0 B9R0.15 C#CCN(CC=C)C(=O)C 11a_100000731024_100015343762 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.15 C#CCN(CC=C)C(=O)C 1626a_100000731024_100015343762 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.15 C#CCN(CC=C)C(=O)C 527a_100000731024_100103153847 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.15 C=CCC(OCC)C(C)C 34a_200011216146_100000210202 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.15 C=CCC(OCC)C(C)C 7a_200011216146_100000210202 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.15 C=CCN(CC=C)C(=O)C 11a_100000210471_100015343762 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.15 C=CCN(CC=C)C(=O)C 1626a_100000210471_100015343762 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.15 C=CCN(CC=C)C(=O)C 240690a_100000210471_100015343762 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.15 C=CCN(CC=C)C(=O)C 527a_100000210471_100103153847 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.15 C=CCN(CCC)C(C)C 2230a_100000742772_100000210303 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.15 C=CCN(CCC)C(C)C 2230a_106256033942_100000210623 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.15 C=CCN(CCC)C(C)C 269982a_100000742772_100000210303 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.15 C=CCN(CCC)C(C)C 269982a_106256033942_100000210623 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [0,0,0,0,0,0|1,0,2]=3 14 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [0,0,0,0,0,0|1,0,2]=3 15 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [0,0,0,0,0,0|1,0,2]=3 16 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.15 CCCC(OCF)C(=O)N 34a_100011626294_100015361967 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.15 CCCC(OCF)C(=O)N 7a_100011626294_100015361967 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [0,0,0,0,0,0|1,0,2]=3 28 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [0,0,0,0,0,0|2,0,1]=3 30 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [0,0,0,0,0,0|2,0,1]=3 31 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [0,0,0,0,0,0|2,0,1]=3 32 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [0,0,0,0,0,0|2,0,1]=3 33 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,0,0,0,0,0|1,0,0]=2 37 B8R0.15 C=C[C@H](NCF)C(=O)O 269956a_100016992060_100015361967 [1,0,0,0,0,0|2,0,0]=3 38 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,0,0,0,0,0|1,0,1]=3 39 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,0,0,0,0,0|1,0,1]=3 40 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,0,0,0,0,0|1,0,1]=3 41 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,0,0,0,0,0|2,0,1]=4 43 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,0,0,0,0,0|1,0,1]=3 52 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,0,0,0,0,0|1,0,1]=3 55 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,0,0,0,0,0|2,0,0]=3 59 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [1,0,0,0,0,0|3,0,0]=4 61 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,0,0,0,0,0|1,0,1]=3 62 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [1,0,0,0,0,0|2,0,1]=4 65 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,0,0,0,0,0|2,0,1]=4 67 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [1,0,0,0,0,0|2,0,1]=4 68 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [1,0,0,0,0,0|2,0,1]=4 69 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [1,0,0,0,0,0|2,0,1]=4 70 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [1,0,0,0,0,0|2,0,1]=4 72 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [1,0,0,0,0,0|3,0,0]=4 73 B8R0.22 C=CCC(C=C)OCC 34a_100000038011_100000210202 [1,0,0,0,0,0|2,0,0]=3 74 B8R0.22 C=CCC(C=C)OCC 7a_100000038011_100000210202 [1,0,0,0,0,0|2,0,0]=3 75 B8R0.22 C=CCC(C=C)OCF 34a_100000038011_100015361967 [1,0,0,0,0,0|3,0,0]=4 76 B8R0.22 C=CCC(C=C)OCF 7a_100000038011_100015361967 [1,0,0,0,0,0|3,0,0]=4 77 