC(C)CCNCC(=O)OC(C)C 2230a_100020591266_100011215430 [0,2,0,0,0,0|1,0,1]=4 4891 B13R0.198 CCC(C)CCOCC(=O)OC(C)C 7a_100011215188_100011215430 [0,2,0,0,0,0|1,0,1]=4 4892 B13R0.274 C#CC(C)NC(=O)C=CCCCCC 11a_100000707721_100016263427 [0,2,0,0,0,0|1,0,0]=3 4893 B13R0.274 C#CC(C)NC(=O)C=CCCCCC 1626a_100000707721_100016263427 [0,2,0,0,0,0|1,0,0]=3 4894 B13R0.274 C#CC(C)NC(=O)C=CCCCCC 240690a_100000707721_100016263427 [0,2,0,0,0,0|1,0,0]=3 4895 B13R0.274 CCCCCC=CC(=O)CC(=O)CC 1458a_100016263427_100000747405 [0,2,0,0,0,0|1,0,0]=3 4896 B13R0.274 CCCCCC=CC(=O)CC(=O)NC 1458a_100016263427_100000183359 [0,2,0,0,0,0|1,0,1]=4 4897 B13R0.274 CCCCCC=CC(=O)CC(=O)OC 1458a_100016263427_100000747449 [0,2,0,0,0,0|1,0,1]=4 4898 B13R0.274 CCCCCC=CC(=O)CC(C)CC 1458a_100016263427_100000748023 [0,2,0,0,0,0|1,0,0]=3 4899 B13R0.274 CCCCCC=CC(=O)CC(O)CC 1458a_100016263427_100011218378 [0,2,0,0,0,0|1,0,0]=3 4900 B13R0.274 CCCCCC=CC(=O)C[C@@H](C)CC 1458a_100016263427_100009816398 [0,2,0,0,0,0|1,0,0]=3 4901 B13R0.274 CCCCCC=CC(=O)C[C@@H](C)CO 1458a_100016263427_100000059175 [0,2,0,0,0,0|1,0,0]=3 4902 B13R0.274 CCCCCC=CC(=O)NC(C)C#N 11a_100000737613_100016263427 [0,2,0,0,0,0|1,0,0]=3 4903 B13R0.274 CCCCCC=CC(=O)NC(C)C#N 1626a_100000737613_100016263427 [0,2,0,0,0,0|1,0,0]=3 4904 B13R0.274 CCCCCC=CC(=O)NC(C)CC 11a_100000209981_100016263427 [0,2,0,0,0,0|1,0,0]=3 4905 B13R0.274 CCCCCC=CC(=O)NC(C)CC 1626a_100000209981_100016263427 [0,2,0,0,0,0|1,0,0]=3 4906 B13R0.274 CCCCCC=CC(=O)NC(C)CC 240690a_100000209981_100016263427 [0,2,0,0,0,0|1,0,0]=3 4907 B13R0.274 CCCCCC=CC(=O)N[C@H](C)CF 11a_100102880703_100016263427 [0,2,0,0,0,0|1,0,0]=3 4908 B13R0.274 CCCCCC=CC(=O)N[C@H](C)CF 1626a_100102880703_100016263427 [0,2,0,0,0,0|1,0,0]=3 4909 B13R0.274 CCCCCC=CC(=O)N[C@H](C)CF 240690a_100102880703_100016263427 [0,2,0,0,0,0|1,0,0]=3 4910 B13R0.274 CCCCCC=CC(=O)N[C@H](C)CO 240690a_100000737577_100016263427 [0,2,0,0,0,0|1,0,0]=3 4911 B13R0.286 CCCCCC=CC(=O)C[Si](C)(C)C 1458a_100016263427_100000233785 [0,2,0,0,0,0|1,1,0]=4 4912 B13R0.286 CCCCCC=CC(=O)NC(C)(C)C 11a_100000715429_100016263427 [0,2,0,0,0,0|1,0,0]=3 4913 B13R0.286 CCCCCC=CC(=O)NC(C)(C)C 1626a_100000715429_100016263427 [0,2,0,0,0,0|1,0,0]=3 4914 B13R0.286 CCCCCC=CC(=O)NC(C)(C)C 240690a_100000715429_100016263427 [0,2,0,0,0,0|1,0,0]=3 4915 B13R0.286 CCCCCC=CC(=O)NS(=O)(=O)C 2740a_100000171171_100016263427 [0,2,0,0,0,0|2,0,0]=4 4916 B13R0.286 CCCCCNCC(=O)OC(C)(C)C 2230a_100000209983_100000183872 [0,2,0,0,0,0|1,0,1]=4 4917 B13R0.286 CCCCCOCC(=O)OC(C)(C)C 34a_100000210253_100000183872 [0,2,0,0,0,0|1,0,1]=4 4918 B13R0.286 CCCCCOCC(=O)OC(C)(C)C 34a_100000752683_100000718602 [0,2,0,0,0,0|1,0,1]=4 4919 B13R0.286 CCCCCOCC(=O)OC(C)(C)C 7a_100000210253_100000183872 [0,2,0,0,0,0|1,0,1]=4 4920 B13R0.286 CCCCCSCC(=O)OC(C)(C)C 62a_100000183872_100000210326 [0,2,0,0,0,0|1,0,1]=4 4921 B13R0.286 CCCCCSCC(=O)OC(C)(C)C 62a_100000210326_100000183872 [0,2,0,0,0,0|1,0,1]=4 4922 B13R0.332 C=C(C)CN(C)C/C=C/C(=O)OCC 2230a_100000225649_100016267167 [0,2,0,0,0,0|1,0,1]=4 4923 B13R0.332 C=C(C)CN(C)C/C=C/C(=O)OCC 269982a_100000225649_100016267167 [0,2,0,0,0,0|1,0,1]=4 4924 B13R0.332 CCCC(C)COCC(=O)OC(C)C 34a_100000688023_100011215430 [0,2,0,0,0,0|1,0,1]=4 4925 B13R0.332 CCCC(C)COCC(=O)OC(C)C 7a_100000688023_100011215430 [0,2,0,0,0,0|1,0,1]=4 4926 B13R0.332 CCCC(C)CSCC(=O)OC(C)C 62a_100011215430_100011216630 [0,2,0,0,0,0|1,0,1]=4 4927 B13R0.332 CCCC(C)CSCC(=O)OC(C)C 62a_100011216630_100011215430 [0,2,0,0,0,0|1,0,1]=4 4928 B13R0.332 CCC[C@H](N)COCC(=O)OC(C)C 34a_100000732646_100011215430 [0,2,0,0,0,0|1,0,1]=4 4929 B13R0.332 CCOC(=O)/C=C/CN(C)CC(C)C 2230a_100000747067_100016267167 [0,2,0,0,0,0|1,0,0]=3 4930 B13R0.332 CCOC(=O)/C=C/CN(C)CC(C)C 269982a_100000747067_100016267167 [0,2,0,0,0,0|1,0,0]=3 4931 B13R0.332 CCOC(=O)/C=C/CN(C)CC(C)O 2230a_100000227577_100016267167 [0,2,0,0,0,0|1,0,0]=3 4932 B13R0.332 CCOC(=O)/C=C/CN(C)CC(C)O 269982a_100000227577_100016267167 [0,2,0,0,0,0|1,0,0]=3 4933 B13R0.332 CCOC(=O)COC[C@@H](N)CC(C)C 34a_100011830311_100000188475 [0,2,0,0,0,0|1,0,1]=4 4934 B13R0.333 CC(C)OC(=O)CC(=O)CCCCO 1458a_100000695505_100011215430 [0,2,0,0,0,0|1,0,1]=4 4935 B13R0.333 CCCCCC(=O)CC(=O)CC(C)C 1458a_100000210554_200012276598 [0,2,0,0,0,0|1,0,1]=4 4936 B13R0.333 CCCCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_200012276598 [0,2,0,0,0,0|1,0,1]=4 4937 B13R0.333 CCCCCC(=O)CC(=O)NC(C)C 1458a_100000212188_100000183996 [0,2,0,0,0,0|1,0,1]=4 4938 B13R0.333 CCCCCC(=O)CC(=O)OC(C)C 1458a_100000212188_100011215430 [0,2,0,0,0,0|0,0,1]=3 4939 B13R0.333 CCCCCN(C)CC(=O)OC(C)C 2230a_100000223495_100011215430 [0,2,0,0,0,0|1,0,1]=4 4940 B13R0.333 CCCCCN(C)CC(=O)OC(C)C 269982a_100000223495_100011215430 [0,2,0,0,0,0|1,0,1]=4 4941 B13R0.333 CCCOCC(=O)CC(=O)OC(C)C 1458a_100000745993_100011215430 [0,2,0,0,0,0|1,0,1]=4 4942 B13R0.333 CCCSCC(=O)CC(=O)OC(C)C 1458a_100000217233_100011215430 [0,2,0,0,0,0|1,0,1]=4 4943 B13R0.333 CCOCCC(=O)CC(=O)OC(C)C 1458a_100000749530_100011215430 [0,2,0,0,0,0|1,0,1]=4 4944 B13R0.333 CCSCCC(=O)CC(=O)OC(C)C 1458a_100000230768_100011215430 [0,2,0,0,0,0|1,0,1]=4 4945 B13R0.333 COCCCC(=O)CC(=O)OC(C)C 1458a_100000741012_100011215430 [0,2,0,0,0,0|1,0,1]=4 4946 B13R0.333 CSCCCC(=O)CC(=O)OC(C)C 1458a_100000173376_100011215430 [0,2,0,0,0,0|1,0,1]=4 4947 B13R0.337 CCCCCC=CC(=O)C(C)C(=O)C 1458a_100016263427_100000179758 [0,2,0,0,0,0|1,0,1]=4 4948 B13R0.337 CCCCCC=CC(=O)N(C)C(C)C 11a_200000211004_100016263427 [0,2,0,0,0,0|1,0,0]=3 4949 B13R0.337 CCCCCC=CC(=O)N(C)C(C)C 1626a_200000211004_100016263427 [0,2,0,0,0,0|1,0,0]=3 4950 B13R0.337 CCCCCC=CC(=O)N(C)C(C)C 240690a_200000211004_100016263427 [0,2,0,0,0,0|1,0,0]=3 4951 B13R0.438 CCCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210757 [0,2,0,0,0,0|1,0,1]=4 4952 B13R0.438 CCCCCNC(=O)C(=O)NC(C)C 1626a_100000209983_100011220036 [0,2,0,0,0,0|2,0,0]=4 4953 B13R0.438 CCCCCNC(=O)C(=O)NC(C)C 240690a_100000209983_100011220036 [0,2,0,0,0,0|2,0,0]=4 4954 B13R0.438 CCCCCNC(=O)C(=O)NC(C)C 527a_100000209983_100011220036 [0,2,0,0,0,0|2,0,0]=4 4955 B13R0.438 CCCCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000718602 [0,2,0,0,0,0|1,0,1]=4 4956 B13R0.438 CCCCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210326 [0,2,0,0,0,0|1,0,1]=4 4957 B13R0.277 CCCCCC=CC(=O)C(CC)CC 1458a_100016263427_100000210505 [0,2,0,0,0,0|1,0,0]=3 4958 B13R0.277 CCCCCC=CC(=O)N(CC)CC 11a_100000724800_100016263427 [0,2,0,0,0,0|1,0,0]=3 4959 B13R0.277 CCCCCC=CC(=O)N(CC)CC 1626a_100000724800_100016263427 [0,2,0,0,0,0|1,0,0]=3 4960 B13R0.277 CCCCCC=CC(=O)N(CC)CC 240690a_100000724800_100016263427 [0,2,0,0,0,0|1,0,0]=3 4961 B13R0.369 CCOC(=O)/C=C/CN(C)C(C)CC 2230a_100000741768_100016267167 [0,2,0,0,0,0|1,0,0]=3 4962 B13R0.369 CCOC(=O)/C=C/CN(C)C(C)CC 269982a_100000741768_100016267167 [0,2,0,0,0,0|1,0,0]=3 4963 B13R0.369 CCOC(=O)/C=C/CN(C)C(C)CO 2230a_100000693034_100016267167 [0,2,0,0,0,0|2,0,0]=4 4964 B13R0.369 CCOC(=O)/C=C/CN(C)C(C)CO 269982a_100000693034_100016267167 [0,2,0,0,0,0|2,0,0]=4 4965 B13R0.1293 CCCCCC(=O)CC(=O)C(C)CC 1458a_100011192722_200012276598 [0,2,0,0,0,0|1,0,1]=4 4966 B13R0.1293 CCCCCC(=O)CC(=O)C(O)CC 1458a_100011196387_200012276598 [0,2,0,0,0,0|1,0,1]=4 4967 B13R0.1293 CCCCCC(=O)CC(=O)N(C)CC 1458a_100000212188_100011894763 [0,2,0,0,0,0|1,0,1]=4 4968 B13R0.17 CCOC(=O)C=CC(=O)CC(=O)CC 1458a_100000210415_100000747405 [0,2,0,0,0,0|0,0,2]=4 4969 B13R0.17 CCOC(=O)C=CC(=O)CC(C)CC 1458a_100000210415_100000748023 [0,2,0,0,0,0|0,0,1]=3 4970 B13R0.17 CCOC(=O)C=CC(=O)CC(O)CC 1458a_100000210415_100011218378 [0,2,0,0,0,0|0,0,1]=3 4971 B13R0.17 CCOC(=O)C=CC(=O)C[C@@H](C)CC 1458a_100000210415_100009816398 [0,2,0,0,0,0|0,0,1]=3 4972 B13R0.17 CCOC(=O)C=CC(=O)C[C@@H](C)CO 1458a_100000210415_100000059175 [0,2,0,0,0,0|1,0,1]=4 4973 B13R0.17 CCOC(=O)C=CC(=O)NC(C)CC 1626a_100000209981_100000210415 [0,2,0,0,0,0|1,0,1]=4 4974 B13R0.17 CCOC(=O)C=CC(=O)NC(C)CC 240690a_100000209981_100000210415 [0,2,0,0,0,0|1,0,1]=4 4975 B13R0.17 CCOC(=O)CNC(C)CC(C)CC 2230a_100000763565_100000188475 [0,2,0,0,0,0|1,0,1]=4 4976 B13R0.18 C=C(COC(C)CCC)C(=O)OCC 34a_100000764384_100000755967 [0,2,0,0,0,0|1,0,1]=4 4977 B13R0.18 C=C(COC(C)CCC)C(=O)OCC 7a_100000764384_100000755967 [0,2,0,0,0,0|1,0,1]=4 4978 B13R0.18 C=C(CSC(C)CCC)C(=O)OCC 62a_100000755967_100000766640 [0,2,0,0,0,0|1,0,1]=4 4979 B13R0.18 C=C(CSC(C)CCC)C(=O)OCC 62a_100000766640_100000755967 [0,2,0,0,0,0|1,0,1]=4 4980 B13R0.18 CCCC(C)C(=O)C=CC(=O)OCC 1458a_100000210415_100000766640 [0,2,0,0,0,0|0,0,1]=3 4981 B13R0.18 CCCC(C)C(C)OCC(=O)OCC 34a_100000708338_100000188475 [0,2,0,0,0,0|1,0,1]=4 4982 B13R0.18 CCCC(C)C(C)OCC(=O)OCC 7a_100000708338_100000188475 [0,2,0,0,0,0|1,0,1]=4 4983 B13R0.18 CCCC(C)COC(C)C(=O)OCC 34a_100000688023_100011216346 [0,2,0,0,0,0|1,0,1]=4 4984 B13R0.18 CCCC(C)COC(C)C(=O)OCC 7a_100000688023_100011216346 [0,2,0,0,0,0|1,0,1]=4 4985 B13R0.18 CCCC(C)COC(F)C(=O)OCC 34a_100000688023_100000760018 [0,2,0,0,0,0|1,0,1]=4 4986 B13R0.18 CCCC(C)COC(F)C(=O)OCC 7a_100000688023_100000040065 [0,2,0,0,0,0|1,0,1]=4 4987 B13R0.18 CCCC(C)CO[C@@H](C)C(=O)OCC 7a_100000751109_100011216630 [0,2,0,0,0,0|1,0,1]=4 4988 B13R0.18 CCCC(C)CSC(C)C(=O)OCC 62a_100011216346_100011216630 [0,2,0,0,0,0|1,0,1]=4 4989 B13R0.18 CCCC(C)CSC(C)C(=O)OCC 62a_100011216630_100011216346 [0,2,0,0,0,0|1,0,1]=4 4990 B13R0.18 CCCC(C)CSC(F)C(=O)OCC 62a_100000760018_100011216630 [0,2,0,0,0,0|1,0,1]=4 4991 B13R0.18 CCCC(C)CSC(F)C(=O)OCC 62a_100011216630_100000760018 [0,2,0,0,0,0|1,0,1]=4 4992 B13R0.18 CCCC(C)SCC(=O)C(=O)OCC 62a_100000211299_100000766640 [0,2,0,0,0,0|1,0,1]=4 4993 B13R0.18 CCCC(C)SCC(=O)C(=O)OCC 62a_100000766640_100000211299 [0,2,0,0,0,0|1,0,1]=4 4994 B13R0.18 CCCN(C)C(=O)C=CC(=O)OCC 1626a_100000747261_100000210415 [0,2,0,0,0,0|1,0,1]=4 4995 B13R0.18 CCCN(C)C(=O)C=CC(=O)OCC 240690a_100000747261_100000210415 [0,2,0,0,0,0|1,0,1]=4 4996 B13R0.18 CCC[C@H](N)COC(C)C(=O)OCC 34a_100000732646_100011216346 [0,2,0,0,0,0|1,0,1]=4 4997 B13R0.18 CCC[C@H](N)COC(F)C(=O)OCC 34a_100000732646_100000760018 [0,2,0,0,0,0|1,0,1]=4 4998 B13R0.18 CCOC(=O)C(=O)NCC(O)COC 240690a_100000756049_100014798877 [0,2,0,0,0,0|2,0,0]=4 4999 B13R0.18 CCOC(=O)C=CC(=O)C(C)CCO 1458a_100000210415_100009893172 [0,2,0,0,0,0|1,0,1]=4 5000 B13R0.18 CCOC(=O)C=CC(=O)C(C)COC 1458a_100000210415_100000765312 [0,2,0,0,0,0|1,0,1]=4 5001 B13R0.39 CCCCC(C)C(=O)C=C(C)CCC 1458a_100020676950_200011215066 [0,2,0,0,0,0|2,0,0]=4 5002 B13R0.39 CCCCC(C)C(=O)CC(=O)CCC 1458a_100000725509_100000747444 [0,2,0,0,0,0|1,0,1]=4 5003 B13R0.39 CCCCC(C)C(=O)CC(=O)NCC 1458a_100000725509_100000183381 [0,2,0,0,0,0|1,0,1]=4 5004 B13R0.39 CCCCC(C)C(=O)CC(=O)OCC 1458a_100000243816_200011215066 [0,2,0,0,0,0|0,0,1]=3 5005 B13R0.39 CCCCC(C)C(=O)CC(=O)OCC 1458a_100000725509_100000188475 [0,2,0,0,0,0|0,0,1]=3 5006 B13R0.39 CCCCC(C)N(C)CC(=O)OCC 2230a_100000220588_200011215066 [0,2,0,0,0,0|1,0,1]=4 5007 B13R0.39 CCCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100000210087 [0,2,0,0,0,0|1,0,1]=4 5008 B13R0.39 CCCCC(O)C(=O)CC(=O)CCC 1458a_100000720857_100000747444 [0,2,0,0,0,0|1,0,1]=4 5009 B13R0.39 CCCCC(O)C(=O)CC(=O)NCC 1458a_100000720857_100000183381 [0,2,0,0,0,0|1,0,1]=4 5010 B13R0.39 CCCCC(O)C(=O)CC(=O)OCC 1458a_100000720857_100000188475 [0,2,0,0,0,0|0,0,1]=3 5011 B13R0.39 CCCCN(C)C(=O)CC(=O)OCC 240690a_100000207549_100000243816 [0,2,0,0,0,0|1,0,1]=4 5012 B13R0.39 CCCSC(C)C(=O)CC(=O)OCC 62a_100000210303_100010090504 [0,2,0,0,0,0|1,0,1]=4 5013 B13R0.39 CCCSC(C)C(=O)CC(=O)OCC 62a_100010090504_100000210303 [0,2,0,0,0,0|1,0,1]=4 5014 B13R0.39 CCOC(=O)CC(=O)C(O)CCSC 1458a_100000685904_100000188475 [0,2,0,0,0,0|1,0,1]=4 5015 B13R0.95 C=C(C)CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000730704 [0,2,0,0,0,0|0,0,2]=4 5016 B13R0.95 CCOC(=O)C=CC(=O)CCC(C)C 1458a_100000210415_100000210312 [0,2,0,0,0,0|0,0,1]=3 5017 B13R0.95 CCOC(=O)C=CC(=O)CCC(C)O 1458a_100000210415_100012276601 [0,2,0,0,0,0|0,0,1]=3 5018 B13R0.95 CCOC(=O)C=CC(=O)NCC(C)C 1626a_100000210953_100000210415 [0,2,0,0,0,0|1,0,1]=4 5019 B13R0.95 CCOC(=O)C=CC(=O)NCC(C)C 240690a_100000210953_100000210415 [0,2,0,0,0,0|1,0,1]=4 5020 B13R0.95 CCOC(=O)C=CC(=O)NCC(C)O 240690a_100000210904_100000210415 [0,2,0,0,0,0|1,0,1]=4 5021 B13R0.95 CCOC(=O)CNC(C)CCC(C)C 2230a_100138410893_100000188475 [0,2,0,0,0,0|1,0,1]=4 5022 B13R0.95 CCOC(=O)COC(C)CCC(C)C 34a_100011215350_100000188475 [0,2,0,0,0,0|1,0,1]=4 5023 B13R0.95 CCOC(=O)COC(C)CCC(C)C 7a_100011215350_100000188475 [0,2,0,0,0,0|1,0,1]=4 5024 B13R0.95 CCOC(=O)CSC(C)CCC(C)C 62a_100000188475_100011261404 [0,2,0,0,0,0|1,0,1]=4 5025 B13R0.95 CCOC(=O)CSC(C)CCC(C)C 62a_100011261404_100000188475 [0,2,0,0,0,0|1,0,1]=4 5026 B13R0.120 C=C(CN(C)CCCC)C(=O)OCC 269982a_100000207549_100000755967 [0,2,0,0,0,0|1,0,1]=4 5027 B13R0.120 CCCCC(C)NC(=O)C(=O)NCC 1626a_100000126638_200011297158 [0,2,0,0,0,0|2,0,0]=4 5028 B13R0.120 CCCCC(C)NC(=O)C(=O)NCC 240690a_100000126638_200011297158 [0,2,0,0,0,0|2,0,0]=4 5029 B13R0.120 CCCCC(C)NC(=O)C(=O)NCC 527a_100000126638_200011297158 [0,2,0,0,0,0|2,0,0]=4 5030 B13R0.120 CCCCC(C)NC(=O)C(=O)OCC 11a_100000126638_100014798877 [0,2,0,0,0,0|1,0,0]=3 5031 B13R0.120 CCCCC(C)NC(=O)C(=O)OCC 1626a_100000126638_100014798877 [0,2,0,0,0,0|1,0,0]=3 5032 B13R0.120 CCCCC(C)NC(=O)C(=O)OCC 240690a_100000126638_100014798877 [0,2,0,0,0,0|1,0,0]=3 5033 B13R0.120 CCCCC(C)NC(C)C(=O)OCC 2230a_100000126638_100011215307 [0,2,0,0,0,0|1,0,1]=4 5034 B13R0.120 CCCCC(C)NC(F)C(=O)OCC 2230a_100000126638_100000760018 [0,2,0,0,0,0|1,0,1]=4 5035 B13R0.120 CCCCC(C)OC(C)C(=O)OCC 34a_100000687866_100011216346 [0,2,0,0,0,0|1,0,1]=4 5036 B13R0.120 CCCCC(C)OC(C)C(=O)OCC 7a_100000687866_100011216346 [0,2,0,0,0,0|1,0,1]=4 5037 B13R0.120 CCCCC(C)OC(F)C(=O)OCC 34a_100000687866_100000760018 [0,2,0,0,0,0|1,0,1]=4 5038 B13R0.120 CCCCC(C)OC(F)C(=O)OCC 7a_100000687866_100000040065 [0,2,0,0,0,0|1,0,1]=4 5039 B13R0.120 CCCCC(C)O[C@@H](C)C(=O)OCC 7a_100000751109_200011215066 [0,2,0,0,0,0|1,0,1]=4 5040 B13R0.120 CCCCC(C)SC(C)C(=O)OCC 62a_100011216346_200011215066 [0,2,0,0,0,0|1,0,1]=4 5041 B13R0.120 CCCCC(C)SC(C)C(=O)OCC 62a_200011215066_100011216346 [0,2,0,0,0,0|1,0,1]=4 5042 B13R0.120 CCCCC(C)SC(F)C(=O)OCC 62a_100000760018_200011215066 [0,2,0,0,0,0|1,0,1]=4 5043 B13R0.120 CCCCC(C)SC(F)C(=O)OCC 62a_200011215066_100000760018 [0,2,0,0,0,0|1,0,1]=4 5044 B13R0.120 CCCCN(C)CC(=O)C(=O)OCC 269982a_100000207549_100000211299 [0,2,0,0,0,0|1,0,1]=4 5045 B13R0.176 CCCCC(C)NCC(=O)OCCC 2230a_100000126638_200011215008 [0,2,0,0,0,0|1,0,1]=4 5046 B13R0.176 CCCCC(C)OCC(=O)OCCC 34a_100000687866_200011215008 [0,2,0,0,0,0|1,0,1]=4 5047 B13R0.176 CCCCC(C)OCC(=O)OCCC 7a_100000687866_200011215008 [0,2,0,0,0,0|1,0,1]=4 5048 B13R0.176 CCCCC(C)SCC(=O)OCCC 62a_200011215008_200011215066 [0,2,0,0,0,0|1,0,1]=4 5049 B13R0.176 CCCCC(C)SCC(=O)OCCC 62a_200011215066_200011215008 [0,2,0,0,0,0|1,0,1]=4 5050 B13R0.305 C#CC(CCCC)OCC(=O)OCC 34a_200011217967_100000188475 [0,2,0,0,0,0|1,0,1]=4 5051 B13R0.305 C#CC(CCCC)OCC(=O)OCC 7a_200011217967_100000188475 [0,2,0,0,0,0|1,0,1]=4 5052 B13R0.305 C=CC(CCCC)OCC(=O)OCC 34a_200011215037_100000188475 [0,2,0,0,0,0|1,0,1]=4 5053 B13R0.305 C=CC(CCCC)OCC(=O)OCC 7a_200011215037_100000188475 [0,2,0,0,0,0|1,0,1]=4 5054 B13R0.305 CCCCC(CC)OCC(=O)OCC 34a_100011215227_100000188475 [0,2,0,0,0,0|1,0,1]=4 5055 B13R0.305 CCCCC(CC)OCC(=O)OCC 7a_100011215227_100000188475 [0,2,0,0,0,0|1,0,1]=4 5056 B13R0.305 CCCCC(CC)SCC(=O)OCC 62a_100000188475_200011216223 [0,2,0,0,0,0|1,0,1]=4 5057 B13R0.305 CCCCC(CC)SCC(=O)OCC 62a_200011216223_100000188475 [0,2,0,0,0,0|1,0,1]=4 5058 B13R0.305 CCCC[C@@H](CO)NCC(=O)OCC 2230a_100011934283_100000188475 [0,2,0,0,0,0|1,0,1]=4 5059 B13R0.305 CCCC[C@@H](CO)NCC(=O)OCC 34a_100011934283_100000188475 [0,2,0,0,0,0|1,0,1]=4 5060 B13R0.461 CCCCC(C)(C)OCC(=O)OCC 7a_100011219641_100000188475 [0,2,0,0,0,0|1,0,1]=4 5061 B13R0.59 CCCCCCC(NC)C(=O)OCC 2230a_106832991635_200009813390 [0,2,0,0,0,0|0,0,2]=4 5062 B13R0.59 CCCCCCC(NC)C(=O)OCC 34a_100102657272_200009813390 [0,2,0,0,0,0|0,0,2]=4 5063 B13R0.59 CCCCCCC(NC)C(=O)OCC 7a_106832991635_200009813390 [0,2,0,0,0,0|0,0,2]=4 5064 B13R0.59 CCCCCCC(OC)C(=O)OCC 34a_100138415774_200009813390 [0,2,0,0,0,0|0,0,2]=4 5065 B13R0.59 CCCCCCC(SC)C(=O)OCC 62a_200000210301_200009813390 [0,2,0,0,0,0|0,0,2]=4 5066 B13R0.59 CCCCCCC(SC)C(=O)OCC 62a_200009813390_200000210301 [0,2,0,0,0,0|0,0,2]=4 5067 B13R0.59 CCCCCCC(S[13CH3])C(=O)OCC 62a_200009813390_200025704644 [0,2,0,0,0,0|0,0,2]=4 5068 B13R0.59 CCCCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813390 [0,2,0,0,0,0|0,0,2]=4 5069 B13R0.59 CCCCCNC(CC)C(=O)OCC 2230a_100000209983_100000212269 [0,2,0,0,0,0|1,0,1]=4 5070 B13R0.59 CCCCCOC(CC)C(=O)OCC 34a_100000210253_100000212269 [0,2,0,0,0,0|1,0,1]=4 5071 B13R0.59 CCCCCOC(CC)C(=O)OCC 34a_100011216719_100000718602 [0,2,0,0,0,0|1,0,1]=4 5072 B13R0.59 CCCCCOC(CC)C(=O)OCC 7a_100000210253_100000212269 [0,2,0,0,0,0|1,0,1]=4 5073 B13R0.59 CCCCCOC(CC)C(=O)OCC 7a_100011216719_100000210326 [0,2,0,0,0,0|1,0,1]=4 5074 B13R0.59 CCCCCOC(SC)C(=O)OCC 34a_100000210253_100009893047 [0,2,0,0,0,0|1,0,1]=4 5075 B13R0.59 CCCCCSC(C=O)C(=O)OCC 62a_100000053139_100000210326 [0,2,0,0,0,0|1,0,1]=4 5076 B13R0.59 CCCCCSC(C=O)C(=O)OCC 62a_100000210326_100000053139 [0,2,0,0,0,0|1,0,1]=4 5077 B13R0.59 CCCCCSC(CC)C(=O)OCC 62a_100000210326_100000212269 [0,2,0,0,0,0|1,0,1]=4 5078 B13R0.59 CCCCCSC(CC)C(=O)OCC 62a_100000212269_100000210326 [0,2,0,0,0,0|1,0,1]=4 5079 B13R0.59 CCCCCSC(SC)C(=O)OCC 62a_100000210326_100009893047 [0,2,0,0,0,0|1,0,1]=4 5080 B13R0.59 CCCCCSC(SC)C(=O)OCC 62a_100009893047_100000210326 [0,2,0,0,0,0|1,0,1]=4 5081 B13R0.59 CCCCNN=C(CC)C(=O)OCC 4a_100025702795_100000211510 [0,2,0,0,0,0|2,0,0]=4 5082 B13R0.261 C=C(COCCC(C)Br)C(=O)OCC 34a_100009893172_100000755967 [0,2,0,0,0,0|1,0,1]=4 5083 B13R0.261 C=C(COCCC(C)C)C(=O)OCC 34a_100000210254_100000755967 [0,2,0,0,0,0|1,0,1]=4 5084 B13R0.261 C=C(COCCC(C)C)C(=O)OCC 