0 B13R0.1398 C=C(C)CCOC(C)CCC=C(C)C 34a_100102619829_100000730704 [0,0,0,0,0,0|2,0,1]=3 1 B13R0.1398 C=C(C)CCOC(C)CCC=C(C)C 7a_100102619829_100000730704 [0,0,0,0,0,0|2,0,1]=3 2 B13R0.1398 CC(=CCC/C(=C/CNC(C)C)/C)C 2230a_100138425928_100016991246 [0,0,0,0,0,0|2,0,1]=3 3 B13R0.1398 CC(=CCC/C(=C/CNC(C)C)/C)C 2230a_200020676162_100000210206 [0,0,0,0,0,0|2,0,1]=3 4 B13R0.1398 CC(=CCC/C(=C/CNC(C)C)/C)C 34a_100138425928_100016991246 [0,0,0,0,0,0|2,0,1]=3 5 B13R0.1398 CC(=CCC/C(=C/CNC(C)C)/C)C 34a_200020676162_100000210206 [0,0,0,0,0,0|2,0,1]=3 6 B13R0.1398 CC(=CCC/C(=C/COC(C)C)/C)C 34a_100000212225_100016991246 [0,0,0,0,0,0|2,0,1]=3 7 B13R0.1398 CC(=CCC/C(=C/CSC(C)C)/C)C 62a_100000210206_100016991246 [0,0,0,0,0,0|2,0,1]=3 8 B13R0.1398 CC(=CCC/C(=C/CSC(C)C)/C)C 62a_100016991246_100000210206 [0,0,0,0,0,0|2,0,1]=3 9 B13R0.1398 CC(=CCC/C(=C\COC(C)C)/C)C 34a_100016990311_100000210206 [0,0,0,0,0,0|2,0,1]=3 10 B13R0.1398 CC(=CCC/C(=C\COC(C)C)/C)C 7a_100016990311_100000210206 [0,0,0,0,0,0|2,0,1]=3 11 B13R0.1398 CC(=CCCC(=NNCC(C)O)C)C 4a_200000730056_100000765506 [0,0,0,0,0,0|2,0,2]=4 12 B13R0.1398 CC(=CCCC(=O)C=CCN(C)C)C 1458a_100000754359_100011217483 [0,0,0,0,0,0|3,0,1]=4 13 B13R0.1398 CC(=CCCC(=O)CCCC(C)C)C 1458a_100011216857_100011217483 [0,0,0,0,0,0|2,0,2]=4 14 B13R0.1398 CC(=CCCC(=O)CCC[N+](=O)[O-])C 1458a_100016109205_100011217483 [0,0,0,0,0,0|3,0,1]=4 15 B13R0.1398 CC(=CCCC(=O)CCNC(=O)N)C 1458a_100000181464_100011217483 [0,0,0,0,0,0|3,0,1]=4 16 B13R0.1398 CC(=CCCC(=O)COCC(=O)N)C 1458a_100011219004_100011217483 [0,0,0,0,0,0|3,0,1]=4 17 B13R0.1398 CC(=CCCC(C)NCC=C(C)C)C 270004a_100000718196_100000765506 [0,0,0,0,0,0|2,0,2]=4 18 B13R0.1398 CC(=CCCC(C)NCCC(C)C)C 270004a_100000210545_100000765506 [0,0,0,0,0,0|2,0,2]=4 19 B13R0.1398 CC(=CCCC(C)NCCC(C)O)C 270004a_200000755665_100000765506 [0,0,0,0,0,0|1,0,3]=4 20 B13R0.1398 CC(=CCCC(C)NCCN(C)C)C 270004a_100000210585_100000765506 [0,0,0,0,0,0|3,0,1]=4 21 B13R0.1398 CC(=CCCC(C)OCC=C(C)C)C 34a_100102619829_100000761012 [0,0,0,0,0,0|2,0,2]=4 22 B13R0.1398 CC(=CCCC(C)OCC=C(C)C)C 7a_100102619829_100000761012 [0,0,0,0,0,0|2,0,2]=4 23 B13R0.1398 CC(=CCCC(C)OCCC(=O)N)C 34a_100102619829_100000731001 [0,0,0,0,0,0|2,0,1]=3 24 B13R0.1398 CC(=CCCC(C)OCCC(=O)N)C 7a_100102619829_100000744528 [0,0,0,0,0,0|2,0,1]=3 25 B13R0.1398 CC(=CCCC(C)OCCC(C)C)C 34a_100102619829_100000210312 [0,0,0,0,0,0|2,0,2]=4 26 B13R0.1398 CC(=CCCC(C)OCCC(C)C)C 7a_100102619829_100000210626 [0,0,0,0,0,0|2,0,2]=4 27 B13R0.1398 CC(=CCCC(C)OCCC(C)O)C 34a_100102619829_100012276601 [0,0,0,0,0,0|1,0,3]=4 28 B13R0.1398 CC(=CCCC(C)OCCC(C)O)C 7a_100102619829_100012276601 [0,0,0,0,0,0|1,0,3]=4 29 B13R0.1398 CC(=CCCC(C)OCCN(C)C)C 7a_100102619829_100000755713 [0,0,0,0,0,0|3,0,1]=4 30 B13R0.1398 CC(=CCCN(C)CCCC(=O)O)C 269956a_100000719178_100011217483 [0,0,0,0,0,0|2,0,1]=3 31 B13R0.1398 CC(=CCCN(C)CCCN(C)C)C 269982a_100000225831_100011217483 [0,0,0,0,0,0|3,0,1]=4 32 B13R0.1398 CC(=CCNC(=O)NCCC(=O)N)C 2708a_100000718196_100000740010 [0,0,0,0,0,0|4,0,0]=4 33 B13R0.1398 CC(=CCNC(=O)NCCC(=O)N)C 273464a_100000718196_100000740010 [0,0,0,0,0,0|4,0,0]=4 34 B13R0.1398 CC(=CCNC(=O)NCCC(=O)N)C 273464a_100000740010_100000718196 [0,0,0,0,0,0|4,0,0]=4 35 B13R0.1398 CC(=CCNC(=O)NCCC(=O)N)C 512a_100000718196_100000740010 [0,0,0,0,0,0|4,0,0]=4 36 B13R0.1398 CC(=CCOC(C)CCCC(=O)[O-])C 7a_100000761597_100000761012 [0,0,0,0,0,0|2,0,2]=4 37 B13R0.1398 CC(=O)CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100011215641 [0,0,0,0,0,0|1,0,3]=4 38 B13R0.1398 CC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011215641 [0,0,0,0,0,0|1,0,3]=4 39 B13R0.1398 CC(=O)CCCC(=O)CCNC(=O)C 1458a_100000183196_100011215641 [0,0,0,0,0,0|3,0,1]=4 40 B13R0.1398 CC(=O)CCCC(=O)CCSC(=O)C 1458a_100000048949_100011215641 [0,0,0,0,0,0|3,0,1]=4 41 B13R0.1398 CC(=O)CCCN(C)CCCN(C)C 269982a_100000225831_100011215641 [0,0,0,0,0,0|2,0,2]=4 42 B13R0.1398 CC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000053229 [0,0,0,0,0,0|1,0,1]=2 43 B13R0.1398 CC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100000053229 [0,0,0,0,0,0|1,0,3]=4 44 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100015343762 [0,0,0,0,0,0|1,0,0]=1 45 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100015343762 [0,0,0,0,0,0|1,0,0]=1 46 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100103153847 [0,0,0,0,0,0|1,0,0]=1 47 B13R0.1398 CC(=O)NCCC(=O)CCC=C(C)C 1458a_100000183196_100011217483 [0,0,0,0,0,0|2,0,1]=3 48 B13R0.1398 CC(=O)NCCC(=O)NCC=C(C)C 11a_100000718196_100000183196 [0,0,0,0,0,0|3,0,1]=4 49 B13R0.1398 CC(=O)NCCC(=O)NCC=C(C)C 1626a_100000718196_100000183196 [0,0,0,0,0,0|3,0,1]=4 50 B13R0.1398 CC(=O)NCCC(=O)NCC=C(C)C 527a_100000718196_100000183196 [0,0,0,0,0,0|3,0,1]=4 51 B13R0.1398 CC(=O)NN=CC(C)CCC=C(C)C 4a_100000189765_100000033009 [0,0,0,0,0,0|2,0,1]=3 52 B13R0.1398 CC(=O)OCOC(C)CCC=C(C)C 34a_100102619829_100009813279 [0,0,0,0,0,0|2,0,1]=3 53 B13R0.1398 CC(=O)SCCC(=O)CCC=C(C)C 1458a_100000048949_100011217483 [0,0,0,0,0,0|2,0,1]=3 54 B13R0.1398 CC(=O)SCCC(=O)NCC=C(C)C 1626a_100000718196_100000048949 [0,0,0,0,0,0|3,0,1]=4 55 B12R0.233 C/C=C/C=CC(=O)CCC=C(C)C 1458a_100000185730_100011217483 [1,0,0,0,0,0|1,0,2]=4 56 B12R0.233 C/C=C/COC(C)CCC=C(C)C 34a_100102619829_100102629194 [1,0,0,0,0,0|1,0,2]=4 57 B12R0.233 C/C=C/COC(C)CCC=C(C)C 7a_100102619829_100102629194 [1,0,0,0,0,0|1,0,2]=4 58 B12R0.233 C=CCCCC(=O)CCC=C(C)C 1458a_100000766728_100011217483 [1,0,0,0,0,0|1,0,2]=4 59 B12R0.233 C=CCCNC(C)CCC=C(C)C 270004a_100015191253_100000765506 [1,0,0,0,0,0|1,0,2]=4 60 B12R0.233 C=CCCOC(C)CCC=C(C)C 34a_100102619829_100000754431 [1,0,0,0,0,0|1,0,2]=4 61 B12R0.233 C=CCCOC(C)CCC=C(C)C 7a_100102619829_100000754431 [1,0,0,0,0,0|1,0,2]=4 62 B12R0.233 CC(=CCC/C(=C/CNCF)/C)C 34a_200020676162_100015361967 [1,0,0,0,0,0|2,0,1]=4 63 B12R0.233 CC(=CCC/C(=C/CSCF)/C)C 62a_100015361967_100016991246 [1,0,0,0,0,0|2,0,1]=4 64 B12R0.233 CC(=CCC/C(=C/CSCF)/C)C 62a_100016991246_100015361967 [1,0,0,0,0,0|2,0,1]=4 65 B12R0.233 CC(=CCC/C(=C\COCF)/C)C 34a_100016990311_100015361967 [1,0,0,0,0,0|2,0,1]=4 66 B12R0.233 CC(=CCC/C(=C\COCF)/C)C 7a_100016990311_100015361967 [1,0,0,0,0,0|2,0,1]=4 67 B12R0.233 CC=CCOC(C)CCC=C(C)C 34a_100102619829_100000070051 [1,0,0,0,0,0|1,0,2]=4 68 B12R0.233 CC=CCOC(C)CCC=C(C)C 7a_100102619829_100000070051 [1,0,0,0,0,0|1,0,2]=4 69 B12R0.233 CCCC=CC(=O)CCC=C(C)C 1458a_100000212230_100011217483 [1,0,0,0,0,0|1,0,2]=4 70 B12R0.233 CCCCCC(=O)CCC=C(C)C 1458a_100000212188_100011217483 [1,0,0,0,0,0|1,0,2]=4 71 B12R0.233 CCCCCN(C)CCC=C(C)C 2230a_100000223495_100011217483 [1,0,0,0,0,0|1,0,2]=4 72 B12R0.233 CCCCCN(C)CCC=C(C)C 269982a_100000223495_100011217483 [1,0,0,0,0,0|1,0,2]=4 73 B12R0.233 CCCCNC(C)CCC=C(C)C 270004a_100000102301_100000765506 [1,0,0,0,0,0|1,0,2]=4 74 B12R0.233 CCCCOC(C)CCC=C(C)C 34a_100102619829_100000210210 [1,0,0,0,0,0|1,0,2]=4 75 B12R0.233 CCCCOC(C)CCC=C(C)C 7a_100102619829_100000210211 [1,0,0,0,0,0|1,0,2]=4 76 B12R0.233 CCCNN=C(C)CCC=C(C)C 4a_100000740057_100000765506 [1,0,0,0,0,0|2,0,1]=4 77 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 2230a_100015525214_100016991246 [1,0,0,0,0,0|1,0,1]=3 78 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000210202 [1,0,0,0,0,0|1,0,1]=3 79 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000210202 [1,0,0,0,0,0|1,0,1]=3 80 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000210202 [1,0,0,0,0,0|1,0,1]=3 81 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000210202 [1,0,0,0,0,0|1,0,1]=3 82 B12R0.233 CCOC/C=C(\C)/CCC=C(C)C 34a_100121572206_100016991246 [1,0,0,0,0,0|1,0,1]=3 83 B12R0.233 CCSC/C=C(\C)/CCC=C(C)C 62a_100000210202_100016991246 [1,0,0,0,0,0|1,0,1]=3 84 B12R0.233 CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000210202 [1,0,0,0,0,0|1,0,1]=3 85 B12R0.233 COCC=CC(=O)CCC=C(C)C 1458a_100016285016_100011217483 [1,0,0,0,0,0|2,0,1]=4 86 B12R0.233 COCCCC(=O)CCC=C(C)C 1458a_100000741012_100011217483 [1,0,0,0,0,0|2,0,1]=4 87 B12R0.233 COCCCN(C)CCC=C(C)C 2230a_100000224831_100011217483 [1,0,0,0,0,0|2,0,1]=4 88 B12R0.233 COCCCN(C)CCC=C(C)C 269982a_100000224831_100011217483 [1,0,0,0,0,0|2,0,1]=4 89 B12R0.233 COCCNC(C)CCC=C(C)C 270004a_100000209980_100000765506 [1,0,0,0,0,0|2,0,1]=4 90 B12R0.233 COCCOC(C)CCC=C(C)C 34a_100102619829_100011201679 [1,0,0,0,0,0|2,0,1]=4 91 B12R0.233 COCCOC(C)CCC=C(C)C 7a_100102619829_100000233755 [1,0,0,0,0,0|2,0,1]=4 92 B12R0.233 CSCCCC(=O)CCC=C(C)C 1458a_100000173376_100011217483 [1,0,0,0,0,0|2,0,1]=4 93 B12R0.233 CSCCNC(C)CCC=C(C)C 270004a_100020590264_100000765506 [1,0,0,0,0,0|2,0,1]=4 94 B12R0.233 CSCCOC(C)CCC=C(C)C 34a_100102619829_100000212216 [1,0,0,0,0,0|2,0,1]=4 95 B12R0.233 CSCCOC(C)CCC=C(C)C 7a_100102619829_100000212216 [1,0,0,0,0,0|2,0,1]=4 96 B12R0.268 CC(=CCCNCCCC(=O)N)C 34a_100000739312_100011217483 [1,0,0,0,0,0|2,0,1]=4 97 B12R0.268 CC(=CCCNCCCS(=O)C)C 2230a_200000753449_100011217483 [1,0,0,0,0,0|2,0,1]=4 98 B12R0.268 CC(=CCCSCCCC(=O)N)C 62a_100011217483_100102525003 [1,0,0,0,0,0|2,0,1]=4 99 B12R0.268 CC(=CCCSCCCC(=O)N)C 62a_100102525003_100011217483 [1,0,0,0,0,0|2,0,1]=4 100 B12R0.268 CC(=O)CCCCNCC=C(C)C 34a_100000718196_100009817362 [1,0,0,0,0,0|1,0,2]=4 101 B12R0.268 CC(=O)CCCCOCC=C(C)C 34a_100000753907_100009817362 [1,0,0,0,0,0|1,0,2]=4 102 B12R0.268 CC(=O)CCCCSCC=C(C)C 62a_100000735457_100000761012 [1,0,0,0,0,0|1,0,2]=4 103 B12R0.268 CC(=O)CCCCSCC=C(C)C 62a_100000761012_100000735457 [1,0,0,0,0,0|1,0,2]=4 104 B12R0.268 CC(=O)CCCOCCC=C(C)C 34a_100000759063_100011217483 [1,0,0,0,0,0|1,0,1]=3 105 B12R0.268 CC(=O)CCCOCCC=C(C)C 7a_100000759063_100011217483 [1,0,0,0,0,0|1,0,1]=3 106 B12R0.268 CC(=O)CCCSCCC=C(C)C 62a_100011215641_100011217483 [1,0,0,0,0,0|1,0,1]=3 107 B12R0.268 CC(=O)CCCSCCC=C(C)C 62a_100011217483_100011215641 [1,0,0,0,0,0|1,0,1]=3 108 B12R0.268 CC(=O)NCCNCCC=C(C)C 2230a_100000209853_100011217483 [1,0,0,0,0,0|2,0,1]=4 109 B12R0.268 CC(=O)NCCOCCC=C(C)C 34a_100000158858_100011217483 [1,0,0,0,0,0|2,0,1]=4 110 B12R0.268 CC(=O)NCCSCCC=C(C)C 62a_100000189650_100011217483 [1,0,0,0,0,0|2,0,1]=4 111 B12R0.268 CC(=O)NCCSCCC=C(C)C 62a_100011217483_100000189650 [1,0,0,0,0,0|2,0,1]=4 112 B12R0.268 CC(=O)OCCSCCC=C(C)C 62a_100009814007_100011217483 [1,0,0,0,0,0|2,0,1]=4 113 B12R0.268 CC(=O)OCCSCCC=C(C)C 62a_100011217483_100009814007 [1,0,0,0,0,0|2,0,1]=4 114 B14R0.222 C=C(C)C(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000185857_100016991246 [0,1,0,0,0,0|1,0,1]=3 115 B14R0.222 CC(=CCC/C(=C/CC(=O)C(C)C)/C)C 1458a_100000210198_100016991246 [0,1,0,0,0,0|1,0,2]=4 116 B14R0.222 CC(=CCC/C(=C/CC(=O)C(C)F)/C)C 1458a_100000062450_100016991246 [0,1,0,0,0,0|1,0,2]=4 117 B14R0.222 CC(=CCC/C(=C/CC(=O)[C@@H](C)O)/C)C 1458a_100000717761_100016991246 [0,1,0,0,0,0|0,0,3]=4 118 B14R0.222 CC(=CCC/C(=C/CC(=O)[C@H](C)O)/C)C 1458a_217856618621_100016991246 [0,1,0,0,0,0|0,0,3]=4 119 B14R0.222 CC(=CCC/C(=C/CN(C)C(C)C)/C)C 269982a_200000211004_100016991246 [0,1,0,0,0,0|2,0,1]=4 120 B14R0.222 CC(=O)C(=O)COC(C)CCC=C(C)C 34a_100102619829_100011261029 [0,1,0,0,0,0|1,0,2]=4 121 B14R0.222 CC(=O)CCCC(=O)CCC(=O)N(C)C 1458a_100011200748_100011215641 [0,1,0,0,0,0|2,0,1]=4 122 B14R0.222 CC(=O)N(C)CCC(=O)CCC=C(C)C 1458a_100011216537_100011217483 [0,1,0,0,0,0|2,0,1]=4 123 B14R0.304 C#CC(C)NC/C=C(\C)/CCC=C(C)C 2230a_100000707721_100016991246 [0,1,0,0,0,0|2,0,1]=4 124 B14R0.304 C#CC(C)NC/C=C(\C)/CCC=C(C)C 34a_100000707721_100016991246 [0,1,0,0,0,0|2,0,1]=4 125 B14R0.304 C#CC(C)NC/C=C(\C)/CCC=C(C)C 34a_200020676162_200000035995 [0,1,0,0,0,0|2,0,1]=4 126 B14R0.304 C#CC(C)OC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000035995 [0,1,0,0,0,0|2,0,1]=4 127 B14R0.304 C#CC(C)SC/C=C(\C)/CCC=C(C)C 62a_200000035995_100016991246 [0,1,0,0,0,0|2,0,1]=4 128 B14R0.304 C#C[C@@H](C)OC/C=C(\C)/CCC=C(C)C 34a_100009815206_100016991246 [0,1,0,0,0,0|2,0,1]=4 129 B14R0.304 C#C[C@@H](C)OC/C=C(\C)/CCC=C(C)C 7a_100009815206_100016991246 [0,1,0,0,0,0|2,0,1]=4 130 B14R0.304 C=CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000185746 [0,1,0,0,0,0|1,0,1]=3 131 B14R0.304 C=CC(C)OC/C=C(\C)/CCC=C(C)C 34a_100000695699_100016991246 [0,1,0,0,0,0|2,0,1]=4 132 B14R0.304 C=CC(C)SC/C=C(\C)/CCC=C(C)C 62a_100011215867_100016991246 [0,1,0,0,0,0|2,0,1]=4 133 B14R0.304 