B8R0.22 C=CCC(CCC)OC 34a_100011215139_200000210301 [1,0,0,0,0,0|2,0,0]=3 78 B8R0.22 C=CCC(CCC)OC 7a_100011215139_200000210301 [1,0,0,0,0,0|2,0,0]=3 79 B8R0.22 C=CCC(CCC)O[13CH3] 34a_100011215139_200025704644 [1,0,0,0,0,0|2,0,0]=3 80 B8R0.22 C=CCC(CCC)O[13CH3] 7a_100011215139_200025704644 [1,0,0,0,0,0|2,0,0]=3 81 B8R0.22 C=CCN(CC)CCC 2230a_100000226822_100000210623 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.22 C=CCN(CC)CCC 269982a_100000226822_100000210623 [1,0,0,0,0,0|2,0,1]=4 83 B8R0.22 C=CC[C@H](CO)NCC 2230a_100020615467_100000210202 [1,0,0,0,0,0|1,0,1]=3 84 B10R0.23 C=C(C)CC(OCC)C(=C)C 34a_200000034272_100000210202 [0,1,0,0,0,0|3,0,0]=4 85 B10R0.23 C=C(C)CC(OCC)C(=C)C 7a_200000034272_100000210202 [0,1,0,0,0,0|3,0,0]=4 86 B10R0.23 C=CCC(NC(=O)C)C(=O)C 1458a_100000741017_200000210301 [0,1,0,0,0,0|2,0,1]=4 87 B10R0.23 C=CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000741017_200025704644 [0,1,0,0,0,0|2,0,1]=4 88 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [0,1,0,0,0,0|2,0,1]=4 89 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 11a_100000729256_100015343762 [0,1,0,0,0,0|2,0,1]=4 90 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 1626a_100000729256_100015343762 [0,1,0,0,0,0|2,0,1]=4 91 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 240690a_100000729256_100015343762 [0,1,0,0,0,0|2,0,1]=4 92 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 527a_100000729256_100103153847 [0,1,0,0,0,0|2,0,1]=4 93 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [0,1,0,0,0,0|2,0,1]=4 94 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [0,1,0,0,0,0|1,0,2]=4 95 B10R0.23 CCN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000210202 [0,1,0,0,0,0|3,0,0]=4 96 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [0,1,0,0,0,0|2,0,1]=4 97 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [0,1,0,0,0,0|2,0,1]=4 98 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [0,1,0,0,0,0|2,0,1]=4 99 B10R0.23 C[Se]C[C@H](NC(C)C)C(=O)O 269956a_100015254316_100000210206 [0,1,0,0,0,0|2,0,1]=4 100 B10R0.30 CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210202 [0,1,0,0,0,0|1,0,2]=4 101 B10R0.30 CCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210202 [0,1,0,0,0,0|2,0,1]=4 102 B10R0.30 CC[C@H](C)[C@@H](NCF)C(=O)O 269956a_100009815163_100015361967 [0,1,0,0,0,0|2,0,1]=4 103 B10R0.73 C#CC(=O)C(CCC)CCC 1458a_100000211873_200011218217 [0,1,0,0,0,0|1,0,2]=4 104 B10R0.73 C#CCN(CC=C)C(=O)CO 527a_100000731024_100000210174 [0,1,0,0,0,0|1,0,2]=4 105 B10R0.73 C=CC(=O)C(CCC)CCC 1458a_100000185746_200011218217 [0,1,0,0,0,0|1,0,2]=4 106 B10R0.73 C=CCN(CC=C)C(=O)CO 240690a_100000210471_100000210174 [0,1,0,0,0,0|1,0,2]=4 107 B10R0.73 C=CCN(CC=C)C(=O)CO 527a_100000210471_100000210174 [0,1,0,0,0,0|1,0,2]=4 108 B10R0.73 C=CCN(CCC)C(C)CO 2230a_100011303929_100000210623 [0,1,0,0,0,0|2,0,1]=4 109 B10R0.73 C=CCN(CCC)C(C)CO 269982a_100011303929_100000210623 [0,1,0,0,0,0|2,0,1]=4 110 B10R0.73 CCCC(CCC)C(=O)CC 1458a_100000210414_200011218217 [0,1,0,0,0,0|1,0,2]=4 111 B10R0.73 CCCC(CCC)C(=O)CC 1458a_100011215354_100000210202 [0,1,0,0,0,0|1,0,2]=4 112 B10R0.73 CCCC(CCC)C(=O)CF 1458a_100011215354_100015361967 [0,1,0,0,0,0|1,0,2]=4 113 B10R0.73 CCCC(CCC)C(=O)CO 1458a_100000210174_200011218217 [0,1,0,0,0,0|0,0,2]=3 114 B10R0.73 CCCC(CCC)C(=O)NC 11a_106832991635_100011215354 [0,1,0,0,0,0|1,0,2]=4 115 B10R0.73 CCCC(CCC)C(=O)NC 1626a_100102657272_100011215354 [0,1,0,0,0,0|1,0,2]=4 116 B10R0.73 CCCC(CCC)C(=O)NC 240690a_100102657272_100011215354 [0,1,0,0,0,0|1,0,2]=4 117 B10R0.73 CCCC(CCC)C(=O)NC 527a_100102657272_100011215354 [0,1,0,0,0,0|1,0,2]=4 118 B10R0.73 CCCC(NCC)C(=O)OC 2230a_100015525214_200009843822 [0,1,0,0,0,0|1,0,2]=4 119 B10R0.73 CCCC(OCC)C(=O)OC 34a_100121572206_200009843822 [0,1,0,0,0,0|1,0,2]=4 120 B10R0.73 CCCC(SCC)C(=O)OC 62a_100000210202_200009843822 [0,1,0,0,0,0|1,0,2]=4 121 