7a_100000210254_100000755967 [0,2,0,0,0,0|1,0,1]=4 5085 B13R0.261 C=C(COCC[C@@H](C)N)C(=O)OCC 34a_100000706166_100000755967 [0,2,0,0,0,0|1,0,1]=4 5086 B13R0.261 C=C(CSCCC(C)C)C(=O)OCC 62a_100000210312_100000755967 [0,2,0,0,0,0|1,0,1]=4 5087 B13R0.261 C=C(CSCCC(C)C)C(=O)OCC 62a_100000755967_100000210312 [0,2,0,0,0,0|1,0,1]=4 5088 B13R0.261 C=C(CSCCC(C)O)C(=O)OCC 62a_100000755967_100012276601 [0,2,0,0,0,0|1,0,1]=4 5089 B13R0.261 C=C(CSCCC(C)O)C(=O)OCC 62a_100012276601_100000755967 [0,2,0,0,0,0|1,0,1]=4 5090 B13R0.261 CCNC(=O)C(=O)CCCCC(C)C 1458a_200011297158_100011216152 [0,2,0,0,0,0|1,0,1]=4 5091 B13R0.261 CCNC(=O)C(=O)NCCCC(C)C 1626a_200000737386_200011297158 [0,2,0,0,0,0|2,0,0]=4 5092 B13R0.261 CCNC(=O)C(=O)NCCCC(C)C 240690a_200000737386_200011297158 [0,2,0,0,0,0|2,0,0]=4 5093 B13R0.261 CCNC(=O)C(=O)NCCCC(C)C 527a_200000737386_200011297158 [0,2,0,0,0,0|2,0,0]=4 5094 B13R0.261 CCOC(=O)C(=O)CSCCC(C)C 62a_100000210312_100000211299 [0,2,0,0,0,0|1,0,1]=4 5095 B13R0.261 CCOC(=O)C(=O)CSCCC(C)C 62a_100000211299_100000210312 [0,2,0,0,0,0|1,0,1]=4 5096 B13R0.261 CCOC(=O)C(=O)CSCCC(C)O 62a_100000211299_100012276601 [0,2,0,0,0,0|1,0,1]=4 5097 B13R0.261 CCOC(=O)C(=O)CSCCC(C)O 62a_100012276601_100000211299 [0,2,0,0,0,0|1,0,1]=4 5098 B13R0.261 CCOC(=O)C(=O)NCCCC(C)C 11a_200000737386_100014798877 [0,2,0,0,0,0|1,0,0]=3 5099 B13R0.261 CCOC(=O)C(=O)NCCCC(C)C 1626a_200000737386_100014798877 [0,2,0,0,0,0|1,0,0]=3 5100 B13R0.261 CCOC(=O)C(=O)NCCCC(C)C 240690a_200000737386_100014798877 [0,2,0,0,0,0|1,0,0]=3 5101 B13R0.261 CCOC(=O)C(=O)NCCCN(C)C 240690a_102531767803_100014798877 [0,2,0,0,0,0|2,0,0]=4 5102 B13R0.261 CCOC(=O)C(=O)NCCCS(=O)C 11a_200000753449_100014798877 [0,2,0,0,0,0|2,0,0]=4 5103 B13R0.261 CCOC(=O)C(=O)NCCCS(=O)C 240690a_200000753449_100014798877 [0,2,0,0,0,0|2,0,0]=4 5104 B13R0.261 CCOC(=O)C(=O)NCCOC(C)C 11a_100000701111_100014798877 [0,2,0,0,0,0|2,0,0]=4 5105 B13R0.261 CCOC(=O)C(=O)NCCOC(C)C 1626a_100000701111_100014798877 [0,2,0,0,0,0|2,0,0]=4 5106 B13R0.261 CCOC(=O)C(=O)NCCOC(C)C 240690a_100000701111_100014798877 [0,2,0,0,0,0|2,0,0]=4 5107 B13R0.261 CCOC(=O)C(=O)NCCSC(C)C 11a_100000731138_100014798877 [0,2,0,0,0,0|2,0,0]=4 5108 B13R0.261 CCOC(=O)C(=O)NCCSC(C)C 1626a_100000731138_100014798877 [0,2,0,0,0,0|2,0,0]=4 5109 B13R0.261 CCOC(=O)C(=O)NCCSC(C)C 240690a_100000731138_100014798877 [0,2,0,0,0,0|2,0,0]=4 5110 B13R0.261 CCOC(=O)C(C)NCCCC(C)C 2230a_200000737386_100011215307 [0,2,0,0,0,0|1,0,1]=4 5111 B13R0.261 CCOC(=O)C(C)NCCCC(C)C 34a_200000737386_100011216346 [0,2,0,0,0,0|1,0,1]=4 5112 B13R0.261 CCOC(=O)C(C)OCCCC(C)C 34a_100000210774_100011216346 [0,2,0,0,0,0|1,0,1]=4 5113 B13R0.261 CCOC(=O)C(C)OCCCC(C)C 7a_100000210774_100011216346 [0,2,0,0,0,0|1,0,1]=4 5114 B13R0.261 CCOC(=O)C(C)SCCCC(C)C 62a_100011214892_100011216346 [0,2,0,0,0,0|1,0,1]=4 5115 B13R0.261 CCOC(=O)C(C)SCCCC(C)C 62a_100011216346_100011214892 [0,2,0,0,0,0|1,0,1]=4 5116 B13R0.261 CCOC(=O)C(C)SCCCC(C)O 62a_100011216346_200000718107 [0,2,0,0,0,0|1,0,1]=4 5117 B13R0.261 CCOC(=O)C(C)SCCCC(C)O 62a_200000718107_100011216346 [0,2,0,0,0,0|1,0,1]=4 5118 B13R0.261 CCOC(=O)C(F)NCCCC(C)C 2230a_200000737386_100000760018 [0,2,0,0,0,0|1,0,1]=4 5119 B13R0.261 CCOC(=O)C(F)NCCCC(C)C 34a_200000737386_100000760018 [0,2,0,0,0,0|1,0,1]=4 5120 B13R0.261 CCOC(=O)C(F)OCCCC(C)C 34a_100000210774_100000760018 [0,2,0,0,0,0|1,0,1]=4 5121 B13R0.261 CCOC(=O)C(F)OCCCC(C)C 7a_100000210774_100000040065 [0,2,0,0,0,0|1,0,1]=4 5122 B13R0.261 CCOC(=O)C(F)SCCCC(C)C 62a_100000760018_100011214892 [0,2,0,0,0,0|1,0,1]=4 5123 B13R0.261 CCOC(=O)C(F)SCCCC(C)C 62a_100011214892_100000760018 [0,2,0,0,0,0|1,0,1]=4 5124 B13R0.261 CCOC(=O)C(F)SCCCC(C)O 62a_100000760018_200000718107 [0,2,0,0,0,0|1,0,1]=4 5125 B13R0.261 CCOC(=O)C(F)SCCCC(C)O 62a_200000718107_100000760018 [0,2,0,0,0,0|1,0,1]=4 5126 B13R0.261 CCOC(=O)[C@H](C)OCCCC(C)C 7a_100000751109_100011214892 [0,2,0,0,0,0|1,0,1]=4 5127 B13R0.261 CCOC(=O)[C@H](C)OCCCC(C)O 7a_100000751109_200000718107 [0,2,0,0,0,0|1,0,1]=4 5128 B13R0.267 C=C(COC[C@@H](C)CC)C(=O)OCC 7a_100009816381_100000755967 [0,2,0,0,0,0|1,0,1]=4 5129 B13R0.267 C=C(CSCC(C)CC)C(=O)OCC 62a_100000748023_100000755967 [0,2,0,0,0,0|1,0,1]=4 5130 B13R0.267 C=C(CSCC(C)CC)C(=O)OCC 62a_100000755967_100000748023 [0,2,0,0,0,0|1,0,1]=4 5131 B13R0.267 C=C(CSCC(O)CC)C(=O)OCC 62a_100000755967_100011218378 [0,2,0,0,0,0|1,0,1]=4 5132 B13R0.267 C=C(CSCC(O)CC)C(=O)OCC 62a_100011218378_100000755967 [0,2,0,0,0,0|1,0,1]=4 5133 B13R0.267 C=C(CSC[C@@H](C)CC)C(=O)OCC 62a_100000755967_100009816398 [0,2,0,0,0,0|1,0,1]=4 5134 B13R0.267 C=C(CSC[C@@H](C)CC)C(=O)OCC 62a_100009816398_100000755967 [0,2,0,0,0,0|1,0,1]=4 5135 B13R0.267 CCNC(=O)C(=O)NCCC(C)CC 1626a_100020591266_200011297158 [0,2,0,0,0,0|2,0,0]=4 5136 B13R0.267 CCNC(=O)C(=O)NCCC(C)CC 240690a_100020591266_200011297158 [0,2,0,0,0,0|2,0,0]=4 5137 B13R0.267 CCNC(=O)C(=O)NCCC(C)CC 527a_100020591266_200011297158 [0,2,0,0,0,0|2,0,0]=4 5138 B13R0.267 CCOC(=O)C(=NNCC(O)CC)C 4a_100015206393_100000209952 [0,2,0,0,0,0|2,0,0]=4 5139 B13R0.267 CCOC(=O)C(=O)CSCC(C)CC 62a_100000211299_100000748023 [0,2,0,0,0,0|1,0,1]=4 5140 B13R0.267 CCOC(=O)C(=O)CSCC(C)CC 62a_100000748023_100000211299 [0,2,0,0,0,0|1,0,1]=4 5141 B13R0.267 CCOC(=O)C(=O)CSCC(O)CC 62a_100000211299_100011218378 [0,2,0,0,0,0|1,0,1]=4 5142 B13R0.267 CCOC(=O)C(=O)CSCC(O)CC 62a_100011218378_100000211299 [0,2,0,0,0,0|1,0,1]=4 5143 B13R0.267 CCOC(=O)C(=O)CSC[C@@H](C)CC 62a_100000211299_100009816398 [0,2,0,0,0,0|1,0,1]=4 5144 B13R0.267 CCOC(=O)C(=O)CSC[C@@H](C)CC 62a_100009816398_100000211299 [0,2,0,0,0,0|1,0,1]=4 5145 B13R0.267 CCOC(=O)C(=O)NCCC(C)CC 11a_100020591266_100014798877 [0,2,0,0,0,0|1,0,0]=3 5146 B13R0.267 CCOC(=O)C(=O)NCCC(C)CC 1626a_100020591266_100014798877 [0,2,0,0,0,0|1,0,0]=3 5147 B13R0.267 CCOC(=O)C(=O)NCCC(C)CC 240690a_100020591266_100014798877 [0,2,0,0,0,0|1,0,0]=3 5148 B13R0.267 CCOC(=O)C(=O)NCCC(C)CO 240690a_106354213184_100014798877 [0,2,0,0,0,0|2,0,0]=4 5149 B13R0.267 CCOC(=O)C(C)NCCC(C)CC 2230a_100020591266_100011215307 [0,2,0,0,0,0|1,0,1]=4 5150 B13R0.267 CCOC(=O)C(C)OCCC(C)CC 7a_100011215188_100011216346 [0,2,0,0,0,0|1,0,1]=4 5151 B13R0.267 CCOC(=O)C(F)NCCC(C)CC 2230a_100020591266_100000760018 [0,2,0,0,0,0|1,0,1]=4 5152 B13R0.267 CCOC(=O)C(F)OCCC(C)CC 7a_100011215188_100000040065 [0,2,0,0,0,0|1,0,1]=4 5153 B13R0.806 CCCCCNC(C)(C)C(=O)OCC 2230a_100000209983_100011216345 [0,2,0,0,0,0|1,0,1]=4 5154 B13R0.806 CCCCCOC(C)(C)C(=O)OCC 34a_100000686869_100000718602 [0,2,0,0,0,0|1,0,1]=4 5155 B13R0.806 CCCCCOC(C)(C)C(=O)OCC 7a_100000210253_100011216345 [0,2,0,0,0,0|1,0,1]=4 5156 B13R0.806 CCCCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210326 [0,2,0,0,0,0|1,0,1]=4 5157 B13R0.806 CCCCCOC(F)(F)C(=O)OCC 34a_100000210253_100000210910 [0,2,0,0,0,0|1,0,1]=4 5158 B13R0.806 CCCCCOC(F)(F)C(=O)OCC 7a_100000210253_100000210910 [0,2,0,0,0,0|1,0,1]=4 5159 B13R0.806 CCCCCSC(C)(C)C(=O)OCC 62a_100000210326_100011216345 [0,2,0,0,0,0|1,0,1]=4 5160 B13R0.806 CCCCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210326 [0,2,0,0,0,0|1,0,1]=4 5161 B13R0.806 CCCCCSC(F)(F)C(=O)OCC 62a_100000210326_100000210910 [0,2,0,0,0,0|1,0,1]=4 5162 B13R0.806 CCCCCSC(F)(F)C(=O)OCC 62a_100000210910_100000210326 [0,2,0,0,0,0|1,0,1]=4 5163 B13R0.1171 CCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210757 [0,2,0,0,0,0|1,0,1]=4 5164 B13R0.1171 CCCCCCC(C)C(=O)COCC 1458a_100000211967_100011215978 [0,2,0,0,0,0|0,0,2]=4 5165 B13R0.1171 CCCCCCN(C)C(=O)COCC 11a_106256046315_100000211967 [0,2,0,0,0,0|1,0,1]=4 5166 B13R0.1171 CCCCCCN(C)C(=O)COCC 1626a_106256046315_100000211967 [0,2,0,0,0,0|1,0,1]=4 5167 B13R0.1171 CCCCCCN(C)C(=O)COCC 240690a_106256046315_100000211967 [0,2,0,0,0,0|1,0,1]=4 5168 B13R0.1171 CCCCCCN(C)C(=O)COCC 527a_106256046315_100000211967 [0,2,0,0,0,0|1,0,1]=4 5169 B13R0.1171 CCCCCNC(=O)C(=O)NCCC 1626a_100000209983_200011297150 [0,2,0,0,0,0|2,0,0]=4 5170 B13R0.1171 CCCCCNC(=O)C(=O)NCCC 240690a_100000209983_200011297150 [0,2,0,0,0,0|2,0,0]=4 5171 B13R0.1171 CCCCCNC(=O)C(=O)NCCC 527a_100000209983_200011297150 [0,2,0,0,0,0|2,0,0]=4 5172 B13R0.1171 CCCCCNC(C)C(=O)OCCC 2230a_100000209983_100000760410 [0,2,0,0,0,0|1,0,1]=4 5173 B13R0.1171 CCCCCOC(C)C(=O)OCCC 34a_100000037348_100000718602 [0,2,0,0,0,0|1,0,1]=4 5174 B13R0.1171 CCCCCOC(C)C(=O)OCCC 34a_100000210253_100000760410 [0,2,0,0,0,0|1,0,1]=4 5175 B13R0.1171 CCCCCOC(C)C(=O)OCCC 7a_100000037348_100000210326 [0,2,0,0,0,0|1,0,1]=4 5176 B13R0.1171 CCCCCOC(C)C(=O)OCCC 7a_100000210253_100000760410 [0,2,0,0,0,0|1,0,1]=4 5177 B13R0.1171 CCCCCSC(C)C(=O)OCCC 62a_100000210326_100000760410 [0,2,0,0,0,0|1,0,1]=4 5178 B13R0.1171 CCCCCSC(C)C(=O)OCCC 62a_100000760410_100000210326 [0,2,0,0,0,0|1,0,1]=4 5179 B13R0.1171 CCCCNN=C(C)C(=O)OCCC 4a_100025702795_100010632825 [0,2,0,0,0,0|2,0,0]=4 5180 B13R0.1283 CCCCCC(=O)C(C)C(=O)NCC 1458a_100000212188_100000230173 [0,2,0,0,0,0|1,0,1]=4 5181 B13R0.1283 CCCCCC(=O)C(C)C(=O)OCC 1458a_100000212188_100011216346 [0,2,0,0,0,0|0,0,1]=3 5182 B13R0.1283 CCCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210326 [0,2,0,0,0,0|0,0,1]=3 5183 B13R0.1283 CCCCCC(=O)C(F)C(=O)OCC 1458a_100000212188_100000760018 [0,2,0,0,0,0|0,0,1]=3 5184 B13R0.1283 CCCCCC(C)C(=O)C(=O)NCC 1458a_200011297158_200011218191 [0,2,0,0,0,0|1,0,1]=4 5185 B13R0.1283 CCCCCN(C)C(=O)C(=O)NCC 1626a_100000223495_200011297158 [0,2,0,0,0,0|2,0,0]=4 5186 B13R0.1283 CCCCCN(C)C(=O)C(=O)NCC 240690a_100000223495_200011297158 [0,2,0,0,0,0|2,0,0]=4 5187 B13R0.1283 CCCCCN(C)C(=O)C(=O)NCC 527a_100000223495_200011297158 [0,2,0,0,0,0|2,0,0]=4 5188 B13R0.1283 CCCCCN(C)C(=O)C(=O)OCC 11a_100000223495_100014798877 [0,2,0,0,0,0|1,0,0]=3 5189 B13R0.1283 CCCCCN(C)C(=O)C(=O)OCC 1626a_100000223495_100014798877 [0,2,0,0,0,0|1,0,0]=3 5190 B13R0.1283 CCCCCN(C)C(=O)C(=O)OCC 240690a_100000223495_100014798877 [0,2,0,0,0,0|1,0,0]=3 5191 B13R0.1283 CCCCCN(C)C(C)C(=O)OCC 2230a_100000223495_100011215307 [0,2,0,0,0,0|1,0,1]=4 5192 B13R0.1283 CCCCCN(C)C(C)C(=O)OCC 269982a_100000223495_100011216346 [0,2,0,0,0,0|1,0,1]=4 5193 B13R0.1283 CCCCCN(C)C(F)C(=O)OCC 2230a_100000223495_100000760018 [0,2,0,0,0,0|1,0,1]=4 5194 B13R0.1283 CCCCCN(C)C(F)C(=O)OCC 269982a_100000223495_100000760018 [0,2,0,0,0,0|1,0,1]=4 5195 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 11a_100000102301_100132301724 [0,2,0,0,0,0|1,0,1]=4 5196 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 1626a_100000102301_100132301724 [0,2,0,0,0,0|1,0,1]=4 5197 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 240690a_100000102301_100132301724 [0,2,0,0,0,0|1,0,1]=4 5198 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 527a_100000102301_100132301724 [0,2,0,0,0,0|1,0,1]=4 5199 B13R0.1283 CCCCNC(C)C(=O)C(=O)OCC 2230a_100000102301_100010256902 [0,2,0,0,0,0|1,0,1]=4 5200 B13R0.1283 CCCCSC(C)C(=O)C(=O)OCC 62a_100000210211_100010256902 [0,2,0,0,0,0|1,0,1]=4 5201 B13R0.1283 CCCCSC(C)C(=O)C(=O)OCC 62a_100010256902_100000210210 [0,2,0,0,0,0|1,0,1]=4 5202 B13R0.1283 CCCOCC(=O)C(C)C(=O)OCC 1458a_100000745993_100011216346 [0,2,0,0,0,0|1,0,1]=4 5203 B13R0.1283 CCCOCC(=O)C(F)C(=O)OCC 1458a_100000745993_100000760018 [0,2,0,0,0,0|1,0,1]=4 5204 B13R0.1283 CCCSCC(=O)C(C)C(=O)OCC 1458a_100000217233_100011216346 [0,2,0,0,0,0|1,0,1]=4 5205 B13R0.1283 CCCSCC(=O)C(F)C(=O)OCC 1458a_100000217233_100000760018 [0,2,0,0,0,0|1,0,1]=4 5206 B13R0.1283 CCOC(=O)C(=O)N(C)CCCCO 240690a_100000717598_100014798877 [0,2,0,0,0,0|2,0,0]=4 5207 B13R0.1283 CCOC(=O)C(=O)N(C)CCCOC 11a_100000224831_100014798877 [0,2,0,0,0,0|2,0,0]=4 5208 B13R0.1283 CCOC(=O)C(=O)N(C)CCCOC 1626a_100000224831_100014798877 [0,2,0,0,0,0|2,0,0]=4 5209 B13R0.1283 CCOC(=O)C(=O)N(C)CCCOC 240690a_100000224831_100014798877 [0,2,0,0,0,0|2,0,0]=4 5210 B13R0.1283 CCOC(=O)C(C)C(=O)CCCCF 1458a_100132301724_100000729493 [0,2,0,0,0,0|1,0,1]=4 5211 B13R0.1283 CCOC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100011216346 [0,2,0,0,0,0|1,0,1]=4 5212 B13R0.1283 CCOC(=O)C(C)C(=O)CCCCO 1458a_100132301724_100000210776 [0,2,0,0,0,0|1,0,1]=4 5213 B13R0.1283 CCOC(=O)C(C)C(=O)CCCOC 1458a_100000741012_100011216346 [0,2,0,0,0,0|1,0,1]=4 5214 B13R0.1283 CCOC(=O)C(C)C(=O)CCCOC 1458a_100132301724_100000740836 [0,2,0,0,0,0|1,0,1]=4 5215 B13R0.1283 CCOC(=O)C(C)C(=O)CCCSC 1458a_100000173376_100011216346 [0,2,0,0,0,0|1,0,1]=4 5216 B13R0.1283 CCOC(=O)C(C)C(=O)CCSCC 1458a_100000230768_100011216346 [0,2,0,0,0,0|1,0,1]=4 5217 B13R0.1283 CCOC(=O)C(C)C(=O)CCSCC 1458a_100132301724_100000757381 [0,2,0,0,0,0|1,0,1]=4 5218 B13R0.1283 CCOC(=O)C(F)C(=O)CCCCO 1458a_100000695505_100000760018 [0,2,0,0,0,0|1,0,1]=4 5219 B13R0.1283 CCOC(=O)C(F)C(=O)CCCOC 1458a_100000741012_100000760018 [0,2,0,0,0,0|1,0,1]=4 5220 B13R0.1283 CCOC(=O)C(F)C(=O)CCCSC 1458a_100000173376_100000760018 [0,2,0,0,0,0|1,0,1]=4 5221 B13R0.1283 CCOC(=O)C(F)C(=O)CCSCC 1458a_100000230768_100000760018 [0,2,0,0,0,0|1,0,1]=4 5222 B13R0.1283 CCOCCC(=O)C(C)C(=O)OCC 1458a_100000749530_100011216346 [0,2,0,0,0,0|1,0,1]=4 5223 B13R0.1283 CCOCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100011215890 [0,2,0,0,0,0|1,0,1]=4 5224 B13R0.1283 CCOCCC(=O)C(F)C(=O)OCC 1458a_100000749530_100000760018 [0,2,0,0,0,0|1,0,1]=4 5225 B13R0.23 CCCN(CC)C/C=C/C(=O)OCC 2230a_100000226822_100016267167 [0,2,0,0,0,0|1,0,0]=3 5226 B13R0.23 CCCN(CC)C/C=C/C(=O)OCC 269982a_100000226822_100016267167 [0,2,0,0,0,0|1,0,0]=3 5227 B13R0.23 CCOC(=O)/C=C/CN(CC)CCO 2230a_100000210973_100016267167 [0,2,0,0,0,0|2,0,0]=4 5228 B13R0.23 CCOC(=O)/C=C/CN(CC)CCO 269982a_100000210973_100016267167 [0,2,0,0,0,0|2,0,0]=4 5229 B13R0.113 CCCOC(=O)CNCCC(C)CC 2230a_100020591266_200011215008 [0,2,0,0,0,0|1,0,1]=4 5230 B13R0.113 CCCOC(=O)COCCC(C)CC 7a_100011215188_200011215008 [0,2,0,0,0,0|1,0,1]=4 5231 B13R0.119 CCCOC(=O)CNCCCC(C)C 2230a_200000737386_200011215008 [0,2,0,0,0,0|1,0,1]=4 5232 B13R0.119 CCCOC(=O)CNCCCC(C)C 34a_200000737386_200011215008 [0,2,0,0,0,0|1,0,1]=4 5233 B13R0.119 CCCOC(=O)COCCCC(C)C 34a_100000210774_200011215008 [0,2,0,0,0,0|1,0,1]=4 5234 B13R0.119 CCCOC(=O)COCCCC(C)C 7a_100000210774_200011215008 [0,2,0,0,0,0|1,0,1]=4 5235 B13R0.119 CCCOC(=O)CSCCCC(C)C 62a_100011214892_200011215008 [0,2,0,0,0,0|1,0,1]=4 5236 B13R0.119 CCCOC(=O)CSCCCC(C)C 62a_200011215008_100011214892 [0,2,0,0,0,0|1,0,1]=4 5237 B13R0.119 CCCOC(=O)CSCCCC(C)O 62a_200000718107_200011215008 [0,2,0,0,0,0|1,0,1]=4 5238 B13R0.119 CCCOC(=O)CSCCCC(C)O 62a_200011215008_200000718107 [0,2,0,0,0,0|1,0,1]=4 5239 B13R0.119 CCOCC(=O)CCCCCC(C)C 1458a_100000211967_100000210682 [0,2,0,0,0,0|0,0,2]=4 5240 B13R0.154 C=C(C)CCC(=O)C=CCCCCC 1458a_100016263427_100000730704 [0,2,0,0,0,0|1,0,0]=3 5241 B13R0.154 C=C(C)CNC(=O)C=CCCCCC 11a_100000765925_100016263427 [0,2,0,0,0,0|1,0,0]=3 5242 B13R0.154 C=C(C)CNC(=O)C=CCCCCC 1626a_100000765925_100016263427 [0,2,0,0,0,0|1,0,0]=3 5243 B13R0.154 C=C(C)CNC(=O)C=CCCCCC 240690a_100000765925_100016263427 [0,2,0,0,0,0|1,0,0]=3 5244 B13R0.154 CCCCCC=CC(=NNC(C)C)C 4a_100000741168_100016257799 [0,2,0,0,0,0|2,0,0]=4 5245 B13R0.154 CCCCCC=CC(=O)CC=C(C)C 1458a_100016263427_100000761012 [0,2,0,0,0,0|1,0,1]=4 5246 B13R0.154 CCCCCC=CC(=O)CCC(C)C 1458a_100016263427_100000210312 [0,2,0,0,0,0|1,0,0]=3 5247 B13R0.154 CCCCCC=CC(=O)CCC(C)O 1458a_100016263427_100012276601 [0,2,0,0,0,0|1,0,0]=3 5248 B13R0.154 CCCCCC=CC(=O)NCC(=O)N 11a_100000711301_100016263427 [0,2,0,0,0,0|1,0,1]=4 5249 B13R0.154 CCCCCC=CC(=O)NCC(=O)N 240690a_100000711301_100016263427 [0,2,0,0,0,0|1,0,1]=4 5250 B13R0.154 CCCCCC=CC(=O)NCC(C)C 11a_100000210953_100016263427 [0,2,0,0,0,0|1,0,0]=3 5251 B13R0.154 CCCCCC=CC(=O)NCC(C)C 1626a_100000210953_100016263427 [0,2,0,0,0,0|1,0,0]=3 5252 B13R0.154 CCCCCC=CC(=O)NCC(C)C 240690a_100000210953_100016263427 [0,2,0,0,0,0|1,0,0]=3 5253 B13R0.154 CCCCCC=CC(=O)NCC(C)O 11a_100000210904_100016263427 [0,2,0,0,0,0|1,0,0]=3 5254 B13R0.154 CCCCCC=CC(=O)NCC(C)O 240690a_100000210904_100016263427 [0,2,0,0,0,0|1,0,0]=3 5255 B13R0.154 CCCCCC=CC(=O)NCC(F)F 11a_100000765723_100016263427 [0,2,0,0,0,0|1,0,0]=3 5256 B13R0.154 CCCCCC=CC(=O)NCC(F)F 1626a_100000765723_100016263427 [0,2,0,0,0,0|1,0,0]=3 5257 B13R0.154 CCCCCC=CC(=O)NCC(F)F 240690a_100000765723_100016263427 [0,2,0,0,0,0|1,0,0]=3 5258 B13R0.154 CCCCCC=CC(=O)NNC(=O)C 22a_100000189765_100016263427 [0,2,0,0,0,0|1,0,1]=4 5259 B13R0.154 CCCCCC=CC(=O)NNC(C)C 22a_100000741168_100016263427 [0,2,0,0,0,0|1,0,0]=3 5260 B13R0.154 CCCCCCCC(=O)COC(C)C 1458a_100000745533_100000210614 [0,2,0,0,0,0|0,0,2]=4 5261 B13R0.154 CCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100009852258 [0,2,0,0,0,0|0,0,2]=4 5262 B13R0.154 CCCCCCCC(=O)OCN(C)C 2230a_100102631434_100009852258 [0,2,0,0,0,0|0,0,2]=4 5263 B13R0.154 CCCCCCCC(=O)OCN(C)C 269982a_100102631434_100009852258 [0,2,0,0,0,0|0,0,2]=4 5264 B13R0.154 CCCCCCNC(=O)COC(C)C 11a_100000210581_100000745533 [0,2,0,0,0,0|1,0,1]=4 5265 B13R0.154 CCCCCCNC(=O)COC(C)C 1626a_100000210581_100000745533 [0,2,0,0,0,0|1,0,1]=4 5266 B13R0.154 CCCCCCNC(=O)COC(C)C 240690a_100000210581_100000745533 [0,2,0,0,0,0|1,0,1]=4 5267 B13R0.154 CCCCCCNC(=O)COC(C)C 34a_100000212225_100000230325 [0,2,0,0,0,0|1,0,1]=4 5268 B13R0.154 CCCCCCNC(=O)COC(C)C 527a_100000210581_100000745533 [0,2,0,0,0,0|1,0,1]=4 5269 B13R0.154 CCCCCNNC(=O)COC(C)C 22a_100000694160_100000745533 [0,2,0,0,0,0|2,0,0]=4 5270 B13R0.195 C=C(CC(=O)CCCCC)OCOC 1458a_100000212188_100000042856 [0,2,0,0,0,0|1,0,1]=4 5271 B13R0.195 C=CCOC(=O)CC(=O)CCCCC 1458a_100000212188_100000033060 [0,2,0,0,0,0|0,0,2]=4 5272 B13R0.195 CCC#CC(=O)CC(=O)CCCCC 1458a_100011827653_200012276598 [0,2,0,0,0,0|1,0,1]=4 5273 B13R0.195 CCC=CC(=O)CC(=O)CCCCC 1458a_100000212282_200012276598 [0,2,0,0,0,0|1,0,1]=4 5274 B13R0.195 CCCCCC(=O)CC(=O)CCCC 1458a_100000210183_200012276598 [0,2,0,0,0,0|1,0,1]=4 5275 B13R0.195 CCCCCC(=O)CC(=O)CCOC 1458a_100000749529_200012276598 [0,2,0,0,0,0|1,0,1]=4 5276 B13R0.195 CCCCCC(=O)CC(=O)CCSC 1458a_100000174002_200012276598 [0,2,0,0,0,0|1,0,1]=4 