CC(=CCC/C(=C/CNC(=O)CO)/C)C 527a_200020676162_100000210174 [0,1,0,0,0,0|1,0,0]=2 134 B14R0.304 CC(=CCC/C(=C/CNC(C)C#N)/C)C 2230a_100000737613_100016991246 [0,1,0,0,0,0|2,0,1]=4 135 B14R0.304 CC(=CCC/C(=C/CNC(C)C#N)/C)C 2230a_200020676162_100000184139 [0,1,0,0,0,0|2,0,1]=4 136 B14R0.304 CC(=CCC/C(=C/CNC(C)CO)/C)C 2230a_200020676162_100012180447 [0,1,0,0,0,0|1,0,2]=4 137 B14R0.304 CC(=CCC/C(=C/CNC(C)CO)/C)C 34a_200020676162_100012180447 [0,1,0,0,0,0|1,0,2]=4 138 B14R0.304 CC(=CCC/C(=C/CN[C@H](C)CO)/C)C 2230a_100000737577_100016991246 [0,1,0,0,0,0|1,0,2]=4 139 B14R0.304 CC(=CCC/C(=C/COC(C)C#N)/C)C 34a_100011218135_100016991246 [0,1,0,0,0,0|2,0,1]=4 140 B14R0.304 CC(=CCC/C(=C/COC(C)CF)/C)C 34a_100016041109_100016991246 [0,1,0,0,0,0|2,0,1]=4 141 B14R0.304 CC(=CCC/C(=C/COC(C)CF)/C)C 7a_100016041109_100016991246 [0,1,0,0,0,0|2,0,1]=4 142 B14R0.304 CC(=CCC/C(=C/COC(C)CN)/C)C 34a_100000210904_100016991246 [0,1,0,0,0,0|2,0,1]=4 143 B14R0.304 CC(=CCC/C(=C/CSC(C)C#N)/C)C 62a_100000703298_100016991246 [0,1,0,0,0,0|2,0,1]=4 144 B14R0.304 CC(=CCC/C(=C/CSC(C)C#N)/C)C 62a_100016991246_100000703298 [0,1,0,0,0,0|2,0,1]=4 145 B14R0.304 CC(=CCC/C(=C/CSC(C)CO)/C)C 62a_100012180447_100016991246 [0,1,0,0,0,0|1,0,2]=4 146 B14R0.304 CC(=CCC/C(=C/CS[C@H](C)CO)/C)C 62a_100016084084_100016991246 [0,1,0,0,0,0|1,0,2]=4 147 B14R0.304 CC(=CCC/C(=C/CS[C@H](C)CO)/C)C 62a_100016991246_100016084084 [0,1,0,0,0,0|1,0,2]=4 148 B14R0.304 CC(=CCC/C(=C\COC(C)C#N)/C)C 7a_100016990311_100000703298 [0,1,0,0,0,0|2,0,1]=4 149 B14R0.304 CC(=CCC/C(=C\COC(C)CO)/C)C 34a_100016990311_100012180447 [0,1,0,0,0,0|1,0,2]=4 150 B14R0.304 CC(=CCC/C(=C\COC(C)CO)/C)C 7a_100016990311_100012180447 [0,1,0,0,0,0|1,0,2]=4 151 B14R0.304 CC(=CCCC(=O)CCCN(C)N=O)C 1458a_200000076914_100011217483 [0,1,0,0,0,0|2,0,1]=4 152 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210414 [0,1,0,0,0,0|1,0,0]=2 153 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210414 [0,1,0,0,0,0|1,0,0]=2 154 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000210414 [0,1,0,0,0,0|1,0,0]=2 155 B14R0.304 CCC(=O)NN=CC(C)CCC=C(C)C 4a_100000183195_100000033009 [0,1,0,0,0,0|2,0,1]=4 156 B14R0.304 CCC(C)NC/C=C(\C)/CCC=C(C)C 2230a_100000209981_100016991246 [0,1,0,0,0,0|2,0,1]=4 157 B14R0.304 CCC(C)NC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000758301 [0,1,0,0,0,0|2,0,1]=4 158 B14R0.304 CCC(C)NC/C=C(\C)/CCC=C(C)C 34a_200020676162_100011215416 [0,1,0,0,0,0|2,0,1]=4 159 B14R0.304 CCC(C)OC/C=C(/C)\CCC=C(C)C 34a_100016990311_100011215416 [0,1,0,0,0,0|2,0,1]=4 160 B14R0.304 CCC(C)OC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000758301 [0,1,0,0,0,0|2,0,1]=4 161 B14R0.304 CCC(C)OC/C=C(\C)/CCC=C(C)C 7a_100000210228_100016991246 [0,1,0,0,0,0|2,0,1]=4 162 B14R0.304 CCC(C)SC/C=C(\C)/CCC=C(C)C 62a_100000758301_100016991246 [0,1,0,0,0,0|2,0,1]=4 163 B14R0.304 CCC(C)SC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000758301 [0,1,0,0,0,0|2,0,1]=4 164 B14R0.304 CNC(=O)CCNC(=O)NCC=C(C)C 2708a_100000718196_100000738227 [0,1,0,0,0,0|3,0,0]=4 165 B14R0.304 CNC(=O)CCNC(=O)NCC=C(C)C 273464a_100000718196_100000738227 [0,1,0,0,0,0|3,0,0]=4 166 B14R0.304 CNC(=O)CCNC(=O)NCC=C(C)C 273464a_100000738227_100000718196 [0,1,0,0,0,0|3,0,0]=4 167 B14R0.304 CNC(=O)CCNC(=O)NCC=C(C)C 512a_100000718196_100000738227 [0,1,0,0,0,0|3,0,0]=4 168 B14R0.304 CNC(=O)CCNC(=O)NCC=C(C)C 512a_100000738227_100000718196 [0,1,0,0,0,0|3,0,0]=4 169 B14R0.304 CNC(=O)CCNC(C)CCC=C(C)C 270004a_100000738227_100000765506 [0,1,0,0,0,0|1,0,1]=3 170 B14R0.304 CNC(=O)CCOC(C)CCC=C(C)C 34a_100102619829_100012179268 [0,1,0,0,0,0|1,0,1]=3 171 B14R0.304 CNC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000737683 [0,1,0,0,0,0|1,0,1]=3 172 B14R0.304 CNC(=O)CNCC(C)CCC=C(C)C 270004a_100000693194_100000033009 [0,1,0,0,0,0|1,0,2]=4 173 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_100102657272_200020676162 [0,1,0,0,0,0|1,0,0]=2 174 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_200020676162_106832991635 [0,1,0,0,0,0|1,0,0]=2 175 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_100102657272_200020676162 [0,1,0,0,0,0|1,0,0]=2 176 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_200020676162_100102657272 [0,1,0,0,0,0|1,0,0]=2 177 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_106832991638_200020676162 [0,1,0,0,0,0|1,0,0]=2 178 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_200020676162_100102657272 [0,1,0,0,0,0|1,0,0]=2 179 B14R0.304 CNC(C)CCC=C(C)CCC=C(C)C 270004a_106832991635_100020644987 [0,1,0,0,0,0|1,0,1]=3 180 B14R0.304 COC(=O)CCCC(=O)CCC=C(C)C 1458a_100000239890_100011217483 [0,1,0,0,0,0|1,0,1]=3 181 B14R0.304 COC(=O)CCCC(=O)NCC=C(C)C 11a_100000718196_100000239890 [0,1,0,0,0,0|2,0,1]=4 182 B14R0.304 COC(=O)CCCC(=O)NCC=C(C)C 1626a_100000718196_100000239890 [0,1,0,0,0,0|2,0,1]=4 183 B14R0.304 COC(=O)CCCC(=O)NCC=C(C)C 527a_100000718196_100000239890 [0,1,0,0,0,0|2,0,1]=4 184 B14R0.304 COC(=O)CCCN(C)CCC=C(C)C 269982a_100000739225_100011217483 [0,1,0,0,0,0|1,0,1]=3 185 B14R0.304 COC(=O)CCOC(C)CCC=C(C)C 34a_100102619829_100000742370 [0,1,0,0,0,0|1,0,1]=3 186 B14R0.304 COC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000204255 [0,1,0,0,0,0|1,0,1]=3 187 B14R0.304 COC(=O)CSCC(=O)CCC=C(C)C 1458a_100000191316_100011217483 [0,1,0,0,0,0|2,0,1]=4 188 B14R0.304 COC(C)SC/C=C(\C)/CCC=C(C)C 62a_100009879195_100016991246 [0,1,0,0,0,0|1,0,2]=4 189 B14R0.304 COC(C)SC/C=C(\C)/CCC=C(C)C 62a_100016991246_100009879195 [0,1,0,0,0,0|1,0,2]=4 190 B14R0.426 C=C(C)CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000748629 [0,1,0,0,0,0|1,0,1]=3 191 B14R0.426 C=C(F)CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100009893438 [0,1,0,0,0,0|1,0,2]=4 192 B14R0.426 CC(=CCCC(=CC(=O)CC(=O)N)C)C 1458a_100016995320_100000187820 [0,1,0,0,0,0|1,0,1]=3 193 B14R0.426 CC(=CCCC(=CC(=O)CC(=O)[O-])C)C 1458a_100016995320_100020667443 [0,1,0,0,0,0|1,0,1]=3 194 B14R0.426 CC(=CCCC(=CC(=O)CC(C)C)C)C 1458a_100016995320_100000210624 [0,1,0,0,0,0|1,0,2]=4 195 B14R0.426 CC(=CCCC(=CC(=O)CC(C)O)C)C 1458a_100016995320_100011218427 [0,1,0,0,0,0|0,0,3]=4 196 B14R0.426 CC(=CCCC(=CC(=O)C[N+](=O)[O-])C)C 1458a_100016995320_100000761209 [0,1,0,0,0,0|2,0,1]=4 197 B14R0.1421 CC(=CCCC(C)N(C)CCC(=O)N)C 270004a_100000730477_100000765506 [0,1,0,0,0,0|2,0,1]=4 198 B14R0.1421 CC(=O)SC[C@@H](C)C(=O)CCC=C(C)C 1458a_200015407212_100011217483 [0,1,0,0,0,0|2,0,1]=4 199 B14R0.2691 CC(=CCC/C(=C/CNC(C)(C)C)/C)C 2230a_100000715429_100016991246 [0,1,0,0,0,0|2,0,1]=4 200 B14R0.2691 CC(=CCC/C(=C/CNC(C)(C)C)/C)C 34a_200020676162_100000210625 [0,1,0,0,0,0|2,0,1]=4 201 B14R0.2691 CC(=CCC/C(=C/CNS(=O)(=O)C)/C)C 40a_200020676162_100000738038 [0,1,0,0,0,0|2,0,0]=3 202 B14R0.2691 CC(=CCC/C(=C/COC(C)(C)C)/C)C 34a_100015890283_100016991246 [0,1,0,0,0,0|2,0,1]=4 203 B14R0.2691 CC(=CCC/C(=C/COC(C)(C)C)/C)C 7a_100015890283_100016991246 [0,1,0,0,0,0|2,0,1]=4 204 B14R0.2691 CC(=CCC/C(=C/CSC(C)(C)C)/C)C 62a_100000211941_100016991246 [0,1,0,0,0,0|2,0,1]=4 205 B14R0.2691 CC(=CCC/C(=C/CSC(C)(C)C)/C)C 62a_100016991246_100000211941 [0,1,0,0,0,0|2,0,1]=4 206 B14R0.2691 CC(=CCC/C(=C\COC(C)(C)C)/C)C 34a_100016990311_100000210625 [0,1,0,0,0,0|2,0,1]=4 207 B14R0.2691 CC(=CCCC(C)NCCS(=O)(=O)C)C 270004a_100000740961_100000765506 [0,1,0,0,0,0|2,0,1]=4 208 B14R0.2691 CC(=CCCC(C)OCCS(=O)(=O)C)C 34a_100102619829_100000731031 [0,1,0,0,0,0|2,0,1]=4 209 B14R0.2691 CC(=CCCC(C)OCCS(=O)(=O)C)C 7a_100102619829_100000230027 [0,1,0,0,0,0|2,0,1]=4 210 B14R1.1456 CC(=CCCN1CC(C1)CC(=O)O)C 269956a_100016993960_100011217483 [0,0,0,1,0,0|2,0,1]=4 211 B14R1.1456 CC(=O)OC1CN(C1)CCC=C(C)C 269982a_100016994906_100011217483 [0,0,0,1,0,0|2,0,1]=4 212 B14R1.1470 CC(=CCC/C(=C/CNC1CC1)/C)C 34a_100000212008_100016991246 [0,0,0,1,0,0|2,0,1]=4 213 B14R1.1470 CC(=CCC/C(=C/CNC1CC1)/C)C 34a_200020676162_100000211595 [0,0,0,1,0,0|2,0,1]=4 214 B14R1.1470 CC(=CCC/C(=C/CSC1CC1)/C)C 62a_100016991246_100000211595 [0,0,0,1,0,0|2,0,1]=4 215 B14R1.1470 CC(=CCC/C(=C\COC1CC1)/C)C 34a_100016990311_100000211595 [0,0,0,1,0,0|2,0,1]=4 216 B14R1.4268 CC(=CCCC(=O)C1CCC(=O)N1)C 1458a_100000210400_100011217483 [0,0,0,1,0,0|2,0,1]=4 217 B14R1.4268 CC(=CCCC(=O)C1CNC(=O)C1)C 1458a_100000747279_100011217483 [0,0,0,1,0,0|2,0,1]=4 218 B14R1.4268 CC(=CCCC(=O)[C@@H]1CCC(=O)O1)C 1458a_100009814974_100011217483 [0,0,0,1,0,0|2,0,1]=4 219 B14R1.4917 CC(=CCCN1CCNC(=O)CC1)C 2230a_100000698595_100011217483 [0,0,0,1,0,0|2,0,1]=4 220 B14R1.4917 CC(=CCCN1CCNC(=O)CC1)C 269982a_100000698595_100011217483 [0,0,0,1,0,0|2,0,1]=4 221 B14R1.5035 C=C1CC(C1)NC(C)CCC=C(C)C 270004a_100132301982_100000765506 [0,0,0,1,0,0|2,0,1]=4 222 B14R1.6314 CC(=CCCN1CCC(C1)C(=O)N)C 2230a_100000752358_100011217483 [0,0,0,1,0,0|2,0,1]=4 223 B14R1.6314 CC(=CCCN1CCC(C1)C(=O)N)C 269982a_100000752358_100011217483 [0,0,0,1,0,0|2,0,1]=4 224 B14R1.6314 CC(=CCCN1CCC(C1)C(=O)N)C 34a_100000752358_100011217483 [0,0,0,1,0,0|2,0,1]=4 225 B12R0.44 C=C(C)CCC(=O)CCC=C(C)C 1458a_200000688413_100011217483 [0,0,0,0,1,0|2,0,0]=3 226 B12R0.44 C=C(C)CCC(=O)CCCC(=O)C 1458a_200000688413_100011215641 [0,0,0,0,1,0|1,0,2]=4 227 B12R0.44 C=C(C)CCC(=O)NCC=C(C)C 11a_100000718196_200000688413 [0,0,0,0,1,0|3,0,0]=4 228 B12R0.44 C=C(C)CCC(=O)NCC=C(C)C 1626a_100000718196_200000688413 [0,0,0,0,1,0|3,0,0]=4 229 B12R0.44 C=C(C)CCC(=O)NCC=C(C)C 527a_100000718196_200000688413 [0,0,0,0,1,0|3,0,0]=4 230 B12R0.44 C=C(C)CCC(C)NCC=C(C)C 270004a_100000718196_100011215600 [0,0,0,0,1,0|2,0,1]=4 231 B12R0.44 C=C(C)COC(C)CCC=C(C)C 34a_100102619829_100000748629 [0,0,0,0,1,0|2,0,1]=4 232 B12R0.44 C=C(C)COC(C)CCC=C(C)C 7a_100102619829_100000748629 [0,0,0,0,1,0|2,0,1]=4 233 B12R0.44 CC(=CCC(=O)CCCC(=O)N)C 1458a_100011220947_100102525003 [0,0,0,0,1,0|2,0,1]=4 234 B12R0.44 CC(=CCC(=O)NCCC(=O)N)C 11a_100000740010_100011220947 [0,0,0,0,1,0|3,0,0]=4 235 B12R0.44 CC(=CCC(=O)NCCC(=O)N)C 240690a_100000740010_100011220947 [0,0,0,0,1,0|3,0,0]=4 236 B12R0.44 CC(=CCC(=O)NCCC(=O)N)C 527a_100000740010_100011220947 [0,0,0,0,1,0|3,0,0]=4 237 B12R0.44 CC(=CCC/C(=C/CN(C)C)/C)C 2230a_100102631434_100016991246 [0,0,0,0,1,0|2,0,0]=3 238 B12R0.44 CC(=CCC/C(=C/CN(C)C)/C)C 269982a_100102631434_100016991246 [0,0,0,0,1,0|2,0,0]=3 239 B12R0.44 CC(=CCCC(=O)CC=C(C)C)C 1458a_100011220947_100011217483 [0,0,0,0,1,0|2,0,1]=4 240 B12R0.44 CC(=CCCC(=O)CCC(=O)N)C 1458a_100011215257_100011217483 [0,0,0,0,1,0|2,0,0]=3 241 B12R0.44 CC(=CCCC(=O)CCC(C)C)C 1458a_100000181311_100011217483 [0,0,0,0,1,0|2,0,1]=4 242 B12R0.44 CC(=CCCC(=O)CC[N+](=O)[O-])C 1458a_200000064761_100011217483 [0,0,0,0,1,0|3,0,0]=4 243 B12R0.44 CC(=CCCC(=O)CC[S+](C)C)C 1458a_100009452791_100011217483 [0,0,0,0,1,0|3,0,0]=4 244 B12R0.44 CC(=CCCC(=O)CNC(=O)N)C 1458a_100000184981_100011217483 [0,0,0,0,1,0|3,0,0]=4 245 B12R0.44 CC(=CCCC(C)CCN(C)C)C 2230a_100102631434_100009814015 [0,0,0,0,1,0|2,0,1]=4 246 B12R0.44 CC(=CCCC(C)CCN(C)C)C 269982a_100102631434_100009814015 [0,0,0,0,1,0|2,0,1]=4 247 B12R0.44 CC(=CCCC(C)CCN(C)C)C 270004a_100102631434_100000212096 [0,0,0,0,1,0|2,0,1]=4 248 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 34a_100102619829_100000187820 [0,0,0,0,1,0|2,0,1]=4 249 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 7a_100102619829_100000187820 [0,0,0,0,1,0|2,0,1]=4 250 B12R0.44 CC(=CCCC(C)OCC(=O)[O-])C 34a_100102619829_100020667443 [0,0,0,0,1,0|2,0,1]=4 251 B12R0.44 CC(=CCCN(C)CCC(=O)N)C 2230a_100000730477_100011217483 [0,0,0,0,1,0|2,0,0]=3 252 B12R0.44 CC(=CCCN(C)CCC(C)C)C 2230a_100000742789_100011217483 [0,0,0,0,1,0|2,0,1]=4 253 B12R0.44 CC(=CCCN(C)CCC(C)C)C 269982a_100000742789_100011217483 [0,0,0,0,1,0|2,0,1]=4 254 B12R0.44 CC(=CCCN(C)CCN(C)C)C 269982a_100000225618_100011217483 [0,0,0,0,1,0|3,0,0]=4 255 B12R0.44 CC(=CCN(C)CCCC(=O)O)C 269956a_100000719178_100000761012 [0,0,0,0,1,0|2,0,1]=4 256 B12R0.44 CC(=CCNC(=O)CCC(=O)N)C 527a_100000718196_100011215257 [0,0,0,0,1,0|3,0,0]=4 257 B12R0.44 CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000070787_100016991246 [0,0,0,0,1,0|0,0,0]=1 258 B12R0.44 CC(=O)CCC(C)CCC=C(C)C 1458a_100000070787_100009814015 [0,0,0,0,1,0|0,0,1]=2 259 B12R0.44 CC(=O)CCC(C)CCCC(C)C 1458a_100000070787_100009816328 [0,0,0,0,1,0|0,0,3]=4 260 B12R0.44 CC(=O)CCCC(=O)CC=C(C)C 1458a_100011220947_100011215641 [0,0,0,0,1,0|1,0,1]=3 