B10R0.73 CCCC(SCC)C(=O)OC 62a_200009843822_100000210202 [0,1,0,0,0,0|1,0,2]=4 122 B10R0.73 CCCC(SCF)C(=O)OC 62a_100015361967_200009843822 [0,1,0,0,0,0|2,0,1]=4 123 B10R0.73 CCCC(SCF)C(=O)OC 62a_200009843822_100015361967 [0,1,0,0,0,0|2,0,1]=4 124 B10R0.73 CCCN(CCC)C(=O)CO 240690a_100000210455_100000210174 [0,1,0,0,0,0|1,0,2]=4 125 B10R0.73 CCCN(CCC)C(=O)CO 527a_100000210455_100000210174 [0,1,0,0,0,0|1,0,2]=4 126 B10R0.73 CCCN(CCO)C(=O)CO 240690a_100000211420_100000210174 [0,1,0,0,0,0|2,0,1]=4 127 B10R0.73 CCOC(COC)C(=O)OC 34a_100121572206_100000717350 [0,1,0,0,0,0|2,0,1]=4 128 B10R0.73 CCSC(COC)C(=O)OC 62a_100000210202_100000717350 [0,1,0,0,0,0|2,0,1]=4 129 B10R0.73 CCSC(COC)C(=O)OC 62a_100000717350_100000210202 [0,1,0,0,0,0|2,0,1]=4 130 B10R0.88 C#CCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000038162 [0,1,0,0,0,0|1,0,2]=4 131 B10R0.88 C#CCN[C@@H](CCC)C(=O)N 34a_100000729256_100000184674 [0,1,0,0,0,0|1,0,2]=4 132 B10R0.88 C#CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000184674 [0,1,0,0,0,0|0,0,2]=3 133 B10R0.88 C#CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000184674 [0,1,0,0,0,0|1,0,2]=4 134 B10R0.88 C#CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000184674 [0,1,0,0,0,0|1,0,2]=4 135 B10R0.88 C#CCN[C@H](COC)C(=O)O 269956a_100011998655_100000184674 [0,1,0,0,0,0|1,0,2]=4 136 B10R0.88 C#CCOC(CCC)C(=O)N 34a_100011626294_100000184674 [0,1,0,0,0,0|1,0,2]=4 137 B10R0.88 C#CCOC(CCC)C(=O)N 7a_100011626294_100000038162 [0,1,0,0,0,0|1,0,2]=4 138 B10R0.88 C=CCC(OCCC)C(C)C 34a_200011216146_100000210303 [0,1,0,0,0,0|2,0,1]=4 139 B10R0.88 C=CCC(OCCC)C(C)C 7a_200011216146_100000210303 [0,1,0,0,0,0|2,0,1]=4 140 B10R0.88 C=CCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210623 [0,1,0,0,0,0|1,0,0]=2 141 B10R0.88 C=CCN[C@@H](CCC)C(=O)N 34a_100000729256_100015514636 [0,1,0,0,0,0|1,0,0]=2 142 B10R0.88 C=CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210623 [0,1,0,0,0,0|0,0,0]=1 143 B10R0.88 C=CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210623 [0,1,0,0,0,0|1,0,0]=2 144 B10R0.88 C=CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210623 [0,1,0,0,0,0|1,0,0]=2 145 B10R0.88 C=CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210623 [0,1,0,0,0,0|1,0,0]=2 146 B10R0.88 C=CCOC(CCC)C(=O)N 34a_100011626294_100015514636 [0,1,0,0,0,0|1,0,0]=2 147 B10R0.88 C=CCOC(CCC)C(=O)N 7a_100011626294_100015514636 [0,1,0,0,0,0|1,0,0]=2 148 B10R0.88 C=CCOC(CCC)C(C)C 34a_200011215069_100015514636 [0,1,0,0,0,0|2,0,1]=4 149 B10R0.88 C=CCOC(CCC)C(C)C 7a_200011215069_100015514636 [0,1,0,0,0,0|2,0,1]=4 150 B10R0.88 CCCC(OCC#N)C(=O)N 7a_100011626294_100011215382 [0,1,0,0,0,0|2,0,1]=4 151 B10R0.88 CCCC(OCC=O)C(=O)N 34a_100011626294_200009817547 [0,1,0,0,0,0|2,0,0]=3 152 B10R0.88 CCCC(OCC=O)C(=O)N 7a_100011626294_200015260668 [0,1,0,0,0,0|2,0,0]=3 153 B10R0.88 CCCC(OCCF)C(=O)N 34a_100011626294_100011217306 [0,1,0,0,0,0|2,0,1]=4 154 B10R0.88 CCCC(OCCF)C(=O)N 7a_100011626294_100011217306 [0,1,0,0,0,0|2,0,1]=4 155 B10R0.88 CCCC(OCCO)C(=O)N 34a_100011626294_100000211926 [0,1,0,0,0,0|2,0,1]=4 156 B10R0.88 CCCC(OCCO)C(=O)N 7a_100011626294_100000211926 [0,1,0,0,0,0|2,0,1]=4 157 B10R0.88 CCCC(OCSC)C(=O)N 34a_100011626294_100011218213 [0,1,0,0,0,0|2,0,1]=4 158 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [0,1,0,0,0,0|1,0,2]=4 159 B10R0.88 CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210303 [0,1,0,0,0,0|1,0,2]=4 160 B10R0.88 CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210303 [0,1,0,0,0,0|1,0,2]=4 161 B10R0.88 CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210207 [0,1,0,0,0,0|0,0,2]=3 162 B10R0.88 CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210207 [0,1,0,0,0,0|1,0,1]=3 163 B10R0.88 CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210207 [0,1,0,0,0,0|1,0,1]=3 164 B10R0.88 CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210207 [0,1,0,0,0,0|1,0,1]=3 