5277 B13R0.195 CCCCCC(=O)CC(=O)COCC 1458a_100000211967_200012276598 [0,2,0,0,0,0|0,0,1]=3 5278 B13R0.195 CCCCCC(=O)CC(=O)CSCC 1458a_100000230394_200012276598 [0,2,0,0,0,0|0,1,1]=4 5279 B13R0.195 CCCCCC(=O)CC(=O)NCCC 1458a_100000212188_100000183358 [0,2,0,0,0,0|1,0,1]=4 5280 B13R0.195 CCCCCC(=O)CC(=O)OCCC 1458a_100000212188_200011215008 [0,2,0,0,0,0|0,0,1]=3 5281 B13R0.195 CCCCCC(C)NC(=O)COCC 11a_100000211957_100000211967 [0,2,0,0,0,0|1,0,1]=4 5282 B13R0.195 CCCCCC(C)NC(=O)COCC 1626a_100000211957_100000211967 [0,2,0,0,0,0|1,0,1]=4 5283 B13R0.195 CCCCCC(C)NC(=O)COCC 240690a_100000211957_100000211967 [0,2,0,0,0,0|1,0,1]=4 5284 B13R0.195 CCCCCC(C)NC(=O)COCC 34a_100121572206_100000230335 [0,2,0,0,0,0|1,0,1]=4 5285 B13R0.195 CCCCCC(C)NC(=O)COCC 527a_100000211957_100000211967 [0,2,0,0,0,0|1,0,1]=4 5286 B13R0.195 CCCCCC(C)OC(=O)COCC 34a_100121572206_200000092394 [0,2,0,0,0,0|1,0,1]=4 5287 B13R0.195 CCCCCN(C)CC(=O)OCCC 2230a_100000223495_200011215008 [0,2,0,0,0,0|1,0,1]=4 5288 B13R0.195 CCCCCN(C)CC(=O)OCCC 269982a_100000223495_200011215008 [0,2,0,0,0,0|1,0,1]=4 5289 B13R0.195 CCCCNC(=O)CC(=O)COCC 1458a_100000211967_100000182744 [0,2,0,0,0,0|1,0,1]=4 5290 B13R0.195 CCCCOC(=O)CC(=O)COCC 1458a_100000211967_100000211628 [0,2,0,0,0,0|1,0,1]=4 5291 B13R0.195 CCCOC(=O)CC(=O)CCCCO 1458a_100000695505_200011215008 [0,2,0,0,0,0|1,0,1]=4 5292 B13R0.195 CCCOC(=O)CC(=O)CCCOC 1458a_100000741012_200011215008 [0,2,0,0,0,0|1,0,1]=4 5293 B13R0.195 CCCOC(=O)CC(=O)CCCSC 1458a_100000173376_200011215008 [0,2,0,0,0,0|1,0,1]=4 5294 B13R0.195 CCCOC(=O)CC(=O)CCOCC 1458a_100000749530_200011215008 [0,2,0,0,0,0|1,0,1]=4 5295 B13R0.195 CCCOC(=O)CC(=O)CCSCC 1458a_100000230768_200011215008 [0,2,0,0,0,0|1,0,1]=4 5296 B13R0.195 CCCOC(=O)CC(=O)CSCCC 1458a_100000217233_200011215008 [0,2,0,0,0,0|1,0,1]=4 5297 B13R0.195 CCCOCC(=O)CC(=O)OCCC 1458a_100000745993_200011215008 [0,2,0,0,0,0|1,0,1]=4 5298 B13R0.338 C#CCCCC(=O)C=CCCCCC 1458a_100016263427_100000731252 [0,2,0,0,0,0|1,0,0]=3 5299 B13R0.338 C#CCCNC(=O)C=CCCCCC 11a_100000755551_100016263427 [0,2,0,0,0,0|1,0,0]=3 5300 B13R0.338 C#CCCNC(=O)C=CCCCCC 1626a_100000755551_100016263427 [0,2,0,0,0,0|1,0,0]=3 5301 B13R0.338 C#CCCNC(=O)C=CCCCCC 240690a_100000755551_100016263427 [0,2,0,0,0,0|1,0,0]=3 5302 B13R0.338 C=CCCCC(=O)C=CCCCCC 1458a_100016263427_100000757094 [0,2,0,0,0,0|1,0,0]=3 5303 B13R0.338 C=CCCNC(=O)C=CCCCCC 11a_100015191253_100016263427 [0,2,0,0,0,0|1,0,0]=3 5304 B13R0.338 C=CCCNC(=O)C=CCCCCC 1626a_100015191253_100016263427 [0,2,0,0,0,0|1,0,0]=3 5305 B13R0.338 C=CCCNC(=O)C=CCCCCC 240690a_100015191253_100016263427 [0,2,0,0,0,0|1,0,0]=3 5306 B13R0.338 C=CCNNC(=O)C=CCCCCC 22a_100020588587_100016263427 [0,2,0,0,0,0|1,0,1]=4 5307 B13R0.338 C=COCCC(=O)C=CCCCCC 1458a_100016263427_100000039644 [0,2,0,0,0,0|0,0,2]=4 5308 B13R0.338 CC#CCNC(=O)C=CCCCCC 11a_100000685387_100016263427 [0,2,0,0,0,0|1,0,0]=3 5309 B13R0.338 CC#CCNC(=O)C=CCCCCC 1626a_100000685387_100016263427 [0,2,0,0,0,0|1,0,0]=3 5310 B13R0.338 CC/C=C\CC(=O)C=CCCCCC 1458a_100016263427_100103147603 [0,2,0,0,0,0|1,0,0]=3 5311 B13R0.338 CCC#CCC(=O)C=CCCCCC 1458a_100016263427_100009813939 [0,2,0,0,0,0|1,0,0]=3 5312 B13R0.338 CCC/C=C/C=CC(=O)CCOCC 1458a_200016258893_100011215890 [0,2,0,0,0,0|0,0,2]=4 5313 B13R0.338 CCCC/C=C/CC(=O)CCOCC 1458a_200016282684_100011215890 [0,2,0,0,0,0|0,0,2]=4 5314 B13R0.338 CCCCCC#CC(=O)CCOCC 1458a_100011215388_100011215890 [0,2,0,0,0,0|0,0,2]=4 5315 B13R0.338 CCCCCC=CC(=NNCCC)C 4a_100000740057_100016257799 [0,2,0,0,0,0|2,0,0]=4 5316 B13R0.338 CCCCCC=CC(=NNCCO)C 4a_100000210001_100016257799 [0,2,0,0,0,0|2,0,0]=4 5317 B13R0.338 CCCCCC=CC(=O)CC#CCO 1458a_100016263427_200000047223 [0,2,0,0,0,0|1,0,1]=4 5318 B13R0.338 CCCCCC=CC(=O)CCCC#N 1458a_100016263427_100000211468 [0,2,0,0,0,0|1,0,0]=3 5319 B13R0.338 CCCCCC=CC(=O)CCCCC 1458a_100016263427_100000210326 [0,2,0,0,0,0|1,0,0]=3 5320 B13R0.338 CCCCCC=CC(=O)CCCCF 1458a_100016263427_100000729493 [0,2,0,0,0,0|1,0,0]=3 5321 B13R0.338 CCCCCC=CC(=O)CCCCO 1458a_100016263427_100000210776 [0,2,0,0,0,0|1,0,0]=3 5322 B13R0.338 CCCCCC=CC(=O)CCCOC 1458a_100016263427_100000740836 [0,2,0,0,0,0|1,0,0]=3 5323 B13R0.338 CCCCCC=CC(=O)CCOCC 1458a_100016263427_100011215890 [0,2,0,0,0,0|0,0,0]=2 5324 B13R0.338 CCCCCC=CC(=O)CCSCC 1458a_100016263427_100000757381 [0,2,0,0,0,0|0,1,0]=3 5325 B13R0.338 CCCCCC=CC(=O)NCCC#N 11a_100000720768_100016263427 [0,2,0,0,0,0|1,0,0]=3 5326 B13R0.338 CCCCCC=CC(=O)NCCC#N 1626a_100000720768_100016263427 [0,2,0,0,0,0|1,0,0]=3 5327 B13R0.338 CCCCCC=CC(=O)NCCC#N 240690a_100000720768_100016263427 [0,2,0,0,0,0|1,0,0]=3 5328 B13R0.338 CCCCCC=CC(=O)NCCCC 11a_100000102301_100016263427 [0,2,0,0,0,0|1,0,0]=3 5329 B13R0.338 CCCCCC=CC(=O)NCCCC 1626a_100000102301_100016263427 [0,2,0,0,0,0|1,0,0]=3 5330 B13R0.338 CCCCCC=CC(=O)NCCCC 240690a_100000102301_100016263427 [0,2,0,0,0,0|1,0,0]=3 5331 B13R0.338 CCCCCC=CC(=O)NCCCF 11a_100015189416_100016263427 [0,2,0,0,0,0|1,0,0]=3 5332 B13R0.338 CCCCCC=CC(=O)NCCCF 1626a_100015189416_100016263427 [0,2,0,0,0,0|1,0,0]=3 5333 B13R0.338 CCCCCC=CC(=O)NCCCF 240690a_100015189416_100016263427 [0,2,0,0,0,0|1,0,0]=3 5334 B13R0.338 CCCCCC=CC(=O)NCCCO 240690a_100000182051_100016263427 [0,2,0,0,0,0|1,0,0]=3 5335 B13R0.338 CCCCCC=CC(=O)NCCOC 1626a_100000209980_100016263427 [0,2,0,0,0,0|1,0,0]=3 5336 B13R0.338 CCCCCC=CC(=O)NCCOC 240690a_100000209980_100016263427 [0,2,0,0,0,0|1,0,0]=3 5337 B13R0.338 CCCCCC=CC(=O)NCCSC 11a_100020590264_100016263427 [0,2,0,0,0,0|1,0,0]=3 5338 B13R0.338 CCCCCC=CC(=O)NCCSC 1626a_100020590264_100016263427 [0,2,0,0,0,0|1,0,0]=3 5339 B13R0.338 CCCCCC=CC(=O)NCCSC 240690a_100020590264_100016263427 [0,2,0,0,0,0|1,0,0]=3 5340 B13R0.338 CCCCCC=CC(=O)NNCCC 22a_100000740057_100016263427 [0,2,0,0,0,0|1,0,0]=3 5341 B13R0.338 CCCCCC=CC(=O)NNCCO 22a_100000210001_100016263427 [0,2,0,0,0,0|1,0,0]=3 5342 B13R0.338 CCCCCCCC(=O)C=COCC 1458a_100016266692_100000210614 [0,2,0,0,0,0|0,0,2]=4 5343 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000211969_100011215890 [0,2,0,0,0,0|0,0,2]=4 5344 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000749530_100000210614 [0,2,0,0,0,0|0,0,2]=4 5345 B13R0.338 CCCCCCCC(=O)COCCC 1458a_100000745993_100000210614 [0,2,0,0,0,0|0,0,2]=4 5346 B13R0.338 CCCCCCCC(=O)COCCO 1458a_100000708028_100000210614 [0,2,0,0,0,0|0,0,2]=4 5347 B13R0.338 CCCCCCCC(=O)OCNCC 2230a_100015525214_100009852258 [0,2,0,0,0,0|0,0,2]=4 5348 B13R0.338 CCCCCCCC(=O)OCOCC 34a_100121572206_100009852258 [0,2,0,0,0,0|0,0,2]=4 5349 B13R0.338 CCCCCCCC(=O)OCSCC 62a_100000210202_100009852258 [0,2,0,0,0,0|0,0,2]=4 5350 B13R0.338 CCCCCCCC(=O)OCSCF 62a_100015361967_100009852258 [0,2,0,0,0,0|0,0,2]=4 5351 B13R0.338 CCCCCCNC(=O)C=COCC 11a_100000210581_100016266692 [0,2,0,0,0,0|1,0,1]=4 5352 B13R0.338 CCCCCCNC(=O)C=COCC 1626a_100000210581_100016266692 [0,2,0,0,0,0|1,0,1]=4 5353 B13R0.338 CCCCCCNC(=O)C=COCC 240690a_100000210581_100016266692 [0,2,0,0,0,0|1,0,1]=4 5354 B13R0.338 CCCCCCNC(=O)CCOCC 11a_100000210581_100000749530 [0,2,0,0,0,0|1,0,1]=4 5355 B13R0.338 CCCCCCNC(=O)CCOCC 1626a_100000210581_100000749530 [0,2,0,0,0,0|1,0,1]=4 5356 B13R0.338 CCCCCCNC(=O)CCOCC 240690a_100000210581_100000749530 [0,2,0,0,0,0|1,0,1]=4 5357 B13R0.338 CCCCCCNC(=O)CCOCC 527a_100000210581_100000749530 [0,2,0,0,0,0|1,0,1]=4 5358 B13R0.338 CCCCCCNC(=O)COCCBr 34a_100000211926_100000230325 [0,2,0,0,0,0|1,0,1]=4 5359 B13R0.338 CCCCCCNC(=O)COCCC 11a_100000210581_100000745993 [0,2,0,0,0,0|1,0,1]=4 5360 B13R0.338 CCCCCCNC(=O)COCCC 1626a_100000210581_100000745993 [0,2,0,0,0,0|1,0,1]=4 5361 B13R0.338 CCCCCCNC(=O)COCCC 240690a_100000210581_100000745993 [0,2,0,0,0,0|1,0,1]=4 5362 B13R0.338 CCCCCCNC(=O)COCCC 34a_100000210258_100000230325 [0,2,0,0,0,0|1,0,1]=4 5363 B13R0.338 CCCCCCNC(=O)COCCC 527a_100000210581_100000745993 [0,2,0,0,0,0|1,0,1]=4 5364 B13R0.338 CCCCCCNC(=O)COCCN 34a_100000210304_100000230325 [0,2,0,0,0,0|1,0,1]=4 5365 B13R0.338 CCCCCCNC(=O)COCCO 1626a_100000210581_100000708028 [0,2,0,0,0,0|1,0,1]=4 5366 B13R0.338 CCCCCCNC(=O)COCCO 240690a_100000210581_100000708028 [0,2,0,0,0,0|1,0,1]=4 5367 B13R0.338 CCCCCNCC(=O)OCCCC 2230a_100000209983_100000211628 [0,2,0,0,0,0|1,0,1]=4 5368 B13R0.338 CCCCCNCC(=O)OCCOC 2230a_100000209983_200000040189 [0,2,0,0,0,0|1,0,1]=4 5369 B13R0.338 CCCCCNNC(=O)C=COCC 22a_100000694160_100016266692 [0,2,0,0,0,0|2,0,0]=4 5370 B13R0.338 CCCCCNNC(=O)CCOCC 22a_100000694160_100000749530 [0,2,0,0,0,0|2,0,0]=4 5371 B13R0.338 CCCCCNNC(=O)COCCC 22a_100000694160_100000745993 [0,2,0,0,0,0|2,0,0]=4 5372 B13R0.338 CCCCCOCC(=O)OCCCC 34a_100000210253_100000211628 [0,2,0,0,0,0|1,0,1]=4 5373 B13R0.338 CCCCCOCC(=O)OCCCC 7a_100000210253_100000211628 [0,2,0,0,0,0|1,0,1]=4 5374 B13R0.338 CCCCCOCC(=O)OCCOC 34a_100000210253_200000040189 [0,2,0,0,0,0|1,0,1]=4 5375 B13R0.338 CCCCCOCC(=O)OCCOC 7a_100000210253_200000040189 [0,2,0,0,0,0|1,0,1]=4 5376 B13R0.338 CCCCCSCC(=O)OCCCC 62a_100000210326_100000211628 [0,2,0,0,0,0|1,0,1]=4 5377 B13R0.338 CCCCCSCC(=O)OCCCC 62a_100000211628_100000210326 [0,2,0,0,0,0|1,0,1]=4 5378 B13R0.338 CCCCCSCC(=O)OCCOC 62a_100000210326_200000040189 [0,2,0,0,0,0|1,0,1]=4 5379 B13R0.338 CCCCCSCC(=O)OCCOC 62a_200000040189_100000210326 [0,2,0,0,0,0|1,0,1]=4 5380 B13R0.89 C=C(CCC)CC(=O)CC(=O)OCC 1458a_100000138376_100000188475 [0,2,0,0,0,0|0,0,2]=4 5381 B13R0.89 CCCC(=CC(=O)CC(C)CCC)C 1458a_100020676950_100011216630 [0,2,0,0,0,0|2,0,0]=4 5382 B13R0.89 CCCC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_100000747444 [0,2,0,0,0,0|0,0,2]=4 5383 B13R0.89 CCCC(=O)CC(=O)CC(C)CCC 1458a_100000748435_100000747444 [0,2,0,0,0,0|1,0,1]=4 5384 B13R0.89 CCCC(=O)CC(=O)NC(=O)OCC 1458a_100000211992_100000010344 [0,2,0,0,0,0|1,0,1]=4 5385 B13R0.89 CCCC(C)CC(=O)CC(=O)NCC 1458a_100000748435_100000183381 [0,2,0,0,0,0|1,0,1]=4 5386 B13R0.89 CCCC(C)CC(=O)CC(=O)OCC 1458a_100000243816_100011216630 [0,2,0,0,0,0|0,0,1]=3 5387 B13R0.89 CCCC(C)CC(=O)CC(=O)OCC 1458a_100000748435_100000188475 [0,2,0,0,0,0|0,0,1]=3 5388 B13R0.89 CCCC(C)CN(C)CC(=O)OCC 2230a_100000220588_100011216630 [0,2,0,0,0,0|1,0,1]=4 5389 B13R0.89 CCCC(C)CN(C)CC(=O)OCC 270004a_100000220588_100000243154 [0,2,0,0,0,0|1,0,1]=4 5390 B13R0.89 CCCC(C)NC(=O)CC(=O)OCC 240690a_100000741246_100000243816 [0,2,0,0,0,0|1,0,1]=4 5391 B13R0.89 CCCN(C)CC(=CC(=O)OCC)C 2230a_100000747261_100135422193 [0,2,0,0,0,0|1,0,0]=3 5392 B13R0.89 CCCN(C)CC(=CC(=O)OCC)C 269982a_100000747261_100135422193 [0,2,0,0,0,0|1,0,0]=3 5393 B13R0.89 CCCN(C)CC(=O)CC(=O)OCC 269982a_100000747261_100000210311 [0,2,0,0,0,0|1,0,1]=4 5394 B13R0.89 CCCN(C)CC(=O)NC(=O)OCC 269982a_100000747261_100000010344 [0,2,0,0,0,0|2,0,0]=4 5395 B13R0.89 CCCS(=O)CC(=O)CC(=O)OCC 1458a_100011387404_100000188475 [0,2,0,0,0,0|1,0,1]=4 5396 B13R0.89 CCOC(=O)C=C(C)CN(C)CCO 2230a_100000210263_100135422193 [0,2,0,0,0,0|2,0,0]=4 5397 B13R0.89 CCOC(=O)C=C(C)CN(C)CCO 269982a_100000210263_100135422193 [0,2,0,0,0,0|2,0,0]=4 5398 B13R0.89 CCOC(=O)CC(=O)CC(C)SCC 1458a_200011311441_100000188475 [0,2,0,0,0,0|1,0,1]=4 5399 B13R0.331 C=C(C)COCC(=CC(=O)OCC)C 34a_100000210245_100135422193 [0,2,0,0,0,0|1,0,1]=4 5400 B13R0.331 C=C(C)CSCC(=CC(=O)OCC)C 62a_100000748629_100135422193 [0,2,0,0,0,0|1,0,1]=4 5401 B13R0.331 C=C(C)CSCC(=CC(=O)OCC)C 62a_100135422193_100000211660 [0,2,0,0,0,0|1,0,1]=4 5402 B13R0.331 CCCC(=CC(=O)CCCC(C)C)C 1458a_100020676950_100011214892 [0,2,0,0,0,0|2,0,0]=4 5403 B13R0.331 CCCC(=CC(=O)CCCC(C)O)C 1458a_100020676950_200000718107 [0,2,0,0,0,0|2,0,0]=4 5404 B13R0.331 CCCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747444 [0,2,0,0,0,0|1,0,1]=4 5405 B13R0.331 CCNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000183381 [0,2,0,0,0,0|1,0,1]=4 5406 B13R0.331 CCOC(=O)C=C(C)CNCC(C)C 2230a_100000210953_100135422193 [0,2,0,0,0,0|1,0,0]=3 5407 B13R0.331 CCOC(=O)C=C(C)CNCC(C)C 34a_100000210953_100135422193 [0,2,0,0,0,0|1,0,0]=3 5408 B13R0.331 CCOC(=O)C=C(C)CNCC(C)O 2230a_100000210904_100135422193 [0,2,0,0,0,0|1,0,0]=3 5409 B13R0.331 CCOC(=O)C=C(C)CNCC(C)O 34a_100000210904_100135422193 [0,2,0,0,0,0|1,0,0]=3 5410 B13R0.331 CCOC(=O)C=C(C)CNCC(F)F 34a_100000765723_100135422193 [0,2,0,0,0,0|2,0,0]=4 5411 B13R0.331 CCOC(=O)C=C(C)COCC(=O)C 34a_100000211253_100135422193 [0,2,0,0,0,0|1,0,1]=4 5412 B13R0.331 CCOC(=O)C=C(C)COCC(C)Br 34a_100012180447_100135422193 [0,2,0,0,0,0|1,0,0]=3 5413 B13R0.331 CCOC(=O)C=C(C)COCC(C)C 34a_100000210257_100135422193 [0,2,0,0,0,0|1,0,0]=3 5414 B13R0.331 CCOC(=O)C=C(C)COCC(C)F 34a_100015925927_100135422193 [0,2,0,0,0,0|1,0,0]=3 5415 B13R0.331 CCOC(=O)C=C(C)COCC(F)F 34a_100000743014_100135422193 [0,2,0,0,0,0|2,0,0]=4 5416 B13R0.331 CCOC(=O)C=C(C)COC[C@@H](C)Cl 34a_100016084084_100135422193 [0,2,0,0,0,0|1,0,0]=3 5417 B13R0.331 CCOC(=O)C=C(C)COC[C@@H](C)N 34a_100000737577_100135422193 [0,2,0,0,0,0|1,0,0]=3 5418 B13R0.331 CCOC(=O)C=C(C)CSCC(C)C 62a_100000210624_100135422193 [0,2,0,0,0,0|1,0,0]=3 5419 B13R0.331 CCOC(=O)C=C(C)CSCC(C)C 62a_100135422193_100000210760 [0,2,0,0,0,0|1,0,0]=3 5420 B13R0.331 CCOC(=O)C=C(C)CSCC(C)O 62a_100011218427_100135422193 [0,2,0,0,0,0|1,0,0]=3 5421 B13R0.331 CCOC(=O)C=C(C)CSCC(C)O 62a_100135422193_100011218427 [0,2,0,0,0,0|1,0,0]=3 5422 B13R0.331 CCOC(=O)C=C(C)CSCC(F)F 62a_100011934356_100135422193 [0,2,0,0,0,0|2,0,0]=4 5423 B13R0.331 CCOC(=O)C=C(C)CSCC(F)F 62a_100135422193_100011934356 [0,2,0,0,0,0|2,0,0]=4 5424 B13R0.331 CCOC(=O)C=C(C)CSC[C@@H](C)O 62a_100009817552_100135422193 [0,2,0,0,0,0|1,0,0]=3 5425 B13R0.331 CCOC(=O)C=C(C)CSC[C@@H](C)O 62a_100135422193_100009817552 [0,2,0,0,0,0|1,0,0]=3 5426 B13R0.331 CCOC(=O)CC(=O)CCCC(=O)C 1458a_100000243816_100011215641 [0,2,0,0,0,0|0,0,2]=4 5427 B13R0.331 CCOC(=O)CC(=O)CCCC(C)C 1458a_100000243816_100011214892 [0,2,0,0,0,0|0,0,1]=3 5428 B13R0.331 CCOC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000188475 [0,2,0,0,0,0|0,0,1]=3 5429 B13R0.331 CCOC(=O)CC(=O)CCCC(C)O 1458a_100000243816_200000718107 [0,2,0,0,0,0|0,0,1]=3 5430 B13R0.331 CCOC(=O)CC(=O)CCCN(C)C 1458a_100000243816_100000695564 [0,2,0,0,0,0|1,0,1]=4 5431 B13R0.331 CCOC(=O)CC(=O)CCOC(C)C 1458a_100000243816_100000211751 [0,2,0,0,0,0|1,0,1]=4 5432 B13R0.331 CCOC(=O)CC(=O)CCSC(C)C 1458a_100000243816_100000730970 [0,2,0,0,0,0|1,0,1]=4 5433 B13R0.331 CCOC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000188475 [0,2,0,0,0,0|1,0,1]=4 5434 B13R0.331 CCOC(=O)CC(=O)CSCC(C)C 62a_100000210311_100000210760 [0,2,0,0,0,0|1,0,1]=4 5435 B13R0.331 CCOC(=O)CC(=O)CSCC(C)C 62a_100000210624_100000210311 [0,2,0,0,0,0|1,0,1]=4 5436 B13R0.331 CCOC(=O)CC(=O)CSCC(C)O 62a_100000210311_100011218427 [0,2,0,0,0,0|1,0,1]=4 5437 B13R0.331 CCOC(=O)CC(=O)CSCC(C)O 62a_100011218427_100000210311 [0,2,0,0,0,0|1,0,1]=4 5438 B13R0.331 CCOC(=O)CC(=O)CSC[C@@H](C)O 62a_100000210311_100009817552 [0,2,0,0,0,0|1,0,1]=4 5439 B13R0.331 CCOC(=O)CC(=O)CSC[C@@H](C)O 62a_100009817552_100000210311 [0,2,0,0,0,0|1,0,1]=4 5440 B13R0.331 CCOC(=O)CC(=O)NCCC(C)C 240690a_100000210545_100000243816 [0,2,0,0,0,0|1,0,1]=4 5441 B13R0.331 CCOC(=O)CC(=O)NCCC(C)O 240690a_200000755665_100000243816 [0,2,0,0,0,0|1,0,1]=4 5442 B13R0.331 CCOC(=O)CN(C)CCCC(C)C 2230a_100000220588_100011214892 [0,2,0,0,0,0|1,0,1]=4 5443 B13R0.331 CCOC(=O)CN(C)CCCC(C)O 2230a_100000220588_200000718107 [0,2,0,0,0,0|1,0,1]=4 5444 B13R0.331 CCOC(=O)NC(=O)CSCC(C)C 62a_100000210624_100000010344 [0,2,0,0,0,0|2,0,0]=4 5445 B13R0.331 CCOC(=O)NC(=O)CSCC(C)O 62a_100011218427_100000010344 [0,2,0,0,0,0|2,0,0]=4 5446 B13R0.331 CCOC(=O)NC(=O)CSC[C@@H](C)O 62a_100009817552_100000010344 [0,2,0,0,0,0|2,0,0]=4 5447 B13R0.1051 CCCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210326 [0,2,0,0,0,0|1,0,1]=4 5448 B13R0.1051 CCCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210215 [0,2,0,0,0,0|1,0,1]=4 5449 B13R0.1521 CCCC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000747444 [0,2,0,0,0,0|1,0,1]=4 5450 B13R0.1521 CCNC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000183381 [0,2,0,0,0,0|1,0,1]=4 5451 B13R0.1521 CCOC(=O)C=C(C)CNC(C)CC 2230a_100000209981_100135422193 [0,2,0,0,0,0|1,0,0]=3 5452 B13R0.1521 CCOC(=O)C=C(C)CN[C@H](C)CO 2230a_100000737577_100135422193 [0,2,0,0,0,0|2,0,0]=4 5453 B13R0.1521 CCOC(=O)C=C(C)COC(C)CC 7a_100000210228_100135422193 [0,2,0,0,0,0|1,0,0]=3 5454 B13R0.1521 CCOC(=O)C=C(C)COC(C)CF 34a_100016041109_100135422193 [0,2,0,0,0,0|2,0,0]=4 5455 B13R0.1521 CCOC(=O)C=C(C)COC(C)CF 7a_100016041109_100135422193 [0,2,0,0,0,0|2,0,0]=4 5456 B13R0.1521 CCOC(=O)C=C(C)COC(C)CN 34a_100000210904_100135422193 [0,2,0,0,0,0|2,0,0]=4 5457 B13R0.1521 CCOC(=O)C=C(C)CSC(C)CC 62a_100000758301_100135422193 [0,2,0,0,0,0|1,0,0]=3 5458 B13R0.1521 CCOC(=O)C=C(C)CSC(C)CC 62a_100135422193_100000758301 [0,2,0,0,0,0|1,0,0]=3 5459 B13R0.1521 CCOC(=O)C=C(C)CSC(C)CO 62a_100012180447_100135422193 [0,2,0,0,0,0|2,0,0]=4 5460 B13R0.1521 CCOC(=O)C=C(C)CSC(C)OC 62a_100009879195_100135422193 [0,2,0,0,0,0|2,0,0]=4 5461 B13R0.1521 CCOC(=O)C=C(C)CSC(C)OC 62a_100135422193_100009879195 [0,2,0,0,0,0|2,0,0]=4 5462 B13R0.1521 CCOC(=O)C=C(C)CS[C@H](C)CO 62a_100016084084_100135422193 [0,2,0,0,0,0|2,0,0]=4 5463 B13R0.1521 CCOC(=O)C=C(C)CS[C@H](C)CO 62a_100135422193_100016084084 [0,2,0,0,0,0|2,0,0]=4 5464 B13R0.1521 CCOC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000188475 [0,2,0,0,0,0|0,0,1]=3 5465 B13R0.1521 CCOC(=O)CC(=O)CCN(C)CC 1458a_100000755305_100000188475 [0,2,0,0,0,0|1,0,1]=4 5466 B13R0.1521 CCOC(=O)CC(=O)CCS(=O)CC 1458a_100011387550_100000188475 [0,2,0,0,0,0|1,0,1]=4 5467 B13R0.1521 CCOC(=O)CC(=O)CSC(C)CC 62a_100000210311_100000758301 [0,2,0,0,0,0|1,0,1]=4 5468 B13R0.1521 CCOC(=O)CC(=O)CSC(C)CC 62a_100000758301_100000210311 [0,2,0,0,0,0|1,0,1]=4 5469 B13R0.1521 CCOC(=O)CC(=O)NCC(C)CC 240690a_100020588543_100000243816 [0,2,0,0,0,0|1,0,1]=4 5470 B13R0.1521 CCOC(=O)CC(=O)NCC(O)CC 240690a_100011218483_100000243816 [0,2,0,0,0,0|1,0,1]=4 5471 B13R0.1521 CCOC(=O)NC(=O)COC(C)CC 7a_100000210228_100000010344 [0,2,0,0,0,0|2,0,0]=4 5472 B13R0.1521 