261 B12R0.44 CC(=O)CCCC(=O)CCC(C)C 1458a_100000181311_100011215641 [0,0,0,0,1,0|1,0,2]=4 262 B12R0.44 CC(=O)CCCC(=O)CC[S+](C)C 1458a_100009452791_100011215641 [0,0,0,0,1,0|2,0,1]=4 263 B12R0.44 CC(=O)CCCN(C)CCC(C)C 269982a_100000742789_100011215641 [0,0,0,0,1,0|1,0,2]=4 264 B12R0.44 CC(=O)CCCN(C)CCN(C)C 269982a_100000225618_100011215641 [0,0,0,0,1,0|2,0,1]=4 265 B12R0.44 CC(=O)CCN(C)CCCN(C)C 269982a_100000225831_100000053229 [0,0,0,0,1,0|2,0,1]=4 266 B12R0.44 CC(=O)CCOC(C)CCC(C)C 34a_100000759926_100011261404 [0,0,0,0,1,0|1,0,2]=4 267 B12R0.44 CC(=O)CCOC(C)CCC(C)C 7a_100011215350_100000053229 [0,0,0,0,1,0|1,0,2]=4 268 B12R0.44 CC(=O)CCSC(C)CCC(C)C 62a_100000053229_100011261404 [0,0,0,0,1,0|1,0,2]=4 269 B12R0.44 CC(=O)CCSC(C)CCC(C)C 62a_100011261404_100000053229 [0,0,0,0,1,0|1,0,2]=4 270 B12R0.44 CC(=O)NCC(=O)CCC=C(C)C 1458a_100000194580_100011217483 [0,0,0,0,1,0|2,0,0]=3 271 B12R0.44 CC(=O)NCC(=O)NCC=C(C)C 11a_100000718196_100000194580 [0,0,0,0,1,0|3,0,0]=4 272 B12R0.44 CC(=O)NCC(=O)NCC=C(C)C 1626a_100000718196_100000194580 [0,0,0,0,1,0|3,0,0]=4 273 B12R0.44 CC(=O)NCC(=O)NCC=C(C)C 527a_100000718196_100000194580 [0,0,0,0,1,0|3,0,0]=4 274 B12R0.44 CC(=O)NCCC(=O)CC=C(C)C 1458a_100000183196_100000761012 [0,0,0,0,1,0|2,0,1]=4 275 B12R0.44 CC(=O)NCCC(=O)CC=C(C)C 1458a_100011220947_100000189650 [0,0,0,0,1,0|2,0,1]=4 276 B12R0.44 CC(=O)NN=C(C)CCC=C(C)C 4a_100000189765_100000765506 [0,0,0,0,1,0|2,0,0]=3 277 B12R0.44 CC(=O)OCC(=O)CCC=C(C)C 1458a_100000183556_100011217483 [0,0,0,0,1,0|2,0,0]=3 278 B12R0.44 CC(=O)OCC(=O)NCC=C(C)C 1626a_100000718196_100000183556 [0,0,0,0,1,0|3,0,0]=4 279 B12R0.44 CC(=O)OCC(=O)NCC=C(C)C 527a_100000718196_100000183556 [0,0,0,0,1,0|3,0,0]=4 280 B12R0.44 CC(=O)OCC(C)NCC=C(C)C 270004a_100000718196_100000000629 [0,0,0,0,1,0|2,0,1]=4 281 B12R0.44 CC(=O)OCCC(=O)CC=C(C)C 1458a_100011220947_100009814007 [0,0,0,0,1,0|2,0,1]=4 282 B12R0.44 CC(=O)SCC(=O)CCC=C(C)C 1458a_100000049016_100011217483 [0,0,0,0,1,0|2,0,0]=3 283 B12R0.44 CC(=O)SCC(=O)NCC=C(C)C 11a_100000718196_100000049016 [0,0,0,0,1,0|3,0,0]=4 284 B12R0.44 CC(=O)SCC(=O)NCC=C(C)C 1626a_100000718196_100000049016 [0,0,0,0,1,0|3,0,0]=4 285 B12R0.44 CC(=O)SCCC(=O)CC=C(C)C 1458a_100000048949_100000761012 [0,0,0,0,1,0|2,0,1]=4 286 B14R0.67 C=C(C)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000748629 [0,0,0,0,0,1|1,0,0]=2 287 B14R0.67 C=C(C)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000748629 [0,0,0,0,0,1|1,0,0]=2 288 B14R0.67 C=C(C)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000748629 [0,0,0,0,0,1|1,0,0]=2 289 B14R0.67 C=C(C)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000748629 [0,0,0,0,0,1|1,0,0]=2 290 B14R0.67 C=C(C)COC/C=C(\C)/CCC=C(C)C 34a_100000210245_100016991246 [0,0,0,0,0,1|1,0,0]=2 291 B14R0.67 C=C(C)COCCC(C)CCC=C(C)C 34a_100000017536_100000748629 [0,0,0,0,0,1|1,0,2]=4 292 B14R0.67 C=C(C)COCCC(C)CCC=C(C)C 34a_100000210245_100009814015 [0,0,0,0,0,1|1,0,2]=4 293 B14R0.67 C=C(C)COCCC(C)CCC=C(C)C 7a_100000017536_100000748629 [0,0,0,0,0,1|1,0,2]=4 294 B14R0.67 C=C(C)CSC/C=C(\C)/CCC=C(C)C 62a_100000748629_100016991246 [0,0,0,0,0,1|1,0,0]=2 295 B14R0.67 C=C(C)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000211660 [0,0,0,0,0,1|1,0,0]=2 296 B14R0.67 C=C(C)CSCCC(C)CCC=C(C)C 62a_100000748629_100009814015 [0,0,0,0,0,1|1,0,2]=4 297 B14R0.67 C=C(C)CSCCC(C)CCC=C(C)C 62a_100009814015_100000211660 [0,0,0,0,0,1|1,0,2]=4 298 B14R0.67 C=C(F)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100009893438 [0,0,0,0,0,1|1,0,1]=3 299 B14R0.67 C=C(F)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100009893438 [0,0,0,0,0,1|1,0,1]=3 300 B14R0.67 C=C(F)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100009893438 [0,0,0,0,0,1|1,0,1]=3 301 B14R0.67 C=C(F)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000042424 [0,0,0,0,0,1|1,0,1]=3 302 B14R0.67 C=C(F)COC/C=C(\C)/CCC=C(C)C 34a_200010262243_100016991246 [0,0,0,0,0,1|1,0,1]=3 303 B14R0.67 C=C(F)CSC/C=C(\C)/CCC=C(C)C 62a_100000042424_100016991246 [0,0,0,0,0,1|1,0,1]=3 304 B14R0.67 C=C(F)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000042424 [0,0,0,0,0,1|1,0,1]=3 305 B14R0.67 CC(=CCC/C(=C/CNCC(=O)N)/C)C 2230a_100000711301_100016991246 [0,0,0,0,0,1|1,0,0]=2 306 B14R0.67 CC(=CCC/C(=C/CNCC(=O)N)/C)C 2230a_200020676162_100000747473 [0,0,0,0,0,1|1,0,0]=2 307 B14R0.67 CC(=CCC/C(=C/CNCC(=O)N)/C)C 34a_200020676162_100000187820 [0,0,0,0,0,1|1,0,0]=2 308 B14R0.67 CC(=CCC/C(=C/CNCC(=O)O)/C)C 269956a_100016091260_100016991246 [0,0,0,0,0,1|1,0,0]=2 309 B14R0.67 CC(=CCC/C(=C/CNCC(=O)[O-])/C)C 34a_200020676162_100020667443 [0,0,0,0,0,1|1,0,0]=2 310 B14R0.67 CC(=CCC/C(=C/CNCC(C)C)/C)C 2230a_100000210953_100016991246 [0,0,0,0,0,1|1,0,1]=3 311 B14R0.67 CC(=CCC/C(=C/CNCC(C)C)/C)C 2230a_200020676162_100000210760 [0,0,0,0,0,1|1,0,1]=3 312 B14R0.67 CC(=CCC/C(=C/CNCC(C)C)/C)C 270004a_200020676162_100000210432 [0,0,0,0,0,1|1,0,1]=3 313 B14R0.67 CC(=CCC/C(=C/CNCC(C)C)/C)C 34a_100000210953_100016991246 [0,0,0,0,0,1|1,0,1]=3 314 B14R0.67 CC(=CCC/C(=C/CNCC(C)C)/C)C 34a_200020676162_100000210624 [0,0,0,0,0,1|1,0,1]=3 315 B14R0.67 CC(=CCC/C(=C/CNCC(C)O)/C)C 2230a_100000210904_100016991246 [0,0,0,0,0,1|0,0,2]=3 316 B14R0.67 CC(=CCC/C(=C/CNCC(C)O)/C)C 2230a_200020676162_100011218427 [0,0,0,0,0,1|0,0,2]=3 317 B14R0.67 CC(=CCC/C(=C/CNCC(C)O)/C)C 34a_100000210904_100016991246 [0,0,0,0,0,1|0,0,2]=3 318 B14R0.67 CC(=CCC/C(=C/CNCC(C)O)/C)C 34a_200020676162_100011218427 [0,0,0,0,0,1|0,0,2]=3 319 B14R0.67 CC(=CCC/C(=C/CNCC(F)F)/C)C 2230a_200020676162_100011934356 [0,0,0,0,0,1|2,0,1]=4 320 B14R0.67 CC(=CCC/C(=C/CNCC(F)F)/C)C 34a_100000765723_100016991246 [0,0,0,0,0,1|2,0,1]=4 321 B14R0.67 CC(=CCC/C(=C/CNCC(F)F)/C)C 34a_200020676162_100011934356 [0,0,0,0,0,1|2,0,1]=4 322 B14R0.67 CC(=CCC/C(=C/CNC[C@@H](C)O)/C)C 2230a_200020676162_100009817552 [0,0,0,0,0,1|0,0,2]=3 323 B14R0.67 CC(=CCC/C(=C/CNC[C@@H](C)O)/C)C 34a_200020676162_100009817552 [0,0,0,0,0,1|0,0,2]=3 324 B14R0.67 CC(=CCC/C(=C/CNC[N+](=O)[O-])/C)C 34a_200020676162_100000761209 [0,0,0,0,0,1|2,0,0]=3 325 B14R0.67 CC(=CCC/C(=C/COCC(C)Br)/C)C 34a_100012180447_100016991246 [0,0,0,0,0,1|1,0,1]=3 326 B14R0.67 CC(=CCC/C(=C/COCC(C)C)/C)C 34a_100000210257_100016991246 [0,0,0,0,0,1|1,0,1]=3 327 B14R0.67 CC(=CCC/C(=C/COCC(C)F)/C)C 34a_100015925927_100016991246 [0,0,0,0,0,1|1,0,1]=3 328 B14R0.67 CC(=CCC/C(=C/COCC(F)F)/C)C 34a_100000743014_100016991246 [0,0,0,0,0,1|2,0,1]=4 329 B14R0.67 CC(=CCC/C(=C/COC[C@@H](C)Cl)/C)C 34a_100016084084_100016991246 [0,0,0,0,0,1|1,0,1]=3 330 B14R0.67 CC(=CCC/C(=C/COC[C@@H](C)N)/C)C 34a_100000737577_100016991246 [0,0,0,0,0,1|1,0,1]=3 331 B14R0.67 CC(=CCC/C(=C/CSCC(=O)N)/C)C 62a_100000747473_100016991246 [0,0,0,0,0,1|1,0,0]=2 332 B14R0.67 CC(=CCC/C(=C/CSCC(=O)N)/C)C 62a_100016991246_100000747473 [0,0,0,0,0,1|1,0,0]=2 333 B14R0.67 CC(=CCC/C(=C/CSCC(=O)[O-])/C)C 62a_100016991246_100020667443 [0,0,0,0,0,1|1,0,0]=2 334 B14R0.67 CC(=CCC/C(=C/CSCC(=O)[O-])/C)C 62a_100020667443_100016991246 [0,0,0,0,0,1|1,0,0]=2 335 B14R0.67 CC(=CCC/C(=C/CSCC(C)C)/C)C 62a_100000210624_100016991246 [0,0,0,0,0,1|1,0,1]=3 336 B14R0.67 CC(=CCC/C(=C/CSCC(C)C)/C)C 62a_100016991246_100000210760 [0,0,0,0,0,1|1,0,1]=3 337 B14R0.67 CC(=CCC/C(=C/CSCC(C)O)/C)C 62a_100011218427_100016991246 [0,0,0,0,0,1|0,0,2]=3 338 B14R0.67 CC(=CCC/C(=C/CSCC(C)O)/C)C 62a_100016991246_100011218427 [0,0,0,0,0,1|0,0,2]=3 339 B14R0.67 CC(=CCC/C(=C/CSCC(F)F)/C)C 62a_100011934356_100016991246 [0,0,0,0,0,1|2,0,1]=4 340 B14R0.67 CC(=CCC/C(=C/CSCC(F)F)/C)C 62a_100016991246_100011934356 [0,0,0,0,0,1|2,0,1]=4 341 B14R0.67 CC(=CCC/C(=C/CSC[C@@H](C)O)/C)C 62a_100009817552_100016991246 [0,0,0,0,0,1|0,0,2]=3 342 B14R0.67 CC(=CCC/C(=C/CSC[C@@H](C)O)/C)C 62a_100016991246_100009817552 [0,0,0,0,0,1|0,0,2]=3 343 B14R0.67 CC(=CCC/C(=C/CSC[N+](=O)[O-])/C)C 62a_100016991246_100000761209 [0,0,0,0,0,1|2,0,0]=3 344 B14R0.67 CC(=CCC/C(=C\COCC(=O)N)/C)C 34a_100016990311_100000187820 [0,0,0,0,0,1|1,0,0]=2 345 B14R0.67 CC(=CCC/C(=C\COCC(=O)N)/C)C 7a_100016990311_100000187820 [0,0,0,0,0,1|1,0,0]=2 346 B14R0.67 CC(=CCC/C(=C\COCC(=O)[O-])/C)C 34a_100016990311_100020667443 [0,0,0,0,0,1|1,0,0]=2 347 B14R0.67 CC(=CCC/C(=C\COCC(C)C)/C)C 34a_100016990311_100000210624 [0,0,0,0,0,1|1,0,1]=3 348 B14R0.67 CC(=CCC/C(=C\COCC(C)C)/C)C 7a_100016990311_100000210760 [0,0,0,0,0,1|1,0,1]=3 349 B14R0.67 CC(=CCC/C(=C\COCC(C)O)/C)C 34a_100016990311_100011218427 [0,0,0,0,0,1|0,0,2]=3 350 B14R0.67 CC(=CCC/C(=C\COCC(C)O)/C)C 7a_100016990311_100011218427 [0,0,0,0,0,1|0,0,2]=3 351 B14R0.67 CC(=CCC/C(=C\COCC(F)F)/C)C 34a_100016990311_100011934356 [0,0,0,0,0,1|2,0,1]=4 352 B14R0.67 CC(=CCC/C(=C\COCC(F)F)/C)C 7a_100016990311_100011934356 [0,0,0,0,0,1|2,0,1]=4 353 B14R0.67 CC(=CCC/C(=C\COC[C@@H](C)O)/C)C 34a_100016990311_100009817552 [0,0,0,0,0,1|0,0,2]=3 354 B14R0.67 CC(=CCC/C(=C\COC[C@@H](C)O)/C)C 7a_100016990311_100009817552 [0,0,0,0,0,1|0,0,2]=3 355 B14R0.67 CC(=CCC/C(=C\COC[N+](=O)[O-])/C)C 34a_100016990311_100000761209 [0,0,0,0,0,1|2,0,0]=3 356 B14R0.67 CC(=CCCC(=O)CCSCC(=O)N)C 1458a_100000148550_100011217483 [0,0,0,0,0,1|2,0,1]=4 357 B14R0.67 CC(=CCCC(C)CCNCC(=O)N)C 2230a_100000711301_100009814015 [0,0,0,0,0,1|1,0,2]=4 358 B14R0.67 CC(=CCCC(C)CCNCC(=O)O)C 269956a_100016091260_100009814015 [0,0,0,0,0,1|1,0,2]=4 359 B14R0.67 CC(=CCCC(C)CCOCC(=O)N)C 34a_100000017536_100000187820 [0,0,0,0,0,1|1,0,2]=4 360 B14R0.67 CC(=CCCC(C)CCOCC(=O)N)C 7a_100000017536_100000187820 [0,0,0,0,0,1|1,0,2]=4 361 B14R0.67 CC(=CCCC(C)CCOCC(=O)[O-])C 34a_100000017536_100020667443 [0,0,0,0,0,1|1,0,2]=4 362 B14R0.67 CC(=CCCC(C)CCSCC(=O)N)C 62a_100000747473_100009814015 [0,0,0,0,0,1|1,0,2]=4 363 B14R0.67 CC(=CCCC(C)CCSCC(=O)N)C 62a_100009814015_100000747473 [0,0,0,0,0,1|1,0,2]=4 364 B14R0.67 CC(=CCCC(C)CCSCC(=O)[O-])C 62a_100009814015_100020667443 [0,0,0,0,0,1|1,0,2]=4 365 B14R0.67 CC(=CCCC(C)CCSCC(=O)[O-])C 62a_100020667443_100009814015 [0,0,0,0,0,1|1,0,2]=4 366 B14R0.67 CC(=CCCC(C)NCCCS(=O)C)C 270004a_200000753449_100000765506 [0,0,0,0,0,1|1,0,2]=4 367 B14R0.67 CC(=CCCC(C)OCCCC(=O)N)C 34a_100102619829_100102525003 [0,0,0,0,0,1|1,0,2]=4 368 B14R0.67 CC(=CCCC(C)OCCCC(=O)N)C 7a_100102619829_100102525003 [0,0,0,0,0,1|1,0,2]=4 369 B14R0.67 CC(=CCCC(C)OCCNC(=O)N)C 7a_100102619829_200000034859 [0,0,0,0,0,1|2,0,1]=4 370 B14R0.67 CC(=CCCC(C)OCCOC(=O)N)C 34a_100102619829_200011214921 [0,0,0,0,0,1|2,0,1]=4 371 B14R0.67 CC(=CCCC(C)OCCOC(=O)N)C 7a_100102619829_200011214921 [0,0,0,0,0,1|2,0,1]=4 372 B14R0.67 CC(=CCCOC(C)CCC=C(C)C)C 34a_100102619829_100011217483 [0,0,0,0,0,1|2,0,1]=4 373 B14R0.67 CC(=CCCOC(C)CCC=C(C)C)C 7a_100102619829_100011217483 [0,0,0,0,0,1|2,0,1]=4 374 B14R0.67 CC(=CCCOC(C)CCCC(=O)[O-])C 7a_100000761597_100011217483 [0,0,0,0,0,1|1,0,2]=4 375 B14R0.67 CC(=CCNCC(=O)NCCC(=O)N)C 2230a_200138414118_100000761012 [0,0,0,0,0,1|3,0,0]=4 376 B14R0.67 CC(=O)CCCOC(C)CCC=C(C)C 34a_100102619829_100000685027 [0,0,0,0,0,1|0,0,2]=3 377 B14R0.67 CC(=O)CCCOC(C)CCC=C(C)C 7a_100102619829_100011215641 [0,0,0,0,0,1|0,0,2]=3 378 B14R0.67 CC(=O)COC/C=C(\C)/CCC=C(C)C 34a_100000211253_100016991246 [0,0,0,0,0,1|0,0,0]=1 379 B14R0.67 CC(=O)COCCC(C)CCC=C(C)C 34a_100000211253_100009814015 [0,0,0,0,0,1|0,0,2]=3 380 B14R0.67 CC(=O)NCCCC(=O)CCC=C(C)C 1458a_100000194741_100011217483 [0,0,0,0,0,1|1,0,1]=3 381 B14R0.67 CC(=O)NCCCC(=O)NCC=C(C)C 11a_100000718196_100000194741 [0,0,0,0,0,1|2,0,1]=4 382 B14R0.67 CC(=O)NCCCC(=O)NCC=C(C)C 1626a_100000718196_100000194741 [0,0,0,0,0,1|2,0,1]=4 383 B14R0.67 CC(=O)NCCCC(=O)NCC=C(C)C 527a_100000718196_100000194741 [0,0,0,0,0,1|2,0,1]=4 384 B14R0.67 CC(=O)NCCNC(=O)NCC=C(C)C 2708a_100000209853_100000718196 [0,0,0,0,0,1|3,0,0]=4 385 B14R0.67 CC(=O)NCCNC(=O)NCC=C(C)C 2708a_100000718196_100000209853 [0,0,0,0,0,1|3,0,0]=4 386 B14R0.67 CC(=O)NCCNC(=O)NCC=C(C)C 273464a_100000209853_100000718196 [0,0,0,0,0,1|3,0,0]=4 387 B14R0.67 CC(=O)NCCNC(=O)NCC=C(C)C 273464a_100000718196_100000209853 [0,0,0,0,0,1|3,0,0]=4 388 B14R0.67 CC(=O)NCCNC(=O)NCC=C(C)C 512a_100000209853_100000718196 [0,0,0,0,0,1|3,0,0]=4 389 B14R0.67 CC(=O)NCCNC(=O)NCC=C(C)C 512a_100000718196_100000209853 [0,0,0,0,0,1|3,0,0]=4 390 B14R0.67 CC(=O)NCCOC(C)CCC=C(C)C 7a_100102619829_100000189650 [0,0,0,0,0,1|1,0,1]=3 391 B14R0.67 CC(=O)NN=CC=C(C)CCC=C(C)C 