165 B10R0.88 CCCOC(CCC)C(=O)N 34a_100011626294_100000210303 [0,1,0,0,0,0|1,0,2]=4 166 B10R0.88 CCCOC(CCC)C(=O)N 7a_100011626294_100000210303 [0,1,0,0,0,0|1,0,2]=4 167 B10R0.88 CCC[C@H](NCC#N)C(=O)N 2230a_100000729256_100011215382 [0,1,0,0,0,0|2,0,1]=4 168 B10R0.88 CCC[C@H](NCC#N)C(=O)O 269956a_100000750406_100011215382 [0,1,0,0,0,0|1,0,1]=3 169 B10R0.88 CCC[C@H](NCC=O)C(=O)N 2230a_100000729256_200015260668 [0,1,0,0,0,0|2,0,0]=3 170 B10R0.88 CCC[C@H](NCC=O)C(=O)N 34a_100000729256_200009817547 [0,1,0,0,0,0|2,0,0]=3 171 B10R0.88 CCC[C@H](NCC=O)C(=O)O 269956a_100000750406_200015260668 [0,1,0,0,0,0|1,0,0]=2 172 B10R0.88 CCC[C@H](NCCF)C(=O)N 2230a_100000729256_100011217306 [0,1,0,0,0,0|2,0,1]=4 173 B10R0.88 CCC[C@H](NCCF)C(=O)N 34a_100000729256_100011217306 [0,1,0,0,0,0|2,0,1]=4 174 B10R0.88 CCC[C@H](NCCF)C(=O)O 269956a_100000750406_100011217306 [0,1,0,0,0,0|1,0,1]=3 175 B10R0.88 CCC[C@H](NCCO)C(=O)N 2230a_100000729256_100000211926 [0,1,0,0,0,0|2,0,1]=4 176 B10R0.88 CCC[C@H](NCCO)C(=O)N 34a_100000729256_100000211926 [0,1,0,0,0,0|2,0,1]=4 177 B10R0.88 CCC[C@H](NCCO)C(=O)O 269956a_100000750406_100000211926 [0,1,0,0,0,0|1,0,1]=3 178 B10R0.88 CCC[C@H](NCOC)C(=O)N 2230a_100000729256_100000766300 [0,1,0,0,0,0|2,0,1]=4 179 B10R0.88 CCC[C@H](NCOC)C(=O)O 269956a_100000750406_100000766300 [0,1,0,0,0,0|1,0,1]=3 180 B10R0.88 CCC[C@H](NCSC)C(=O)N 2230a_100000729256_100011218213 [0,1,0,0,0,0|2,0,1]=4 181 B10R0.88 CCC[C@H](NCSC)C(=O)N 34a_100000729256_100011218213 [0,1,0,0,0,0|2,0,1]=4 182 B10R0.88 CCC[C@H](NCSC)C(=O)O 269956a_100000750406_100011218213 [0,1,0,0,0,0|1,0,1]=3 183 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [0,1,0,0,0,0|1,0,2]=4 184 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [0,1,0,0,0,0|1,0,2]=4 185 B10R0.88 COCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000766300 [0,1,0,0,0,0|2,0,1]=4 186 B10R0.88 COCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000766300 [0,1,0,0,0,0|2,0,1]=4 187 B10R0.88 COCN[C@H](COC)C(=O)O 269956a_100011998655_100000766300 [0,1,0,0,0,0|2,0,1]=4 188 B10R0.88 COC[C@@H](NCC#N)C(=O)O 269956a_100011998655_100011215382 [0,1,0,0,0,0|2,0,1]=4 189 B10R0.88 COC[C@@H](NCC=O)C(=O)O 269956a_100011998655_200015260668 [0,1,0,0,0,0|2,0,0]=3 190 B10R0.88 COC[C@@H](NCCF)C(=O)O 269956a_100011998655_100011217306 [0,1,0,0,0,0|2,0,1]=4 191 B10R0.88 COC[C@@H](NCCO)C(=O)O 269956a_100011998655_100000211926 [0,1,0,0,0,0|2,0,1]=4 192 B10R0.88 COC[C@@H](NCSC)C(=O)O 269956a_100011998655_100011218213 [0,1,0,0,0,0|2,0,1]=4 193 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [0,1,0,0,0,0|2,0,1]=4 194 B10R0.88 CSCN[C@@H](CSC)C(=O)O 269956a_100011421858_100011218213 [0,1,0,0,0,0|2,0,1]=4 195 B10R0.88 CSCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011218213 [0,1,0,0,0,0|2,0,1]=4 196 B10R0.88 CSC[C@H](NCC#N)C(=O)O 269956a_100011421858_100011215382 [0,1,0,0,0,0|2,0,1]=4 197 B10R0.88 CSC[C@H](NCC=O)C(=O)O 269956a_100011421858_200015260668 [0,1,0,0,0,0|2,0,0]=3 198 B10R0.88 CSC[C@H](NCCF)C(=O)O 269956a_100011421858_100011217306 [0,1,0,0,0,0|2,0,1]=4 199 B10R0.88 CSC[C@H](NCCO)C(=O)O 269956a_100011421858_100000211926 [0,1,0,0,0,0|2,0,1]=4 200 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [0,1,0,0,0,0|2,0,1]=4 201 B10R0.88 C[Se]C[C@H](NCC#N)C(=O)O 269956a_100015254316_100011215382 [0,1,0,0,0,0|2,0,1]=4 202 B10R0.88 C[Se]C[C@H](NCC=O)C(=O)O 269956a_100015254316_200015260668 [0,1,0,0,0,0|2,0,0]=3 203 B10R0.88 C[Se]C[C@H](NCCF)C(=O)O 269956a_100015254316_100011217306 [0,1,0,0,0,0|2,0,1]=4 204 B10R0.88 C[Se]C[C@H](NCCO)C(=O)O 269956a_100015254316_100000211926 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [0,0,0,1,0,0|1,0,2]=4 206 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [0,0,0,1,0,0|1,0,2]=4 207 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,0,0,1,0,0|2,0,1]=4 208 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,0,0,1,0,0|2,0,1]=4 