CCOC(=O)NC(=O)CSC(C)CC 62a_100000758301_100000010344 [0,2,0,0,0,0|2,0,0]=4 5473 B13R0.91 CCOC(=O)/C=C/CNC(C)C(C)C 2230a_100000211541_100016267167 [0,2,0,0,0,0|1,0,0]=3 5474 B13R0.91 CCOC(=O)/C=C/COC(C)C(=O)C 34a_100000212229_100016267167 [0,2,0,0,0,0|1,0,1]=4 5475 B13R0.91 CCOC(=O)/C=C/COC(C)C(C)C 7a_100000748068_100016267167 [0,2,0,0,0,0|1,0,0]=3 5476 B13R0.91 CCOC(=O)/C=C/CSC(C)C(=O)C 62a_100009814033_100016267167 [0,2,0,0,0,0|1,0,1]=4 5477 B13R0.91 CCOC(=O)/C=C/CSC(C)C(=O)C 62a_100016267167_100009814033 [0,2,0,0,0,0|1,0,1]=4 5478 B13R0.91 CCOC(=O)COCCC(N)C(C)C 34a_100161115045_100000188475 [0,2,0,0,0,0|1,0,1]=4 5479 B13R0.423 CCOC(=O)/C=C/CNC(C)(C)CC 2230a_100000211385_100016267167 [0,2,0,0,0,0|1,0,0]=3 5480 B13R0.423 CCOC(=O)/C=C/CNC(C)(C)CO 2230a_100000210608_100016267167 [0,2,0,0,0,0|2,0,0]=4 5481 B13R0.423 CCOC(=O)/C=C/COC(C)(C)CC 7a_100000210230_100016267167 [0,2,0,0,0,0|1,0,0]=3 5482 B13R0.423 CCOC(=O)/C=C/COC(C)(C)CCl 7a_100000764493_100016267167 [0,2,0,0,0,0|2,0,0]=4 5483 B13R0.423 CCOC(=O)/C=C/CSC(C)(C)CC 62a_100000032637_100016267167 [0,2,0,0,0,0|1,0,0]=3 5484 B13R0.423 CCOC(=O)/C=C/CSC(C)(C)CC 62a_100016267167_100000032637 [0,2,0,0,0,0|1,0,0]=3 5485 B13R0.423 CCOC(=O)/C=C/CSC(F)(F)CO 62a_100011217949_100016267167 [0,2,0,0,0,0|2,0,0]=4 5486 B13R0.423 CCOC(=O)/C=C/CSC(F)(F)CO 62a_100016267167_100011217949 [0,2,0,0,0,0|2,0,0]=4 5487 B13R0.1115 C#CC(CC)OC/C=C/C(=O)OCC 34a_100000758843_100016267167 [0,2,0,0,0,0|1,0,0]=3 5488 B13R0.1115 C#CC(CC)OC/C=C/C(=O)OCC 7a_100000758843_100016267167 [0,2,0,0,0,0|1,0,0]=3 5489 B13R0.1115 C=CC(CC)OC/C=C/C(=O)OCC 34a_100000766422_100016267167 [0,2,0,0,0,0|1,0,0]=3 5490 B13R0.1115 C=CC(CC)OC/C=C/C(=O)OCC 7a_100000766422_100016267167 [0,2,0,0,0,0|1,0,0]=3 5491 B13R0.1115 C=C[C@@H](CO)NC/C=C/C(=O)OCC 2230a_100016989147_100016267167 [0,2,0,0,0,0|2,0,0]=4 5492 B13R0.1115 C=C[C@@H](CO)NC/C=C/C(=O)OCC 34a_100016989147_100016267167 [0,2,0,0,0,0|2,0,0]=4 5493 B13R0.1115 CCOC(=O)/C=C/CNC(CC)CC 2230a_100000199018_100016267167 [0,2,0,0,0,0|1,0,0]=3 5494 B13R0.1115 CCOC(=O)/C=C/CNC(CO)CO 2230a_100000759517_100016267167 [0,2,0,0,0,0|2,0,0]=4 5495 B13R0.1115 CCOC(=O)/C=C/CN[C@@H](CC)CO 2230a_100000709445_100016267167 [0,2,0,0,0,0|1,0,0]=3 5496 B13R0.1115 CCOC(=O)/C=C/COC(CC)CC 7a_100000688536_100016267167 [0,2,0,0,0,0|1,0,0]=3 5497 B13R0.1115 CCOC(=O)/C=C/COC(CCl)CCl 7a_100000737055_100016267167 [0,2,0,0,0,0|2,0,0]=4 5498 B13R0.1115 CCOC(=O)/C=C/COC(CF)CF 34a_100000032261_100016267167 [0,2,0,0,0,0|2,0,0]=4 5499 B13R0.1115 CCOC(=O)/C=C/COC(CF)CF 7a_100000032261_100016267167 [0,2,0,0,0,0|2,0,0]=4 5500 B13R0.1115 CCOC(=O)/C=C/COC(CN)CN 34a_100000031598_100016267167 [0,2,0,0,0,0|2,0,0]=4 5501 B13R0.1115 CCOC(=O)/C=C/CO[C@@H](CF)CCl 34a_100015614560_100016267167 [0,2,0,0,0,0|2,0,0]=4 5502 B13R0.1115 CCOC(=O)/C=C/CO[C@@H](CF)CCl 7a_100015614560_100016267167 [0,2,0,0,0,0|2,0,0]=4 5503 B13R0.1115 CCOC(=O)/C=C/CSC(CC)CC 62a_100000210505_100016267167 [0,2,0,0,0,0|1,0,0]=3 5504 B13R0.1115 CCOC(=O)/C=C/CSC(CC)CC 62a_100016267167_100000210505 [0,2,0,0,0,0|1,0,0]=3 5505 B13R0.21 CCOC(=O)/C=C/CNCC(C)(C)C 2230a_100000743828_100016267167 [0,2,0,0,0,0|1,0,0]=3 5506 B13R0.21 CCOC(=O)/C=C/CNCC(C)(C)F 2230a_100020643315_100016267167 [0,2,0,0,0,0|1,0,0]=3 5507 B13R0.21 CCOC(=O)/C=C/CNCC(C)(C)O 2230a_100000751335_100016267167 [0,2,0,0,0,0|1,0,0]=3 5508 B13R0.21 CCOC(=O)/C=C/CNCC(F)(F)F 34a_100000717047_100016267167 [0,2,0,0,0,0|2,0,0]=4 5509 B13R0.21 CCOC(=O)/C=C/COCC(C)(C)F 34a_100000716592_100016267167 [0,2,0,0,0,0|1,0,0]=3 5510 B13R0.21 CCOC(=O)/C=C/COCC(C)(F)F 34a_100000068830_100016267167 [0,2,0,0,0,0|1,0,0]=3 5511 B13R0.21 CCOC(=O)/C=C/COCC(F)(F)Br 34a_100011217949_100016267167 [0,2,0,0,0,0|2,0,0]=4 5512 B13R0.21 CCOC(=O)/C=C/COCC(F)(F)Cl 34a_100000734434_100016267167 [0,2,0,0,0,0|2,0,0]=4 5513 B13R0.21 CCOC(=O)/C=C/COCC(F)(F)F 34a_100000210435_100016267167 [0,2,0,0,0,0|2,0,0]=4 5514 B13R0.21 CCOC(=O)/C=C/CSCC(C)(C)C 62a_100011219605_100016267167 [0,2,0,0,0,0|1,0,0]=3 5515 B13R0.21 CCOC(=O)/C=C/CSCC(C)(C)C 62a_100016267167_100011219605 [0,2,0,0,0,0|1,0,0]=3 5516 B13R0.21 CCOC(=O)/C=C/CSCC(C)(C)F 62a_100011997219_100016267167 [0,2,0,0,0,0|1,0,0]=3 5517 B13R0.21 CCOC(=O)/C=C/CSCC(C)(C)F 62a_100016267167_100011997219 [0,2,0,0,0,0|1,0,0]=3 5518 B13R0.21 CCOC(=O)/C=C/CSCC(C)(C)O 62a_100000764493_100016267167 [0,2,0,0,0,0|1,0,0]=3 5519 B13R0.21 CCOC(=O)/C=C/CSCC(C)(C)O 62a_100016267167_100000764493 [0,2,0,0,0,0|1,0,0]=3 5520 B13R0.21 CCOC(=O)/C=C/CSCC(F)(F)F 62a_100000763148_100016267167 [0,2,0,0,0,0|2,0,0]=4 5521 B13R0.21 CCOC(=O)/C=C/CSCC(F)(F)F 62a_100016267167_100000763148 [0,2,0,0,0,0|2,0,0]=4 5522 B13R0.21 CCOC(=O)/C=C/CSC[N+](C)(C)C 62a_100016267167_200000036245 [0,2,0,0,0,0|2,0,0]=4 5523 B13R0.21 CCOC(=O)/C=C/CSC[N+](C)(C)C 62a_200000036245_100016267167 [0,2,0,0,0,0|2,0,0]=4 5524 B13R0.21 CCOC(=O)/C=C/CSC[Si](C)(C)C 62a_100000037933_100016267167 [0,2,0,0,0,0|1,1,0]=4 5525 B13R0.21 CCOC(=O)/C=C/CSC[Si](C)(C)C 62a_100016267167_100000037933 [0,2,0,0,0,0|1,1,0]=4 5526 B13R0.21 CCOC(=O)CSCCCC(C)(C)O 62a_100000188475_100009888830 [0,2,0,0,0,0|1,0,1]=4 5527 B13R0.21 CCOC(=O)CSCCCC(C)(C)O 62a_100009888830_100000188475 [0,2,0,0,0,0|1,0,1]=4 5528 B13R0.1523 CCCC(C)(C)COCC(=O)OCC 7a_100011995695_100000188475 [0,2,0,0,0,0|1,0,1]=4 5529 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [1,0,0,1,0,0|1,0,0]=3 5530 B11R1.16 CCCC(=O)C1=CCCCO1 1458a_100000764163_100000210303 [1,0,0,1,0,0|2,0,0]=4 5531 B11R1.16 CCCC(=O)C1=COCCC1 1458a_100000749935_100000210303 [1,0,0,1,0,0|2,0,0]=4 5532 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [1,0,0,1,0,0|1,0,1]=4 5533 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [1,0,0,1,0,0|1,0,1]=4 5534 B11R1.16 CCNC(=O)C1=CCCCC1 11a_100015525214_100000765259 [1,0,0,1,0,0|1,0,0]=3 5535 B11R1.16 CCNC(=O)C1=CCCCC1 240690a_100015525214_100000765259 [1,0,0,1,0,0|1,0,0]=3 5536 B11R1.16 CCNC(=O)C1=CCCCC1 527a_100015525214_100000765259 [1,0,0,1,0,0|1,0,0]=3 5537 B11R1.16 CCNC(=O)C1=CCCCO1 11a_100015525214_100000764163 [1,0,0,1,0,0|2,0,0]=4 5538 B11R1.16 CCNC(=O)C1=CCCCO1 240690a_100015525214_100000764163 [1,0,0,1,0,0|2,0,0]=4 5539 B11R1.16 CCNC(=O)C1=CCCCO1 527a_100015525214_100000764163 [1,0,0,1,0,0|2,0,0]=4 5540 B11R1.16 CCNC(=O)C1=COCCC1 527a_100015525214_100000749935 [1,0,0,1,0,0|2,0,0]=4 5541 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [1,0,0,1,0,0|1,0,1]=4 5542 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [1,0,0,1,0,0|1,0,1]=4 5543 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [1,0,0,1,0,0|1,0,1]=4 5544 B11R1.16 CNNC(=O)C1=CCCCC1 22a_100016993582_100000765259 [1,0,0,1,0,0|2,0,0]=4 5545 B11R1.16 O=C(CCF)C1=CCCCC1 1458a_100000765259_100011217306 [1,0,0,1,0,0|2,0,0]=4 5546 B11R1.16 O=C(CCO)C1=CCCCC1 1458a_100000765259_100000211926 [1,0,0,1,0,0|2,0,0]=4 5547 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [1,0,0,1,0,0|1,0,1]=4 5548 B11R1.30 CCCC(=O)C=C1CCCC1 1458a_100000743260_100000210303 [1,0,0,1,0,0|1,0,0]=3 5549 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [1,0,0,1,0,0|1,0,1]=4 5550 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [1,0,0,1,0,0|1,0,1]=4 5551 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [1,0,0,1,0,0|2,0,0]=4 5552 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [1,0,0,1,0,0|2,0,0]=4 5553 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [1,0,0,1,0,0|2,0,0]=4 5554 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [1,0,0,1,0,0|2,0,0]=4 5555 B11R1.30 CCNC(=O)C=C1CCCC1 11a_100015525214_100000743260 [1,0,0,1,0,0|1,0,0]=3 5556 B11R1.30 CCNC(=O)C=C1CCCC1 240690a_100015525214_100000743260 [1,0,0,1,0,0|1,0,0]=3 5557 B11R1.30 CCNC(=O)C=C1CCCC1 527a_100015525214_100000743260 [1,0,0,1,0,0|1,0,0]=3 5558 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [1,0,0,1,0,0|1,0,1]=4 5559 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [1,0,0,1,0,0|1,0,1]=4 5560 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [1,0,0,1,0,0|1,0,1]=4 5561 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100000211070_100015525214 [1,0,0,1,0,0|2,0,0]=4 5562 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100015525214_100000211070 [1,0,0,1,0,0|2,0,0]=4 5563 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100000211070_100015525214 [1,0,0,1,0,0|2,0,0]=4 5564 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100015525214_100000211070 [1,0,0,1,0,0|2,0,0]=4 5565 B11R1.30 CCNC(=O)NC1CCCC1 512a_100000211070_100015525214 [1,0,0,1,0,0|2,0,0]=4 5566 B11R1.30 CCNC(=O)NC1CCCC1 512a_100015525214_100000211070 [1,0,0,1,0,0|2,0,0]=4 5567 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [1,0,0,1,0,0|1,0,1]=4 5568 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [1,0,0,1,0,0|1,0,1]=4 5569 B11R1.30 CNNC(=O)C=C1CCCC1 22a_100016993582_100000743260 [1,0,0,1,0,0|2,0,0]=4 5570 B11R1.30 O=C(C=C1CCCC1)CCF 1458a_100000743260_100011217306 [1,0,0,1,0,0|2,0,0]=4 5571 B11R1.30 O=C(C=C1CCCC1)CCO 1458a_100000743260_100000211926 [1,0,0,1,0,0|2,0,0]=4 5572 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [1,0,0,1,0,0|1,0,1]=4 5573 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [1,0,0,1,0,0|1,0,1]=4 5574 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [1,0,0,1,0,0|1,0,1]=4 5575 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [1,0,0,1,0,0|1,0,1]=4 5576 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [1,0,0,1,0,0|1,0,1]=4 5577 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [1,0,0,1,0,0|1,0,1]=4 5578 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [1,0,0,1,0,0|1,0,1]=4 5579 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [1,0,0,1,0,0|1,0,1]=4 5580 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [1,0,0,1,0,0|2,0,0]=4 5581 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [1,0,0,1,0,0|2,0,0]=4 5582 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [1,0,0,1,0,0|2,0,0]=4 5583 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [1,0,0,1,0,0|2,0,0]=4 5584 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [1,0,0,1,0,0|2,0,0]=4 5585 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [1,0,0,1,0,0|1,0,1]=4 5586 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [1,0,0,1,0,0|1,0,1]=4 5587 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [1,0,0,1,0,0|1,0,1]=4 5588 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 2708a_100015525214_100020605311 [1,0,0,1,0,0|2,0,0]=4 5589 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 273464a_100015525214_100020605311 [1,0,0,1,0,0|2,0,0]=4 5590 B11R1.199 CCNC(=O)N1CCC[C@H]1C 2708a_100015525214_100015189458 [1,0,0,1,0,0|2,0,0]=4 5591 B11R1.199 CCNC(=O)N1CCC[C@H]1C 273464a_100015525214_100015189458 [1,0,0,1,0,0|2,0,0]=4 5592 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [1,0,0,1,0,0|1,0,1]=4 5593 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [1,0,0,1,0,0|1,0,1]=4 5594 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [1,0,0,1,0,0|1,0,1]=4 5595 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [1,0,0,1,0,0|1,0,1]=4 5596 B11R1.289 CCCC(=O)NCC1CCC1 11a_100000738700_100000211992 [1,0,0,1,0,0|2,0,0]=4 5597 B11R1.289 CCCC(=O)NCC1CCC1 1626a_100000738700_100000211992 [1,0,0,1,0,0|2,0,0]=4 5598 B11R1.289 CCCC(=O)NCC1CCC1 240690a_100000738700_100000211992 [1,0,0,1,0,0|2,0,0]=4 5599 B11R1.289 CCCC(=O)NCC1CCC1 527a_100000738700_100000211992 [1,0,0,1,0,0|2,0,0]=4 5600 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100000738700_100015525214 [1,0,0,1,0,0|2,0,0]=4 5601 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100015525214_100000738700 [1,0,0,1,0,0|2,0,0]=4 5602 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100000738700_100015525214 [1,0,0,1,0,0|2,0,0]=4 5603 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100015525214_100000738700 [1,0,0,1,0,0|2,0,0]=4 5604 B11R1.289 CCNC(=O)NCC1CCC1 512a_100000738700_100015525214 [1,0,0,1,0,0|2,0,0]=4 5605 B11R1.289 CCNC(=O)NCC1CCC1 512a_100015525214_100000738700 [1,0,0,1,0,0|2,0,0]=4 5606 B11R1.289 CCOC(=O)CCN1CCC1 269982a_100000754969_100011206558 [1,0,0,1,0,0|1,0,1]=4 5607 B11R1.289 CCOC(=O)CNC1CCC1 2230a_100000749019_100000188475 [1,0,0,1,0,0|1,0,1]=4 5608 B11R1.289 CCOC(=O)CNC1CCC1 34a_100000749019_100000188475 [1,0,0,1,0,0|1,0,1]=4 5609 B11R1.289 CCOC(=O)COC1CCC1 34a_100000748187_100000188475 [1,0,0,1,0,0|1,0,1]=4 5610 B11R1.289 CCOC(=O)CSC1CCC1 62a_100000188475_100000749161 [1,0,0,1,0,0|1,0,1]=4 5611 B11R1.290 CCCC(=O)NCCC1CC1 1626a_100000764129_100000211992 [1,0,0,1,0,0|2,0,0]=4 5612 B11R1.290 CCCC(=O)NCCC1CC1 240690a_100000764129_100000211992 [1,0,0,1,0,0|2,0,0]=4 5613 B11R1.290 CCCC(=O)NCCC1CC1 527a_100000764129_100000211992 [1,0,0,1,0,0|2,0,0]=4 5614 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100000764129_100015525214 [1,0,0,1,0,0|2,0,0]=4 5615 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100015525214_100000764129 [1,0,0,1,0,0|2,0,0]=4 5616 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100000764129_100015525214 [1,0,0,1,0,0|2,0,0]=4 5617 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100015525214_100000764129 [1,0,0,1,0,0|2,0,0]=4 5618 B11R1.290 CCNC(=O)NCCC1CC1 512a_100000764129_100015525214 [1,0,0,1,0,0|2,0,0]=4 5619 B11R1.290 CCNC(=O)NCCC1CC1 512a_100015525214_100000764129 [1,0,0,1,0,0|2,0,0]=4 5620 B11R1.290 CCOC(=O)C=NNC1CC1 4a_100000701032_100000742314 [1,0,0,1,0,0|2,0,0]=4 5621 B11R1.290 CCOC(=O)CCNC1CC1 34a_100000212008_100000765890 [1,0,0,1,0,0|1,0,1]=4 5622 B11R1.290 CCOC(=O)CCSC1CC1 62a_100000765890_100000211595 [1,0,0,1,0,0|1,0,1]=4 5623 B11R1.290 CCOC(=O)CNCC1CC1 2230a_100000735609_100000188475 [1,0,0,1,0,0|1,0,1]=4 5624 B11R1.290 CCOC(=O)CNCC1CC1 34a_100000735609_100000188475 [1,0,0,1,0,0|1,0,1]=4 5625 B11R1.290 CCOC(=O)COCC1CC1 34a_100000211283_100000188475 [1,0,0,1,0,0|1,0,1]=4 5626 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000188475_100000742324 [1,0,0,1,0,0|1,0,1]=4 5627 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000756562_100000188475 [1,0,0,1,0,0|1,0,1]=4 5628 B11R1.291 CCOC(=O)CN1CCC1C 269982a_100000755817_100000188475 [1,0,0,1,0,0|1,0,1]=4 5629 B11R1.291 CCOC(=O)CN1CCC1C 34a_100000755817_100000188475 [1,0,0,1,0,0|1,0,1]=4 5630 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [1,0,0,1,0,0|1,0,1]=4 5631 B11R1.356 CCCCCNC(=O)C1CC1 11a_100000209983_100000210395 [1,0,0,1,0,0|2,0,0]=4 5632 B11R1.356 CCCCCNC(=O)C1CC1 1626a_100000209983_100000210395 [1,0,0,1,0,0|2,0,0]=4 5633 B11R1.356 CCCCCNC(=O)C1CC1 240690a_100000209983_100000210395 [1,0,0,1,0,0|2,0,0]=4 5634 B11R1.356 CCCCCNC(=O)C1CC1 527a_100000209983_100000210395 [1,0,0,1,0,0|2,0,0]=4 5635 B11R1.18 CCCCC1C=CCN1CC 2230a_100015184376_100000210202 [1,0,0,1,0,0|1,0,1]=4 5636 B11R1.18 CCCCC1C=CCN1CC 269982a_100015184376_100000204670 [1,0,0,1,0,0|1,0,1]=4 5637 B11R1.18 CCCCC1C=CCN1CC 34a_100015184376_100000210202 [1,0,0,1,0,0|1,0,1]=4 5638 B11R1.25 CCC(=O)C=CC1=CCCC1 1458a_100016262312_100000210202 [1,0,0,1,0,0|0,0,2]=4 5639 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [1,0,0,1,0,0|0,0,2]=4 5640 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [1,0,0,1,0,0|0,0,2]=4 5641 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [1,0,0,1,0,0|1,0,1]=4 5642 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [1,0,0,1,0,0|1,0,1]=4 5643 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [1,0,0,1,0,0|1,0,1]=4 5644 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [1,0,0,1,0,0|1,0,1]=4 5645 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [1,0,0,1,0,0|1,0,1]=4 5646 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [1,0,0,1,0,0|1,0,1]=4 5647 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [1,0,0,1,0,0|1,0,1]=4 5648 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [1,0,0,1,0,0|1,0,1]=4 5649 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [1,0,0,1,0,0|1,0,1]=4 5650 B11R1.25 CCC(=O)NNC1CCCC1 22a_100000737850_100000210414 [1,0,0,1,0,0|2,0,0]=4 5651 B11R1.25 COC(=O)CNC1CCCC1 2230a_100000211070_100000747449 [1,0,0,1,0,0|1,0,1]=4 5652 B11R1.25 COC(=O)CNC1CCCC1 34a_100000211070_100000747449 [1,0,0,1,0,0|1,0,1]=4 5653 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [1,0,0,1,0,0|1,0,1]=4 5654 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [1,0,0,1,0,0|1,0,1]=4 5655 B11R1.25 COC(=O)CSC1CCCC1 62a_100000747449_100000179811 [1,0,0,1,0,0|1,0,1]=4 5656 B11R1.25 COC(=O)CSC1CCCC1 62a_100011217020_100000747449 [1,0,0,1,0,0|1,0,1]=4 5657 B11R1.27 CCCOCC1=CC(=O)OC1 34a_100000210258_100000716558 [1,0,0,1,0,0|1,0,0]=3 5658 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000210303_100000716558 [1,0,0,1,0,0|1,0,0]=3 5659 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000716558_100000210303 [1,0,0,1,0,0|1,0,0]=3 5660 B11R1.27 COCSCC1=CC(=O)OC1 62a_100000716558_100000766300 [1,0,0,1,0,0|2,0,0]=4 5661 B11R1.27 COCSCC1=CC(=O)OC1 62a_100000766300_100000716558 [1,0,0,1,0,0|2,0,0]=4 5662 B11R1.27 CSCSCC1=CC(=O)OC1 62a_100000716558_100011218213 [1,0,0,1,0,0|2,0,0]=4 5663 B11R1.27 CSCSCC1=CC(=O)OC1 62a_100011218213_100000716558 [1,0,0,1,0,0|2,0,0]=4 5664 B11R1.27 NCCOCC1=CC(=O)OC1 34a_100000210304_100000716558 [1,0,0,1,0,0|2,0,0]=4 5665 B11R1.27 O=C1C=C(CO1)CNCCF 34a_100000724931_100000716558 [1,0,0,1,0,0|2,0,0]=4 5666 B11R1.27 O=C1C=C(CO1)CNCCO 34a_100016990907_100000716558 [1,0,0,1,0,0|2,0,0]=4 5667 B11R1.27 O=C1C=C(CO1)COCCBr 34a_100000211926_100000716558 [1,0,0,1,0,0|2,0,0]=4 5668 B11R1.27 O=C1C=C(CO1)CSCCF 62a_100000716558_100011217306 [1,0,0,1,0,0|2,0,0]=4 5669 B11R1.27 O=C1C=C(CO1)CSCCF 62a_100011217306_100000716558 [1,0,0,1,0,0|2,0,0]=4 5670 B11R1.27 O=C1C=C(CO1)CSCCO 62a_100000211926_100000716558 [1,0,0,1,0,0|2,0,0]=4 5671 B11R1.27 O=C1C=C(CO1)CSCCO 62a_100000716558_100000211926 [1,0,0,1,0,0|2,0,0]=4 5672 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [1,0,0,1,0,0|0,0,0]=2 5673 B11R1.40 CCC(=O)C=C1CCOCC1 1458a_100000761426_100000210202 [1,0,0,1,0,0|1,0,0]=3 5674 B11R1.40 CCC(=O)CC1=CCCCC1 1458a_100000039269_100000210202 [1,0,0,1,0,0|0,0,2]=4 5675 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [1,0,0,1,0,0|0,0,2]=4 5676 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [1,0,0,1,0,0|0,0,2]=4 5677 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [1,0,0,1,0,0|1,0,1]=4 5678 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [1,0,0,1,0,0|1,0,1]=4 5679 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [1,0,0,1,0,0|1,0,1]=4 5680 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [1,0,0,1,0,0|1,0,1]=4 5681 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [1,0,0,1,0,0|1,0,1]=4 5682 B11R1.40 CNC(=O)C=C1CCCCC1 11a_106832991635_100000743792 [1,0,0,1,0,0|1,0,0]=3 5683 B11R1.40 CNC(=O)C=C1CCCCC1 1626a_100102657272_100000743792 [1,0,0,1,0,0|1,0,0]=3 5684 B11R1.40 CNC(=O)C=C1CCCCC1 240690a_100102657272_100000743792 [1,0,0,1,0,0|1,0,0]=3 5685 B11R1.40 CNC(=O)C=C1CCOCC1 11a_106832991635_100000761426 [1,0,0,1,0,0|2,0,0]=4 5686 B11R1.40 CNC(=O)C=C1CCOCC1 240690a_100102657272_100000761426 [1,0,0,1,0,0|2,0,0]=4 5687 B11R1.40 O=C(C=C1CCCCC1)CF 1458a_100000743792_100015361967 [1,0,0,1,0,0|1,0,0]=3 5688 B11R1.40 O=C(C=C1CCOCC1)CF 1458a_100000761426_100015361967 [1,0,0,1,0,0|2,0,0]=4 5689 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [1,0,0,1,0,0|1,0,1]=4 5690 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [1,0,0,1,0,0|1,0,1]=4 5691 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [1,0,0,1,0,0|1,0,1]=4 5692 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [1,0,0,1,0,0|1,0,1]=4 5693 B11R1.214 CCCCc1ccc(s1)CC 271570a_100020621405_100009844052 [1,0,0,1,0,0|0,1,1]=4 5694 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [1,0,0,1,0,0|0,0,2]=4 5695 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [1,0,0,1,0,0|1,0,1]=4 5696 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [1,0,0,1,0,0|1,0,1]=4 5697 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [1,0,0,1,0,0|1,0,1]=4 5698 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [1,0,0,1,0,0|1,0,1]=4 5699 B11R1.228 CCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747405 [1,0,0,1,0,0|1,0,1]=4 5700 B11R1.228 CCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747405 [1,0,0,1,0,0|1,0,1]=4 5701 B11R1.228 COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747449 [1,0,0,1,0,0|1,0,1]=4 5702 B11R1.228 COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747449 [1,0,0,1,0,0|1,0,1]=4 5703 B11R1.228 COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747449 [1,0,0,1,0,0|1,0,1]=4 5704 B11R1.228 COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747449 [1,0,0,1,0,0|1,0,1]=4 5705 B11R1.228 COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000747449 [1,0,0,1,0,0|1,0,1]=4 5706 B11R1.235 CCC(=O)COCC1CC1C 7a_100000744939_100000747405 [1,0,0,1,0,0|1,0,1]=4 5707 B11R1.235 COC(=O)COCC1CC1C 34a_100000744939_100000747449 [1,0,0,1,0,0|1,0,1]=4 5708 B11R1.235 COC(=O)COCC1CC1C 7a_100000744939_100000747449 [1,0,0,1,0,0|1,0,1]=4 5709 B11R1.236 CCC(=O)COCC1CCC1 34a_100000725409_100000763275 [1,0,0,1,0,0|1,0,1]=4 5710 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000747405_100000763275 [1,0,0,1,0,0|1,0,1]=4 5711 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000763275_100000747405 [1,0,0,1,0,0|1,0,1]=4 5712 B11R1.236 CCC(=O)NNCC1CCC1 22a_200020586977_100000210414 [1,0,0,1,0,0|2,0,0]=4 5713 B11R1.236 COC(=O)/C=C/CN1CCC1 269982a_100000754969_100000742655 [1,0,0,1,0,0|1,0,0]=3 5714 B11R1.236 COC(=O)C=NNC1CCC1 4a_100000736358_200011823558 [1,0,0,1,0,0|2,0,0]=4 5715 B11R1.236 COC(=O)CNCC1CCC1 2230a_100000738700_100000747449 [1,0,0,1,0,0|1,0,1]=4 5716 B11R1.236 COC(=O)CNCC1CCC1 34a_100000738700_100000747449 [1,0,0,1,0,0|1,0,1]=4 5717 B11R1.236 COC(=O)COCC1CCC1 34a_100000760304_100000747449 [1,0,0,1,0,0|1,0,1]=4 5718 B11R1.236 COC(=O)CSCC1CCC1 62a_100000747449_100000763275 [1,0,0,1,0,0|1,0,1]=4 5719 B11R1.236 COC(=O)CSCC1CCC1 62a_100000763275_100000747449 [1,0,0,1,0,0|1,0,1]=4 5720 B11R1.237 CCC(=O)COCCC1CC1 34a_100000725409_100000694398 [1,0,0,1,0,0|1,0,1]=4 5721 B11R1.237 CCC(=O)COCCC1CC1 7a_100000754188_100000747405 [1,0,0,1,0,0|1,0,1]=4 5722 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000747405_100000764125 [1,0,0,1,0,0|1,0,1]=4 5723 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000764125_100000747405 [1,0,0,1,0,0|1,0,1]=4 5724 B11R1.237 COC(=O)/C=C/CNC1CC1 34a_100000212008_100000742655 [1,0,0,1,0,0|1,0,0]=3 5725 B11R1.237 COC(=O)/C=C/CSC1CC1 62a_100000742655_100000211595 [1,0,0,1,0,0|1,0,0]=3 5726 B11R1.237 COC(=O)C=NNCC1CC1 4a_100000736359_200011823558 [1,0,0,1,0,0|2,0,0]=4 5727 B11R1.237 COC(=O)CNCCC1CC1 34a_100000764129_100000747449 [1,0,0,1,0,0|1,0,1]=4 5728 B11R1.237 COC(=O)COCCC1CC1 34a_100000754188_100000747449 [1,0,0,1,0,0|1,0,1]=4 5729 B11R1.237 COC(=O)COCCC1CC1 7a_100000754188_100000747449 [1,0,0,1,0,0|1,0,1]=4 5730 B11R1.237 COC(=O)CSCCC1CC1 62a_100000747449_100000764125 [1,0,0,1,0,0|1,0,1]=4 5731 B11R1.237 COC(=O)CSCCC1CC1 62a_100000764125_100000747449 [1,0,0,1,0,0|1,0,1]=4 5732 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [1,0,0,1,0,0|0,0,2]=4 5733 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [1,0,0,1,0,0|0,0,2]=4 5734 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [1,0,0,1,0,0|1,0,1]=4 5735 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [1,0,0,1,0,0|1,0,1]=4 5736 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [1,0,0,1,0,0|1,0,1]=4 5737 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [1,0,0,1,0,0|1,0,1]=4 5738 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [0,1,0,1,0,0|0,0,2]=4 5739 B13R1.6 CCCCOCN1CCOC(=O)C1 2230a_100000131268_100011995733 [0,1,0,1,0,0|1,0,1]=4 5740 B13R1.6 CCCOCCN1CCOC(=O)C1 2230a_100000131268_100011215938 [0,1,0,1,0,0|1,0,1]=4 5741 B13R1.6 CCOCCCN1CCOC(=O)C1 2230a_100000131268_100012232248 [0,1,0,1,0,0|1,0,1]=4 5742 B13R1.6 COCCCCN1CCOC(=O)C1 2230a_100000131268_100000730899 [0,1,0,1,0,0|1,0,1]=4 5743 B13R1.6 O=C1CN(CCO1)CCCCCF 2230a_100000131268_100000729378 [0,1,0,1,0,0|1,0,1]=4 5744 B13R1.6 O=C1CN(CCO1)CCCCCO 2230a_100000131268_100000746330 [0,1,0,1,0,0|1,0,1]=4 5745 B13R1.42 CCCC(=O)C=CC1=CCCCC1 1458a_100016289660_100000210303 [0,1,0,1,0,0|1,0,1]=4 5746 B13R1.42 CCCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210303 [0,1,0,1,0,0|1,0,0]=3 5747 B13R1.42 CCCC(=O)NN=C1CCCCC1 4a_100000189770_100000210434 [0,1,0,1,0,0|2,0,0]=4 5748 B13R1.42 CCNC(=O)C=CC1=CCCCC1 240690a_100015525214_100016289660 [0,1,0,1,0,0|1,0,1]=4 5749 B13R1.42 CCNC(=O)C=CC1CCCCC1 11a_100015525214_100102566626 [0,1,0,1,0,0|1,0,0]=3 5750 B13R1.42 CCNC(=O)C=CC1CCCCC1 240690a_100015525214_100102566626 [0,1,0,1,0,0|1,0,0]=3 5751 B13R1.42 CCOC(=O)CNC1CCCCC1 2230a_100000182618_100000188475 [0,1,0,1,0,0|0,0,2]=4 5752 B13R1.42 CCOC(=O)CNC1CCCCC1 34a_100000182618_100000188475 [0,1,0,1,0,0|0,0,2]=4 5753 B13R1.42 CCOC(=O)CNC1CCCOC1 2230a_100000719290_100000188475 [0,1,0,1,0,0|1,0,1]=4 5754 B13R1.42 CCOC(=O)CNC1CCCOC1 34a_100000719290_100000188475 [0,1,0,1,0,0|1,0,1]=4 5755 B13R1.42 CCOC(=O)CNC1CCOCC1 2230a_100000741149_100000188475 [0,1,0,1,0,0|1,0,1]=4 5756 B13R1.42 CCOC(=O)CNC1CCOCC1 34a_100000741149_100000188475 [0,1,0,1,0,0|1,0,1]=4 5757 B13R1.42 CCOC(=O)CNC1CCSCC1 2230a_100000748639_100000188475 [0,1,0,1,0,0|1,0,1]=4 5758 B13R1.42 CCOC(=O)CNC1CCSCC1 34a_100000748639_100000188475 [0,1,0,1,0,0|1,0,1]=4 5759 B13R1.42 CCOC(=O)COC1CCCCC1 34a_100000210231_100000188475 [0,1,0,1,0,0|0,0,2]=4 5760 B13R1.42 CCOC(=O)COC1CCCCC1 7a_100000210231_100000188475 [0,1,0,1,0,0|0,0,2]=4 5761 B13R1.42 CCOC(=O)COC1CCCCO1 34a_100000033831_100000188475 [0,1,0,1,0,0|1,0,1]=4 5762 B13R1.42 CCOC(=O)COC1CCCOC1 34a_100000754041_100000188475 [0,1,0,1,0,0|1,0,1]=4 5763 B13R1.42 CCOC(=O)COC1CCCSC1 7a_100015962668_100000188475 [0,1,0,1,0,0|1,0,1]=4 5764 B13R1.42 CCOC(=O)COC1CCOCC1 34a_100000744328_100000188475 [0,1,0,1,0,0|1,0,1]=4 5765 B13R1.42 CCOC(=O)COC1CCSCC1 34a_100000731022_100000188475 [0,1,0,1,0,0|1,0,1]=4 5766 B13R1.42 CCOC(=O)COC1CCSCC1 7a_100000731022_100000188475 [0,1,0,1,0,0|1,0,1]=4 5767 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000188475_100000210327 [0,1,0,1,0,0|0,0,2]=4 5768 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000210327_100000188475 [0,1,0,1,0,0|0,0,2]=4 5769 B13R1.42 CCOC(=O)CSC1CCCOC1 62a_100000188475_100000693364 [0,1,0,1,0,0|1,0,1]=4 5770 B13R1.42 CCOC(=O)CSC1CCOCC1 62a_100000188475_100011324220 [0,1,0,1,0,0|1,0,1]=4 5771 B13R1.42 CCOC(=O)CSC1CCSCC1 62a_100000188475_100000069128 [0,1,0,1,0,0|1,0,1]=4 5772 B13R1.42 CNNC(=O)C=CC1CCCCC1 22a_100016993582_100102566626 [0,1,0,1,0,0|2,0,0]=4 5773 B13R1.42 O=C(C=CC1CCCCC1)CCF 1458a_100102566626_100011217306 [0,1,0,1,0,0|2,0,0]=4 5774 B13R1.42 O=C(C=CC1CCCCC1)CCO 1458a_100102566626_100000211926 [0,1,0,1,0,0|2,0,0]=4 5775 B13R1.190 CCCCCNC1CC(OC1=O)C 2230a_100000209983_200000216747 [0,1,0,1,0,0|1,0,1]=4 5776 B13R1.190 CCCCCOC1CC(OC1=O)C 34a_100000210253_200000216747 [0,1,0,1,0,0|1,0,1]=4 5777 B13R1.190 CCCCCOC1CC(OC1=O)C 7a_100000210253_200000216747 [0,1,0,1,0,0|1,0,1]=4 5778 B13R1.190 CCCCCSC1CC(OC1=O)C 62a_100000210326_200000216747 [0,1,0,1,0,0|1,0,1]=4 5779 B13R1.190 CCCCCSC1CC(OC1=O)C 62a_200000216747_100000210326 [0,1,0,1,0,0|1,0,1]=4 5780 B13R1.190 CCCCNN=C1C=C(OC1C)C 4a_100025702795_100000040871 [0,1,0,1,0,0|2,0,0]=4 5781 B13R1.190 CCCCOCc1cc(oc1C)C 34a_100000688432_100000210210 [0,1,0,1,0,0|1,0,1]=4 5782 B13R1.190 CCCCOCc1cc(oc1C)C 7a_100000688432_100000210211 [0,1,0,1,0,0|1,0,1]=4 5783 B13R1.190 CCCCSCc1oc(=O)oc1C 62a_100000210211_100000068490 [0,1,0,1,0,0|1,0,1]=4 5784 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210303 [0,1,0,1,0,0|0,0,2]=4 5785 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210303 [0,1,0,1,0,0|0,0,2]=4 5786 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCC 7a_200015395474_100000210202 [0,1,0,1,0,0|0,0,2]=4 5787 B13R1.223 CCOC(=O)CN1CCC1COC 2230a_100015195929_100000188475 [0,1,0,1,0,0|1,0,1]=4 5788 B13R1.223 CCOC(=O)CN1CCC1COC 269982a_100015195929_100000188475 [0,1,0,1,0,0|1,0,1]=4 5789 B13R1.223 CCOC(=O)CN1CCC1COC 34a_100015195929_100000188475 [0,1,0,1,0,0|1,0,1]=4 5790 B13R1.404 CCCC(=O)NN=CC1CCCC1 4a_100000189770_100000746403 [0,1,0,1,0,0|2,0,0]=4 5791 B13R1.404 CCOC(=O)/C=C/CN1CC=CC1 269982a_100015195280_100016267167 [0,1,0,1,0,0|0,0,2]=4 5792 B13R1.404 CCOC(=O)/C=C/CN1CCCC1 2230a_100000188435_100016267167 [0,1,0,1,0,0|0,0,0]=2 5793 B13R1.404 CCOC(=O)/C=C/CN1CCCC1 269982a_100000188435_100016267167 [0,1,0,1,0,0|0,0,0]=2 5794 B13R1.404 CCOC(=O)/C=C/CN1CCSC1 2230a_100011215254_100016267167 [0,1,0,1,0,0|1,0,0]=3 5795 B13R1.404 CCOC(=O)/C=C/CN1CCSC1 269982a_100011215254_100016267167 [0,1,0,1,0,0|1,0,0]=3 5796 B13R1.404 CCOC(=O)C=NNC1CCCC1 4a_100000737850_100000742314 [0,1,0,1,0,0|1,0,0]=3 5797 B13R1.404 CCOC(=O)C=NNC1CCOC1 4a_100000690549_100000742314 [0,1,0,1,0,0|2,0,0]=4 5798 B13R1.404 CCOC(=O)C=NNC1CCSC1 4a_200000731317_100000742314 [0,1,0,1,0,0|2,0,0]=4 5799 B13R1.404 CCOC(=O)CCCN1CCCC1 2230a_100000188435_100009991533 [0,1,0,1,0,0|0,0,2]=4 5800 B13R1.404 CCOC(=O)CCCN1CCCC1 269982a_100000188435_100009991533 [0,1,0,1,0,0|0,0,2]=4 5801 B13R1.404 CCOC(=O)CCNC1CCCC1 2230a_100000211070_100011206558 [0,1,0,1,0,0|0,0,2]=4 5802 B13R1.404 CCOC(=O)CCNC1CCCC1 34a_100000211070_100000765890 [0,1,0,1,0,0|0,0,2]=4 5803 B13R1.404 CCOC(=O)CCOC1CCCC1 34a_100000210269_100000765890 [0,1,0,1,0,0|0,0,2]=4 5804 B13R1.404 CCOC(=O)CCOC1CCCC1 7a_100000210269_100011206558 [0,1,0,1,0,0|0,0,2]=4 5805 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100000765890_100000179811 [0,1,0,1,0,0|0,0,2]=4 5806 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100011217020_100000765890 [0,1,0,1,0,0|0,0,2]=4 5807 B13R1.404 CCOC(=O)CNCC1CCCC1 2230a_100000737975_100000188475 [0,1,0,1,0,0|0,0,2]=4 5808 B13R1.404 CCOC(=O)CNCC1CCCC1 34a_100000737975_100000188475 [0,1,0,1,0,0|0,0,2]=4 5809 B13R1.404 CCOC(=O)CNCC1CCOC1 2230a_100000737293_100000188475 [0,1,0,1,0,0|1,0,1]=4 5810 B13R1.404 CCOC(=O)CNCC1CCOC1 34a_100000737293_100000188475 [0,1,0,1,0,0|1,0,1]=4 5811 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000188475 [0,1,0,1,0,0|1,0,1]=4 5812 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000188475 [0,1,0,1,0,0|1,0,1]=4 5813 B13R1.404 CCOC(=O)COCC1CCCC1 34a_100000742336_100000188475 [0,1,0,1,0,0|0,0,2]=4 5814 B13R1.404 CCOC(=O)COCC1CCCC1 7a_100000742336_100000188475 [0,1,0,1,0,0|0,0,2]=4 5815 B13R1.404 CCOC(=O)COCC1CCCO1 34a_100000210270_100000188475 [0,1,0,1,0,0|1,0,1]=4 5816 B13R1.404 CCOC(=O)COCC1CCCO1 7a_100000210270_100000188475 [0,1,0,1,0,0|1,0,1]=4 5817 B13R1.404 CCOC(=O)COCC1CCNC1 34a_100000748654_100000188475 [0,1,0,1,0,0|1,0,1]=4 5818 B13R1.404 CCOC(=O)COCC1CCOC1 34a_100000740260_100000188475 [0,1,0,1,0,0|1,0,1]=4 5819 B13R1.404 CCOC(=O)COC[C@H]1CCCN1 34a_100000745186_100000188475 [0,1,0,1,0,0|1,0,1]=4 5820 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000188475_100000740388 [0,1,0,1,0,0|0,0,2]=4 5821 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000740388_100000188475 [0,1,0,1,0,0|0,0,2]=4 5822 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000188475_100000203698 [0,1,0,1,0,0|1,0,1]=4 5823 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000203698_100000188475 [0,1,0,1,0,0|1,0,1]=4 5824 B13R1.404 CCOC(=O)CSCC1CCOC1 62a_100000188475_100000702531 [0,1,0,1,0,0|1,0,1]=4 5825 B13R1.404 CCOC(=O)CSCC1CCOC1 62a_100000702531_100000188475 [0,1,0,1,0,0|1,0,1]=4 5826 B13R1.404 CCOC(=O)NCCN1CCCC1 269982a_100000188435_200011445536 [0,1,0,1,0,0|1,0,1]=4 5827 B13R1.404 CCOC(=O)OCSC1CCCC1 62a_100011217020_100000075025 [0,1,0,1,0,0|1,0,1]=4 5828 B13R1.443 CCOC(=O)CN1CCCC1CC 2230a_100000754278_100000188475 [0,1,0,1,0,0|0,0,2]=4 5829 B13R1.443 CCOC(=O)CN1CCCC1CC 269982a_100000754278_100000188475 [0,1,0,1,0,0|0,0,2]=4 5830 B13R1.443 CCOC(=O)CN1CCCC1CC 34a_100000754278_100000188475 [0,1,0,1,0,0|0,0,2]=4 5831 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000188475 [0,1,0,1,0,0|1,0,1]=4 5832 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000188475 [0,1,0,1,0,0|1,0,1]=4 5833 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000188475 [0,1,0,1,0,0|1,0,1]=4 5834 B13R1.444 CCCC(=O)NN=C1CCCC1C 4a_100000189770_100000752053 [0,1,0,1,0,0|2,0,0]=4 5835 B13R1.444 CCCC(C)COC1CCOC1=O 34a_100000688023_100000211211 [0,1,0,1,0,0|1,0,1]=4 5836 B13R1.444 CCCC(C)COC1CCOC1=O 7a_100000688023_100000211211 [0,1,0,1,0,0|1,0,1]=4 5837 B13R1.444 CCCC(C)CSC1CCOC1=O 62a_100000211211_100011216630 [0,1,0,1,0,0|1,0,1]=4 5838 B13R1.444 CCCC(C)CSC1CCOC1=O 62a_100011216630_100000211211 [0,1,0,1,0,0|1,0,1]=4 5839 B13R1.444 CCC[C@H](N)COC1CCOC1=O 34a_100000732646_100000211211 [0,1,0,1,0,0|1,0,1]=4 5840 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100011206558 [0,1,0,1,0,0|0,0,2]=4 5841 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100011206558 [0,1,0,1,0,0|0,0,2]=4 5842 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100011206558 [0,1,0,1,0,0|0,0,2]=4 5843 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100011206558 [0,1,0,1,0,0|0,0,2]=4 5844 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000765890 [0,1,0,1,0,0|0,0,2]=4 5845 B13R1.444 CCOC(=O)COC1CCCC1C 34a_100011216460_100000188475 [0,1,0,1,0,0|0,0,2]=4 5846 B13R1.444 CCOC(=O)COC1CCCC1C 7a_100011216460_100000188475 [0,1,0,1,0,0|0,0,2]=4 5847 B13R1.444 CCOC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000188475 [0,1,0,1,0,0|1,0,1]=4 5848 B13R1.444 CCOC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000188475 [0,1,0,1,0,0|1,0,1]=4 5849 B13R1.444 CCOC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000188475 [0,1,0,1,0,0|1,0,1]=4 5850 B13R1.444 CCOC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000188475_200016002552 [0,1,0,1,0,0|1,0,1]=4 5851 B13R1.444 CCOC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000188475 [0,1,0,1,0,0|1,0,1]=4 5852 B13R1.447 CCOC(=O)/C=C/CN[C@@H]1C[C@@H]1F 2230a_100015190264_100016267167 [0,1,0,1,0,0|1,0,0]=3 5853 B13R1.447 CCOC(=O)/C=C/CN[C@@H]1C[C@H]1F 2230a_100025746932_100016267167 [0,1,0,1,0,0|1,0,0]=3 5854 B13R1.447 CCOC(=O)/C=C/CN[C@@H]1C[C@H]1F 34a_100025746932_100016267167 [0,1,0,1,0,0|1,0,0]=3 5855 B13R1.447 CCOC(=O)CCOCC1CC1C 34a_100000744939_100000765890 [0,1,0,1,0,0|0,0,2]=4 5856 B13R1.447 CCOC(=O)CCOCC1CC1C 7a_100000744939_100011206558 [0,1,0,1,0,0|0,0,2]=4 5857 B13R1.448 CCOC(=O)/C=C/CNC1CCC1 2230a_100000749019_100016267167 [0,1,0,1,0,0|0,0,0]=2 5858 B13R1.448 CCOC(=O)/C=C/CNC1CCC1 34a_100000749019_100016267167 [0,1,0,1,0,0|0,0,0]=2 5859 B13R1.448 CCOC(=O)/C=C/CNC1COC1 2230a_100016991112_100016267167 [0,1,0,1,0,0|1,0,0]=3 5860 B13R1.448 CCOC(=O)/C=C/COC1CCC1 34a_100000748187_100016267167 [0,1,0,1,0,0|0,0,0]=2 5861 B13R1.448 CCOC(=O)/C=C/COC1CSC1 7a_100000072292_100016267167 [0,1,0,1,0,0|1,0,0]=3 5862 B13R1.448 CCOC(=O)/C=C/CSC1CCC1 62a_100016267167_100000749161 [0,1,0,1,0,0|0,0,0]=2 5863 B13R1.448 CCOC(=O)/C=C/CSC1COC1 62a_100016267167_100009818527 [0,1,0,1,0,0|1,0,0]=3 5864 B13R1.448 CCOC(=O)C=NNCC1CCC1 4a_200020586977_100000742314 [0,1,0,1,0,0|1,0,0]=3 5865 B13R1.448 CCOC(=O)CCCCN1CCC1 269982a_100000754969_100000750268 [0,1,0,1,0,0|0,0,2]=4 5866 B13R1.448 CCOC(=O)CCCNC1CCC1 2230a_100000749019_100009991533 [0,1,0,1,0,0|0,0,2]=4 5867 B13R1.448 CCOC(=O)CCCNC1CCC1 34a_100000749019_100009991533 [0,1,0,1,0,0|0,0,2]=4 5868 B13R1.448 CCOC(=O)CCCOC1CCC1 34a_100000748187_100009991533 [0,1,0,1,0,0|0,0,2]=4 5869 B13R1.448 CCOC(=O)CCCSC1CCC1 62a_100009991533_100000749161 [0,1,0,1,0,0|0,0,2]=4 5870 B13R1.448 CCOC(=O)CCNCC1CCC1 2230a_100000738700_100011206558 [0,1,0,1,0,0|0,0,2]=4 5871 B13R1.448 CCOC(=O)CCNCC1CCC1 34a_100000738700_100000765890 [0,1,0,1,0,0|0,0,2]=4 5872 B13R1.448 CCOC(=O)CCOCC1CCC1 34a_100000760304_100000765890 [0,1,0,1,0,0|0,0,2]=4 5873 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000763275_100000765890 [0,1,0,1,0,0|0,0,2]=4 5874 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000765890_100000763275 [0,1,0,1,0,0|0,0,2]=4 5875 B13R1.448 CCOC(=O)COCCC1COC1 34a_100009855314_100000188475 [0,1,0,1,0,0|1,0,1]=4 5876 B13R1.448 CCOC(=O)COCCN1CCC1 269982a_100000754969_100000088970 [0,1,0,1,0,0|1,0,1]=4 5877 B13R1.448 CCOC(=O)NCCOC1CCC1 34a_100000158857_100000749161 [0,1,0,1,0,0|1,0,1]=4 5878 B13R1.448 CCOC(=O)NN=CCN1CCC1 269982a_100000754969_100015372823 [0,1,0,1,0,0|2,0,0]=4 5879 B13R1.448 CCOC(=O)OCSCC1CCC1 62a_100000763275_100000075025 [0,1,0,1,0,0|1,0,1]=4 5880 B13R1.448 CCOC(=O)[CH-]C=NNC1CCC1 4a_100000736358_100010622808 [0,1,0,1,0,0|1,0,1]=4 5881 B13R1.453 CCOC(=O)/C=C/CNCC1CC1 2230a_100000735609_100016267167 [0,1,0,1,0,0|0,0,0]=2 5882 B13R1.453 CCOC(=O)/C=C/CNCC1CC1 34a_100000735609_100016267167 [0,1,0,1,0,0|0,0,0]=2 5883 B13R1.453 CCOC(=O)/C=C/COCC1CC1 34a_100000211283_100016267167 [0,1,0,1,0,0|0,0,0]=2 5884 B13R1.453 CCOC(=O)/C=C/COC[C@@H]1CO1 34a_100000757423_100016267167 [0,1,0,1,0,0|1,0,0]=3 5885 B13R1.453 CCOC(=O)/C=C/CSCC1CC1 62a_100000756562_100016267167 [0,1,0,1,0,0|0,0,0]=2 5886 B13R1.453 CCOC(=O)/C=C/CSCC1CC1 62a_100016267167_100000742324 [0,1,0,1,0,0|0,0,0]=2 5887 B13R1.453 CCOC(=O)/C=C/CSCC1CO1 62a_100016267167_102125554688 [0,1,0,1,0,0|1,0,0]=3 5888 B13R1.453 CCOC(=O)/C=C/CSCC1CO1 62a_102125554688_100016267167 [0,1,0,1,0,0|1,0,0]=3 5889 B13R1.453 CCOC(=O)/C=C/CSCC1CS1 62a_100000031435_100016267167 [0,1,0,1,0,0|1,0,0]=3 5890 B13R1.453 CCOC(=O)/C=C/CSCC1CS1 62a_100016267167_100000031435 [0,1,0,1,0,0|1,0,0]=3 5891 B13R1.453 CCOC(=O)/C=C/CSC[C@@H]1CO1 62a_100000745022_100016267167 [0,1,0,1,0,0|1,0,0]=3 5892 B13R1.453 CCOC(=O)/C=C/CSC[C@@H]1CO1 62a_100016267167_100000745022 [0,1,0,1,0,0|1,0,0]=3 5893 B13R1.453 CCOC(=O)C=CC=NNC1CC1 4a_100000701032_100016289910 [0,1,0,1,0,0|1,0,1]=4 5894 B13R1.453 CCOC(=O)CCCCNC1CC1 34a_100000212008_100000750268 [0,1,0,1,0,0|0,0,2]=4 5895 B13R1.453 CCOC(=O)CCCCSC1CC1 62a_100000750268_100000211595 [0,1,0,1,0,0|0,0,2]=4 5896 B13R1.453 CCOC(=O)CCCNCC1CC1 2230a_100000735609_100009991533 [0,1,0,1,0,0|0,0,2]=4 5897 B13R1.453 CCOC(=O)CCCNCC1CC1 34a_100000735609_100009991533 [0,1,0,1,0,0|0,0,2]=4 5898 B13R1.453 CCOC(=O)CCCOCC1CC1 34a_100000211283_100009991533 [0,1,0,1,0,0|0,0,2]=4 5899 B13R1.453 CCOC(=O)CCCOCC1CC1 7a_100012001163_100000742324 [0,1,0,1,0,0|0,0,2]=4 5900 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100000756562_100009991533 [0,1,0,1,0,0|0,0,2]=4 5901 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100009991533_100000742324 [0,1,0,1,0,0|0,0,2]=4 5902 B13R1.453 CCOC(=O)CCNCCC1CC1 34a_100000764129_100000765890 [0,1,0,1,0,0|0,0,2]=4 5903 B13R1.453 CCOC(=O)CCOCCC1CC1 34a_100000754188_100000765890 [0,1,0,1,0,0|0,0,2]=4 5904 B13R1.453 CCOC(=O)CCOCCC1CC1 7a_100000754188_100011206558 [0,1,0,1,0,0|0,0,2]=4 5905 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000764125_100000765890 [0,1,0,1,0,0|0,0,2]=4 5906 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000765890_100000764125 [0,1,0,1,0,0|0,0,2]=4 5907 B13R1.453 CCOC(=O)COCCNC1CC1 34a_100000212008_100000088970 [0,1,0,1,0,0|1,0,1]=4 5908 B13R1.453 CCOC(=O)COCCNC1CC1 34a_100000738766_100000188475 [0,1,0,1,0,0|1,0,1]=4 5909 B13R1.453 CCOC(=O)COCCSC1CC1 62a_100000088970_100000211595 [0,1,0,1,0,0|1,0,1]=4 5910 B13R1.453 CCOC(=O)CSCCCC1CO1 62a_100000188475_100000733510 [0,1,0,1,0,0|1,0,1]=4 5911 B13R1.453 CCOC(=O)CSCCCC1CO1 62a_100000733510_100000188475 [0,1,0,1,0,0|1,0,1]=4 5912 B13R1.453 CCOC(=O)NCCOCC1CC1 34a_100000158857_100000742324 [0,1,0,1,0,0|1,0,1]=4 5913 B13R1.453 CCOC(=O)NCCSCC1CC1 62a_100000756562_200011445536 [0,1,0,1,0,0|1,0,1]=4 5914 B13R1.453 CCOC(=O)OCSCCC1CC1 62a_100000764125_100000075025 [0,1,0,1,0,0|1,0,1]=4 5915 B13R1.453 CCOC(=O)[CH-]C=NNCC1CC1 4a_100000736359_100010622808 [0,1,0,1,0,0|1,0,1]=4 5916 B13R1.461 CCOC(=O)/C=C/CN1CCC1C 269982a_100000755817_100016267167 [0,1,0,1,0,0|0,0,0]=2 5917 B13R1.461 CCOC(=O)/C=C/CN1CCC1C 34a_100000755817_100016267167 [0,1,0,1,0,0|0,0,0]=2 5918 B13R1.461 CCOC(=O)CCCN1CCC1C 269982a_100000755817_100009991533 [0,1,0,1,0,0|0,0,2]=4 5919 B13R1.461 CCOC(=O)CCCN1CCC1C 34a_100000755817_100009991533 [0,1,0,1,0,0|0,0,2]=4 5920 B13R1.461 CCOC(=O)NCCN1CCC1C 269982a_100000755817_200011445536 [0,1,0,1,0,0|1,0,1]=4 5921 B13R1.463 CCCC(=O)C1CCCCCC1=O 1458a_100000211992_100000243696 [0,1,0,1,0,0|1,0,1]=4 5922 B13R1.464 CCOC(=O)C1CCCCC1OC 7a_100000038711_200000210301 [0,1,0,1,0,0|0,0,2]=4 5923 B13R1.464 CCOC(=O)C1CCCCC1O[13CH3] 7a_100000038711_200025704644 [0,1,0,1,0,0|0,0,2]=4 5924 B13R1.464 CCOC(=O)C1CCCCN1CC 2230a_100016990872_100000210202 [0,1,0,1,0,0|0,0,2]=4 5925 B13R1.464 CCOC(=O)C1CCCCN1CC 269982a_100016990872_100000204670 [0,1,0,1,0,0|0,0,2]=4 5926 B13R1.470 CCOC(=O)CC1CCCCN1C 2230a_100116209990_200000210301 [0,1,0,1,0,0|0,0,2]=4 5927 B13R1.470 CCOC(=O)CC1CCCCN1C 269982a_100116209990_200000210301 [0,1,0,1,0,0|0,0,2]=4 5928 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 2230a_100116209990_200025704644 [0,1,0,1,0,0|0,0,2]=4 5929 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 269982a_100116209990_200025704644 [0,1,0,1,0,0|0,0,2]=4 5930 B13R1.470 CCOC(=O)CN1CCCCC1C 2230a_100000211376_100000188475 [0,1,0,1,0,0|0,0,2]=4 5931 B13R1.470 CCOC(=O)CN1CCCCC1C 269982a_100000211376_100000188475 [0,1,0,1,0,0|0,0,2]=4 5932 B13R1.470 CCOC(=O)CN1CCCCC1C 34a_100000211376_100000188475 [0,1,0,1,0,0|0,0,2]=4 5933 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000188475 [0,1,0,1,0,0|1,0,1]=4 5934 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000188475 [0,1,0,1,0,0|1,0,1]=4 5935 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000188475 [0,1,0,1,0,0|1,0,1]=4 5936 B13R1.567 CCCCc1cc(ccn1)OCC 271570a_100020621405_100011922638 [0,1,0,1,0,0|1,0,1]=4 5937 B13R1.567 CCCCc1cccc(c1)OCC 271570a_100020621405_100000170002 [0,1,0,1,0,0|1,0,1]=4 5938 B13R1.567 CCCCc1cccc(n1)OCC 271570a_100020621405_100000752924 [0,1,0,1,0,0|1,0,1]=4 5939 B13R1.567 CCCCc1ccnc(c1)OCC 271570a_100020621405_100009995528 [0,1,0,1,0,0|1,0,1]=4 5940 B13R1.567 CCCCc1cncc(c1)OCC 271570a_100020621405_100012029586 [0,1,0,1,0,0|1,0,1]=4 5941 B13R1.567 CCCCc1cncc(n1)OCC 271570a_100020621405_100000757043 [0,1,0,1,0,0|1,0,1]=4 5942 B13R1.567 CCCCc1nccc(n1)OCC 271570a_100020621405_100011649779 [0,1,0,1,0,0|1,0,1]=4 5943 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [0,1,0,1,0,0|0,0,2]=4 5944 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [0,1,0,1,0,0|0,0,2]=4 5945 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [0,1,0,1,0,0|0,0,2]=4 5946 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [0,1,0,1,0,0|0,0,2]=4 5947 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [0,1,0,1,0,0|0,0,2]=4 5948 B13R1.654 CCCCOCSC1CCOC1=O 62a_100000211211_100011995733 [0,1,0,1,0,0|1,0,1]=4 5949 B13R1.654 CCCCOCSC1CCOC1=O 62a_100011995733_100000211211 [0,1,0,1,0,0|1,0,1]=4 5950 B13R1.654 CCCOCCNC1CCOC1=O 2230a_100161115042_100000211211 [0,1,0,1,0,0|1,0,1]=4 5951 B13R1.654 CCCOCCNC1CCOC1=O 34a_100161115042_100000211211 [0,1,0,1,0,0|1,0,1]=4 5952 B13R1.654 CCCOCCOC1CCOC1=O 34a_100000752267_100000211211 [0,1,0,1,0,0|1,0,1]=4 5953 B13R1.654 CCCOCCOC1CCOC1=O 7a_100000752267_100000211211 [0,1,0,1,0,0|1,0,1]=4 5954 B13R1.654 CCCOCCSC1CCOC1=O 62a_100000211211_100011215938 [0,1,0,1,0,0|1,0,1]=4 5955 B13R1.654 CCCOCCSC1CCOC1=O 62a_100011215938_100000211211 [0,1,0,1,0,0|1,0,1]=4 5956 B13R1.654 CCCSCCNC1CCOC1=O 2230a_100020603323_100000211211 [0,1,0,1,0,0|1,0,1]=4 5957 B13R1.654 CCCSCCOC1CCOC1=O 34a_200000230433_100000211211 [0,1,0,1,0,0|1,0,1]=4 5958 B13R1.654 CCCSCCOC1CCOC1=O 7a_200000230433_100000211211 [0,1,0,1,0,0|1,0,1]=4 5959 B13R1.654 CCOCCCNC1CCOC1=O 2230a_100000210961_100000211211 [0,1,0,1,0,0|1,0,1]=4 5960 B13R1.654 CCOCCCNC1CCOC1=O 34a_100000210961_100000211211 [0,1,0,1,0,0|1,0,1]=4 5961 B13R1.654 CCOCCCOC1CCOC1=O 34a_100000757476_100000211211 [0,1,0,1,0,0|1,0,1]=4 5962 B13R1.654 CCOCCCOC1CCOC1=O 7a_100000757476_100000211211 [0,1,0,1,0,0|1,0,1]=4 5963 B13R1.654 CCOCCCSC1CCOC1=O 62a_100000211211_100012232248 [0,1,0,1,0,0|1,0,1]=4 5964 B13R1.654 CCOCCCSC1CCOC1=O 62a_100012232248_100000211211 [0,1,0,1,0,0|1,0,1]=4 5965 B13R1.654 CCSCCCOC1CCOC1=O 34a_100011216438_100000211211 [0,1,0,1,0,0|1,0,1]=4 5966 B13R1.654 CCSCCCOC1CCOC1=O 7a_100011216438_100000211211 [0,1,0,1,0,0|1,0,1]=4 5967 B13R1.654 COCCCCOC1CCOC1=O 34a_100000740925_100000211211 [0,1,0,1,0,0|1,0,1]=4 5968 B13R1.654 COCCCCSC1CCOC1=O 62a_100000211211_100000730899 [0,1,0,1,0,0|1,0,1]=4 5969 B13R1.654 COCCCCSC1CCOC1=O 62a_100000730899_100000211211 [0,1,0,1,0,0|1,0,1]=4 5970 B13R1.654 CSCCCCOC1CCOC1=O 34a_100011217163_100000211211 [0,1,0,1,0,0|1,0,1]=4 5971 B13R1.654 CSCCCCOC1CCOC1=O 7a_100011217163_100000211211 [0,1,0,1,0,0|1,0,1]=4 5972 B13R1.654 NCCCCCOC1CCOC1=O 34a_100000762737_100000211211 [0,1,0,1,0,0|1,0,1]=4 5973 B13R1.654 O=C1OCCC1NCCCCCO 2230a_100000762737_100000211211 [0,1,0,1,0,0|1,0,1]=4 5974 B13R1.654 O=C1OCCC1NCCCCCO 34a_100000762737_100000211211 [0,1,0,1,0,0|1,0,1]=4 5975 B13R1.654 O=C1OCCC1OCCCCCBr 34a_100000746331_100000211211 [0,1,0,1,0,0|1,0,1]=4 5976 B13R1.654 O=C1OCCC1OCCCCCBr 7a_100000746331_100000211211 [0,1,0,1,0,0|1,0,1]=4 5977 B13R1.654 O=C1OCCC1OCCCCCCl 34a_100000746330_100000211211 [0,1,0,1,0,0|1,0,1]=4 5978 B13R1.654 O=C1OCCC1OCCCCCCl 7a_100000746330_100000211211 [0,1,0,1,0,0|1,0,1]=4 5979 B13R1.654 O=C1OCCC1OCCCCCI 34a_200012148887_100000211211 [0,1,0,1,0,0|1,0,1]=4 5980 B13R1.654 O=C1OCCC1OCCCCCI 7a_200012148887_100000211211 [0,1,0,1,0,0|1,0,1]=4 5981 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000211211_100000729378 [0,1,0,1,0,0|1,0,1]=4 5982 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000729378_100000211211 [0,1,0,1,0,0|1,0,1]=4 5983 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000211211_100000746330 [0,1,0,1,0,0|1,0,1]=4 5984 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000746330_100000211211 [0,1,0,1,0,0|1,0,1]=4 5985 B13R1.657 CCCCCn1cc(nn1)OCC 274090a_100000210326_100000036479 [0,1,0,1,0,0|2,0,0]=4 5986 B13R1.657 CCCCSc1csc(n1)OCC 62a_100000210211_100011934640 [0,1,0,1,0,0|2,0,0]=4 5987 B13R1.657 CCCCSc1csc(n1)OCC 62a_100011934640_100000210210 [0,1,0,1,0,0|2,0,0]=4 5988 B13R1.1575 CCCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210303 [0,1,0,1,0,0|1,0,0]=3 5989 B13R1.1575 CCNC(=O)C=C1CCCCCC1 11a_100015525214_100011240665 [0,1,0,1,0,0|1,0,0]=3 5990 B13R1.1575 CCNC(=O)C=C1CCCCCC1 240690a_100015525214_100011240665 [0,1,0,1,0,0|1,0,0]=3 5991 B13R1.1575 CCOC(=O)CN1CCCCCC1 2230a_100000185865_100000188475 [0,1,0,1,0,0|0,0,2]=4 5992 B13R1.1575 CCOC(=O)CN1CCCCCC1 269982a_100000185865_100000188475 [0,1,0,1,0,0|0,0,2]=4 5993 B13R1.1575 CCOC(=O)CN1CCCCCC1 34a_100000185865_100000188475 [0,1,0,1,0,0|0,0,2]=4 5994 B13R1.1575 CCOC(=O)CN1CCCOCC1 2230a_100000685342_100000188475 [0,1,0,1,0,0|1,0,1]=4 5995 B13R1.1575 CCOC(=O)CN1CCCOCC1 269982a_100000685342_100000188475 [0,1,0,1,0,0|1,0,1]=4 5996 B13R1.1575 CCOC(=O)CN1CCCOCC1 34a_100000685342_100000188475 [0,1,0,1,0,0|1,0,1]=4 5997 B13R1.1575 CNNC(=O)C=C1CCCCCC1 22a_100016993582_100011240665 [0,1,0,1,0,0|2,0,0]=4 5998 B13R1.1575 O=C(C=C1CCCCCC1)CCF 1458a_100011240665_100011217306 [0,1,0,1,0,0|2,0,0]=4 5999 B13R1.1575 O=C(C=C1CCCCCC1)CCO 1458a_100011240665_100000211926 [0,1,0,1,0,0|2,0,0]=4 6000 B13R1.3151 CCCCCC=NNC(=O)C1CC1 4a_100000183419_100000737632 [0,1,0,1,0,0|2,0,0]=4 6001 B13R1.27 CCCCCC=Cc1nnc(o1)C 271570a_100000062253_100000708914 [0,1,0,1,0,0|1,0,1]=4 6002 B13R1.27 CCCCCC=Cc1noc(n1)C 271570a_100000062253_100012003639 [0,1,0,1,0,0|1,0,1]=4 6003 B13R1.55 CCCCOc1cc(oc(=O)c1)C 34a_100000210952_100000210210 [0,1,0,1,0,0|1,0,1]=4 6004 B13R1.55 CCCCOc1cc(oc(=O)c1)C 7a_100000210952_100000210211 [0,1,0,1,0,0|1,0,1]=4 6005 B13R1.282 CC(C)OC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100011215430 [0,1,0,1,0,0|1,0,1]=4 6006 B13R1.282 CC(C)OC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100011215430 [0,1,0,1,0,0|1,0,1]=4 6007 B13R1.282 CC(C)OC(=O)CN1CCC[C@H]1C 2230a_100015189458_100011215430 [0,1,0,1,0,0|1,0,1]=4 6008 B13R1.282 CC(C)OC(=O)CN1CCC[C@H]1C 269982a_100015189458_100011215430 [0,1,0,1,0,0|1,0,1]=4 6009 B13R1.282 CC(C)OC(=O)CN1CCC[C@H]1C 34a_100015189458_100011215430 [0,1,0,1,0,0|1,0,1]=4 6010 B13R1.348 C=C(C)CC(=O)C=C1CCCCC1 1458a_100000743792_100000748629 [0,1,0,1,0,0|1,0,1]=4 6011 B13R1.348 CC(C)CC(=O)C=C1CCCCC1 1458a_100000743792_100000210624 [0,1,0,1,0,0|1,0,0]=3 6012 B13R1.348 CC(C)CC(=O)C=C1CCOCC1 1458a_100000761426_100000210624 [0,1,0,1,0,0|2,0,0]=4 6013 B13R1.348 CC(C)NC(=O)C=C1CCCCC1 11a_100138425928_100000743792 [0,1,0,1,0,0|1,0,0]=3 6014 B13R1.348 CC(C)NC(=O)C=C1CCCCC1 1626a_100138425928_100000743792 [0,1,0,1,0,0|1,0,0]=3 6015 B13R1.348 CC(C)NC(=O)C=C1CCCCC1 240690a_100138425928_100000743792 [0,1,0,1,0,0|1,0,0]=3 6016 B13R1.348 CC(C)NC(=O)C=C1CCOCC1 11a_100138425928_100000761426 [0,1,0,1,0,0|2,0,0]=4 6017 B13R1.348 CC(C)NC(=O)C=C1CCOCC1 240690a_100138425928_100000761426 [0,1,0,1,0,0|2,0,0]=4 6018 B13R1.348 CC(O)CC(=O)C=C1CCCCC1 1458a_100000743792_100011218427 [0,1,0,1,0,0|1,0,0]=3 6019 B13R1.348 CC(O)CC(=O)C=C1CCOCC1 1458a_100000761426_100011218427 [0,1,0,1,0,0|2,0,0]=4 6020 B13R1.348 O=C(C=C1CCCCC1)CC(F)F 1458a_100000743792_100011934356 [0,1,0,1,0,0|2,0,0]=4 6021 B13R1.593 CC(C)OC(=O)CNC1CCCC1 2230a_100000211070_100011215430 [0,1,0,1,0,0|1,0,1]=4 6022 B13R1.593 CC(C)OC(=O)CNC1CCCC1 34a_100000211070_100011215430 [0,1,0,1,0,0|1,0,1]=4 6023 B13R1.593 CC(C)OC(=O)COC1CCCC1 34a_100000210269_100011215430 [0,1,0,1,0,0|1,0,1]=4 6024 B13R1.593 CC(C)OC(=O)COC1CCCC1 7a_100000210269_100011215430 [0,1,0,1,0,0|1,0,1]=4 6025 B13R1.593 CC(C)OC(=O)CSC1CCCC1 62a_100011215430_100000179811 [0,1,0,1,0,0|1,0,1]=4 6026 B13R1.593 CC(C)OC(=O)CSC1CCCC1 62a_100011217020_100011215430 [0,1,0,1,0,0|1,0,1]=4 6027 B13R1.2027 CC(C)OC(=O)CNCC1CCC1 2230a_100000738700_100011215430 [0,1,0,1,0,0|1,0,1]=4 6028 B13R1.2027 CC(C)OC(=O)CNCC1CCC1 34a_100000738700_100011215430 [0,1,0,1,0,0|1,0,1]=4 6029 B13R1.2027 CC(C)OC(=O)COCC1CCC1 34a_100000760304_100011215430 [0,1,0,1,0,0|1,0,1]=4 6030 B13R1.2027 CC(C)OC(=O)CSCC1CCC1 62a_100000763275_100011215430 [0,1,0,1,0,0|1,0,1]=4 6031 B13R1.2027 CC(C)OC(=O)CSCC1CCC1 62a_100011215430_100000763275 [0,1,0,1,0,0|1,0,1]=4 6032 B13R1.2028 CC(C)OC(=O)CNCCC1CC1 34a_100000764129_100011215430 [0,1,0,1,0,0|1,0,1]=4 6033 B13R1.2028 CC(C)OC(=O)COCCC1CC1 34a_100000754188_100011215430 [0,1,0,1,0,0|1,0,1]=4 6034 B13R1.2028 CC(C)OC(=O)COCCC1CC1 7a_100000754188_100011215430 [0,1,0,1,0,0|1,0,1]=4 6035 B13R1.2028 CC(C)OC(=O)CSCCC1CC1 62a_100000764125_100011215430 [0,1,0,1,0,0|1,0,1]=4 6036 B13R1.2028 CC(C)OC(=O)CSCCC1CC1 62a_100011215430_100000764125 [0,1,0,1,0,0|1,0,1]=4 6037 B13R1.2790 CC(C)OC(=O)COCC1CC1C 34a_100000744939_100011215430 [0,1,0,1,0,0|1,0,1]=4 6038 B13R1.2790 CC(C)OC(=O)COCC1CC1C 7a_100000744939_100011215430 [0,1,0,1,0,0|1,0,1]=4 6039 B13R1.3574 CCCCCC=CC(=O)CC1CC1 1458a_100016263427_100000742324 [0,1,0,1,0,0|1,0,0]=3 6040 B13R1.3574 CCCCCC=CC(=O)CC1CO1 1458a_100016263427_100011216344 [0,1,0,1,0,0|1,0,0]=3 6041 B13R1.3574 CCCCCC=CC(=O)CC1CS1 1458a_100016263427_100000031435 [0,1,0,1,0,0|1,0,0]=3 6042 B13R1.3574 CCCCCC=CC(=O)C[C@@H]1CO1 1458a_100016263427_100000745022 [0,1,0,1,0,0|1,0,0]=3 6043 B13R1.3574 CCCCCC=CC(=O)NC1CC1 1626a_100000212008_100016263427 [0,1,0,1,0,0|1,0,0]=3 6044 B13R1.3574 CCCCCC=CC(=O)NC1CC1 240690a_100000212008_100016263427 [0,1,0,1,0,0|1,0,0]=3 6045 B13R1.135 CCC(C)C(=O)C=C1CCCCC1 1458a_100000743792_100000758301 [0,1,0,1,0,0|1,0,0]=3 6046 B13R1.135 CCC(C)C(=O)C=C1CCOCC1 1458a_100000761426_100000758301 [0,1,0,1,0,0|2,0,0]=4 6047 B13R1.135 CCN(C)C(=O)C=C1CCCCC1 11a_100000225621_100000743792 [0,1,0,1,0,0|1,0,0]=3 6048 B13R1.135 CCN(C)C(=O)C=C1CCCCC1 1626a_100000225621_100000743792 [0,1,0,1,0,0|1,0,0]=3 6049 B13R1.135 CCN(C)C(=O)C=C1CCCCC1 240690a_100000225621_100000743792 [0,1,0,1,0,0|1,0,0]=3 6050 B13R1.135 CCN(C)C(=O)C=C1CCOCC1 11a_100000225621_100000761426 [0,1,0,1,0,0|2,0,0]=4 6051 B13R1.135 CCN(C)C(=O)C=C1CCOCC1 240690a_100000225621_100000761426 [0,1,0,1,0,0|2,0,0]=4 6052 B13R1.575 CCCCc1ccc(=O)n(c1)CC 271570a_100020621405_100000231005 [0,1,0,1,0,0|1,0,1]=4 6053 B13R1.3572 CCCCCC=CC(=O)C1CCC1 1458a_100016263427_100000749161 [0,1,0,1,0,0|1,0,0]=3 6054 B13R1.3572 CCCCCC=CC(=O)C1COC1 1458a_100016263427_100000687716 [0,1,0,1,0,0|1,0,0]=3 6055 B13R1.3572 CCCCCC=CC(=O)N1CCC1 11a_100000754969_100016263427 [0,1,0,1,0,0|1,0,0]=3 6056 B13R1.3572 CCCCCC=CC(=O)N1CCC1 240690a_100000754969_100016263427 [0,1,0,1,0,0|1,0,0]=3 6057 B13R1.3572 CCCCCCCC(=O)C1CCO1 1458a_100000089072_100000210614 [0,1,0,1,0,0|0,0,2]=4 6058 B13R1.3572 CCCCCCNC(=O)C1CCO1 11a_100000210581_100000089072 [0,1,0,1,0,0|1,0,1]=4 6059 B13R1.3572 CCCCCCNC(=O)C1CCO1 1626a_100000210581_100000089072 [0,1,0,1,0,0|1,0,1]=4 6060 B13R1.3572 CCCCCCNC(=O)C1CCO1 240690a_100000210581_100000089072 [0,1,0,1,0,0|1,0,1]=4 6061 B13R1.3572 CCCCCCNC(=O)C1CCO1 527a_100000210581_100000089072 [0,1,0,1,0,0|1,0,1]=4 6062 B13R1.3572 CCCCCNNC(=O)C1CCO1 22a_100000694160_100000089072 [0,1,0,1,0,0|2,0,0]=4 6063 B13R1.18 CCCCC(C)N1CCOC(=O)C1 2230a_100000131268_200011215066 [0,1,0,1,0,0|1,0,1]=4 6064 B13R1.18 CCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000210087 [0,1,0,1,0,0|1,0,1]=4 6065 B13R1.41 CCOC(=O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000188475 [0,1,0,1,0,0|1,0,1]=4 6066 B13R1.41 CCOC(=O)COC1CCC(C1)C 34a_100000698185_100000188475 [0,1,0,1,0,0|1,0,1]=4 6067 B13R1.77 CCCCc1ccc(cc1)OCC 271570a_100020621405_100000169946 [0,1,0,1,0,0|1,0,1]=4 6068 B13R1.77 CCCCc1ccc(cc1)OCC 34a_100011216022_100000210202 [0,1,0,1,0,0|1,0,1]=4 6069 B13R1.77 CCCCc1ccc(cc1)OCC 7a_100011216022_100000210202 [0,1,0,1,0,0|1,0,1]=4 6070 B13R1.77 CCCCc1ccc(cn1)OCC 271570a_100020621405_100000753957 [0,1,0,1,0,0|1,0,1]=4 6071 B13R1.77 