4a_100000189765_100000211119 [0,0,0,0,0,1|1,0,1]=3 392 B14R0.67 CC(=O)NN=CCC(C)CCC=C(C)C 4a_100000189765_100000212096 [0,0,0,0,0,1|2,0,1]=4 393 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 2708a_100000718196_100000724843 [0,0,0,0,0,1|3,0,0]=4 394 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 273464a_100000718196_100000724843 [0,0,0,0,0,1|3,0,0]=4 395 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 273464a_100000724843_100000718196 [0,0,0,0,0,1|3,0,0]=4 396 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 512a_100000718196_100000724843 [0,0,0,0,0,1|3,0,0]=4 397 B14R0.67 CC(=O)OCCNC(=O)NCC=C(C)C 512a_100000724843_100000718196 [0,0,0,0,0,1|3,0,0]=4 398 B14R0.67 CC(=O)OCCOC(C)CCC=C(C)C 34a_100102619829_100009814007 [0,0,0,0,0,1|1,0,1]=3 399 B14R0.67 CC(=O)OCCOC(C)CCC=C(C)C 7a_100102619829_100009814007 [0,0,0,0,0,1|1,0,1]=3 400 B14R0.67 CC(=O)SCCNC(=O)NCC=C(C)C 2708a_100000718196_100020647217 [0,0,0,0,0,1|3,0,0]=4 401 B14R0.67 CC(=O)SCCNC(=O)NCC=C(C)C 2708a_100020647217_100000718196 [0,0,0,0,0,1|3,0,0]=4 402 B14R0.67 CC(=O)SCCNC(=O)NCC=C(C)C 273464a_100000718196_100020647217 [0,0,0,0,0,1|3,0,0]=4 403 B14R0.67 CC(=O)SCCNC(=O)NCC=C(C)C 273464a_100020647217_100000718196 [0,0,0,0,0,1|3,0,0]=4 404 B14R0.67 CC(=O)SCCNC(=O)NCC=C(C)C 512a_100000718196_100020647217 [0,0,0,0,0,1|3,0,0]=4 405 B14R0.67 CC(=O)SCCNC(=O)NCC=C(C)C 512a_100020647217_100000718196 [0,0,0,0,0,1|3,0,0]=4 406 B11R0.147 C=CCCC(=O)CCC=C(C)C 1458a_100000749702_100011217483 [2,0,0,0,0,0|1,0,1]=4 407 B11R0.147 C=CCCC(=O)CCCC(=O)C 1458a_100000749702_100011215641 [2,0,0,0,0,0|1,0,1]=4 408 B11R0.147 C=CCCC(C)OCCC(=O)C 7a_100000765329_100000053229 [2,0,0,0,0,0|1,0,1]=4 409 B11R0.147 C=CCCN(C)CCC=C(C)C 2230a_100020639649_100011217483 [2,0,0,0,0,0|1,0,1]=4 410 B11R0.147 C=CCCN(C)CCC=C(C)C 269982a_100020639649_100011217483 [2,0,0,0,0,0|1,0,1]=4 411 B11R0.147 C=CCCN(C)CCCC(=O)C 269982a_100020639649_100011215641 [2,0,0,0,0,0|1,0,1]=4 412 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 2230a_200020676162_200025704644 [2,0,0,0,0,0|1,0,0]=3 413 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 34a_200020676162_200025704644 [2,0,0,0,0,0|1,0,0]=3 414 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_100016991246_200025704644 [2,0,0,0,0,0|1,0,0]=3 415 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_200025704644_100016991246 [2,0,0,0,0,0|1,0,0]=3 416 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [2,0,0,0,0,0|1,0,0]=3 417 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [2,0,0,0,0,0|1,0,0]=3 418 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 34a_100000017536_200025704644 [2,0,0,0,0,0|1,0,1]=4 419 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 7a_100000017536_200025704644 [2,0,0,0,0,0|1,0,1]=4 420 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_100009814015_200025704644 [2,0,0,0,0,0|1,0,1]=4 421 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_200025704644_100009814015 [2,0,0,0,0,0|1,0,1]=4 422 B11R0.147 CC(=CCCC(C)OCC=O)C 34a_100102619829_200009817547 [2,0,0,0,0,0|1,0,1]=4 423 B11R0.147 CC(=CCCC(C)OCC=O)C 7a_100102619829_200015260668 [2,0,0,0,0,0|1,0,1]=4 424 B11R0.147 CC=CCC(=O)CCC=C(C)C 1458a_100121576822_100011217483 [2,0,0,0,0,0|1,0,1]=4 425 B11R0.147 CC=CCC(=O)CCCC(=O)C 1458a_100121576822_100011215641 [2,0,0,0,0,0|1,0,1]=4 426 B11R0.147 CCC=CC(=O)CCC=C(C)C 1458a_100000212282_100011217483 [2,0,0,0,0,0|1,0,1]=4 427 B11R0.147 CCCCC(=O)CCC=C(C)C 1458a_100000210183_100011217483 [2,0,0,0,0,0|1,0,1]=4 428 B11R0.147 CCCCN(C)CCC=C(C)C 2230a_100000207549_100011217483 [2,0,0,0,0,0|1,0,1]=4 429 B11R0.147 CCCCN(C)CCC=C(C)C 269982a_100000207549_100011217483 [2,0,0,0,0,0|1,0,1]=4 430 B11R0.147 CCCNC(C)CCC=C(C)C 270004a_100020643023_100000765506 [2,0,0,0,0,0|1,0,1]=4 431 B11R0.147 CCCOC(C)CCC=C(C)C 34a_100102619829_100000210303 [2,0,0,0,0,0|1,0,1]=4 432 B11R0.147 CCCOC(C)CCC=C(C)C 7a_100102619829_100000210303 [2,0,0,0,0,0|1,0,1]=4 433 B11R0.147 CCNN=C(C)CCC=C(C)C 4a_100000756455_100000765506 [2,0,0,0,0,0|2,0,0]=4 434 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_106832991635_100016991246 [2,0,0,0,0,0|1,0,0]=3 435 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_200000210301 [2,0,0,0,0,0|1,0,0]=3 436 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_100102657272_100016991246 [2,0,0,0,0,0|1,0,0]=3 437 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_200000210301 [2,0,0,0,0,0|1,0,0]=3 438 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 7a_106832991635_100016991246 [2,0,0,0,0,0|1,0,0]=3 439 B11R0.147 CNCCC(C)CCC=C(C)C 2230a_106832991635_100009814015 [2,0,0,0,0,0|1,0,1]=4 440 B11R0.147 CNCCC(C)CCC=C(C)C 269862a_106832991636_100000212096 [2,0,0,0,0,0|1,0,1]=4 441 B11R0.147 CNCCC(C)CCC=C(C)C 270004a_106832991635_100000212096 [2,0,0,0,0,0|1,0,1]=4 442 B11R0.147 CNCCC(C)CCC=C(C)C 34a_100102657272_100009814015 [2,0,0,0,0,0|1,0,1]=4 443 B11R0.147 CNCCC(C)CCC=C(C)C 7a_106832991635_100009814015 [2,0,0,0,0,0|1,0,1]=4 444 B11R0.147 COC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000210301 [2,0,0,0,0,0|1,0,0]=3 445 B11R0.147 COC/C=C(/C)\CCC=C(C)C 7a_100016990311_200000210301 [2,0,0,0,0,0|1,0,0]=3 446 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [2,0,0,0,0,0|1,0,0]=3 447 B11R0.147 COCCC(=O)CCC=C(C)C 1458a_100000749529_100011217483 [2,0,0,0,0,0|2,0,0]=4 448 B11R0.147 COCCC(C)CCC=C(C)C 34a_100000017536_200000210301 [2,0,0,0,0,0|1,0,1]=4 449 B11R0.147 COCCC(C)CCC=C(C)C 34a_100138415774_100009814015 [2,0,0,0,0,0|1,0,1]=4 450 B11R0.147 COCCC(C)CCC=C(C)C 7a_100000017536_200000210301 [2,0,0,0,0,0|1,0,1]=4 451 B11R0.147 COCCN(C)CCC=C(C)C 2230a_100000743101_100011217483 [2,0,0,0,0,0|2,0,0]=4 452 B11R0.147 COCCN(C)CCC=C(C)C 269982a_100000743101_100011217483 [2,0,0,0,0,0|2,0,0]=4 453 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_200000210301 [2,0,0,0,0,0|1,0,0]=3 454 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_200000210301_100016991246 [2,0,0,0,0,0|1,0,0]=3 455 B11R0.147 CSCCC(=O)CCC=C(C)C 1458a_100000174002_100011217483 [2,0,0,0,0,0|2,0,0]=4 456 B11R0.147 CSCCC(C)CCC=C(C)C 62a_100009814015_200000210301 [2,0,0,0,0,0|1,0,1]=4 457 B11R0.147 CSCCC(C)CCC=C(C)C 62a_200000210301_100009814015 [2,0,0,0,0,0|1,0,1]=4 458 B11R0.147 CSCCN(C)CCC=C(C)C 2230a_100000686725_100011217483 [2,0,0,0,0,0|2,0,0]=4 459 B11R0.147 CSCCN(C)CCC=C(C)C 269982a_100000686725_100011217483 [2,0,0,0,0,0|2,0,0]=4 460 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [2,0,0,0,0,0|1,0,1]=4 461 B11R0.148 CC(=CCCSCCCC=O)C 62a_100011217483_200011292268 [2,0,0,0,0,0|1,0,1]=4 462 B11R0.148 CC(=CCCSCCCC=O)C 62a_200011292268_100011217483 [2,0,0,0,0,0|1,0,1]=4 463 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [2,0,0,0,0,0|0,0,2]=4 464 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [2,0,0,0,0,0|0,0,2]=4 465 B13R0.1 C#CCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000038162 [1,1,0,0,0,0|0,0,2]=4 466 B13R0.1 C#CCNC/C=C(\C)/CCC=C(C)C 34a_100000212058_100016991246 [1,1,0,0,0,0|0,0,2]=4 467 B13R0.1 C#CCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000184674 [1,1,0,0,0,0|0,0,2]=4 468 B13R0.1 C#CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000184674 [1,1,0,0,0,0|0,0,2]=4 469 B13R0.1 C#CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000038162 [1,1,0,0,0,0|0,0,2]=4 470 B13R0.1 C#CCOC/C=C(\C)/CCC=C(C)C 34a_100000210247_100016991246 [1,1,0,0,0,0|0,0,2]=4 471 B13R0.1 C#CCSC/C=C(\C)/CCC=C(C)C 62a_100000038162_100016991246 [1,1,0,0,0,0|0,0,2]=4 472 B13R0.1 C=CCNC/C=C(\C)/CCC=C(C)C 2230a_100020586998_100016991246 [1,1,0,0,0,0|0,0,1]=3 473 B13R0.1 C=CCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000210623 [1,1,0,0,0,0|0,0,1]=3 474 B13R0.1 C=CCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100015514636 [1,1,0,0,0,0|0,0,1]=3 475 B13R0.1 C=CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100015514636 [1,1,0,0,0,0|0,0,1]=3 476 B13R0.1 C=CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100015514636 [1,1,0,0,0,0|0,0,1]=3 477 B13R0.1 C=CCOC/C=C(\C)/CCC=C(C)C 34a_200000210373_100016991246 [1,1,0,0,0,0|0,0,1]=3 478 B13R0.1 C=CCSC/C=C(\C)/CCC=C(C)C 62a_100000210623_100016991246 [1,1,0,0,0,0|0,0,1]=3 479 B13R0.1 C=CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000210623 [1,1,0,0,0,0|0,0,1]=3 480 B13R0.1 CC(=CCC/C(=C/CNCC#N)/C)C 2230a_200020676162_100011215382 [1,1,0,0,0,0|1,0,1]=4 481 B13R0.1 CC(=CCC/C(=C/CNCC=O)/C)C 2230a_200020676162_200015260668 [1,1,0,0,0,0|0,0,0]=2 482 B13R0.1 CC(=CCC/C(=C/CNCC=O)/C)C 34a_200020676162_200009817547 [1,1,0,0,0,0|0,0,0]=2 483 B13R0.1 CC(=CCC/C(=C/CNCCF)/C)C 2230a_200020676162_100011217306 [1,1,0,0,0,0|1,0,1]=4 484 B13R0.1 CC(=CCC/C(=C/CNCCF)/C)C 34a_100000724931_100016991246 [1,1,0,0,0,0|1,0,1]=4 485 B13R0.1 CC(=CCC/C(=C/CNCCF)/C)C 34a_200020676162_100011217306 [1,1,0,0,0,0|1,0,1]=4 486 B13R0.1 CC(=CCC/C(=C/CNCCO)/C)C 2230a_100016997473_100016991246 [1,1,0,0,0,0|0,0,2]=4 487 B13R0.1 CC(=CCC/C(=C/CNCCO)/C)C 2230a_200020676162_100000211926 [1,1,0,0,0,0|0,0,2]=4 488 B13R0.1 CC(=CCC/C(=C/CNCCO)/C)C 34a_100016990907_100016991246 [1,1,0,0,0,0|0,0,2]=4 489 B13R0.1 CC(=CCC/C(=C/CNCCO)/C)C 34a_200020676162_100000211926 [1,1,0,0,0,0|0,0,2]=4 490 B13R0.1 CC(=CCC/C(=C/COCCBr)/C)C 34a_100000211926_100016991246 [1,1,0,0,0,0|1,0,1]=4 491 B13R0.1 CC(=CCC/C(=C/COCCN)/C)C 34a_100000210304_100016991246 [1,1,0,0,0,0|1,0,1]=4 492 B13R0.1 CC(=CCC/C(=C/CSCC#N)/C)C 62a_100011215382_100016991246 [1,1,0,0,0,0|1,0,1]=4 493 B13R0.1 CC(=CCC/C(=C/CSCC#N)/C)C 62a_100016991246_100011215382 [1,1,0,0,0,0|1,0,1]=4 494 B13R0.1 CC(=CCC/C(=C/CSCC=O)/C)C 62a_100016991246_200015260668 [1,1,0,0,0,0|0,0,0]=2 495 B13R0.1 CC(=CCC/C(=C/CSCC=O)/C)C 62a_200015260668_100016991246 [1,1,0,0,0,0|0,0,0]=2 496 B13R0.1 CC(=CCC/C(=C/CSCCF)/C)C 62a_100011217306_100016991246 [1,1,0,0,0,0|1,0,1]=4 497 B13R0.1 CC(=CCC/C(=C/CSCCF)/C)C 62a_100016991246_100011217306 [1,1,0,0,0,0|1,0,1]=4 498 B13R0.1 CC(=CCC/C(=C/CSCCO)/C)C 62a_100000211926_100016991246 [1,1,0,0,0,0|0,0,2]=4 499 B13R0.1 CC(=CCC/C(=C/CSCCO)/C)C 62a_100016991246_100000211926 [1,1,0,0,0,0|0,0,2]=4 500 B13R0.1 CC(=CCC/C(=C\COCC#N)/C)C 7a_100016990311_100011215382 [1,1,0,0,0,0|1,0,1]=4 501 B13R0.1 CC(=CCC/C(=C\COCC=O)/C)C 34a_100016990311_200009817547 [1,1,0,0,0,0|0,0,0]=2 502 B13R0.1 CC(=CCC/C(=C\COCC=O)/C)C 7a_100016990311_200015260668 [1,1,0,0,0,0|0,0,0]=2 503 B13R0.1 CC(=CCC/C(=C\COCCF)/C)C 34a_100016990311_100011217306 [1,1,0,0,0,0|1,0,1]=4 504 B13R0.1 CC(=CCC/C(=C\COCCF)/C)C 7a_100016990311_100011217306 [1,1,0,0,0,0|1,0,1]=4 505 B13R0.1 CC(=CCC/C(=C\COCCO)/C)C 34a_100016990311_100000211926 [1,1,0,0,0,0|0,0,2]=4 506 B13R0.1 CC(=CCC/C(=C\COCCO)/C)C 7a_100016990311_100000211926 [1,1,0,0,0,0|0,0,2]=4 507 B13R0.1 CC(=CCCC(C)CCOCC=O)C 34a_100000017536_200009817547 [1,1,0,0,0,0|0,0,2]=4 508 B13R0.1 CC(=CCCC(C)CCOCC=O)C 7a_100000017536_200015260668 [1,1,0,0,0,0|0,0,2]=4 509 B13R0.1 CC(=CCCC(C)CCSCC=O)C 62a_100009814015_200015260668 [1,1,0,0,0,0|0,0,2]=4 510 B13R0.1 CC(=CCCC(C)CCSCC=O)C 62a_200015260668_100009814015 [1,1,0,0,0,0|0,0,2]=4 511 B13R0.1 CC(=CCCC(C)OCCCC=O)C 7a_100102619829_200011292268 [1,1,0,0,0,0|0,0,2]=4 512 B13R0.1 CCCCC=CC(=O)CCC=C(C)C 1458a_100016266645_100011217483 [1,1,0,0,0,0|1,0,1]=4 513 B13R0.1 CCCCNN=C(C)CCC=C(C)C 4a_100025702795_100000765506 [1,1,0,0,0,0|1,0,1]=4 514 B13R0.1 CCCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000210303 [1,1,0,0,0,0|0,0,1]=3 515 B13R0.1 CCCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000210303 [1,1,0,0,0,0|0,0,1]=3 516 B13R0.1 CCCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000210303 [1,1,0,0,0,0|0,0,1]=3 517 B13R0.1 CCCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000210303 [1,1,0,0,0,0|0,0,1]=3 518 B13R0.1 CCCOC/C=C(\C)/CCC=C(C)C 34a_100000210258_100016991246 [1,1,0,0,0,0|0,0,1]=3 519 B13R0.1 CCCSC/C=C(\C)/CCC=C(C)C 62a_100000210303_100016991246 [1,1,0,0,0,0|0,0,1]=3 520 B13R0.1 CCCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000210303 [1,1,0,0,0,0|0,0,1]=3 521 B13R0.1 COCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000766300 [1,1,0,0,0,0|1,0,0]=3 522 B13R0.1 COCSC/C=C(\C)/CCC=C(C)C 62a_100000766300_100016991246 [1,1,0,0,0,0|1,0,0]=3 523 B13R0.1 COCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000766300 [1,1,0,0,0,0|1,0,0]=3 524 B13R0.1 CSCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100011218213 [1,1,0,0,0,0|1,0,0]=3 525 B13R0.1 CSCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100011218213 [1,1,0,0,0,0|1,0,0]=3 526 B13R0.1 CSCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100011218213 [1,1,0,0,0,0|1,0,0]=3 527 B13R0.1 CSCSC/C=C(\C)/CCC=C(C)C 62a_100011218213_100016991246 [1,1,0,0,0,0|1,0,0]=3 528 B13R0.1 CSCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100011218213 [1,1,0,0,0,0|1,0,0]=3 529 B13R0.331 C=CCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000210623 [1,1,0,0,0,0|0,0,2]=4 530 B13R0.331 CCCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000210303 [1,1,0,0,0,0|0,0,2]=4 531 B13R0.493 C=CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000185746_100016991246 [1,1,0,0,0,0|0,0,2]=4 532 B13R0.493 CCC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000210414_100016991246 [1,1,0,0,0,0|0,0,2]=4 533 B13R0.493 CCN(C)C/C=C(\C)/CCC=C(C)C 2230a_100000225621_100016991246 [1,1,0,0,0,0|1,0,1]=4 534 B13R0.493 CCN(C)C/C=C(\C)/CCC=C(C)C 269982a_100000225621_100016991246 [1,1,0,0,0,0|1,0,1]=4 535 B13R0.202 CNC(=O)CCCNCCC=C(C)C 2230a_100000740002_100011217483 [1,1,0,0,0,0|1,0,1]=4 536 B13R0.202 CNC(=O)CCCNCCC=C(C)C 34a_100000740002_100011217483 [1,1,0,0,0,0|1,0,1]=4 537 B13R0.202 CNC(=O)CCCSCCC=C(C)C 62a_100000741757_100011217483 [1,1,0,0,0,0|1,0,1]=4 538 B13R0.202 CNC(=O)CCCSCCC=C(C)C 62a_100011217483_100000741757 [1,1,0,0,0,0|1,0,1]=4 539 B13R0.202 COC(=O)CCCSCCC=C(C)C 62a_100011217483_100011218270 [1,1,0,0,0,0|1,0,1]=4 540 B13R0.202 COC(=O)CCCSCCC=C(C)C 62a_100011218270_100011217483 [1,1,0,0,0,0|1,0,1]=4 541 B13R0.208 CNC(=O)CCCC(=O)CC=C(C)C 1458a_100011220947_100000741757 [0,1,0,0,1,0|1,0,1]=4 542 B13R0.208 CNC(=O)CCNC(=O)CC=C(C)C 11a_100000738227_100011220947 [0,1,0,0,1,0|2,0,0]=4 543 B13R0.208 CNC(=O)CCNC(=O)CC=C(C)C 240690a_100000738227_100011220947 [0,1,0,0,1,0|2,0,0]=4 544 B13R0.208 CNC(=O)CCNC(=O)CC=C(C)C 527a_100000738227_100011220947 [0,1,0,0,1,0|2,0,0]=4 545 B13R0.208 COC(=O)CCCC(=O)CC=C(C)C 1458a_100000239890_100000761012 [0,1,0,0,1,0|1,0,1]=4 546 B13R0.208 COC(=O)CCCC(=O)CC=C(C)C 1458a_100011220947_100011218270 [0,1,0,0,1,0|1,0,1]=4 547 B13R0.208 COC(=O)CCCN(C)CC=C(C)C 269982a_100000739225_100000761012 [0,1,0,0,1,0|1,0,1]=4 548 B13R0.208 COC(=O)CCNC(=O)CC=C(C)C 188690a_100000683876_100011220947 [0,1,0,0,1,0|2,0,0]=4 549 B13R0.444 CC(=O)C(C)OC(C)CCC=C(C)C 7a_100102619829_100000179758 [0,1,0,0,1,0|1,0,1]=4 550 B13R0.444 CC(=O)N(C)CC(=O)CCC=C(C)C 1458a_100000194957_100011217483 [0,1,0,0,1,0|2,0,0]=4 551 B13R0.1157 CCN(CCC=C(C)C)CCC(=O)N 2230a_100020645749_100011217483 [0,1,0,0,1,0|2,0,0]=4 552 B13R0.1403 CC(=O)N[C@H](C)C(=O)CCC=C(C)C 1458a_100011504603_100011217483 [0,1,0,0,1,0|2,0,0]=4 553 B13R0.1403 CC(=O)O[C@@H](C)C(=O)CCC=C(C)C 1458a_100009816467_100011217483 [0,1,0,0,1,0|2,0,0]=4 554 B13R0.1426 CC(=CCCC(=O)CCS(=O)(=O)C)C 1458a_100000737124_100011217483 [0,1,0,0,1,0|2,0,0]=4 555 B13R0.1426 CC(=CCCN(C)CCS(=O)(=O)C)C 2230a_100000750128_100011217483 [0,1,0,0,1,0|2,0,0]=4 556 B13R0.1426 CC(=CCCN(C)CCS(=O)(=O)C)C 269982a_100000750128_100011217483 [0,1,0,0,1,0|2,0,0]=4 557 B13R0.1426 CC(=CCCN(C)CCS(=O)(=O)C)C 34a_100000750128_100011217483 [0,1,0,0,1,0|2,0,0]=4 558 B15R0.25 COC(=O)CCNC(=O)CNCC=C(C)C 34a_100000718196_100000230212 [0,1,0,0,0,1|2,0,0]=4 559 B15R0.25 COC(=O)CCNC(=O)COCC=C(C)C 34a_100000753907_100000230212 [0,1,0,0,0,1|2,0,0]=4 560 B15R0.25 COC(=O)CCNC(=O)CSCC=C(C)C 62a_100000230212_100000761012 [0,1,0,0,0,1|2,0,0]=4 561 B15R0.25 COC(=O)CCNC(=O)CSCC=C(C)C 62a_100000761012_100000230212 [0,1,0,0,0,1|2,0,0]=4 562 B15R0.246 C=C(C#N)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000694840 [0,1,0,0,0,1|1,0,1]=4 563 B15R0.246 C=C(C#N)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000694840 [0,1,0,0,0,1|1,0,1]=4 564 B15R0.246 C=C(C#N)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000694840 [0,1,0,0,0,1|1,0,1]=4 565 B15R0.246 C=C(C#N)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000694840 [0,1,0,0,0,1|1,0,1]=4 566 B15R0.246 C=CC(C)COC/C=C(\C)/CCC=C(C)C 34a_100011215527_100016991246 [0,1,0,0,0,1|1,0,1]=4 567 B15R0.246 C=CC(C)COC/C=C(\C)/CCC=C(C)C 7a_100011215527_100016991246 [0,1,0,0,0,1|1,0,1]=4 568 B15R0.246 CC(=CCC/C(=C/CNCC(C)CO)/C)C 34a_100000744482_100016991246 [0,1,0,0,0,1|0,0,2]=4 569 B15R0.246 CC(=CCC/C(=C/CNCC(O)CO)/C)C 2230a_200020676162_100011219619 [0,1,0,0,0,1|0,0,2]=4 570 B15R0.246 CC(=CCC/C(=C/CNCC(O)CO)/C)C 34a_200020676162_100011219619 [0,1,0,0,0,1|0,0,2]=4 571 B15R0.246 CC(=CCC/C(=C/CNC[C@@H](C)CO)/C)C 2230a_200020676162_100000059175 [0,1,0,0,0,1|0,0,2]=4 572 B15R0.246 CC(=CCC/C(=C/CNC[C@@H](C)CO)/C)C 34a_200020676162_100000059175 [0,1,0,0,0,1|0,0,2]=4 573 B15R0.246 CC(=CCC/C(=C/CNC[C@@H](F)CO)/C)C 34a_100015665980_100016991246 [0,1,0,0,0,1|1,0,1]=4 574 B15R0.246 CC(=CCC/C(=C/CNC[C@@H](O)CF)/C)C 2230a_200020676162_100015614560 [0,1,0,0,0,1|0,0,2]=4 575 B15R0.246 CC(=CCC/C(=C/CNC[C@@H](O)CF)/C)C 34a_200020676162_100015614560 [0,1,0,0,0,1|0,0,2]=4 576 B15R0.246 CC(=CCC/C(=C/CNC[C@@H](O)CO)/C)C 2230a_200020676162_100009815848 [0,1,0,0,0,1|0,0,2]=4 577 B15R0.246 CC(=CCC/C(=C/CNC[C@@H](O)CO)/C)C 34a_200020676162_100009815848 [0,1,0,0,0,1|0,0,2]=4 578 B15R0.246 CC(=CCC/C(=C/CNC[C@H](O)CO)/C)C 2230a_100020644852_100016991246 [0,1,0,0,0,1|0,0,2]=4 579 B15R0.246 CC(=CCC/C(=C/COCC(C)CN)/C)C 34a_100000744482_100016991246 [0,1,0,0,0,1|1,0,1]=4 580 B15R0.246 CC(=CCC/C(=C/COCC(Cl)CCl)/C)C 34a_100000033668_100016991246 [0,1,0,0,0,1|1,0,1]=4 581 B15R0.246 CC(=CCC/C(=C/COC[C@H](F)CN)/C)C 34a_100015665980_100016991246 [0,1,0,0,0,1|1,0,1]=4 582 B15R0.246 CC(=CCC/C(=C/CSCC(O)CO)/C)C 62a_100011219619_100016991246 [0,1,0,0,0,1|0,0,2]=4 583 B15R0.246 CC(=CCC/C(=C/CSCC(O)CO)/C)C 62a_100016991246_100011219619 [0,1,0,0,0,1|0,0,2]=4 584 B15R0.246 CC(=CCC/C(=C/CSC[C@@H](C)CO)/C)C 62a_100000059175_100016991246 [0,1,0,0,0,1|0,0,2]=4 585 B15R0.246 CC(=CCC/C(=C/CSC[C@@H](C)CO)/C)C 62a_100016991246_100000059175 [0,1,0,0,0,1|0,0,2]=4 586 B15R0.246 CC(=CCC/C(=C/CSC[C@@H](O)CF)/C)C 62a_100015614560_100016991246 [0,1,0,0,0,1|0,0,2]=4 587 B15R0.246 CC(=CCC/C(=C/CSC[C@@H](O)CF)/C)C 62a_100016991246_100015614560 [0,1,0,0,0,1|0,0,2]=4 588 B15R0.246 CC(=CCC/C(=C/CSC[C@@H](O)CO)/C)C 62a_100009815848_100016991246 [0,1,0,0,0,1|0,0,2]=4 589 B15R0.246 CC(=CCC/C(=C/CSC[C@@H](O)CO)/C)C 62a_100016991246_100009815848 [0,1,0,0,0,1|0,0,2]=4 590 B15R0.246 CC(=CCC/C(=C\COCC(O)CO)/C)C 34a_100016990311_100011219619 [0,1,0,0,0,1|0,0,2]=4 591 B15R0.246 CC(=CCC/C(=C\COCC(O)CO)/C)C 7a_100016990311_100011219619 [0,1,0,0,0,1|0,0,2]=4 592 B15R0.246 CC(=CCC/C(=C\COC[C@@H](C)CO)/C)C 34a_100016990311_100000059175 [0,1,0,0,0,1|0,0,2]=4 593 B15R0.246 CC(=CCC/C(=C\COC[C@@H](C)CO)/C)C 7a_100016990311_100000059175 [0,1,0,0,0,1|0,0,2]=4 594 B15R0.246 CC(=CCC/C(=C\COC[C@@H](O)CF)/C)C 34a_100016990311_100015614560 [0,1,0,0,0,1|0,0,2]=4 595 B15R0.246 CC(=CCC/C(=C\COC[C@@H](O)CF)/C)C 7a_100016990311_100015614560 [0,1,0,0,0,1|0,0,2]=4 596 B15R0.246 CC(=CCC/C(=C\COC[C@@H](O)CO)/C)C 34a_100016990311_100009815848 [0,1,0,0,0,1|0,0,2]=4 597 B15R0.246 CC(=CCC/C(=C\COC[C@@H](O)CO)/C)C 7a_100016990311_100009815848 [0,1,0,0,0,1|0,0,2]=4 598 B15R0.246 CCC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000747405 [0,1,0,0,0,1|0,0,0]=2 599 B15R0.246 CCC(=O)COC/C=C(\C)/CCC=C(C)C 34a_100000725409_100016991246 [0,1,0,0,0,1|0,0,0]=2 600 B15R0.246 CCC(=O)COCCC(C)CCC=C(C)C 34a_100000725409_100009814015 [0,1,0,0,0,1|0,0,2]=4 601 B15R0.246 CCC(=O)COCCC(C)CCC=C(C)C 7a_100000017536_100000747405 [0,1,0,0,0,1|0,0,2]=4 602 B15R0.246 CCC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100000747405_100016991246 [0,1,0,0,0,1|0,0,0]=2 603 B15R0.246 CCC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000747405 [0,1,0,0,0,1|0,0,0]=2 604 B15R0.246 CCC(=O)CSCCC(C)CCC=C(C)C 62a_100000747405_100009814015 [0,1,0,0,0,1|0,0,2]=4 605 B15R0.246 CCC(=O)CSCCC(C)CCC=C(C)C 62a_100009814015_100000747405 [0,1,0,0,0,1|0,0,2]=4 606 B15R0.246 CCC(=O)NCCNC(C)CCC=C(C)C 270004a_100132302217_100000765506 [0,1,0,0,0,1|1,0,1]=4 607 B15R0.246 CCC(=O)NN=CC=C(C)CCC=C(C)C 4a_100000183195_100000211119 [0,1,0,0,0,1|1,0,1]=4 608 B15R0.246 CCC(C)CNC/C=C(\C)/CCC=C(C)C 2230a_100020588543_100016991246 [0,1,0,0,0,1|1,0,1]=4 609 B15R0.246 CCC(C)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000748023 [0,1,0,0,0,1|1,0,1]=4 610 B15R0.246 CCC(C)CNC/C=C(\C)/CCC=C(C)C 270004a_200020676162_100000243153 [0,1,0,0,0,1|1,0,1]=4 611 B15R0.246 CCC(C)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000748023 [0,1,0,0,0,1|1,0,1]=4 612 B15R0.246 CCC(C)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000748023 [0,1,0,0,0,1|1,0,1]=4 613 B15R0.246 CCC(C)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000748023 [0,1,0,0,0,1|1,0,1]=4 614 B15R0.246 CCC(C)CSC/C=C(\C)/CCC=C(C)C 62a_100000748023_100016991246 [0,1,0,0,0,1|1,0,1]=4 615 B15R0.246 CCC(C)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000748023 [0,1,0,0,0,1|1,0,1]=4 616 B15R0.246 CCC(O)CNC/C=C(\C)/CCC=C(C)C 2230a_100011218483_100016991246 [0,1,0,0,0,1|0,0,2]=4 617 B15R0.246 CCC(O)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100011218378 [0,1,0,0,0,1|0,0,2]=4 618 B15R0.246 CCC(O)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100011218378 [0,1,0,0,0,1|0,0,2]=4 619 B15R0.246 CCC(O)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100011218378 [0,1,0,0,0,1|0,0,2]=4 620 B15R0.246 CCC(O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100011218378 [0,1,0,0,0,1|0,0,2]=4 621 B15R0.246 CCC(O)CSC/C=C(\C)/CCC=C(C)C 62a_100011218378_100016991246 [0,1,0,0,0,1|0,0,2]=4 622 B15R0.246 CCC(O)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100011218378 [0,1,0,0,0,1|0,0,2]=4 623 B15R0.246 CC[C@H](C)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100009816398 [0,1,0,0,0,1|1,0,1]=4 624 B15R0.246 CC[C@H](C)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100009816398 [0,1,0,0,0,1|1,0,1]=4 625 B15R0.246 CC[C@H](C)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100009816398 [0,1,0,0,0,1|1,0,1]=4 626 B15R0.246 CC[C@H](C)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100009816398 [0,1,0,0,0,1|1,0,1]=4 627 B15R0.246 CC[C@H](C)COC/C=C(\C)/CCC=C(C)C 7a_100009816381_100016991246 [0,1,0,0,0,1|1,0,1]=4 628 B15R0.246 CC[C@H](C)CSC/C=C(\C)/CCC=C(C)C 62a_100009816398_100016991246 [0,1,0,0,0,1|1,0,1]=4 629 B15R0.246 CC[C@H](C)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100009816398 [0,1,0,0,0,1|1,0,1]=4 630 B15R0.246 CNC(=O)CCCNC(C)CCC=C(C)C 270004a_100000740002_100000765506 [0,1,0,0,0,1|0,0,2]=4 631 B15R0.246 CNC(=O)CCCOC(C)CCC=C(C)C 34a_100102619829_100000741757 [0,1,0,0,0,1|0,0,2]=4 632 B15R0.246 CNC(=O)CCCOC(C)CCC=C(C)C 7a_100102619829_100000741757 [0,1,0,0,0,1|0,0,2]=4 633 B15R0.246 CNC(=O)CCNCC(C)CCC=C(C)C 270004a_100000738227_100000033009 [0,1,0,0,0,1|0,0,2]=4 634 B15R0.246 CNC(=O)CNC/C=C(\C)/CCC=C(C)C 2230a_100000693194_100016991246 [0,1,0,0,0,1|0,0,0]=2 635 B15R0.246 CNC(=O)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000183359 [0,1,0,0,0,1|0,0,0]=2 636 B15R0.246 CNC(=O)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000183359 [0,1,0,0,0,1|0,0,0]=2 637 B15R0.246 CNC(=O)CNCCC(C)CCC=C(C)C 2230a_100000693194_100009814015 [0,1,0,0,0,1|0,0,2]=4 638 B15R0.246 CNC(=O)CNCCC(C)CCC=C(C)C 269862a_100000693194_100000212096 [0,1,0,0,0,1|0,0,2]=4 639 B15R0.246 CNC(=O)CNCCC(C)CCC=C(C)C 270004a_100000693194_100000212096 [0,1,0,0,0,1|0,0,2]=4 640 B15R0.246 CNC(=O)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000183359 [0,1,0,0,0,1|0,0,0]=2 641 B15R0.246 CNC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000183359 [0,1,0,0,0,1|0,0,0]=2 642 B15R0.246 CNC(=O)COC/C=C(\C)/CCC=C(C)C 34a_100000750040_100016991246 [0,1,0,0,0,1|0,0,0]=2 643 B15R0.246 CNC(=O)COCCC(C)CCC=C(C)C 34a_100000017536_100000183359 [0,1,0,0,0,1|0,0,2]=4 644 B15R0.246 CNC(=O)COCCC(C)CCC=C(C)C 34a_100000750040_100009814015 [0,1,0,0,0,1|0,0,2]=4 645 B15R0.246 CNC(=O)COCCC(C)CCC=C(C)C 7a_100000017536_100000183359 [0,1,0,0,0,1|0,0,2]=4 646 B15R0.246 CNC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100000183359_100016991246 [0,1,0,0,0,1|0,0,0]=2 647 B15R0.246 CNC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000183359 [0,1,0,0,0,1|0,0,0]=2 648 B15R0.246 CNC(=O)CSCCC(C)CCC=C(C)C 62a_100000183359_100009814015 [0,1,0,0,0,1|0,0,2]=4 649 B15R0.246 CNC(=O)CSCCC(C)CCC=C(C)C 62a_100009814015_100000183359 [0,1,0,0,0,1|0,0,2]=4 650 B15R0.246 CNC(=O)OCCOC(C)CCC=C(C)C 34a_100102619829_200011997002 [0,1,0,0,0,1|1,0,1]=4 651 B15R0.246 CNC(=O)OCCOC(C)CCC=C(C)C 7a_100102619829_200011997002 [0,1,0,0,0,1|1,0,1]=4 652 B15R0.246 COC(=O)CCCCC(=O)CCC=C(C)C 1458a_100000695723_100011217483 [0,1,0,0,0,1|1,0,1]=4 653 B15R0.246 COC(=O)CCCOC(C)CCC=C(C)C 34a_100102619829_100000742333 [0,1,0,0,0,1|0,0,2]=4 654 B15R0.246 COC(=O)CCCOC(C)CCC=C(C)C 7a_100102619829_100011218270 [0,1,0,0,0,1|0,0,2]=4 655 B15R0.246 COC(=O)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000747449 [0,1,0,0,0,1|0,0,0]=2 656 B15R0.246 COC(=O)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000747449 [0,1,0,0,0,1|0,0,0]=2 657 B15R0.246 COC(=O)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000747449 [0,1,0,0,0,1|0,0,0]=2 658 B15R0.246 COC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000747449 [0,1,0,0,0,1|0,0,0]=2 659 B15R0.246 COC(=O)COCCC(C)CCC=C(C)C 34a_100000017536_100000747449 [0,1,0,0,0,1|0,0,2]=4 660 B15R0.246 COC(=O)COCCC(C)CCC=C(C)C 7a_100000017536_100000747449 [0,1,0,0,0,1|0,0,2]=4 661 B15R0.246 COC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100000747449_100016991246 [0,1,0,0,0,1|0,0,0]=2 662 B15R0.246 COC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000747449 [0,1,0,0,0,1|0,0,0]=2 663 B15R0.246 COC(=O)CSCCC(C)CCC=C(C)C 62a_100000747449_100009814015 [0,1,0,0,0,1|0,0,2]=4 664 B15R0.246 COC(=O)CSCCC(C)CCC=C(C)C 62a_100009814015_100000747449 [0,1,0,0,0,1|0,0,2]=4 665 B15R0.246 COC(=O)NCCCC(=O)CCC=C(C)C 1458a_100000753017_100011217483 [0,1,0,0,0,1|1,0,1]=4 666 B15R0.246 COC(C)COC/C=C(\C)/CCC=C(C)C 34a_100000690652_100016991246 [0,1,0,0,0,1|0,0,2]=4 667 B15R0.246 CO[C@H](C)CNC/C=C(\C)/CCC=C(C)C 2230a_100020591295_100016991246 [0,1,0,0,0,1|0,0,2]=4 668 B15R0.2650 CC(=CCC/C(=C/CNCC(C)(C)C)/C)C 2230a_100000743828_100016991246 [0,1,0,0,0,1|1,0,1]=4 669 B15R0.2650 CC(=CCC/C(=C/CNCC(C)(C)C)/C)C 270004a_200020676162_100011204126 [0,1,0,0,0,1|1,0,1]=4 670 B15R0.2650 CC(=CCC/C(=C/CNCC(C)(C)C)/C)C 34a_200020676162_100011219605 [0,1,0,0,0,1|1,0,1]=4 671 B15R0.2650 CC(=CCC/C(=C/CNCC(C)(C)F)/C)C 2230a_100020643315_100016991246 [0,1,0,0,0,1|1,0,1]=4 672 B15R0.2650 CC(=CCC/C(=C/CNCC(C)(C)F)/C)C 34a_200020676162_100011997219 [0,1,0,0,0,1|1,0,1]=4 673 B15R0.2650 CC(=CCC/C(=C/CNCC(C)(C)O)/C)C 2230a_100000751335_100016991246 [0,1,0,0,0,1|0,0,2]=4 674 B15R0.2650 CC(=CCC/C(=C/CNCC(C)(C)O)/C)C 34a_200020676162_100000764493 [0,1,0,0,0,1|0,0,2]=4 675 B15R0.2650 CC(=CCC/C(=C/CNCS(=O)(=O)[O-])/C)C 34a_200020676162_100009817235 [0,1,0,0,0,1|2,0,0]=4 676 B15R0.2650 CC(=CCC/C(=C/CNC[Si](C)(C)C)/C)C 2230a_200020676162_100000037933 [0,1,0,0,0,1|1,1,0]=4 677 B15R0.2650 CC(=CCC/C(=C/COCC(C)(C)F)/C)C 34a_100000716592_100016991246 [0,1,0,0,0,1|1,0,1]=4 678 B15R0.2650 CC(=CCC/C(=C/COCC(C)(F)F)/C)C 34a_100000068830_100016991246 [0,1,0,0,0,1|1,0,1]=4 679 B15R0.2650 CC(=CCC/C(=C/CSCC(C)(C)C)/C)C 62a_100011219605_100016991246 [0,1,0,0,0,1|1,0,1]=4 680 B15R0.2650 CC(=CCC/C(=C/CSCC(C)(C)C)/C)C 62a_100016991246_100011219605 [0,1,0,0,0,1|1,0,1]=4 681 B15R0.2650 CC(=CCC/C(=C/CSCC(C)(C)F)/C)C 62a_100011997219_100016991246 [0,1,0,0,0,1|1,0,1]=4 682 B15R0.2650 CC(=CCC/C(=C/CSCC(C)(C)F)/C)C 62a_100016991246_100011997219 [0,1,0,0,0,1|1,0,1]=4 683 B15R0.2650 CC(=CCC/C(=C/CSCC(C)(C)O)/C)C 62a_100000764493_100016991246 [0,1,0,0,0,1|0,0,2]=4 684 B15R0.2650 CC(=CCC/C(=C/CSCC(C)(C)O)/C)C 62a_100016991246_100000764493 [0,1,0,0,0,1|0,0,2]=4 685 B15R0.2650 CC(=CCC/C(=C/CSCS(=O)(=O)N)/C)C 62a_100000741382_100016991246 [0,1,0,0,0,1|2,0,0]=4 686 B15R0.2650 CC(=CCC/C(=C/CSCS(=O)(=O)N)/C)C 62a_100016991246_100000741382 [0,1,0,0,0,1|2,0,0]=4 687 B15R0.2650 CC(=CCC/C(=C/CSCS(=O)(=O)[O-])/C)C 62a_100009817235_100016991246 [0,1,0,0,0,1|2,0,0]=4 688 B15R0.2650 CC(=CCC/C(=C/CSCS(=O)(=O)[O-])/C)C 62a_100016991246_100009817235 [0,1,0,0,0,1|2,0,0]=4 689 B15R0.2650 CC(=CCC/C(=C/CSC[N+](C)(C)C)/C)C 62a_100016991246_200000036245 [0,1,0,0,0,1|2,0,0]=4 690 B15R0.2650 CC(=CCC/C(=C/CSC[N+](C)(C)C)/C)C 62a_200000036245_100016991246 [0,1,0,0,0,1|2,0,0]=4 691 B15R0.2650 CC(=CCC/C(=C/CSC[Si](C)(C)C)/C)C 62a_100000037933_100016991246 [0,1,0,0,0,1|1,1,0]=4 692 B15R0.2650 CC(=CCC/C(=C/CSC[Si](C)(C)C)/C)C 62a_100016991246_100000037933 [0,1,0,0,0,1|1,1,0]=4 693 B15R0.2650 CC(=CCC/C(=C\COCC(C)(C)C)/C)C 34a_100016990311_100011219605 [0,1,0,0,0,1|1,0,1]=4 694 B15R0.2650 CC(=CCC/C(=C\COCC(C)(C)F)/C)C 34a_100016990311_100011997219 [0,1,0,0,0,1|1,0,1]=4 695 B15R0.2650 CC(=CCC/C(=C\COCC(C)(C)O)/C)C 34a_100016990311_100000764493 [0,1,0,0,0,1|0,0,2]=4 696 B15R0.2650 CC(=CCC/C(=C\COCC(C)(C)O)/C)C 7a_100016990311_100000764493 [0,1,0,0,0,1|0,0,2]=4 697 B15R0.2650 CC(=CCC/C(=C\COCS(=O)(=O)[O-])/C)C 34a_100016990311_100009817235 [0,1,0,0,0,1|2,0,0]=4 698 B15R0.2650 CC(=CCC/C(=C\COC[Si](C)(C)C)/C)C 7a_100016990311_100000233785 [0,1,0,0,0,1|1,1,0]=4 699 B15R0.2721 C=C(C)CN(C)C/C=C(\C)/CCC=C(C)C 2230a_100000225649_100016991246 [0,1,0,0,0,1|1,0,0]=3 700 B15R0.2721 C=C(C)CN(C)C/C=C(\C)/CCC=C(C)C 269982a_100000225649_100016991246 [0,1,0,0,0,1|1,0,0]=3 701 B15R0.2721 CC(=CCC/C(=C/CC(=O)C=C(C)C)/C)C 1458a_100000211388_100016991246 [0,1,0,0,0,1|1,0,1]=4 702 B15R0.2721 CC(=CCC/C(=C/CC(=O)C=C(C)Cl)/C)C 1458a_200042562850_100016991246 [0,1,0,0,0,1|1,0,1]=4 703 B15R0.2721 CC(=CCC/C(=C/CC(=O)C=C(C)I)/C)C 1458a_100025716642_100016991246 [0,1,0,0,0,1|1,0,1]=4 704 B15R0.2721 CC(=CCC/C(=C/CC(=O)CC(=O)N)/C)C 1458a_100134613110_100016991246 [0,1,0,0,0,1|1,0,0]=3 705 B15R0.2721 CC(=CCC/C(=C/CC(=O)CC(C)C)/C)C 1458a_100000210554_100016991246 [0,1,0,0,0,1|1,0,1]=4 706 B15R0.2721 CC(=CCC/C(=C/CC(=O)CN(C)C)/C)C 1458a_100000750896_100016991246 [0,1,0,0,0,1|2,0,0]=4 707 B15R0.2721 CC(=CCC/C(=C/CC(=O)C[C@@H](C)O)/C)C 1458a_100011933948_100016991246 [0,1,0,0,0,1|0,0,2]=4 708 B15R0.2721 CC(=CCC/C(=C/CC(=O)C[S+](C)C)/C)C 1458a_200159257847_100016991246 [0,1,0,0,0,1|2,0,0]=4 709 B15R0.2721 CC(=CCC/C(=C/CN(C)CC(=O)N)/C)C 2230a_100000739694_100016991246 [0,1,0,0,0,1|1,0,0]=3 710 B15R0.2721 CC(=CCC/C(=C/CN(C)CC(=O)O)/C)C 269956a_100000746989_100016991246 [0,1,0,0,0,1|1,0,0]=3 711 B15R0.2721 CC(=CCC/C(=C/CN(C)CC(C)C)/C)C 2230a_100000747067_100016991246 [0,1,0,0,0,1|1,0,1]=4 712 B15R0.2721 CC(=CCC/C(=C/CN(C)CC(C)C)/C)C 269982a_100000747067_100016991246 [0,1,0,0,0,1|1,0,1]=4 713 B15R0.2721 CC(=CCC/C(=C/CN(C)CC(C)O)/C)C 2230a_100000227577_100016991246 [0,1,0,0,0,1|0,0,2]=4 714 B15R0.2721 CC(=CCC/C(=C/CN(C)CC(C)O)/C)C 269982a_100000227577_100016991246 [0,1,0,0,0,1|0,0,2]=4 715 B15R0.2722 C=C(C)C(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000185857 [0,1,0,0,0,1|1,0,1]=4 716 B15R0.2722 C=C(C)C(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000185857 [0,1,0,0,0,1|1,0,1]=4 717 B15R0.2722 CC(=CCC/C(=C/CNC(C)C(=O)N)/C)C 2230a_200020676162_100000702099 [0,1,0,0,0,1|1,0,0]=3 718 B15R0.2722 CC(=CCC/C(=C/CNC(C)C(=O)N)/C)C 34a_200020676162_100000702099 [0,1,0,0,0,1|1,0,0]=3 719 B15R0.2722 CC(=CCC/C(=C/CNC(C)C(C)C)/C)C 2230a_100000211541_100016991246 [0,1,0,0,0,1|1,0,1]=4 720 B15R0.2722 CC(=CCC/C(=C/CNC(F)C(=O)N)/C)C 2230a_200020676162_100009813875 [0,1,0,0,0,1|1,0,0]=3 721 B15R0.2722 CC(=CCC/C(=C/CNC(F)C(=O)N)/C)C 34a_200020676162_100009813875 [0,1,0,0,0,1|1,0,0]=3 722 B15R0.2722 CC(=CCC/C(=C/CNC(F)C(=O)[O-])/C)C 34a_200020676162_100020610796 [0,1,0,0,0,1|1,0,0]=3 723 B15R0.2722 CC(=CCC/C(=C/CN[C@@H](C)C(=O)O)/C)C 269956a_100000743915_100016991246 [0,1,0,0,0,1|1,0,0]=3 724 B15R0.2722 CC(=CCC/C(=C/CN[C@H](C)C(=O)N)/C)C 2230a_100000119354_100016991246 [0,1,0,0,0,1|1,0,0]=3 725 B15R0.2722 CC(=CCC/C(=C/CN[C@H](C)C(=O)N)/C)C 34a_100000119354_100016991246 [0,1,0,0,0,1|1,0,0]=3 726 B15R0.2722 CC(=CCC/C(=C/COC(C)C(C)C)/C)C 7a_100000748068_100016991246 [0,1,0,0,0,1|1,0,1]=4 727 B15R0.2722 CC(=CCC/C(=C/CO[C@@H](C)C(=O)[O-])/C)C 7a_217856618621_100016991246 [0,1,0,0,0,1|1,0,0]=3 728 B15R0.2722 CC(=CCC/C(=C/CO[C@H](C)C(=O)N)/C)C 34a_100000731257_100016991246 [0,1,0,0,0,1|1,0,0]=3 729 B15R0.2722 CC(=CCC/C(=C/CO[C@H](C)C(=O)N)/C)C 7a_100000731257_100016991246 [0,1,0,0,0,1|1,0,0]=3 730 B15R0.2722 CC(=CCC/C(=C/CSC(C)C(=O)N)/C)C 62a_100000702099_100016991246 [0,1,0,0,0,1|1,0,0]=3 731 B15R0.2722 CC(=CCC/C(=C/CSC(C)C(=O)N)/C)C 62a_100016991246_100000702099 [0,1,0,0,0,1|1,0,0]=3 732 B15R0.2722 CC(=CCC/C(=C/CSC(F)C(=O)N)/C)C 62a_100009813875_100016991246 [0,1,0,0,0,1|1,0,0]=3 733 B15R0.2722 CC(=CCC/C(=C/CSC(F)C(=O)N)/C)C 62a_100016991246_100009813875 [0,1,0,0,0,1|1,0,0]=3 734 B15R0.2722 CC(=CCC/C(=C/CSC(F)C(=O)[O-])/C)C 62a_100016991246_100020610796 [0,1,0,0,0,1|1,0,0]=3 735 B15R0.2722 CC(=CCC/C(=C/CSC(F)C(=O)[O-])/C)C 62a_100020610796_100016991246 [0,1,0,0,0,1|1,0,0]=3 736 B15R0.2722 CC(=CCC/C(=C\COC(C)C(=O)N)/C)C 34a_100016990311_100000702099 [0,1,0,0,0,1|1,0,0]=3 737 B15R0.2722 CC(=CCC/C(=C\COC(C)C(=O)N)/C)C 7a_100016990311_100000702099 [0,1,0,0,0,1|1,0,0]=3 738 B15R0.2722 CC(=CCC/C(=C\COC(F)C(=O)N)/C)C 34a_100016990311_100009813875 [0,1,0,0,0,1|1,0,0]=3 739 B15R0.2722 CC(=CCC/C(=C\COC(F)C(=O)N)/C)C 7a_100016990311_100009813875 [0,1,0,0,0,1|1,0,0]=3 740 B15R0.2722 CC(=CCC/C(=C\COC(F)C(=O)[O-])/C)C 34a_100016990311_100020610796 [0,1,0,0,0,1|1,0,0]=3 741 B15R0.2722 CC(=CCCC(=CCCC(C)N(C)C)C)C 270004a_100102631434_100020644987 [0,1,0,0,0,1|2,0,0]=4 742 B15R0.2722 CC(=O)C(C)NC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100009814033 [0,1,0,0,0,1|0,0,0]=2 743 B15R0.2722 CC(=O)C(C)OC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000179758 [0,1,0,0,0,1|0,0,0]=2 744 B15R0.2722 CC(=O)C(C)OC/C=C(\C)/CCC=C(C)C 34a_100000212229_100016991246 [0,1,0,0,0,1|0,0,0]=2 745 B15R0.2722 CC(=O)C(C)OCCC(C)CCC=C(C)C 34a_100000212229_100009814015 [0,1,0,0,0,1|0,0,2]=4 746 B15R0.2722 CC(=O)C(C)OCCC(C)CCC=C(C)C 7a_100000017536_100000179758 [0,1,0,0,0,1|0,0,2]=4 747 B15R0.2722 CC(=O)C(C)SC/C=C(\C)/CCC=C(C)C 62a_100009814033_100016991246 [0,1,0,0,0,1|0,0,0]=2 748 B15R0.2722 CC(=O)C(C)SC/C=C(\C)/CCC=C(C)C 62a_100016991246_100009814033 [0,1,0,0,0,1|0,0,0]=2 749 B15R0.2722 CC(=O)C(C)SCCC(C)CCC=C(C)C 62a_100009814015_100009814033 [0,1,0,0,0,1|0,0,2]=4 750 B15R0.2722 CC(=O)C(C)SCCC(C)CCC=C(C)C 62a_100009814033_100009814015 [0,1,0,0,0,1|0,0,2]=4 751 B15R0.2724 C=C(C)CCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000730704 [0,1,0,0,0,1|1,0,0]=3 752 B15R0.2724 C=C(C)CCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000730704 [0,1,0,0,0,1|1,0,1]=4 753 B15R0.2724 C=C(C)CNC(=O)C=C(C)CCC=C(C)C 11a_100000765925_100016995320 [0,1,0,0,0,1|1,0,1]=4 754 B15R0.2724 C=C(C)CNC(=O)C=C(C)CCC=C(C)C 1626a_100000765925_100016995320 [0,1,0,0,0,1|1,0,1]=4 755 B15R0.2724 C=C(C)CNC(=O)C=C(C)CCC=C(C)C 240690a_100000765925_100016995320 [0,1,0,0,0,1|1,0,1]=4 756 B15R0.2724 CC(=CCCC(=CC(=O)CC=C(C)C)C)C 1458a_100016995320_100000761012 [0,1,0,0,0,1|1,0,1]=4 757 B15R0.2724 CC(=CCCC(=CC(=O)CCC(C)C)C)C 1458a_100016995320_100000210312 [0,1,0,0,0,1|1,0,1]=4 758 B15R0.2724 CC(=CCCC(=CC(=O)CCC(C)O)C)C 1458a_100016995320_100012276601 [0,1,0,0,0,1|0,0,2]=4 759 B15R0.2724 CC(=CCCC(=CC(=O)NCC(=O)N)C)C 11a_100000711301_100016995320 [0,1,0,0,0,1|1,0,1]=4 760 B15R0.2724 CC(=CCCC(=CC(=O)NCC(=O)N)C)C 240690a_100000711301_100016995320 [0,1,0,0,0,1|1,0,1]=4 761 B15R0.2724 CC(=O)NNC(=O)C=C(C)CCC=C(C)C 22a_100000189765_100016995320 [0,1,0,0,0,1|1,0,1]=4 762 B15R0.1697 C/C=C(\C)/C(=O)C/C=C(\C)/CCC=C(C)C 1458a_100020587367_100016991246 [0,2,0,0,0,0|1,0,1]=4 763 B15R0.1697 CNC(=O)C(=O)C/C=C(\C)/CCC=C(C)C 1458a_100011218921_100016991246 [0,2,0,0,0,0|0,0,1]=3 764 B15R0.1697 CNC(=O)C(C)CNC(C)CCC=C(C)C 270004a_100015187722_100000765506 [0,2,0,0,0,0|1,0,1]=4 765 B15R0.1697 COC(=O)C(C)COC(C)CCC=C(C)C 34a_100102619829_100000698445 [0,2,0,0,0,0|1,0,1]=4 766 B15R0.2637 CC(=CCCC(=CC(=O)C(C)C(=O)N)C)C 1458a_100016995320_100000702099 [0,2,0,0,0,0|1,0,1]=4 767 B15R0.2637 CC(=CCCC(=CC(=O)C(F)C(=O)N)C)C 1458a_100016995320_100009813875 [0,2,0,0,0,0|1,0,1]=4 768 B15R0.2637 