209 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,0,0,1,0,0|2,0,1]=4 210 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,0,0,1,0,0|2,0,1]=4 211 B10R1.39 CCC1C=CCN1C(=O)C 11a_100000730860_100015343762 [0,0,0,1,0,0|2,0,0]=3 212 B10R1.39 CCC1C=CCN1C(=O)C 1626a_100000730860_100015343762 [0,0,0,1,0,0|2,0,0]=3 213 B10R1.39 CCC1C=CCN1C(=O)C 240690a_100000730860_100015343762 [0,0,0,1,0,0|2,0,0]=3 214 B10R1.39 CCC1C=CCN1C(=O)C 527a_100000730860_100103153847 [0,0,0,1,0,0|2,0,0]=3 215 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,0,0,1,0,0|1,0,2]=4 216 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,0,0,1,0,0|1,0,2]=4 217 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,0,0,1,0,0|2,0,1]=4 218 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,0,0,1,0,0|2,0,1]=4 219 B10R1.58 CC(=O)C1CC(=O)N(C1)C 1458a_100000187535_200000210301 [0,0,0,1,0,0|3,0,0]=4 220 B10R1.58 CN1CC(CC1=O)C(=O)[13CH3] 1458a_100000187535_200025704644 [0,0,0,1,0,0|3,0,0]=4 221 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,0,0|1,0,2]=4 222 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,0,0,1,0,0|2,0,1]=4 223 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,0,0,1,0,0|2,0,1]=4 224 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,0,0,1,0,0|3,0,0]=4 225 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,1,0,0|3,0,0]=4 226 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,0,0|1,0,2]=4 227 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,0,0,1,0,0|2,0,1]=4 228 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,0,0,1,0,0|2,0,1]=4 229 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,0,0,1,0,0|2,0,1]=4 230 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,0,0,1,0,0|2,0,1]=4 231 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,0,0,1,0,0|2,0,1]=4 232 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,0,0,1,0,0|3,0,0]=4 233 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,1,0,0|3,0,0]=4 234 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,0,0,1,0,0|2,0,1]=4 235 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,0,0,1,0,0|2,0,1]=4 236 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,0,0,1,0,0|2,0,1]=4 237 B10R1.130 CC1CC(C(=O)O1)SCF 62a_100015361967_200000216747 [0,0,0,1,0,0|2,0,1]=4 238 B10R1.130 CC1CC(C(=O)O1)SCF 62a_200000216747_100015361967 [0,0,0,1,0,0|2,0,1]=4 239 B10R1.130 CCNC1CC(=O)NC1=O 2230a_100102712934_100000210202 [0,0,0,1,0,0|3,0,0]=4 240 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [0,0,0,1,0,0|1,0,2]=4 241 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [0,0,0,1,0,0|1,0,2]=4 242 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [0,0,0,1,0,0|1,0,2]=4 243 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [0,0,0,1,0,0|1,0,2]=4 244 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,0,0,1,0,0|1,0,2]=4 245 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,1,0,0|1,0,2]=4 246 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,1,0,0|1,0,2]=4 247 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,0,0,1,0,0|1,0,2]=4 248 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,1,0,0|1,0,2]=4 249 B10R1.381 CCNC1(CCC1)C(=O)O 269956a_100000688724_100000210202 [0,0,0,1,0,0|1,0,2]=4 250 B10R1.381 CNCC1(CCC1)C(=O)O 269956a_100000729485_200000210301 [0,0,0,1,0,0|1,0,1]=3 251 B10R1.381 COCC1(CCC1)C(=O)C 1458a_100000728662_200000210301 [0,0,0,1,0,0|2,0,1]=4 252 B10R1.381 COCC1(CCC1)C(=O)[13CH3] 1458a_100000728662_200025704644 [0,0,0,1,0,0|2,0,1]=4 253 B10R1.381 O=C(O)C1(CCC1)NCF 269956a_100000688724_100015361967 [0,0,0,1,0,0|2,0,1]=4 254 B10R1.381 [13CH3]NCC1(CCC1)C(=O)O 269956a_100000729485_200025704644 [0,0,0,1,0,0|1,0,1]=3 255 B10R0.79 C#CCN(CC=C)CC(=O)O 269956a_100000744315_100000184674 [0,0,0,0,0,1|1,0,2]=4 256 B10R0.79 C#CCN(CC=C)CC(=O)O 269956a_100011236498_100000210623 [0,0,0,0,0,1|1,0,2]=4 257 