CCCCc1ccc(nc1)OCC 271570a_100020621405_100011219444 [0,1,0,1,0,0|1,0,1]=4 6072 B13R1.77 CCCCc1ccc(nn1)OCC 271570a_100020621405_100000757289 [0,1,0,1,0,0|1,0,1]=4 6073 B13R1.153 CCCOC(=O)CNC1CCCC1 2230a_100000211070_200011215008 [0,1,0,1,0,0|1,0,1]=4 6074 B13R1.153 CCCOC(=O)CNC1CCCC1 34a_100000211070_200011215008 [0,1,0,1,0,0|1,0,1]=4 6075 B13R1.153 CCCOC(=O)COC1CCCC1 34a_100000210269_200011215008 [0,1,0,1,0,0|1,0,1]=4 6076 B13R1.153 CCCOC(=O)COC1CCCC1 7a_100000210269_200011215008 [0,1,0,1,0,0|1,0,1]=4 6077 B13R1.153 CCCOC(=O)CSC1CCCC1 62a_100011217020_200011215008 [0,1,0,1,0,0|1,0,1]=4 6078 B13R1.153 CCCOC(=O)CSC1CCCC1 62a_200011215008_100000179811 [0,1,0,1,0,0|1,0,1]=4 6079 B13R1.153 CCOCC(=O)CCC1CCCC1 1458a_100000211967_100000760354 [0,1,0,1,0,0|0,0,2]=4 6080 B13R1.153 CCOCC(=O)NCC1CCCC1 11a_100000737975_100000211967 [0,1,0,1,0,0|1,0,1]=4 6081 B13R1.153 CCOCC(=O)NCC1CCCC1 1626a_100000737975_100000211967 [0,1,0,1,0,0|1,0,1]=4 6082 B13R1.153 CCOCC(=O)NCC1CCCC1 240690a_100000737975_100000211967 [0,1,0,1,0,0|1,0,1]=4 6083 B13R1.153 CCOCC(=O)NCC1CCCC1 527a_100000737975_100000211967 [0,1,0,1,0,0|1,0,1]=4 6084 B13R1.153 CCOCC(=O)NNC1CCCC1 22a_100000737850_100000211967 [0,1,0,1,0,0|2,0,0]=4 6085 B13R1.686 CCCCC(C)NC1CCOC1=O 2230a_100000126638_100000211211 [0,1,0,1,0,0|1,0,1]=4 6086 B13R1.686 CCCCC(C)OC1CCOC1=O 34a_100000687866_100000211211 [0,1,0,1,0,0|1,0,1]=4 6087 B13R1.686 CCCCC(C)OC1CCOC1=O 7a_100000687866_100000211211 [0,1,0,1,0,0|1,0,1]=4 6088 B13R1.686 CCCCC(C)SC1CCOC1=O 62a_100000211211_200011215066 [0,1,0,1,0,0|1,0,1]=4 6089 B13R1.686 CCCCC(C)SC1CCOC1=O 62a_200011215066_100000211211 [0,1,0,1,0,0|1,0,1]=4 6090 B13R1.686 CCCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_200011215008 [0,1,0,1,0,0|1,0,1]=4 6091 B13R1.686 CCCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_200011215008 [0,1,0,1,0,0|1,0,1]=4 6092 B13R1.686 CCCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_200011215008 [0,1,0,1,0,0|1,0,1]=4 6093 B13R1.686 CCCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_200011215008 [0,1,0,1,0,0|1,0,1]=4 6094 B13R1.686 CCCOC(=O)CN1CCC[C@H]1C 34a_100015189458_200011215008 [0,1,0,1,0,0|1,0,1]=4 6095 B13R1.1483 CCOC(=O)COC1(CCCC1)C 34a_100000751722_100000188475 [0,1,0,1,0,0|1,0,1]=4 6096 B13R1.1483 CCOC(=O)COC1(CCCC1)C 7a_100000751722_100000188475 [0,1,0,1,0,0|1,0,1]=4 6097 B13R1.2565 CCOC(=O)CN1C(CCC1C)C 2230a_100000687148_100000188475 [0,1,0,1,0,0|1,0,1]=4 6098 B13R1.2565 CCOC(=O)CN1C(CCC1C)C 269982a_100000687148_100000188475 [0,1,0,1,0,0|1,0,1]=4 6099 B13R1.2565 CCOC(=O)CN1C(CCC1C)C 34a_100000687148_100000188475 [0,1,0,1,0,0|1,0,1]=4 6100 B13R1.3130 CCOC(=O)C=CC(=O)C1CCC1 1458a_100000210415_100000749161 [0,1,0,1,0,0|0,0,1]=3 6101 B13R1.3130 CCOC(=O)C=CC(=O)C1COC1 1458a_100000210415_100000687716 [0,1,0,1,0,0|1,0,1]=4 6102 B13R1.3130 CCOC(=O)C=CC(=O)N1CCC1 240690a_100000754969_100000210415 [0,1,0,1,0,0|1,0,1]=4 6103 B13R1.3130 CCOC(=O)CNC(C)C1CCC1 2230a_100016994624_100000188475 [0,1,0,1,0,0|1,0,1]=4 6104 B13R1.3130 CCOC(=O)CNC(C)C1CCC1 34a_100016994624_100000188475 [0,1,0,1,0,0|1,0,1]=4 6105 B13R1.3130 CCOC(=O)COC(C)C1CCC1 34a_100000766398_100000188475 [0,1,0,1,0,0|1,0,1]=4 6106 B13R1.3130 CCOC(=O)COC(C)C1CCC1 7a_100000766398_100000188475 [0,1,0,1,0,0|1,0,1]=4 6107 B13R1.3132 CCOC(=O)C=CC(=O)CC1CC1 1458a_100000210415_100000742324 [0,1,0,1,0,0|0,0,1]=3 6108 B13R1.3132 CCOC(=O)C=CC(=O)CC1CO1 1458a_100000210415_100011216344 [0,1,0,1,0,0|1,0,1]=4 6109 B13R1.3132 CCOC(=O)C=CC(=O)CC1CS1 1458a_100000210415_100000031435 [0,1,0,1,0,0|1,0,1]=4 6110 B13R1.3132 CCOC(=O)C=CC(=O)C[C@@H]1CO1 1458a_100000210415_100000745022 [0,1,0,1,0,0|1,0,1]=4 6111 B13R1.3132 CCOC(=O)C=CC(=O)NC1CC1 1626a_100000212008_100000210415 [0,1,0,1,0,0|1,0,1]=4 6112 B13R1.3132 CCOC(=O)C=CC(=O)NC1CC1 240690a_100000212008_100000210415 [0,1,0,1,0,0|1,0,1]=4 6113 B13R1.47 CCCC(=O)C(=O)N1CCCCC1 1458a_200011297168_100000210303 [0,1,0,1,0,0|2,0,0]=4 6114 B13R1.47 CCNC(=O)C(=O)C1CCCCC1 1458a_200011297158_100000210327 [0,1,0,1,0,0|1,0,1]=4 6115 B13R1.47 CCNC(=O)C(=O)N1CCCCC1 240690a_100015525214_200011297168 [0,1,0,1,0,0|2,0,0]=4 6116 B13R1.47 CCNC(=O)C(=O)N1CCCCC1 527a_100015525214_200011297168 [0,1,0,1,0,0|2,0,0]=4 6117 B13R1.47 CCOC(=O)C(=O)N1CCCOC1 11a_100000131196_100014798877 [0,1,0,1,0,0|2,0,0]=4 6118 B13R1.47 CCOC(=O)C(=O)N1CCCOC1 240690a_100000131196_100014798877 [0,1,0,1,0,0|2,0,0]=4 6119 B13R1.47 CCOC(=O)C(=O)N1CCOCC1 11a_100015191051_100014798877 [0,1,0,1,0,0|2,0,0]=4 6120 B13R1.47 CCOC(=O)C(=O)N1CCOCC1 1626a_100015191051_100014798877 [0,1,0,1,0,0|2,0,0]=4 6121 B13R1.47 CCOC(=O)C(=O)N1CCOCC1 240690a_100015191051_100014798877 [0,1,0,1,0,0|2,0,0]=4 6122 B13R1.47 CCOC(=O)C(=O)N1CCSCC1 11a_100000737611_100014798877 [0,1,0,1,0,0|2,0,0]=4 6123 B13R1.47 CCOC(=O)C(=O)N1CCSCC1 240690a_100000737611_100014798877 [0,1,0,1,0,0|2,0,0]=4 6124 B13R1.66 C=C(CN1CCCC1)C(=O)OCC 269982a_100000188435_100000755967 [0,1,0,1,0,0|1,0,1]=4 6125 B13R1.66 CCNC(=O)C(=O)CC1CCCC1 1458a_200011297158_100000740388 [0,1,0,1,0,0|1,0,1]=4 6126 B13R1.66 CCNC(=O)C(=O)NC1CCCC1 1626a_100000211070_200011297158 [0,1,0,1,0,0|2,0,0]=4 6127 B13R1.66 CCNC(=O)C(=O)NC1CCCC1 240690a_100000211070_200011297158 [0,1,0,1,0,0|2,0,0]=4 6128 B13R1.66 CCNC(=O)C(=O)NC1CCCC1 527a_100000211070_200011297158 [0,1,0,1,0,0|2,0,0]=4 6129 B13R1.66 CCOC(=O)C(=O)CN1CCCC1 269982a_100000188435_100000211299 [0,1,0,1,0,0|1,0,1]=4 6130 B13R1.66 CCOC(=O)C(=O)NC1CCCC1 11a_100000211070_100014798877 [0,1,0,1,0,0|1,0,0]=3 6131 B13R1.66 CCOC(=O)C(=O)NC1CCCC1 1626a_100000211070_100014798877 [0,1,0,1,0,0|1,0,0]=3 6132 B13R1.66 CCOC(=O)C(=O)NC1CCCC1 240690a_100000211070_100014798877 [0,1,0,1,0,0|1,0,0]=3 6133 B13R1.66 CCOC(=O)C(=O)N[C@@H]1CCOC1 240690a_200015188469_100014798877 [0,1,0,1,0,0|2,0,0]=4 6134 B13R1.66 CCOC(=O)C(=O)N[C@H]1CCOC1 11a_100015188467_100014798877 [0,1,0,1,0,0|2,0,0]=4 6135 B13R1.66 CCOC(=O)C(=O)N[C@H]1CCOC1 1626a_100015188467_100014798877 [0,1,0,1,0,0|2,0,0]=4 6136 B13R1.66 CCOC(=O)C(=O)N[C@H]1CCOC1 240690a_100015188467_100014798877 [0,1,0,1,0,0|2,0,0]=4 6137 B13R1.66 CCOC(=O)C(C)NC1CCCC1 2230a_100000211070_100011215307 [0,1,0,1,0,0|1,0,1]=4 6138 B13R1.66 CCOC(=O)C(C)NC1CCCC1 34a_100000211070_100011216346 [0,1,0,1,0,0|1,0,1]=4 6139 B13R1.66 CCOC(=O)C(C)OC1CCCC1 34a_100000210269_100011216346 [0,1,0,1,0,0|1,0,1]=4 6140 B13R1.66 CCOC(=O)C(C)OC1CCCC1 7a_100000210269_100011216346 [0,1,0,1,0,0|1,0,1]=4 6141 B13R1.66 CCOC(=O)C(C)SC1CCCC1 62a_100011216346_100000179811 [0,1,0,1,0,0|1,0,1]=4 6142 B13R1.66 CCOC(=O)C(C)SC1CCCC1 62a_100011217020_100011216346 [0,1,0,1,0,0|1,0,1]=4 6143 B13R1.66 CCOC(=O)C(F)NC1CCCC1 2230a_100000211070_100000760018 [0,1,0,1,0,0|1,0,1]=4 6144 B13R1.66 CCOC(=O)C(F)NC1CCCC1 34a_100000211070_100000760018 [0,1,0,1,0,0|1,0,1]=4 6145 B13R1.66 CCOC(=O)C(F)OC1CCCC1 34a_100000210269_100000760018 [0,1,0,1,0,0|1,0,1]=4 6146 B13R1.66 CCOC(=O)C(F)OC1CCCC1 7a_100000210269_100000040065 [0,1,0,1,0,0|1,0,1]=4 6147 B13R1.66 CCOC(=O)C(F)SC1CCCC1 62a_100000760018_100000179811 [0,1,0,1,0,0|1,0,1]=4 6148 B13R1.66 CCOC(=O)C(F)SC1CCCC1 62a_100011217020_100000760018 [0,1,0,1,0,0|1,0,1]=4 6149 B13R1.66 CCOC(=O)[C@H](C)OC1CCCC1 7a_100000751109_100000179811 [0,1,0,1,0,0|1,0,1]=4 6150 B13R1.2909 CCNC(=O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_200011297158 [0,1,0,1,0,0|2,0,0]=4 6151 B13R1.2909 CCNC(=O)C(=O)N1CCC[C@@H]1C 527a_100020605311_200011297158 [0,1,0,1,0,0|2,0,0]=4 6152 B13R1.2909 CCNC(=O)C(=O)N1CCC[C@H]1C 240690a_100015189458_200011297158 [0,1,0,1,0,0|2,0,0]=4 6153 B13R1.2909 CCNC(=O)C(=O)N1CCC[C@H]1C 527a_100015189458_200011297158 [0,1,0,1,0,0|2,0,0]=4 6154 B13R1.2909 CCOC(=O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100014798877 [0,1,0,1,0,0|1,0,0]=3 6155 B13R1.2909 CCOC(=O)C(=O)N1CCC[C@H]1C 11a_100015189458_100014798877 [0,1,0,1,0,0|1,0,0]=3 6156 B13R1.2909 CCOC(=O)C(=O)N1CCC[C@H]1C 240690a_100015189458_100014798877 [0,1,0,1,0,0|1,0,0]=3 6157 B13R1.2909 CCOC(=O)C(=O)N1CCSC1C 11a_200011216479_100014798877 [0,1,0,1,0,0|2,0,0]=4 6158 B13R1.2909 CCOC(=O)C(=O)N1CCSC1C 1626a_200011216479_100014798877 [0,1,0,1,0,0|2,0,0]=4 6159 B13R1.2909 CCOC(=O)C(=O)N1CCSC1C 240690a_200011216479_100014798877 [0,1,0,1,0,0|2,0,0]=4 6160 B13R1.2909 CCOC(=O)C(C)N1CCC[C@@H]1C 2230a_100020605311_100011215307 [0,1,0,1,0,0|1,0,1]=4 6161 B13R1.2909 CCOC(=O)C(C)N1CCC[C@@H]1C 269982a_100020605311_100011216346 [0,1,0,1,0,0|1,0,1]=4 6162 B13R1.2909 CCOC(=O)C(C)N1CCC[C@H]1C 2230a_100015189458_100011215307 [0,1,0,1,0,0|1,0,1]=4 6163 B13R1.2909 CCOC(=O)C(C)N1CCC[C@H]1C 269982a_100015189458_100011216346 [0,1,0,1,0,0|1,0,1]=4 6164 B13R1.2909 CCOC(=O)C(C)N1CCC[C@H]1C 34a_100015189458_100011216346 [0,1,0,1,0,0|1,0,1]=4 6165 B13R1.2909 CCOC(=O)C(F)N1CCC[C@@H]1C 2230a_100020605311_100000760018 [0,1,0,1,0,0|1,0,1]=4 6166 B13R1.2909 CCOC(=O)C(F)N1CCC[C@@H]1C 269982a_100020605311_100000760018 [0,1,0,1,0,0|1,0,1]=4 6167 B13R1.2909 CCOC(=O)C(F)N1CCC[C@H]1C 2230a_100015189458_100000760018 [0,1,0,1,0,0|1,0,1]=4 6168 B13R1.2909 CCOC(=O)C(F)N1CCC[C@H]1C 269982a_100015189458_100000760018 [0,1,0,1,0,0|1,0,1]=4 6169 B13R1.2909 CCOC(=O)C(F)N1CCC[C@H]1C 34a_100015189458_100000760018 [0,1,0,1,0,0|1,0,1]=4 6170 B13R1.2965 CCOC(=O)C(C)OCC1CC1C 34a_100000744939_100011216346 [0,1,0,1,0,0|1,0,1]=4 6171 B13R1.2965 CCOC(=O)C(C)OCC1CC1C 7a_100000744939_100011216346 [0,1,0,1,0,0|1,0,1]=4 6172 B13R1.2965 CCOC(=O)C(F)OCC1CC1C 34a_100000744939_100000760018 [0,1,0,1,0,0|1,0,1]=4 6173 B13R1.2965 CCOC(=O)C(F)OCC1CC1C 7a_100000744939_100000040065 [0,1,0,1,0,0|1,0,1]=4 6174 B13R1.2966 C=C(CNC1CCC1)C(=O)OCC 34a_100000749019_100000755967 [0,1,0,1,0,0|1,0,1]=4 6175 B13R1.2966 C=C(COC1CCC1)C(=O)OCC 34a_100000748187_100000755967 [0,1,0,1,0,0|1,0,1]=4 6176 B13R1.2966 C=C(CSC1CCC1)C(=O)OCC 62a_100000755967_100000749161 [0,1,0,1,0,0|1,0,1]=4 6177 B13R1.2966 CCNC(=O)C(=O)NCC1CCC1 1626a_100000738700_200011297158 [0,1,0,1,0,0|2,0,0]=4 6178 B13R1.2966 CCNC(=O)C(=O)NCC1CCC1 240690a_100000738700_200011297158 [0,1,0,1,0,0|2,0,0]=4 6179 B13R1.2966 CCNC(=O)C(=O)NCC1CCC1 527a_100000738700_200011297158 [0,1,0,1,0,0|2,0,0]=4 6180 B13R1.2966 CCOC(=O)C(=NNC1CCC1)C 4a_100000736358_100000209952 [0,1,0,1,0,0|2,0,0]=4 6181 B13R1.2966 CCOC(=O)C(=O)CSC1CCC1 62a_100000211299_100000749161 [0,1,0,1,0,0|1,0,1]=4 6182 B13R1.2966 CCOC(=O)C(=O)NCC1CCC1 11a_100000738700_100014798877 [0,1,0,1,0,0|1,0,0]=3 6183 B13R1.2966 CCOC(=O)C(=O)NCC1CCC1 1626a_100000738700_100014798877 [0,1,0,1,0,0|1,0,0]=3 6184 B13R1.2966 CCOC(=O)C(=O)NCC1CCC1 240690a_100000738700_100014798877 [0,1,0,1,0,0|1,0,0]=3 6185 B13R1.2966 CCOC(=O)C(=O)NCC1COC1 11a_100015281925_100014798877 [0,1,0,1,0,0|2,0,0]=4 6186 B13R1.2966 CCOC(=O)C(=O)NCC1COC1 1626a_100015281925_100014798877 [0,1,0,1,0,0|2,0,0]=4 6187 B13R1.2966 CCOC(=O)C(=O)NCC1COC1 240690a_100015281925_100014798877 [0,1,0,1,0,0|2,0,0]=4 6188 B13R1.2966 CCOC(=O)C(=O)NC[C@@H]1CCO1 11a_100020831831_100014798877 [0,1,0,1,0,0|2,0,0]=4 6189 B13R1.2966 CCOC(=O)C(=O)NC[C@@H]1CCO1 1626a_100020831831_100014798877 [0,1,0,1,0,0|2,0,0]=4 6190 B13R1.2966 CCOC(=O)C(=O)NC[C@@H]1CCO1 240690a_100020831831_100014798877 [0,1,0,1,0,0|2,0,0]=4 6191 B13R1.2966 CCOC(=O)C(C)NCC1CCC1 2230a_100000738700_100011215307 [0,1,0,1,0,0|1,0,1]=4 6192 B13R1.2966 CCOC(=O)C(C)NCC1CCC1 34a_100000738700_100011216346 [0,1,0,1,0,0|1,0,1]=4 6193 B13R1.2966 CCOC(=O)C(C)OCC1CCC1 34a_100000760304_100011216346 [0,1,0,1,0,0|1,0,1]=4 6194 B13R1.2966 CCOC(=O)C(C)SCC1CCC1 62a_100000763275_100011216346 [0,1,0,1,0,0|1,0,1]=4 6195 B13R1.2966 CCOC(=O)C(C)SCC1CCC1 62a_100011216346_100000763275 [0,1,0,1,0,0|1,0,1]=4 6196 B13R1.2966 CCOC(=O)C(F)NCC1CCC1 2230a_100000738700_100000760018 [0,1,0,1,0,0|1,0,1]=4 6197 B13R1.2966 CCOC(=O)C(F)NCC1CCC1 34a_100000738700_100000760018 [0,1,0,1,0,0|1,0,1]=4 6198 B13R1.2966 CCOC(=O)C(F)OCC1CCC1 34a_100000760304_100000760018 [0,1,0,1,0,0|1,0,1]=4 6199 B13R1.2966 CCOC(=O)C(F)SCC1CCC1 62a_100000760018_100000763275 [0,1,0,1,0,0|1,0,1]=4 6200 B13R1.2966 CCOC(=O)C(F)SCC1CCC1 62a_100000763275_100000760018 [0,1,0,1,0,0|1,0,1]=4 6201 B13R1.2966 CCOC(=O)[C@H](C)OCC1CCC1 7a_100000751109_100000763275 [0,1,0,1,0,0|1,0,1]=4 6202 B13R1.2967 C=C(CNCC1CC1)C(=O)OCC 34a_100000735609_100000755967 [0,1,0,1,0,0|1,0,1]=4 6203 B13R1.2967 C=C(COCC1CC1)C(=O)OCC 34a_100000211283_100000755967 [0,1,0,1,0,0|1,0,1]=4 6204 B13R1.2967 C=C(CSCC1CC1)C(=O)OCC 62a_100000755967_100000742324 [0,1,0,1,0,0|1,0,1]=4 6205 B13R1.2967 C=C(CSCC1CC1)C(=O)OCC 62a_100000756562_100000755967 [0,1,0,1,0,0|1,0,1]=4 6206 B13R1.2967 CCNC(=O)C(=O)NCCC1CC1 1626a_100000764129_200011297158 [0,1,0,1,0,0|2,0,0]=4 6207 B13R1.2967 CCNC(=O)C(=O)NCCC1CC1 240690a_100000764129_200011297158 [0,1,0,1,0,0|2,0,0]=4 6208 B13R1.2967 CCNC(=O)C(=O)NCCC1CC1 527a_100000764129_200011297158 [0,1,0,1,0,0|2,0,0]=4 6209 B13R1.2967 CCOC(=O)C(=NNCC1CC1)C 4a_100000736359_100000209952 [0,1,0,1,0,0|2,0,0]=4 6210 B13R1.2967 CCOC(=O)C(=O)CSCC1CC1 62a_100000211299_100000742324 [0,1,0,1,0,0|1,0,1]=4 6211 B13R1.2967 CCOC(=O)C(=O)CSCC1CC1 62a_100000756562_100000211299 [0,1,0,1,0,0|1,0,1]=4 6212 B13R1.2967 CCOC(=O)C(=O)NCCC1CC1 1626a_100000764129_100014798877 [0,1,0,1,0,0|1,0,0]=3 6213 B13R1.2967 CCOC(=O)C(=O)NCCC1CC1 240690a_100000764129_100014798877 [0,1,0,1,0,0|1,0,0]=3 6214 B13R1.2967 CCOC(=O)C(C)NCCC1CC1 34a_100000764129_100011216346 [0,1,0,1,0,0|1,0,1]=4 6215 B13R1.2967 CCOC(=O)C(C)OCCC1CC1 34a_100000754188_100011216346 [0,1,0,1,0,0|1,0,1]=4 6216 B13R1.2967 CCOC(=O)C(C)OCCC1CC1 7a_100000754188_100011216346 [0,1,0,1,0,0|1,0,1]=4 6217 B13R1.2967 CCOC(=O)C(C)SCCC1CC1 62a_100000764125_100011216346 [0,1,0,1,0,0|1,0,1]=4 6218 B13R1.2967 CCOC(=O)C(C)SCCC1CC1 62a_100011216346_100000764125 [0,1,0,1,0,0|1,0,1]=4 6219 B13R1.2967 CCOC(=O)C(F)NCCC1CC1 34a_100000764129_100000760018 [0,1,0,1,0,0|1,0,1]=4 6220 B13R1.2967 CCOC(=O)C(F)OCCC1CC1 34a_100000754188_100000760018 [0,1,0,1,0,0|1,0,1]=4 6221 B13R1.2967 CCOC(=O)C(F)OCCC1CC1 7a_100000754188_100000040065 [0,1,0,1,0,0|1,0,1]=4 6222 B13R1.2967 CCOC(=O)C(F)SCCC1CC1 62a_100000760018_100000764125 [0,1,0,1,0,0|1,0,1]=4 6223 B13R1.2967 CCOC(=O)C(F)SCCC1CC1 62a_100000764125_100000760018 [0,1,0,1,0,0|1,0,1]=4 6224 B13R1.2967 CCOC(=O)[C@H](C)OCCC1CC1 7a_100000751109_100000764125 [0,1,0,1,0,0|1,0,1]=4 6225 B13R1.2968 C=C(CN1CCC1C)C(=O)OCC 269982a_100000755817_100000755967 [0,1,0,1,0,0|1,0,1]=4 6226 B13R1.2968 C=C(CN1CCC1C)C(=O)OCC 34a_100000755817_100000755967 [0,1,0,1,0,0|1,0,1]=4 6227 B13R1.2968 CCOC(=O)C(=O)CN1CCC1C 269982a_100000755817_100000211299 [0,1,0,1,0,0|1,0,1]=4 6228 B13R1.44 C#CCCC(=O)C=C1CCCCC1 1458a_100000743792_100000753159 [0,1,0,1,0,0|1,0,1]=4 6229 B13R1.44 C#CCNC(=O)C=C1CCCCC1 11a_100000212058_100000743792 [0,1,0,1,0,0|1,0,1]=4 6230 B13R1.44 C#CCNC(=O)C=C1CCCCC1 1626a_100000212058_100000743792 [0,1,0,1,0,0|1,0,1]=4 6231 B13R1.44 C#CCNC(=O)C=C1CCCCC1 240690a_100000212058_100000743792 [0,1,0,1,0,0|1,0,1]=4 6232 B13R1.44 C/C=C/CC(=O)C=C1CCCCC1 1458a_100000743792_100102629194 [0,1,0,1,0,0|1,0,1]=4 6233 B13R1.44 C=CCCC(=O)C=C1CCCCC1 1458a_100000743792_100000754431 [0,1,0,1,0,0|1,0,1]=4 6234 B13R1.44 C=CCNC(=O)C=C1CCCCC1 1626a_100020586998_100000743792 [0,1,0,1,0,0|1,0,1]=4 6235 B13R1.44 C=CCNC(=O)C=C1CCCCC1 240690a_100020586998_100000743792 [0,1,0,1,0,0|1,0,1]=4 6236 B13R1.44 CC#CCC(=O)C=C1CCCCC1 1458a_100000743792_100000748600 [0,1,0,1,0,0|1,0,1]=4 6237 B13R1.44 CC=CCC(=O)C=C1CCCCC1 1458a_100000743792_100000070051 [0,1,0,1,0,0|1,0,1]=4 6238 B13R1.44 CCCCC(=O)C=C1CCCCC1 1458a_100000743792_100000210211 [0,1,0,1,0,0|1,0,0]=3 6239 B13R1.44 CCCCC(=O)C=C1CCOCC1 1458a_100000761426_100000210211 [0,1,0,1,0,0|2,0,0]=4 6240 B13R1.44 CCCNC(=O)C=C1CCCCC1 11a_100020643023_100000743792 [0,1,0,1,0,0|1,0,0]=3 6241 B13R1.44 CCCNC(=O)C=C1CCCCC1 1626a_100020643023_100000743792 [0,1,0,1,0,0|1,0,0]=3 6242 B13R1.44 CCCNC(=O)C=C1CCCCC1 240690a_100020643023_100000743792 [0,1,0,1,0,0|1,0,0]=3 6243 B13R1.44 CCCNC(=O)C=C1CCOCC1 11a_100020643023_100000761426 [0,1,0,1,0,0|2,0,0]=4 6244 B13R1.44 CCCNC(=O)C=C1CCOCC1 240690a_100020643023_100000761426 [0,1,0,1,0,0|2,0,0]=4 6245 B13R1.44 CCNNC(=O)C=C1CCCCC1 22a_100000756455_100000743792 [0,1,0,1,0,0|1,0,0]=3 6246 B13R1.44 CCNNC(=O)C=C1CCOCC1 22a_100000756455_100000761426 [0,1,0,1,0,0|2,0,0]=4 6247 B13R1.44 CCOCC(=O)CC1CCCCC1 1458a_100000211967_100000211423 [0,1,0,1,0,0|0,0,2]=4 6248 B13R1.44 CCOCC(=O)NC1CCCCC1 11a_100000182618_100000211967 [0,1,0,1,0,0|1,0,1]=4 6249 B13R1.44 CCOCC(=O)NC1CCCCC1 1626a_100000182618_100000211967 [0,1,0,1,0,0|1,0,1]=4 6250 B13R1.44 CCOCC(=O)NC1CCCCC1 240690a_100000182618_100000211967 [0,1,0,1,0,0|1,0,1]=4 6251 B13R1.44 CCOCC(=O)NC1CCCCC1 34a_100121572206_100000183541 [0,1,0,1,0,0|1,0,1]=4 6252 B13R1.44 CCOCC(=O)NC1CCCCC1 527a_100000182618_100000211967 [0,1,0,1,0,0|1,0,1]=4 6253 B13R1.44 CCOCC(=O)OC1CCCCC1 34a_100121572206_100000041653 [0,1,0,1,0,0|1,0,1]=4 6254 B13R1.44 COCCC(=O)C=C1CCCCC1 1458a_100000743792_100000233755 [0,1,0,1,0,0|1,0,0]=3 6255 B13R1.44 COCCC(=O)C=C1CCOCC1 1458a_100000761426_100000233755 [0,1,0,1,0,0|2,0,0]=4 6256 B13R1.44 CSCCC(=O)C=C1CCCCC1 1458a_100000743792_100000751147 [0,1,0,1,0,0|1,0,0]=3 6257 B13R1.44 CSCCC(=O)C=C1CCOCC1 1458a_100000761426_100000751147 [0,1,0,1,0,0|2,0,0]=4 6258 B13R1.44 N#CCCC(=O)C=C1CCCCC1 1458a_100000743792_100011215226 [0,1,0,1,0,0|1,0,1]=4 6259 B13R1.44 N#CCNC(=O)C=C1CCCCC1 1626a_100000734998_100000743792 [0,1,0,1,0,0|1,0,1]=4 6260 B13R1.44 O=C(C=C1CCCCC1)CCCF 1458a_100000743792_100011934791 [0,1,0,1,0,0|1,0,0]=3 6261 B13R1.44 O=C(C=C1CCCCC1)CCCO 1458a_100000743792_100011215043 [0,1,0,1,0,0|1,0,0]=3 6262 B13R1.44 O=C(C=C1CCCCC1)NCCF 11a_100000724931_100000743792 [0,1,0,1,0,0|1,0,0]=3 6263 B13R1.44 O=C(C=C1CCCCC1)NCCF 1626a_100000724931_100000743792 [0,1,0,1,0,0|1,0,0]=3 6264 B13R1.44 O=C(C=C1CCCCC1)NCCF 240690a_100000724931_100000743792 [0,1,0,1,0,0|1,0,0]=3 6265 B13R1.44 O=C(C=C1CCCCC1)NCCO 240690a_100000210304_100000743792 [0,1,0,1,0,0|1,0,0]=3 6266 B13R1.44 O=C(C=C1CCOCC1)CCCF 1458a_100000761426_100011934791 [0,1,0,1,0,0|2,0,0]=4 6267 B13R1.44 O=C(C=C1CCOCC1)CCCO 1458a_100000761426_100011215043 [0,1,0,1,0,0|2,0,0]=4 6268 B13R1.44 O=C(C=C1CCOCC1)NCCF 11a_100000724931_100000761426 [0,1,0,1,0,0|2,0,0]=4 6269 B13R1.44 O=C(C=C1CCOCC1)NCCF 240690a_100000724931_100000761426 [0,1,0,1,0,0|2,0,0]=4 6270 B13R1.44 O=C(C=C1CCOCC1)NCCO 240690a_100000210304_100000761426 [0,1,0,1,0,0|2,0,0]=4 6271 B13R1.674 CCOCC(=O)N1CCCCC1C 11a_100000211376_100000211967 [0,1,0,1,0,0|1,0,1]=4 6272 B13R1.674 CCOCC(=O)N1CCCCC1C 1626a_100000211376_100000211967 [0,1,0,1,0,0|1,0,1]=4 6273 B13R1.674 CCOCC(=O)N1CCCCC1C 240690a_100000211376_100000211967 [0,1,0,1,0,0|1,0,1]=4 6274 B13R1.674 CCOCC(=O)N1CCCCC1C 34a_100121572206_100000182743 [0,1,0,1,0,0|1,0,1]=4 6275 B13R1.674 CCOCC(=O)N1CCCCC1C 527a_100000211376_100000211967 [0,1,0,1,0,0|1,0,1]=4 6276 B13R1.676 CCCOC(=O)CNCCC1CC1 34a_100000764129_200011215008 [0,1,0,1,0,0|1,0,1]=4 6277 B13R1.676 CCCOC(=O)COCCC1CC1 34a_100000754188_200011215008 [0,1,0,1,0,0|1,0,1]=4 6278 B13R1.676 CCCOC(=O)COCCC1CC1 7a_100000754188_200011215008 [0,1,0,1,0,0|1,0,1]=4 6279 B13R1.676 CCCOC(=O)CSCCC1CC1 62a_100000764125_200011215008 [0,1,0,1,0,0|1,0,1]=4 6280 B13R1.676 CCCOC(=O)CSCCC1CC1 62a_200011215008_100000764125 [0,1,0,1,0,0|1,0,1]=4 6281 B13R1.683 CCCOC(=O)CNCC1CCC1 2230a_100000738700_200011215008 [0,1,0,1,0,0|1,0,1]=4 6282 B13R1.683 CCCOC(=O)CNCC1CCC1 34a_100000738700_200011215008 [0,1,0,1,0,0|1,0,1]=4 6283 B13R1.683 CCCOC(=O)COCC1CCC1 34a_100000760304_200011215008 [0,1,0,1,0,0|1,0,1]=4 6284 B13R1.683 CCCOC(=O)CSCC1CCC1 62a_100000763275_200011215008 [0,1,0,1,0,0|1,0,1]=4 6285 B13R1.683 CCCOC(=O)CSCC1CCC1 62a_200011215008_100000763275 [0,1,0,1,0,0|1,0,1]=4 6286 B13R1.683 CCOCC(=O)NNCC1CCC1 22a_200020586977_100000211967 [0,1,0,1,0,0|2,0,0]=4 6287 B13R1.684 CCOCC(=O)N1CCCC1CC 11a_100000754278_100000211967 [0,1,0,1,0,0|1,0,1]=4 6288 B13R1.684 CCOCC(=O)N1CCCC1CC 1626a_100000754278_100000211967 [0,1,0,1,0,0|1,0,1]=4 6289 B13R1.684 CCOCC(=O)N1CCCC1CC 240690a_100000754278_100000211967 [0,1,0,1,0,0|1,0,1]=4 6290 B13R1.684 CCOCC(=O)N1CCCC1CC 527a_100000754278_100000211967 [0,1,0,1,0,0|1,0,1]=4 6291 B13R1.2488 CCOCC(=O)C1CCCCCC1 1458a_100000211967_100011217769 [0,1,0,1,0,0|0,0,2]=4 6292 B13R1.2488 CCOCC(=O)N1CCCCCC1 11a_100000185865_100000211967 [0,1,0,1,0,0|1,0,1]=4 6293 B13R1.2488 CCOCC(=O)N1CCCCCC1 1626a_100000185865_100000211967 [0,1,0,1,0,0|1,0,1]=4 6294 B13R1.2488 CCOCC(=O)N1CCCCCC1 240690a_100000185865_100000211967 [0,1,0,1,0,0|1,0,1]=4 6295 B13R1.2488 CCOCC(=O)N1CCCCCC1 34a_100121572206_100000182869 [0,1,0,1,0,0|1,0,1]=4 6296 B13R1.2488 CCOCC(=O)N1CCCCCC1 527a_100000185865_100000211967 [0,1,0,1,0,0|1,0,1]=4 6297 B13R1.3580 CCCOC(=O)COCC1CC1C 34a_100000744939_200011215008 [0,1,0,1,0,0|1,0,1]=4 6298 B13R1.3580 CCCOC(=O)COCC1CC1C 7a_100000744939_200011215008 [0,1,0,1,0,0|1,0,1]=4 6299 B13R1.20 CCCC(C)CN1CCOC(=O)C1 2230a_100000131268_100011216630 [0,1,0,1,0,0|1,0,1]=4 6300 B13R1.20 CCCC(C)CN1CCOC(=O)C1 270004a_100000131268_100000243154 [0,1,0,1,0,0|1,0,1]=4 6301 B13R1.20 CCOC(=O)C=C1CCCN(C1)C 2230a_100015190328_200000210301 [0,1,0,1,0,0|1,0,0]=3 6302 B13R1.20 CCOC(=O)C=C1CCCN(C1)C 269982a_100015190328_200000210301 [0,1,0,1,0,0|1,0,0]=3 6303 B13R1.20 CCOC(=O)C=C1CCCN(C1)[13CH3] 2230a_100015190328_200025704644 [0,1,0,1,0,0|1,0,0]=3 6304 B13R1.20 CCOC(=O)C=C1CCCN(C1)[13CH3] 269982a_100015190328_200025704644 [0,1,0,1,0,0|1,0,0]=3 6305 B13R1.20 CCOC(=O)CN1CCCC(C1)F 2230a_100000697950_100000188475 [0,1,0,1,0,0|1,0,1]=4 6306 B13R1.20 CCOC(=O)CN1CCCC(C1)F 269982a_100000697950_100000188475 [0,1,0,1,0,0|1,0,1]=4 6307 B13R1.20 CCOC(=O)CN1CCCC(C1)F 34a_100000697950_100000188475 [0,1,0,1,0,0|1,0,1]=4 6308 B13R1.20 CCOC(=O)CN1CCCC(C1)O 2230a_100000211013_100000188475 [0,1,0,1,0,0|1,0,1]=4 6309 B13R1.20 CCOC(=O)CN1CCCC(C1)O 269982a_100000211013_100000188475 [0,1,0,1,0,0|1,0,1]=4 6310 B13R1.20 CCOC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000188475 [0,1,0,1,0,0|1,0,1]=4 6311 B13R1.20 CCOC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000188475 [0,1,0,1,0,0|1,0,1]=4 6312 B13R1.20 CCOC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000188475 [0,1,0,1,0,0|1,0,1]=4 6313 B13R1.33 CCCC(=CC(=O)C1CCCC1)C 1458a_100020676950_100000179811 [0,1,0,1,0,0|2,0,0]=4 6314 B13R1.33 CCCC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747444 [0,1,0,1,0,0|1,0,1]=4 6315 B13R1.33 CCNC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000183381 [0,1,0,1,0,0|1,0,1]=4 6316 B13R1.33 CCOC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000188475 [0,1,0,1,0,0|0,0,1]=3 6317 B13R1.33 CCOC(=O)CC(=O)C1CCCC1 1458a_100000243816_100000179811 [0,1,0,1,0,0|0,0,1]=3 6318 B13R1.33 CCOC(=O)CC(=O)C1CCCS1 1458a_100012002731_100000188475 [0,1,0,1,0,0|1,0,1]=4 6319 B13R1.33 CCOC(=O)CC(=O)C1CCOC1 1458a_100000243816_100000690089 [0,1,0,1,0,0|1,0,1]=4 6320 B13R1.33 CCOC(=O)CC(=O)C1CCOC1 1458a_100011219752_100000188475 [0,1,0,1,0,0|1,0,1]=4 6321 B13R1.33 CCOC(=O)CC(=O)N1CCCC1 240690a_100000188435_100000243816 [0,1,0,1,0,0|1,0,1]=4 6322 B13R1.33 CCOC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000188475 [0,1,0,1,0,0|1,0,1]=4 6323 B13R1.33 CCOC(=O)CN(C)C1CCCC1 2230a_100000207505_100000188475 [0,1,0,1,0,0|1,0,1]=4 6324 B13R1.33 CCOC(=O)CN(C)C1CCCC1 2230a_100000220588_100000179811 [0,1,0,1,0,0|1,0,1]=4 6325 B13R1.33 CCOC(=O)CN(C)C1CCCC1 2230a_100025761507_200000210301 [0,1,0,1,0,0|1,0,1]=4 6326 B13R1.33 CCOC(=O)CN(C)C1CCCC1 269982a_100000207505_100000188475 [0,1,0,1,0,0|1,0,1]=4 6327 B13R1.33 CCOC(=O)CN(C)C1CCCC1 270004a_100000220588_100000210133 [0,1,0,1,0,0|1,0,1]=4 6328 B13R1.33 CCOC(=O)CN(C)C1CCCC1 34a_100000207505_100000188475 [0,1,0,1,0,0|1,0,1]=4 6329 B13R1.33 CCOC(=O)CN([13CH3])C1CCCC1 2230a_100025761507_200025704644 [0,1,0,1,0,0|1,0,1]=4 6330 B13R1.156 CCCCCC(=O)C=C1CCCC1 1458a_100000743260_100000210326 [0,1,0,1,0,0|2,0,0]=4 6331 B13R1.725 CCCCCC(=O)C1CCCC1=O 1458a_100000212188_100000211823 [0,1,0,1,0,0|1,0,1]=4 6332 B13R1.725 CCCCCC(=O)C1CCOC1=O 1458a_100000212188_100000211211 [0,1,0,1,0,0|0,0,1]=3 6333 B13R1.725 CCCCCN(C)C1CCOC1=O 2230a_100000223495_100000211211 [0,1,0,1,0,0|1,0,1]=4 6334 B13R1.725 CCCCCN(C)C1CCOC1=O 269982a_100000223495_100000211211 [0,1,0,1,0,0|1,0,1]=4 6335 B13R1.725 CCCOCC(=O)C1CCOC1=O 1458a_100000745993_100000211211 [0,1,0,1,0,0|1,0,1]=4 6336 B13R1.725 CCCSCC(=O)C1CCOC1=O 1458a_100000217233_100000211211 [0,1,0,1,0,0|1,0,1]=4 6337 B13R1.725 CCOCCC(=O)C1CCOC1=O 1458a_100000749530_100000211211 [0,1,0,1,0,0|1,0,1]=4 6338 B13R1.725 CCSCCC(=O)C1CCOC1=O 1458a_100000230768_100000211211 [0,1,0,1,0,0|1,0,1]=4 6339 B13R1.725 COCCCC(=O)C1CCOC1=O 1458a_100000741012_100000211211 [0,1,0,1,0,0|1,0,1]=4 6340 B13R1.725 CSCCCC(=O)C1CCOC1=O 1458a_100000173376_100000211211 [0,1,0,1,0,0|1,0,1]=4 6341 B13R1.725 O=C(CCCCO)C1CCOC1=O 1458a_100000695505_100000211211 [0,1,0,1,0,0|1,0,1]=4 6342 B13R1.2844 CCCC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000747444 [0,1,0,1,0,0|1,0,1]=4 6343 B13R1.2844 CCNC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000183381 [0,1,0,1,0,0|1,0,1]=4 6344 B13R1.2844 CCOC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000188475 [0,1,0,1,0,0|0,0,1]=3 6345 B13R1.2846 CCCC(=CC(=O)CC1CCC1)C 1458a_100020676950_100000763275 [0,1,0,1,0,0|2,0,0]=4 6346 B13R1.2846 CCCC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747444 [0,1,0,1,0,0|1,0,1]=4 6347 B13R1.2846 CCNC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000183381 [0,1,0,1,0,0|1,0,1]=4 6348 B13R1.2846 CCOC(=O)C=C(C)CN1CCC1 269982a_100000754969_100135422193 [0,1,0,1,0,0|1,0,0]=3 6349 B13R1.2846 CCOC(=O)CC(=O)CC1CCC1 1458a_100000243816_100000763275 [0,1,0,1,0,0|0,0,1]=3 6350 B13R1.2846 CCOC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000188475 [0,1,0,1,0,0|0,0,1]=3 6351 B13R1.2846 CCOC(=O)CC(=O)CC1CCO1 1458a_100000243816_100000103362 [0,1,0,1,0,0|1,0,1]=4 6352 B13R1.2846 CCOC(=O)CC(=O)CC1COC1 1458a_100000243816_100010264016 [0,1,0,1,0,0|1,0,1]=4 6353 B13R1.2846 CCOC(=O)CC(=O)CC1COC1 1458a_100000687760_100000188475 [0,1,0,1,0,0|1,0,1]=4 6354 B13R1.2846 CCOC(=O)CC(=O)CN1CCC1 269982a_100000754969_100000210311 [0,1,0,1,0,0|1,0,1]=4 6355 B13R1.2846 CCOC(=O)CC(=O)NC1CCC1 240690a_100000749019_100000243816 [0,1,0,1,0,0|1,0,1]=4 6356 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 2230a_100000220588_100000763275 [0,1,0,1,0,0|1,0,1]=4 6357 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 2230a_200000750244_100000188475 [0,1,0,1,0,0|1,0,1]=4 6358 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 269982a_200000750244_100000188475 [0,1,0,1,0,0|1,0,1]=4 6359 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 34a_200000750244_100000188475 [0,1,0,1,0,0|1,0,1]=4 6360 B13R1.2846 CCOC(=O)NC(=O)CN1CCC1 269982a_100000754969_100000010344 [0,1,0,1,0,0|2,0,0]=4 6361 B13R1.2847 CCCC(=CC(=O)CCC1CC1)C 1458a_100020676950_100000694398 [0,1,0,1,0,0|2,0,0]=4 6362 B13R1.2847 CCCC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747444 [0,1,0,1,0,0|1,0,1]=4 6363 B13R1.2847 CCNC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000183381 [0,1,0,1,0,0|1,0,1]=4 6364 B13R1.2847 CCOC(=O)C=C(C)CNC1CC1 34a_100000212008_100135422193 [0,1,0,1,0,0|1,0,0]=3 6365 B13R1.2847 CCOC(=O)C=C(C)CSC1CC1 62a_100135422193_100000211595 [0,1,0,1,0,0|1,0,0]=3 6366 B13R1.2847 CCOC(=O)CC(=O)CCC1CC1 1458a_100000243816_100000694398 [0,1,0,1,0,0|0,0,1]=3 6367 B13R1.2847 CCOC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000188475 [0,1,0,1,0,0|0,0,1]=3 6368 B13R1.2847 CCOC(=O)CC(=O)CCC1CO1 1458a_100000243816_100000732470 [0,1,0,1,0,0|1,0,1]=4 6369 B13R1.2847 CCOC(=O)CC(=O)CSC1CC1 62a_100000210311_100000211595 [0,1,0,1,0,0|1,0,1]=4 6370 B13R1.2847 CCOC(=O)CC(=O)NCC1CC1 240690a_100000735609_100000243816 [0,1,0,1,0,0|1,0,1]=4 6371 B13R1.2847 CCOC(=O)CN(C)CCC1CC1 2230a_100000220588_100000694398 [0,1,0,1,0,0|1,0,1]=4 6372 B13R1.2848 CCOC(=O)CC(=O)N1CCC1C 240690a_100000755817_100000243816 [0,1,0,1,0,0|1,0,1]=4 6373 B13R1.2969 CCCCCC(=O)C=C(C)C1CC1 1458a_100000742917_100000210326 [0,1,0,1,0,0|2,0,0]=4 6374 B13R1.2969 CCCCCC(=O)CC(=O)C1CC1 1458a_100000210395_200012276598 [0,1,0,1,0,0|1,0,1]=4 6375 B13R1.2969 CCCCCC(=O)CC(=O)C1CC1 1458a_100000212188_100000746382 [0,1,0,1,0,0|1,0,1]=4 6376 B13R1.19 CC1CCC(=CC(=O)CCF)CC1 1458a_100000756110_100011217306 [0,1,0,1,0,0|2,0,0]=4 6377 B13R1.19 CC1CCC(=CC(=O)CCO)CC1 1458a_100000756110_100000211926 [0,1,0,1,0,0|2,0,0]=4 6378 B13R1.19 CCCC(=O)C=C1CCC(CC1)C 1458a_100000756110_100000210303 [0,1,0,1,0,0|1,0,0]=3 6379 B13R1.19 CCCC(=O)C=C1CCN(CC1)C 1458a_100000699038_100000210303 [0,1,0,1,0,0|2,0,0]=4 6380 B13R1.19 CCNC(=O)C=C1CCC(CC1)C 11a_100015525214_100000756110 [0,1,0,1,0,0|1,0,0]=3 6381 B13R1.19 CCNC(=O)C=C1CCC(CC1)C 240690a_100015525214_100000756110 [0,1,0,1,0,0|1,0,0]=3 6382 B13R1.19 CCNC(=O)C=C1CCN(CC1)C 11a_100015525214_100000699038 [0,1,0,1,0,0|2,0,0]=4 6383 B13R1.19 CCNC(=O)C=C1CCN(CC1)C 240690a_100015525214_100000699038 [0,1,0,1,0,0|2,0,0]=4 6384 B13R1.19 CCOC(=O)CN1CCC(CC1)C 2230a_100000188429_100000188475 [0,1,0,1,0,0|1,0,1]=4 6385 B13R1.19 CCOC(=O)CN1CCC(CC1)C 269982a_100000188429_100000188475 [0,1,0,1,0,0|1,0,1]=4 6386 B13R1.19 CCOC(=O)CN1CCC(CC1)C 34a_100000188429_100000188475 [0,1,0,1,0,0|1,0,1]=4 6387 B13R1.19 CCOC(=O)CN1CCC(CC1)F 2230a_100015193889_100000188475 [0,1,0,1,0,0|1,0,1]=4 6388 B13R1.19 CCOC(=O)CN1CCC(CC1)F 269982a_100015193889_100000188475 [0,1,0,1,0,0|1,0,1]=4 6389 B13R1.19 CCOC(=O)CN1CCC(CC1)F 34a_100015193889_100000188475 [0,1,0,1,0,0|1,0,1]=4 6390 B13R1.19 CCOC(=O)CN1CCC(CC1)O 2230a_100025773856_100000188475 [0,1,0,1,0,0|1,0,1]=4 6391 B13R1.19 CCOC(=O)CN1CCC(CC1)O 269982a_100025773856_100000188475 [0,1,0,1,0,0|1,0,1]=4 6392 B13R1.19 CNNC(=O)C=C1CCC(CC1)C 22a_100016993582_100000756110 [0,1,0,1,0,0|2,0,0]=4 6393 B13R1.599 CCC(C)CCNC1CCOC1=O 2230a_100020591266_100000211211 [0,1,0,1,0,0|1,0,1]=4 6394 B13R1.599 CCC(C)CCOC1CCOC1=O 7a_100011215188_100000211211 [0,1,0,1,0,0|1,0,1]=4 6395 B13R1.1493 CCOC(=O)/C=C/CNC1(CC1)C 2230a_100000757604_100016267167 [0,1,0,1,0,0|1,0,0]=3 6396 B13R1.1493 CCOC(=O)/C=C/COC1(CC1)C 7a_100011725673_100016267167 [0,1,0,1,0,0|1,0,0]=3 6397 B13R1.149 CC(C)CCCN1CCOC(=O)C1 2230a_100000131268_100011214892 [0,1,0,1,0,0|1,0,1]=4 6398 B13R1.149 CC(O)CCCN1CCOC(=O)C1 2230a_100000131268_200000718107 [0,1,0,1,0,0|1,0,1]=4 6399 B13R1.167 CC(C)CCCNC1CCOC1=O 2230a_200000737386_100000211211 [0,1,0,1,0,0|1,0,1]=4 6400 B13R1.167 CC(C)CCCNC1CCOC1=O 34a_200000737386_100000211211 [0,1,0,1,0,0|1,0,1]=4 6401 B13R1.167 CC(C)CCCOC1CCOC1=O 34a_100000210774_100000211211 [0,1,0,1,0,0|1,0,1]=4 6402 B13R1.167 CC(C)CCCOC1CCOC1=O 7a_100000210774_100000211211 [0,1,0,1,0,0|1,0,1]=4 6403 B13R1.167 CC(C)CCCSC1CCOC1=O 62a_100000211211_100011214892 [0,1,0,1,0,0|1,0,1]=4 6404 B13R1.167 CC(C)CCCSC1CCOC1=O 62a_100011214892_100000211211 [0,1,0,1,0,0|1,0,1]=4 6405 B13R1.167 CC(O)CCCSC1CCOC1=O 62a_100000211211_200000718107 [0,1,0,1,0,0|1,0,1]=4 6406 B13R1.167 CC(O)CCCSC1CCOC1=O 62a_200000718107_100000211211 [0,1,0,1,0,0|1,0,1]=4 6407 B13R1.462 CCOC(=O)/C=C/CN1CC(C1)C 2230a_100000702820_100016267167 [0,1,0,1,0,0|1,0,0]=3 6408 B13R1.462 CCOC(=O)/C=C/CN1CC(C1)C 269982a_100000702820_100016267167 [0,1,0,1,0,0|1,0,0]=3 6409 B13R1.462 CCOC(=O)/C=C/CN1CC(C1)C 34a_100000702820_100016267167 [0,1,0,1,0,0|1,0,0]=3 6410 B13R1.462 CCOC(=O)/C=C/CN1CC(C1)F 2230a_100000690557_100016267167 [0,1,0,1,0,0|1,0,0]=3 6411 B13R1.462 CCOC(=O)/C=C/CN1CC(C1)F 269982a_100000690557_100016267167 [0,1,0,1,0,0|1,0,0]=3 6412 B13R1.462 CCOC(=O)/C=C/CN1CC(C1)F 34a_100000690557_100016267167 [0,1,0,1,0,0|1,0,0]=3 6413 B13R1.462 CCOC(=O)/C=C/CN1CC(C1)O 269982a_100000749847_100016267167 [0,1,0,1,0,0|1,0,0]=3 6414 B13R1.462 CCOC(=O)CNCC1CC(C1)O 2230a_100016992100_100000188475 [0,1,0,1,0,0|1,0,1]=4 6415 B13R1.462 CCOC(=O)COCC1CC(C1)Cl 34a_100009874164_100000188475 [0,1,0,1,0,0|1,0,1]=4 6416 B13R1.692 CCOC(=O)CN1CCCC1(C)C 2230a_100000761399_100000188475 [0,1,0,1,0,0|1,0,1]=4 6417 B13R1.692 CCOC(=O)CN1CCCC1(C)C 269982a_100000761399_100000188475 [0,1,0,1,0,0|1,0,1]=4 6418 B13R1.692 CCOC(=O)CN1CCCC1(C)C 34a_100000761399_100000188475 [0,1,0,1,0,0|1,0,1]=4 6419 B13R1.2553 CCOC(=O)COCC1CC1(C)C 34a_100000728257_100000188475 [0,1,0,1,0,0|1,0,1]=4 6420 B13R1.2553 CCOC(=O)COCC1CC1(C)C 7a_100000728257_100000188475 [0,1,0,1,0,0|1,0,1]=4 6421 B13R1.1496 CCOC(=O)/C=C/CN(C)C1CC1 2230a_100000226674_100016267167 [0,1,0,1,0,0|1,0,0]=3 6422 B13R1.1496 CCOC(=O)/C=C/CN(C)C1CC1 269982a_100000226674_100016267167 [0,1,0,1,0,0|1,0,0]=3 6423 B13R1.1496 CCOC(=O)CNCC(O)C1CC1 2230a_100000751198_100000188475 [0,1,0,1,0,0|1,0,1]=4 6424 B13R1.1496 CCOC(=O)CNCC(O)C1CC1 34a_100000751198_100000188475 [0,1,0,1,0,0|1,0,1]=4 6425 B13R1.1496 CCOC(=O)COC[C@H](N)C1CC1 34a_100020623730_100000188475 [0,1,0,1,0,0|1,0,1]=4 6426 B13R1.2554 CCOC(=O)CNCC1(CCC1)C 2230a_100000706607_100000188475 [0,1,0,1,0,0|1,0,1]=4 6427 B13R1.2554 CCOC(=O)CNCC1(CCC1)O 2230a_100000752638_100000188475 [0,1,0,1,0,0|1,0,1]=4 6428 B13R1.2554 CCOC(=O)CSCC1(CCC1)C 62a_100000188475_100000726658 [0,1,0,1,0,0|1,0,1]=4 6429 B13R1.2554 CCOC(=O)CSCC1(CCC1)C 62a_100000726658_100000188475 [0,1,0,1,0,0|1,0,1]=4 6430 B13R2.13 O=C1CN(CCO1)C2CCCC2 2230a_100000131268_100000179811 [0,0,0,2,0,0|1,0,1]=4 6431 B13R2.13 O=C1CN(CCO1)C2CCCC2 270004a_100000131268_100000210133 [0,0,0,2,0,0|1,0,1]=4 6432 B13R2.3021 O=C1CN(CCO1)CC2CCC2 2230a_100000131268_100000763275 [0,0,0,2,0,0|1,0,1]=4 6433 B13R2.5331 O=C1CN(CCO1)CCC2CC2 2230a_100000131268_100000694398 [0,0,0,2,0,0|1,0,1]=4 6434 B13R2.2232 CCOC(=O)CN1CC2CC2C1 2230a_100000741873_100000188475 [0,0,0,2,0,0|1,0,1]=4 6435 B13R2.2232 CCOC(=O)CN1CC2CC2C1 269982a_100000741873_100000188475 [0,0,0,2,0,0|1,0,1]=4 6436 B13R2.2232 CCOC(=O)CN1CC2CC2C1 34a_100000741873_100000188475 [0,0,0,2,0,0|1,0,1]=4 6437 B13R2.29 O=C1OCCC1NC2CCCC2 2230a_100000211070_100000211211 [0,0,0,2,0,0|1,0,1]=4 6438 B13R2.29 O=C1OCCC1NC2CCCC2 34a_100000211070_100000211211 [0,0,0,2,0,0|1,0,1]=4 6439 B13R2.29 O=C1OCCC1OC2CCCC2 34a_100000210269_100000211211 [0,0,0,2,0,0|1,0,1]=4 6440 B13R2.29 O=C1OCCC1OC2CCCC2 7a_100000210269_100000211211 [0,0,0,2,0,0|1,0,1]=4 6441 B13R2.29 O=C1OCCC1SC2CCCC2 62a_100000211211_100000179811 [0,0,0,2,0,0|1,0,1]=4 6442 B13R2.29 O=C1OCCC1SC2CCCC2 62a_100011217020_100000211211 [0,0,0,2,0,0|1,0,1]=4 6443 B13R2.3140 O=C1OCCC1NCCC2CC2 34a_100000764129_100000211211 [0,0,0,2,0,0|1,0,1]=4 6444 B13R2.3140 O=C1OCCC1OCCC2CC2 34a_100000754188_100000211211 [0,0,0,2,0,0|1,0,1]=4 6445 B13R2.3140 O=C1OCCC1OCCC2CC2 7a_100000754188_100000211211 [0,0,0,2,0,0|1,0,1]=4 6446 B13R2.3140 O=C1OCCC1SCCC2CC2 62a_100000211211_100000764125 [0,0,0,2,0,0|1,0,1]=4 6447 B13R2.3140 O=C1OCCC1SCCC2CC2 62a_100000764125_100000211211 [0,0,0,2,0,0|1,0,1]=4 6448 B13R2.3152 O=C1OCCC1NCC2CCC2 2230a_100000738700_100000211211 [0,0,0,2,0,0|1,0,1]=4 6449 B13R2.3152 O=C1OCCC1NCC2CCC2 34a_100000738700_100000211211 [0,0,0,2,0,0|1,0,1]=4 6450 B13R2.3152 O=C1OCCC1OCC2CCC2 34a_100000760304_100000211211 [0,0,0,2,0,0|1,0,1]=4 6451 B13R2.3152 O=C1OCCC1SCC2CCC2 62a_100000211211_100000763275 [0,0,0,2,0,0|1,0,1]=4 6452 B13R2.3152 O=C1OCCC1SCC2CCC2 62a_100000763275_100000211211 [0,0,0,2,0,0|1,0,1]=4 6453 B13R2.181 C[C@@H]1CCCN1C2CCOC2=O 2230a_100015189458_100000211211 [0,0,0,2,0,0|1,0,1]=4 6454 B13R2.181 C[C@@H]1CCCN1C2CCOC2=O 269982a_100015189458_100000211211 [0,0,0,2,0,0|1,0,1]=4 6455 B13R2.181 C[C@@H]1CCCN1C2CCOC2=O 34a_100015189458_100000211211 [0,0,0,2,0,0|1,0,1]=4 6456 B13R2.181 C[C@H]1CCCN1C2CCOC2=O 2230a_100020605311_100000211211 [0,0,0,2,0,0|1,0,1]=4 6457 B13R2.181 C[C@H]1CCCN1C2CCOC2=O 269982a_100020605311_100000211211 [0,0,0,2,0,0|1,0,1]=4 6458 B13R2.179 CC1CC1COC2CCOC2=O 34a_100000744939_100000211211 [0,0,0,2,0,0|1,0,1]=4 6459 B13R2.179 CC1CC1COC2CCOC2=O 7a_100000744939_100000211211 [0,0,0,2,0,0|1,0,1]=4