CC(=CCCC(=CC(=O)C(F)C(=O)[O-])C)C 1458a_100016995320_100020610796 [0,2,0,0,0,0|1,0,1]=4 769 B15R0.2637 CC(=O)C(C)C(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000179758 [0,2,0,0,0,0|0,0,1]=3 770 B15R0.110 C#CCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100011220946 [0,2,0,0,0,0|1,0,0]=3 771 B15R0.110 C#CCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100011220946 [0,2,0,0,0,0|1,0,0]=3 772 B15R0.110 C=CCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210193 [0,2,0,0,0,0|1,0,0]=3 773 B15R0.110 C=CCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210193 [0,2,0,0,0,0|1,0,0]=3 774 B15R0.110 C=CCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000210193 [0,2,0,0,0,0|1,0,0]=3 775 B15R0.110 CC(=CCC/C(=C/CNC(=O)C=CBr)/C)C 1626a_200020676162_100016273825 [0,2,0,0,0,0|1,0,1]=4 776 B15R0.110 CC(=CCC/C(=C/CNC(=O)C=CCl)/C)C 11a_200020676162_200016279998 [0,2,0,0,0,0|1,0,1]=4 777 B15R0.110 CC(=CCC/C(=C/CNC(=O)C=CCl)/C)C 1626a_200020676162_200016279998 [0,2,0,0,0,0|1,0,1]=4 778 B15R0.110 CC(=CCC/C(=C/CNC(=O)C=CI)/C)C 1626a_200020676162_100016256311 [0,2,0,0,0,0|1,0,1]=4 779 B15R0.110 CC(=CCC/C(=C/CNC(=O)CC#N)/C)C 1626a_200020676162_100051588842 [0,2,0,0,0,0|1,0,0]=3 780 B15R0.110 CC=CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210699 [0,2,0,0,0,0|1,0,0]=3 781 B15R0.110 CC=CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210699 [0,2,0,0,0,0|1,0,0]=3 782 B15R0.110 CCCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000211992 [0,2,0,0,0,0|1,0,0]=3 783 B15R0.110 CCCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000211992 [0,2,0,0,0,0|1,0,0]=3 784 B15R0.110 CCCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000211992 [0,2,0,0,0,0|1,0,0]=3 785 B15R0.110 CCNC(=O)CCCC(=O)CCC=C(C)C 1458a_100000199580_100011217483 [0,2,0,0,0,0|1,0,1]=4 786 B15R0.110 CCNC(=O)CCNC(C)CCC=C(C)C 270004a_100025743525_100000765506 [0,2,0,0,0,0|1,0,1]=4 787 B15R0.110 CCNC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000737597 [0,2,0,0,0,0|1,0,1]=4 788 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_100015525214_200020676162 [0,2,0,0,0,0|1,0,0]=3 789 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_200020676162_100015525214 [0,2,0,0,0,0|1,0,0]=3 790 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_100015525214_200020676162 [0,2,0,0,0,0|1,0,0]=3 791 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_200020676162_100015525214 [0,2,0,0,0,0|1,0,0]=3 792 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_100015525214_200020676162 [0,2,0,0,0,0|1,0,0]=3 793 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_200020676162_100015525214 [0,2,0,0,0,0|1,0,0]=3 794 B15R0.110 CCNC(C)CCC=C(C)CCC=C(C)C 270004a_100015525214_100020644987 [0,2,0,0,0,0|1,0,1]=4 795 B15R0.110 CCOC(=O)CCCC(=O)CCC=C(C)C 1458a_100000210991_100011217483 [0,2,0,0,0,0|1,0,1]=4 796 B15R0.110 CCOC(=O)CCOC(C)CCC=C(C)C 34a_100102619829_100000765890 [0,2,0,0,0,0|1,0,1]=4 797 B15R0.110 CCOC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100011206558 [0,2,0,0,0,0|1,0,1]=4 798 B15R0.110 CNNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_200020676162_100016993582 [0,2,0,0,0,0|1,0,0]=3 799 B15R0.110 CNNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_100016993582_200020676162 [0,2,0,0,0,0|1,0,0]=3 800 B15R0.110 CNNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_200020676162_100016993582 [0,2,0,0,0,0|1,0,0]=3 801 B15R0.110 COCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210968 [0,2,0,0,0,0|1,0,0]=3 802 B15R0.110 COCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210968 [0,2,0,0,0,0|1,0,0]=3 803 B15R0.110 COCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000210968 [0,2,0,0,0,0|1,0,0]=3 804 B15R0.110 CSCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000184570 [0,2,0,0,0,0|1,0,0]=3 805 B15R0.110 CSCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000184570 [0,2,0,0,0,0|1,0,0]=3 806 B15R0.110 CSCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000184570 [0,2,0,0,0,0|1,0,0]=3 807 B15R0.303 CCC(=O)CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000747405 [0,2,0,0,0,0|0,0,1]=3 808 B15R0.303 CNC(=O)CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000183359 [0,2,0,0,0,0|0,0,1]=3 809 B15R0.303 COC(=O)CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000747449 [0,2,0,0,0,0|0,0,1]=3 810 B15R0.303 COC(=O)CC(C)CC(=O)CCC=C(C)C 1458a_100000732146_100011217483 [0,2,0,0,0,0|1,0,1]=4 811 B15R0.303 COC(=O)CC(C)OC(C)CCC=C(C)C 34a_100102619829_100009817358 [0,2,0,0,0,0|1,0,1]=4 812 B15R0.303 COC(=O)CC(C)OC(C)CCC=C(C)C 7a_100102619829_100009817358 [0,2,0,0,0,0|1,0,1]=4 813 B15R0.331 CC(=CCC/C(=C/CNS(=O)(=O)CCl)/C)C 270084a_200020676162_100000031410 [0,2,0,0,0,0|2,0,0]=4 814 B15R0.331 CC(=CCC/C(=C/CNS(=O)(=O)CCl)/C)C 274078a_200020676162_100000031410 [0,2,0,0,0,0|2,0,0]=4 815 B15R0.331 CCS(=O)(=O)NC/C=C(\C)/CCC=C(C)C 270084a_200020676162_100000211323 [0,2,0,0,0,0|2,0,0]=4 816 B15R0.331 CCS(=O)(=O)NC/C=C(\C)/CCC=C(C)C 274078a_200020676162_100000211323 [0,2,0,0,0,0|2,0,0]=4 817 B15R0.331 CCS(=O)(=O)NC/C=C(\C)/CCC=C(C)C 40a_200020676162_100000053943 [0,2,0,0,0,0|2,0,0]=4 818 B15R0.3302 CNC(=O)CCN(C)C(C)CCC=C(C)C 270004a_100000750875_100000765506 [0,2,0,0,0,0|1,0,1]=4 819 B15R0.12897 C#CC(C)(CCC=C(C)C)OCCC(=O)C 7a_100102524899_100000053229 [0,2,0,0,0,0|1,0,1]=4 820 B15R0.12897 C=CC(C)(CCC=C(C)C)OCCC(=O)C 7a_100000033386_100000053229 [0,2,0,0,0,0|1,0,1]=4 821 B15R0.12897 CCC(C)(CCC=C(C)C)OCCC(=O)C 7a_100000035081_100000053229 [0,2,0,0,0,0|1,0,1]=4 822 B13R1.149 CC(=O)CCCN1CCC=C(C1)C 269982a_100000725631_100011215641 [1,0,0,1,0,0|1,0,1]=4 823 B13R1.149 CC(=O)CCCN1CCC=C(C1)C 34a_100000725631_100000685027 [1,0,0,1,0,0|1,0,1]=4 824 B13R1.342 CC(=O)CCCC(=O)C1CC=CC1 1458a_100000759439_100011215641 [1,0,0,1,0,0|1,0,1]=4 825 B13R1.3787 CC(=O)CCc1c(cccc1C)C 1458a_200011998103_200000210301 [1,0,0,1,0,0|0,0,2]=4 826 B13R1.3787 Cc1cccc(c1CCC(=O)[13CH3])C 1458a_200011998103_200025704644 [1,0,0,1,0,0|0,0,2]=4 827 B13R1.128 CC(=CCCOC1CCC(=O)C1)C 34a_100012614533_100011217483 [1,0,0,1,0,0|1,0,1]=4 828 B13R1.292 CC(=CCCOCC1CC(=O)C1)C 34a_100000101936_100011217483 [1,0,0,1,0,0|1,0,1]=4 829 B13R1.292 CC(=CCCSCC1CC(=O)C1)C 62a_100009874392_100011217483 [1,0,0,1,0,0|1,0,1]=4 830 B13R1.292 CC(=CCCSCC1CC(=O)C1)C 62a_100011217483_100009874392 [1,0,0,1,0,0|1,0,1]=4 831 B13R1.293 CC(=CCC(=O)CC1CC(=O)C1)C 1458a_100011220947_100009874392 [0,0,0,1,1,0|1,0,1]=4 832 B13R1.513 C=C1CCN(CC1)CCC=C(C)C 2230a_100000752442_100011217483 [0,0,0,1,1,0|2,0,0]=4 833 B13R1.513 C=C1CCN(CC1)CCC=C(C)C 269982a_100000752442_100011217483 [0,0,0,1,1,0|2,0,0]=4 834 B13R1.513 C=C1CCN(CC1)CCC=C(C)C 34a_100000752442_100011217483 [0,0,0,1,1,0|2,0,0]=4 835 B13R1.513 CC(=CCCN1CC=C(CC1)C)C 2230a_100000693516_100011217483 [0,0,0,1,1,0|2,0,0]=4 836 B13R1.513 CC(=CCCN1CC=C(CC1)C)C 269982a_100000693516_100011217483 [0,0,0,1,1,0|2,0,0]=4 837 B13R1.513 CC(=CCCN1CC=C(CC1)C)C 34a_100000693516_100011217483 [0,0,0,1,1,0|2,0,0]=4 838 B13R1.513 CC(=CCCN1CCS(=O)CC1)C 2230a_100000752083_100011217483 [0,0,0,1,1,0|2,0,0]=4 839 B13R1.513 CC(=CCCN1CCS(=O)CC1)C 269982a_100000752083_100011217483 [0,0,0,1,1,0|2,0,0]=4 840 B13R1.513 CC(=CCOC1CCC(=O)CC1)C 34a_100000764474_100000761012 [0,0,0,1,1,0|1,0,1]=4 841 B13R1.513 CC(=CCOC1CCC(=O)CC1)C 7a_100000764474_100000761012 [0,0,0,1,1,0|1,0,1]=4 842 B13R1.513 CC(=O)CCCN1CC=C(CC1)C 269982a_100000693516_100011215641 [0,0,0,1,1,0|1,0,1]=4 843 B13R1.513 CC(=O)CCCN1CC=C(CC1)C 34a_100000693516_100000685027 [0,0,0,1,1,0|1,0,1]=4 844 B13R1.893 CC(=O)CCc1cc(ccc1C)C 1458a_100011485725_200000210301 [0,0,0,1,1,0|0,0,2]=4 845 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])C 1458a_100011485725_200025704644 [0,0,0,1,1,0|0,0,2]=4 846 B13R1.1989 CC(=CCCN1CC(C1)C(=O)N)C 34a_100025753142_100011217483 [0,0,0,1,1,0|2,0,0]=4 847 B13R1.3835 C=C1CC(C1)C(=O)CCC=C(C)C 1458a_100000065620_100011217483 [0,0,0,1,1,0|2,0,0]=4 848 B13R1.3835 CC(=CCCC(=O)[C@@H]1CC(=O)N1)C 1458a_100016090685_100011217483 [0,0,0,1,1,0|2,0,0]=4 849 B15R1.6526 CC(=CCC/C(=C/CN[C@@H]1C[C@@H]1F)/C)C 2230a_100015190264_100016991246 [0,0,0,1,0,1|1,0,1]=4 850 B15R1.6526 CC(=CCC/C(=C/CN[C@@H]1C[C@H]1F)/C)C 2230a_100025746932_100016991246 [0,0,0,1,0,1|1,0,1]=4 851 B15R1.6526 CC(=CCC/C(=C/CN[C@@H]1C[C@H]1F)/C)C 34a_100025746932_100016991246 [0,0,0,1,0,1|1,0,1]=4 852 B15R1.6713 CC(=CCC/C(=C/CN1CC(C1)C)/C)C 2230a_100000702820_100016991246 [0,0,0,1,0,1|1,0,1]=4 853 B15R1.6713 CC(=CCC/C(=C/CN1CC(C1)C)/C)C 269982a_100000702820_100016991246 [0,0,0,1,0,1|1,0,1]=4 854 B15R1.6713 CC(=CCC/C(=C/CN1CC(C1)C)/C)C 34a_100000702820_100016991246 [0,0,0,1,0,1|1,0,1]=4 855 B15R1.6713 CC(=CCC/C(=C/CN1CC(C1)F)/C)C 2230a_100000690557_100016991246 [0,0,0,1,0,1|1,0,1]=4 856 B15R1.6713 CC(=CCC/C(=C/CN1CC(C1)F)/C)C 269982a_100000690557_100016991246 [0,0,0,1,0,1|1,0,1]=4 857 B15R1.6713 CC(=CCC/C(=C/CN1CC(C1)F)/C)C 34a_100000690557_100016991246 [0,0,0,1,0,1|1,0,1]=4 858 B15R1.6713 CC(=CCC/C(=C/CN1CC(C1)O)/C)C 269982a_100000749847_100016991246 [0,0,0,1,0,1|0,0,2]=4 859 B15R1.6713 CC(=CCCC(C)OCC1CC(=O)C1)C 7a_100102619829_100009874392 [0,0,0,1,0,1|0,0,2]=4 860 B15R1.8273 CC(=CCCC(=O)C1CCNC(=O)C1)C 1458a_100000132800_100011217483 [0,0,0,1,0,1|1,0,1]=4 861 B15R1.8273 CC(=CCCC(C)N1CCNC(=O)C1)C 270004a_100000184651_100000765506 [0,0,0,1,0,1|1,0,1]=4 862 B15R1.8273 CC(=CCCC(C)N1CCOC(=O)C1)C 270004a_100000131268_100000765506 [0,0,0,1,0,1|1,0,1]=4 863 B15R1.8879 CC(=O)N[C@H]1CCN(C1)CCC=C(C)C 2230a_100016989438_100011217483 [0,0,0,1,0,1|1,0,1]=4 864 B15R1.8879 CC(=O)N[C@H]1CCN(C1)CCC=C(C)C 269982a_100016989438_100011217483 [0,0,0,1,0,1|1,0,1]=4 865 B15R1.8994 CC(=CCC/C(=C/CNCC1CC1)/C)C 2230a_100000735609_100016991246 [0,0,0,1,0,1|1,0,1]=4 866 B15R1.8994 CC(=CCC/C(=C/CNCC1CC1)/C)C 2230a_200020676162_100000742324 [0,0,0,1,0,1|1,0,1]=4 867 B15R1.8994 CC(=CCC/C(=C/CNCC1CC1)/C)C 34a_100000735609_100016991246 [0,0,0,1,0,1|1,0,1]=4 868 B15R1.8994 CC(=CCC/C(=C/CNCC1CC1)/C)C 34a_200020676162_100000742324 [0,0,0,1,0,1|1,0,1]=4 869 B15R1.8994 CC(=CCC/C(=C/CNCC1CO1)/C)C 2230a_200020676162_100011216344 [0,0,0,1,0,1|0,0,2]=4 870 B15R1.8994 CC(=CCC/C(=C/CNCC1CO1)/C)C 34a_200020676162_102125554688 [0,0,0,1,0,1|0,0,2]=4 871 B15R1.8994 CC(=CCC/C(=C/COCC1CC1)/C)C 34a_100000211283_100016991246 [0,0,0,1,0,1|1,0,1]=4 872 B15R1.8994 CC(=CCC/C(=C/COC[C@@H]1CO1)/C)C 34a_100000757423_100016991246 [0,0,0,1,0,1|0,0,2]=4 873 B15R1.8994 CC(=CCC/C(=C/CSCC1CC1)/C)C 62a_100000756562_100016991246 [0,0,0,1,0,1|1,0,1]=4 874 B15R1.8994 CC(=CCC/C(=C/CSCC1CC1)/C)C 62a_100016991246_100000742324 [0,0,0,1,0,1|1,0,1]=4 875 B15R1.8994 CC(=CCC/C(=C/CSCC1CO1)/C)C 62a_100016991246_102125554688 [0,0,0,1,0,1|0,0,2]=4 876 B15R1.8994 CC(=CCC/C(=C/CSCC1CO1)/C)C 62a_102125554688_100016991246 [0,0,0,1,0,1|0,0,2]=4 877 B15R1.8994 CC(=CCC/C(=C/CSCC1CS1)/C)C 62a_100000031435_100016991246 [0,0,0,1,0,1|0,1,1]=4 878 B15R1.8994 CC(=CCC/C(=C/CSCC1CS1)/C)C 62a_100016991246_100000031435 [0,0,0,1,0,1|0,1,1]=4 879 B15R1.8994 CC(=CCC/C(=C/CSC[C@@H]1CO1)/C)C 62a_100000745022_100016991246 [0,0,0,1,0,1|0,0,2]=4 880 B15R1.8994 CC(=CCC/C(=C/CSC[C@@H]1CO1)/C)C 62a_100016991246_100000745022 [0,0,0,1,0,1|0,0,2]=4 881 B15R1.8994 CC(=CCC/C(=C\COCC1CC1)/C)C 34a_100016990311_100000742324 [0,0,0,1,0,1|1,0,1]=4 882 B15R1.8994 CC(=CCC/C(=C\COCC1CC1)/C)C 7a_100016990311_100000742324 [0,0,0,1,0,1|1,0,1]=4 883 B15R1.8994 CC(=CCC/C(=C\COCC1CO1)/C)C 34a_100016990311_102125554688 [0,0,0,1,0,1|0,0,2]=4 884 B15R1.8994 CC(=CCC/C(=C\COCC1CO1)/C)C 7a_100016990311_102125554688 [0,0,0,1,0,1|0,0,2]=4 885 B15R1.8994 CC(=CCC/C(=C\COCC1CS1)/C)C 7a_100016990311_100000031435 [0,0,0,1,0,1|0,1,1]=4 886 B15R1.8994 CC(=CCC/C(=C\COC[C@@H]1CO1)/C)C 7a_100016990311_100000745022 [0,0,0,1,0,1|0,0,2]=4 887 B15R1.31255 CC(=O)N1CC[C@H]1C(=O)CCC=C(C)C 1458a_200015362969_100011217483 [0,0,0,1,0,1|1,0,1]=4 888 B15R1.882 CC(=CCCC(=O)C1=NNC(=O)CC1)C 1458a_100000183032_100011217483 [0,1,0,1,0,0|2,0,0]=4 889 B15R1.882 CC(=CCCC(=O)C1CCC(=O)NC1)C 1458a_100000740907_100011217483 [0,1,0,1,0,0|1,0,1]=4 890 B15R1.882 CC(=O)CCCC(=O)C1CC=C(CC1)C 1458a_100000137427_100011215641 [0,1,0,1,0,0|1,0,1]=4 891 B15R1.938 CNC(=O)C1CCN(C1)CCC=C(C)C 2230a_100020588580_100011217483 [0,1,0,1,0,0|1,0,1]=4 892 B15R1.938 CNC(=O)C1CCN(C1)CCC=C(C)C 269982a_100020588580_100011217483 [0,1,0,1,0,0|1,0,1]=4 893 B15R1.938 CNC(=O)C1CCN(C1)CCC=C(C)C 34a_100020588580_100011217483 [0,1,0,1,0,0|1,0,1]=4 894 B15R1.938 COC(=O)[C@@H]1CCN(C1)CCC=C(C)C 2230a_100016989057_100011217483 [0,1,0,1,0,0|1,0,1]=4 895 B15R1.938 COC(=O)[C@@H]1CCN(C1)CCC=C(C)C 269982a_100016989057_100011217483 [0,1,0,1,0,0|1,0,1]=4 896 B15R1.11402 COC(=O)CC1CN(C1)CCC=C(C)C 269982a_100016993681_100011217483 [0,1,0,1,0,0|1,0,1]=4 897 B15R1.15156 CC(=CCCC(=O)[C@H]1CCC(=O)N1C)C 1458a_100010979499_100011217483 [0,1,0,1,0,0|1,0,1]=4 898 B15R1.39582 COC(=O)C1CC1C(=O)CCC=C(C)C 1458a_100000750770_100011217483 [0,1,0,1,0,0|1,0,1]=4 899 B15R1.39582 COC(=O)C1CN1C(C)CCC=C(C)C 270004a_200009830135_100000765506 [0,1,0,1,0,0|1,0,1]=4 900 B11R0.30 C=C(C)CCOCCC=C(C)C 34a_100000764851_100011217483 [1,0,0,0,1,0|2,0,0]=4 901 B11R0.30 C=C(C)CCSCCC=C(C)C 62a_100000730704_100011217483 [1,0,0,0,1,0|2,0,0]=4 902 B11R0.30 C=C(C)CCSCCC=C(C)C 62a_100011217483_100000730704 [1,0,0,0,1,0|2,0,0]=4 903 B11R0.30 CC(=CCCOCCC(=O)N)C 34a_100000757172_100011217483 [1,0,0,0,1,0|2,0,0]=4 904 B11R0.30 CC(=CCCOCCC(=O)N)C 7a_100000757172_100011217483 [1,0,0,0,1,0|2,0,0]=4 905 B11R0.30 CC(=CCCSCCC(=O)N)C 62a_100000744528_100011217483 [1,0,0,0,1,0|2,0,0]=4 906 B11R0.30 CC(=CCCSCCC(=O)N)C 62a_100011217483_100000744528 [1,0,0,0,1,0|2,0,0]=4 907 B11R0.30 CC(=O)CCCNCC=C(C)C 34a_100000718196_100000685027 [1,0,0,0,1,0|1,0,1]=4 908 B11R0.30 CC(=O)CCCOCC=C(C)C 34a_100000753907_100000685027 [1,0,0,0,1,0|1,0,1]=4 909 B11R0.30 CC(=O)CCCOCC=C(C)C 34a_100000759063_100000761012 [1,0,0,0,1,0|1,0,1]=4 910 B11R0.30 CC(=O)CCCOCC=C(C)C 7a_100000759063_100000761012 [1,0,0,0,1,0|1,0,1]=4 911 B11R0.30 CC(=O)CCCSCC=C(C)C 62a_100000761012_100011215641 [1,0,0,0,1,0|1,0,1]=4 912 B11R0.30 CC(=O)CCCSCC=C(C)C 62a_100011215641_100000761012 [1,0,0,0,1,0|1,0,1]=4 913 B11R0.30 CC(=O)CCOCCC=C(C)C 34a_100000759926_100011217483 [1,0,0,0,1,0|1,0,0]=3 914 B11R0.30 CC(=O)CCOCCC=C(C)C 7a_100000759926_100011217483 [1,0,0,0,1,0|1,0,0]=3 915 B11R0.30 CC(=O)CCSCCC=C(C)C 62a_100000053229_100011217483 [1,0,0,0,1,0|1,0,0]=3 916 B11R0.30 CC(=O)CCSCCC=C(C)C 62a_100011217483_100000053229 [1,0,0,0,1,0|1,0,0]=3 917 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100000076356_100011217483 [1,0,0,0,1,0|2,0,0]=4 918 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100011217483_100000076356 [1,0,0,0,1,0|2,0,0]=4 919 B11R0.6 C=C(C)CN(C)CCC=C(C)C 2230a_100000225649_100011217483 [0,0,0,0,2,0|2,0,0]=4 920 B11R0.6 C=C(C)CN(C)CCC=C(C)C 269982a_100000225649_100011217483 [0,0,0,0,2,0|2,0,0]=4 921 B11R0.6 CC(=CCCC(=CC(=O)[13CH3])C)C 1458a_100016995320_200025704644 [0,0,0,0,2,0|0,0,0]=2 922 B11R0.6 CC(=CCCC(=O)C=C(C)C)C 1458a_100000211388_100011217483 [0,0,0,0,2,0|2,0,0]=4 923 B11R0.6 CC(=CCCC(=O)C=C(C)Cl)C 1458a_200042562850_100011217483 [0,0,0,0,2,0|2,0,0]=4 924 B11R0.6 CC(=CCCC(=O)C=C(C)I)C 1458a_100025716642_100011217483 [0,0,0,0,2,0|2,0,0]=4 925 B11R0.6 CC(=CCCC(=O)CC(=O)N)C 1458a_100134613110_100011217483 [0,0,0,0,2,0|2,0,0]=4 926 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,0,0,0,2,0|0,0,1]=3 927 B11R0.6 CC(=CCCN(C)CC(=O)N)C 2230a_100000739694_100011217483 [0,0,0,0,2,0|2,0,0]=4 928 B11R0.6 CC(=CCCN(C)CC(=O)O)C 269956a_100000746989_100011217483 [0,0,0,0,2,0|2,0,0]=4 929 B11R0.6 CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_200000210301 [0,0,0,0,2,0|0,0,0]=2 930 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,0,0,0,2,0|0,0,1]=3 931 B11R0.6 CC(=O)CCCC(=O)C=C(C)C 1458a_100000211388_100011215641 [0,0,0,0,2,0|1,0,1]=4 932 B11R0.85 C=C(C)CCC(=O)CC=C(C)C 1458a_100011220947_100000730704 [0,0,0,0,2,0|2,0,0]=4 933 B11R0.85 C=C(C)CCC(=O)CC=C(C)C 1458a_200000688413_100000761012 [0,0,0,0,2,0|2,0,0]=4 934 B11R0.85 CC(=CCC(=O)CCC(=O)N)C 1458a_100011215257_100000761012 [0,0,0,0,2,0|2,0,0]=4 935 B11R0.85 CC(=CCN(C)CCC(=O)N)C 2230a_100000730477_100000761012 [0,0,0,0,2,0|2,0,0]=4 936 B11R0.85 CC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000053229 [0,0,0,0,2,0|1,0,1]=4 937 B11R0.85 CC(=O)CCN(C)CCN(C)C 269982a_100000225618_100000053229 [0,0,0,0,2,0|2,0,0]=4 938 B11R0.85 CC(=O)NCC(=O)CC=C(C)C 1458a_100000194580_100000761012 [0,0,0,0,2,0|2,0,0]=4 939 B11R0.85 CC(=O)OCC(=O)CC=C(C)C 1458a_100000183556_100000761012 [0,0,0,0,2,0|2,0,0]=4 940 B11R0.85 CC(=O)SCC(=O)CC=C(C)C 1458a_100000049016_100000761012 [0,0,0,0,2,0|2,0,0]=4 941 B13R0.179 CC(=O)CCCCSCCC=C(C)C 62a_100000735457_100011217483 [1,0,0,0,0,1|0,0,2]=4 942 B13R0.179 CC(=O)CCCCSCCC=C(C)C 62a_100011217483_100000735457 [1,0,0,0,0,1|0,0,2]=4 943 B13R0.179 CC(=O)NCCCNCCC=C(C)C 34a_100000736810_100011217483 [1,0,0,0,0,1|1,0,1]=4 944 B13R0.179 CC(=O)NCCCOCCC=C(C)C 34a_100000752032_100011217483 [1,0,0,0,0,1|1,0,1]=4 945 B13R0.179 CC(=O)OCCCSCCC=C(C)C 62a_100000042594_100011217483 [1,0,0,0,0,1|1,0,1]=4 946 B13R0.179 CC(=O)OCCCSCCC=C(C)C 62a_100011217483_100000042594 [1,0,0,0,0,1|1,0,1]=4 947 B13R0.179 CC(=O)SCCCSCCC=C(C)C 62a_100000038929_100011217483 [1,0,0,0,0,1|1,0,1]=4 948 B13R0.179 CC(=O)SCCCSCCC=C(C)C 62a_100011217483_100000038929 [1,0,0,0,0,1|1,0,1]=4 949 B15R0.221 C=C(Br)CCOC/C=C(\C)/CCC=C(C)C 34a_100009813270_100016991246 [0,0,0,0,0,2|1,0,1]=4 950 B15R0.221 C=C(C)CCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000730704 [0,0,0,0,0,2|1,0,0]=3 951 B15R0.221 C=C(C)CCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000730704 [0,0,0,0,0,2|1,0,0]=3 952 B15R0.221 C=C(C)CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000730704 [0,0,0,0,0,2|1,0,0]=3 953 B15R0.221 C=C(C)CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000730704 [0,0,0,0,0,2|1,0,0]=3 954 B15R0.221 C=C(C)CCOC/C=C(\C)/CCC=C(C)C 34a_100000764851_100016991246 [0,0,0,0,0,2|1,0,0]=3 955 B15R0.221 C=C(C)CCSC/C=C(\C)/CCC=C(C)C 62a_100000730704_100016991246 [0,0,0,0,0,2|1,0,0]=3 956 B15R0.221 C=C(C)CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000730704 [0,0,0,0,0,2|1,0,0]=3 957 B15R0.221 CC(=CCC/C(=C/CNCC=C(C)C)/C)C 2230a_200020676162_100000761012 [0,0,0,0,0,2|1,0,0]=3 958 B15R0.221 CC(=CCC/C(=C/CNCC=C(C)C)/C)C 34a_100000718196_100016991246 [0,0,0,0,0,2|1,0,0]=3 959 B15R0.221 CC(=CCC/C(=C/CNCC=C(C)C)/C)C 34a_200020676162_100000761012 [0,0,0,0,0,2|1,0,0]=3 960 B15R0.221 CC(=CCC/C(=C/CNCCC(=O)N)/C)C 2230a_200020676162_100000744528 [0,0,0,0,0,2|1,0,0]=3 961 B15R0.221 CC(=CCC/C(=C/CNCCC(=O)N)/C)C 34a_200020676162_100000731001 [0,0,0,0,0,2|1,0,0]=3 962 B15R0.221 CC(=CCC/C(=C/CNCCC(C)C)/C)C 2230a_200020676162_100000210312 [0,0,0,0,0,2|1,0,1]=4 963 B15R0.221 CC(=CCC/C(=C/CNCCC(C)C)/C)C 34a_200020676162_100000210312 [0,0,0,0,0,2|1,0,1]=4 964 B15R0.221 CC(=CCC/C(=C/CNCCC(C)O)/C)C 2230a_200000755665_100016991246 [0,0,0,0,0,2|0,0,2]=4 965 B15R0.221 CC(=CCC/C(=C/CNCCC(C)O)/C)C 2230a_200020676162_100012276601 [0,0,0,0,0,2|0,0,2]=4 966 B15R0.221 CC(=CCC/C(=C/CNCCC(C)O)/C)C 34a_200020676162_100012276601 [0,0,0,0,0,2|0,0,2]=4 967 B15R0.221 CC(=CCC/C(=C/CNCOC(C)C)/C)C 2230a_200020676162_100000709892 [0,0,0,0,0,2|1,0,1]=4 968 B15R0.221 CC(=CCC/C(=C/CNCOC(C)C)/C)C 34a_200020676162_100000709892 [0,0,0,0,0,2|1,0,1]=4 969 B15R0.221 CC(=CCC/C(=C/CNOCC(=O)O)/C)C 269956a_100000106656_100016991246 [0,0,0,0,0,2|1,0,0]=3 970 B15R0.221 CC(=CCC/C(=C/COCC=C(C)C)/C)C 34a_100000753907_100016991246 [0,0,0,0,0,2|1,0,0]=3 971 B15R0.221 CC(=CCC/C(=C/COCCC(=O)N)/C)C 34a_100000757172_100016991246 [0,0,0,0,0,2|1,0,0]=3 972 B15R0.221 CC(=CCC/C(=C/COCCC(=O)N)/C)C 7a_100000757172_100016991246 [0,0,0,0,0,2|1,0,0]=3 973 B15R0.221 CC(=CCC/C(=C/COCCC(C)Br)/C)C 34a_100009893172_100016991246 [0,0,0,0,0,2|1,0,1]=4 974 B15R0.221 CC(=CCC/C(=C/COCCC(C)C)/C)C 34a_100000210254_100016991246 [0,0,0,0,0,2|1,0,1]=4 975 B15R0.221 CC(=CCC/C(=C/COCCC(C)C)/C)C 7a_100000210254_100016991246 [0,0,0,0,0,2|1,0,1]=4 976 B15R0.221 CC(=CCC/C(=C/COCC[C@@H](C)N)/C)C 34a_100000706166_100016991246 [0,0,0,0,0,2|1,0,1]=4 977 B15R0.221 CC(=CCC/C(=C/CSCC=C(C)C)/C)C 62a_100000761012_100016991246 [0,0,0,0,0,2|1,0,0]=3 978 B15R0.221 CC(=CCC/C(=C/CSCC=C(C)C)/C)C 62a_100016991246_100000761012 [0,0,0,0,0,2|1,0,0]=3 979 B15R0.221 CC(=CCC/C(=C/CSCCC(=O)N)/C)C 62a_100000744528_100016991246 [0,0,0,0,0,2|1,0,0]=3 980 B15R0.221 CC(=CCC/C(=C/CSCCC(=O)N)/C)C 62a_100016991246_100000744528 [0,0,0,0,0,2|1,0,0]=3 981 B15R0.221 CC(=CCC/C(=C/CSCCC(C)C)/C)C 62a_100000210312_100016991246 [0,0,0,0,0,2|1,0,1]=4 982 B15R0.221 CC(=CCC/C(=C/CSCCC(C)C)/C)C 62a_100016991246_100000210312 [0,0,0,0,0,2|1,0,1]=4 983 B15R0.221 CC(=CCC/C(=C/CSCCC(C)O)/C)C 62a_100012276601_100016991246 [0,0,0,0,0,2|0,0,2]=4 984 B15R0.221 CC(=CCC/C(=C/CSCCC(C)O)/C)C 62a_100016991246_100012276601 [0,0,0,0,0,2|0,0,2]=4 985 B15R0.221 CC(=CCC/C(=C/CSCCN(C)C)/C)C 62a_100016991246_100000755713 [0,0,0,0,0,2|2,0,0]=4 986 B15R0.221 CC(=CCC/C(=C/CSCOC(C)C)/C)C 62a_100000709892_100016991246 [0,0,0,0,0,2|1,0,1]=4 987 B15R0.221 CC(=CCC/C(=C/CSCOC(C)C)/C)C 62a_100016991246_100000709892 [0,0,0,0,0,2|1,0,1]=4 988 B15R0.221 CC(=CCC/C(=C\COCC=C(C)C)/C)C 34a_100016990311_100000761012 [0,0,0,0,0,2|1,0,0]=3 989 B15R0.221 CC(=CCC/C(=C\COCC=C(C)C)/C)C 7a_100016990311_100000761012 [0,0,0,0,0,2|1,0,0]=3 990 B15R0.221 CC(=CCC/C(=C\COCCC(=O)N)/C)C 34a_100016990311_100000731001 [0,0,0,0,0,2|1,0,0]=3 991 B15R0.221 CC(=CCC/C(=C\COCCC(=O)N)/C)C 7a_100016990311_100000744528 [0,0,0,0,0,2|1,0,0]=3 992 B15R0.221 CC(=CCC/C(=C\COCCC(C)C)/C)C 34a_100016990311_100000210312 [0,0,0,0,0,2|1,0,1]=4 993 B15R0.221 CC(=CCC/C(=C\COCCC(C)C)/C)C 7a_100016990311_100000210626 [0,0,0,0,0,2|1,0,1]=4 994 B15R0.221 CC(=CCC/C(=C\COCCC(C)O)/C)C 34a_100016990311_100012276601 [0,0,0,0,0,2|0,0,2]=4 995 B15R0.221 CC(=CCC/C(=C\COCCC(C)O)/C)C 7a_100016990311_100012276601 [0,0,0,0,0,2|0,0,2]=4 996 B15R0.221 CC(=CCC/C(=C\COCCN(C)C)/C)C 7a_100016990311_100000755713 [0,0,0,0,0,2|2,0,0]=4 997 B15R0.221 CC(=CCC/C(=C\COCOC(C)C)/C)C 34a_100016990311_100000709892 [0,0,0,0,0,2|1,0,1]=4 998 B15R0.221 CC(=O)CCCCOC(C)CCC=C(C)C 34a_100102619829_100009817362 [0,0,0,0,0,2|0,0,2]=4 999 B15R0.221 CC(=O)CCCCOC(C)CCC=C(C)C 7a_100102619829_100000735457 [0,0,0,0,0,2|0,0,2]=4 1000 B15R0.221 CC(=O)CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000053229 [0,0,0,0,0,2|0,0,0]=2 1001 B15R0.221 CC(=O)CCOC/C=C(\C)/CCC=C(C)C 34a_100000759926_100016991246 [0,0,0,0,0,2|0,0,0]=2 1002 B15R0.221 CC(=O)CCOC/C=C(\C)/CCC=C(C)C 7a_100000759926_100016991246 [0,0,0,0,0,2|0,0,0]=2 1003 B15R0.221 CC(=O)CCOCCC(C)CCC=C(C)C 34a_100000759926_100009814015 [0,0,0,0,0,2|0,0,2]=4 1004 B15R0.221 CC(=O)CCOCCC(C)CCC=C(C)C 7a_100000017536_100000053229 [0,0,0,0,0,2|0,0,2]=4 1005 B15R0.221 CC(=O)CCOCCC(C)CCC=C(C)C 7a_100000759926_100009814015 [0,0,0,0,0,2|0,0,2]=4 1006 B15R0.221 CC(=O)CCSC/C=C(\C)/CCC=C(C)C 62a_100000053229_100016991246 [0,0,0,0,0,2|0,0,0]=2 1007 B15R0.221 CC(=O)CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000053229 [0,0,0,0,0,2|0,0,0]=2 1008 B15R0.221 CC(=O)CCSCCC(C)CCC=C(C)C 62a_100000053229_100009814015 [0,0,0,0,0,2|0,0,2]=4 1009 B15R0.221 CC(=O)CCSCCC(C)CCC=C(C)C 62a_100009814015_100000053229 [0,0,0,0,0,2|0,0,2]=4 1010 B15R0.221 CC(=O)NCCCNC(C)CCC=C(C)C 270004a_100000736810_100000765506 [0,0,0,0,0,2|0,0,2]=4 1011 B15R0.221 CC(=O)OCCCOC(C)CCC=C(C)C 34a_100102619829_100000042594 [0,0,0,0,0,2|0,0,2]=4 1012 B15R0.221 CC(=O)OCCCOC(C)CCC=C(C)C 7a_100102619829_100000042594 [0,0,0,0,0,2|0,0,2]=4 1013 B15R0.221 CC(=O)OCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100009813279 [0,0,0,0,0,2|0,0,0]=2 1014 B15R0.221 CC(=O)OCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100009813279 [0,0,0,0,0,2|0,0,0]=2 1015 B15R0.221 CC(=O)OCOCCC(C)CCC=C(C)C 34a_100000017536_100009813279 [0,0,0,0,0,2|0,0,2]=4 1016 B15R0.221 CC(=O)OCSC/C=C(\C)/CCC=C(C)C 62a_100000076356_100016991246 [0,0,0,0,0,2|0,0,0]=2 1017 B15R0.221 CC(=O)OCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000076356 [0,0,0,0,0,2|0,0,0]=2 1018 B15R0.221 CC(=O)OCSCCC(C)CCC=C(C)C 62a_100000076356_100009814015 [0,0,0,0,0,2|0,0,2]=4 1019 B15R0.221 CC(=O)OCSCCC(C)CCC=C(C)C 62a_100009814015_100000076356 [0,0,0,0,0,2|0,0,2]=4 1020 B15R0.221 CC(=O)SCCCOC(C)CCC=C(C)C 34a_100102619829_100000038929 [0,0,0,0,0,2|0,0,2]=4 1021 B15R0.221 CC(=O)SCCCOC(C)CCC=C(C)C 7a_100102619829_100000038929 [0,0,0,0,0,2|0,0,2]=4