B10R0.79 C#CCN(CCC)CC(=O)O 269956a_100011236498_100000210207 [0,0,0,0,0,1|1,0,2]=4 258 B10R0.79 C=CCC(CCC)OC(C)C 34a_100011215139_100000210206 [0,0,0,0,0,1|2,0,1]=4 259 B10R0.79 C=CCC(CCC)OC(C)C 7a_100011215139_100000210206 [0,0,0,0,0,1|2,0,1]=4 260 B10R0.79 C=CCN(CC#N)CC(=O)O 269956a_100000744315_100011215382 [0,0,0,0,0,1|2,0,1]=4 261 B10R0.79 C=CCN(CC=C)CC(=O)O 269956a_100000744315_100000210623 [0,0,0,0,0,1|1,0,2]=4 262 B10R0.79 C=CCN(CC=O)CC(=O)O 269956a_100000744315_200015260668 [0,0,0,0,0,1|2,0,1]=4 263 B10R0.79 C=CCN(CCC)CC(=C)Br 2230a_100011364060_100000210303 [0,0,0,0,0,1|3,0,0]=4 264 B10R0.79 C=CCN(CCC)CC(=O)O 269956a_100000744315_100000210207 [0,0,0,0,0,1|1,0,0]=2 265 B10R0.79 C=CCN(CCF)CC(=O)O 269956a_100000744315_100011217306 [0,0,0,0,0,1|2,0,0]=3 266 B10R0.79 C=CCN(CCO)CC(=O)O 269956a_100000744315_100000211926 [0,0,0,0,0,1|2,0,0]=3 267 B10R0.79 C=CCN(CCO)CC(=O)O 269956a_100000747938_100000210623 [0,0,0,0,0,1|2,0,0]=3 268 B10R0.79 C=CCN(COC)CC(=O)O 269956a_100000744315_100000766300 [0,0,0,0,0,1|2,0,0]=3 269 B10R0.79 C=CCN(CSC)CC(=O)O 269956a_100000744315_100011218213 [0,0,0,0,0,1|2,0,0]=3 270 B10R0.79 CCCC(CCC)NC(=O)C 11a_100011207992_100015343762 [0,0,0,0,0,1|1,0,2]=4 271 B10R0.79 CCCC(CCC)NC(=O)C 1626a_100011207992_100015343762 [0,0,0,0,0,1|1,0,2]=4 272 B10R0.79 CCCC(CCC)NC(=O)C 240690a_100011207992_100015343762 [0,0,0,0,0,1|1,0,2]=4 273 B10R0.79 CCCC(CCC)NC(=O)C 527a_100011207992_100103153847 [0,0,0,0,0,1|1,0,2]=4 274 B10R0.79 CCCN(CCO)CC(=O)O 269956a_100000747938_100000210207 [0,0,0,0,0,1|2,0,1]=4 275 B10R0.79 CCC[C@@H](CCO)NC(=O)C 240690a_100015193777_100015343762 [0,0,0,0,0,1|2,0,1]=4 276 B10R0.79 CCC[C@@H](CCO)NC(=O)C 527a_100015193777_100103153847 [0,0,0,0,0,1|2,0,1]=4 277 B10R0.79 O=CCN(CCO)CC(=O)O 269956a_100000747938_200015260668 [0,0,0,0,0,1|3,0,0]=4 278 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [2,0,0,0,0,0|1,0,0]=3 279 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [2,0,0,0,0,0|1,0,0]=3 280 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [2,0,0,0,0,0|2,0,0]=4 281 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [2,0,0,0,0,0|2,0,0]=4 282 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [2,0,0,0,0,0|2,0,0]=4 283 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [2,0,0,0,0,0|2,0,0]=4 284 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [2,0,0,0,0,0|2,0,0]=4 285 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [2,0,0,0,0,0|2,0,0]=4 286 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [2,0,0,0,0,0|2,0,0]=4 287 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|1,0,0]=3 288 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|1,0,0]=3 289 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|1,0,0]=3 290 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|1,0,0]=3 291 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 292 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 293 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 294 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [2,0,0,0,0,0|2,0,0]=4 295 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [2,0,0,0,0,0|2,0,0]=4 296 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [2,0,0,0,0,0|2,0,0]=4 297 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [2,0,0,0,0,0|2,0,0]=4 298 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [2,0,0,0,0,0|2,0,0]=4 299 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [2,0,0,0,0,0|1,0,0]=3 300 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [2,0,0,0,0,0|2,0,0]=4 301 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [2,0,0,0,0,0|2,0,0]=4 302 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [2,0,0,0,0,0|2,0,0]=4 303 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [2,0,0,0,0,0|2,0,0]=4 304 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [2,0,0,0,0,0|2,0,0]=4 305 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [2,0,0,0,0,0|2,0,0]=4 306 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [2,0,0,0,0,0|1,0,1]=4 307 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [2,0,0,0,0,0|2,0,0]=4 308 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [2,0,0,0,0,0|2,0,0]=4 309 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [2,0,0,0,0,0|2,0,0]=4 310 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [2,0,0,0,0,0|2,0,0]=4 311 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [2,0,0,0,0,0|2,0,0]=4 312 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [2,0,0,0,0,0|2,0,0]=4 313 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [2,0,0,0,0,0|2,0,0]=4 314 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [2,0,0,0,0,0|2,0,0]=4 315 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|1,0,0]=3 316 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [2,0,0,0,0,0|2,0,0]=4 317 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [2,0,0,0,0,0|2,0,0]=4 318 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [2,0,0,0,0,0|2,0,0]=4 319 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [2,0,0,0,0,0|2,0,0]=4 320 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [2,0,0,0,0,0|2,0,0]=4 321 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [2,0,0,0,0,0|2,0,0]=4 322 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [2,0,0,0,0,0|2,0,0]=4 323 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [2,0,0,0,0,0|2,0,0]=4 324 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [2,0,0,0,0,0|2,0,0]=4 325 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [2,0,0,0,0,0|2,0,0]=4 326 B7R0.12 C=CC(C=C)OCC 34a_100000033096_100000210202 [2,0,0,0,0,0|2,0,0]=4 327 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [2,0,0,0,0,0|2,0,0]=4 328 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [2,0,0,0,0,0|2,0,0]=4 329 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [2,0,0,0,0,0|2,0,0]=4 330 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [2,0,0,0,0,0|2,0,0]=4 331 B7R0.12 C=CCC(C=C)OC 34a_100000038011_200000210301 [2,0,0,0,0,0|2,0,0]=4 332 B7R0.12 C=CCC(C=C)OC 7a_100000038011_200000210301 [2,0,0,0,0,0|2,0,0]=4 333 B7R0.12 C=CCC(C=C)O[13CH3] 34a_100000038011_200025704644 [2,0,0,0,0,0|2,0,0]=4 334 B7R0.12 C=CCC(C=C)O[13CH3] 7a_100000038011_200025704644 [2,0,0,0,0,0|2,0,0]=4 335 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [2,0,0,0,0,0|1,0,1]=4 336 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [2,0,0,0,0,0|1,0,1]=4 337 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [2,0,0,0,0,0|1,0,1]=4 338 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [2,0,0,0,0,0|1,0,1]=4 339 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [2,0,0,0,0,0|2,0,0]=4 340 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [2,0,0,0,0,0|2,0,0]=4 341 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [2,0,0,0,0,0|2,0,0]=4 342 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [2,0,0,0,0,0|2,0,0]=4 343 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [2,0,0,0,0,0|1,0,0]=3 344 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [2,0,0,0,0,0|1,0,0]=3 345 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [2,0,0,0,0,0|1,0,1]=4 346 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [2,0,0,0,0,0|1,0,1]=4 347 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [2,0,0,0,0,0|1,0,1]=4 348 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [2,0,0,0,0,0|1,0,1]=4 349 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [2,0,0,0,0,0|1,0,1]=4 350 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [2,0,0,0,0,0|2,0,0]=4 351 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [2,0,0,0,0,0|2,0,0]=4 352 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [2,0,0,0,0,0|0,0,1]=3 353 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [2,0,0,0,0,0|0,0,1]=3 354 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [2,0,0,0,0,0|1,0,1]=4 355 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [2,0,0,0,0,0|1,0,1]=4 356 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [2,0,0,0,0,0|1,0,1]=4 357 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [2,0,0,0,0,0|1,0,1]=4 358 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [2,0,0,0,0,0|1,0,1]=4 359 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [2,0,0,0,0,0|1,0,1]=4 360 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [2,0,0,0,0,0|1,0,1]=4 361 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [2,0,0,0,0,0|1,0,1]=4 362 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [2,0,0,0,0,0|1,0,1]=4 363 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [2,0,0,0,0,0|1,0,1]=4 364 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [2,0,0,0,0,0|1,0,1]=4 365 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [2,0,0,0,0,0|1,0,1]=4 366 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [2,0,0,0,0,0|1,0,1]=4 367 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [2,0,0,0,0,0|1,0,1]=4 368 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [2,0,0,0,0,0|1,0,1]=4 369 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [2,0,0,0,0,0|1,0,1]=4 370 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [2,0,0,0,0,0|1,0,1]=4 371 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [2,0,0,0,0,0|1,0,1]=4 372 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [2,0,0,0,0,0|2,0,0]=4 373 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [2,0,0,0,0,0|2,0,0]=4 374 B9R0.12 C#CC(=O)C(CC)CCC 1458a_100000211873_100011219200 [1,1,0,0,0,0|1,0,1]=4 375 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [1,1,0,0,0,0|1,0,1]=4 376 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [1,1,0,0,0,0|1,0,1]=4 377 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [1,1,0,0,0,0|1,0,1]=4 378 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [1,1,0,0,0,0|1,0,1]=4 379 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [1,1,0,0,0,0|0,0,1]=3 380 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [1,1,0,0,0,0|1,0,1]=4 381 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [1,1,0,0,0,0|1,0,1]=4 382 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [1,1,0,0,0,0|1,0,1]=4 383 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [1,1,0,0,0,0|1,0,1]=4 384 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [1,1,0,0,0,0|1,0,1]=4 385 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [1,1,0,0,0,0|1,0,1]=4 386 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [1,1,0,0,0,0|1,0,1]=4 387 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [1,1,0,0,0,0|1,0,1]=4 388 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [1,1,0,0,0,0|1,0,1]=4 389 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [1,1,0,0,0,0|1,0,1]=4 390 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [1,1,0,0,0,0|1,0,1]=4 391 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [1,1,0,0,0,0|1,0,1]=4 392 B9R0.12 CCCN(CC)C(=O)CO 240690a_100000226822_100000210174 [1,1,0,0,0,0|1,0,1]=4 393 B9R0.12 CCCN(CC)C(=O)CO 527a_100000226822_100000210174 [1,1,0,0,0,0|1,0,1]=4 394 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [1,1,0,0,0,0|1,0,1]=4 395 B9R0.12 CCOC(C=O)C(=O)OC 34a_100121572206_100000046368 [1,1,0,0,0,0|2,0,0]=4 396 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [1,1,0,0,0,0|1,0,1]=4 397 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [1,1,0,0,0,0|1,0,1]=4 398 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [1,1,0,0,0,0|1,0,1]=4 399 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [1,1,0,0,0,0|2,0,0]=4 400 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [1,1,0,0,0,0|2,0,0]=4 401 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000046368_100000210202 [1,1,0,0,0,0|2,0,0]=4 402 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000210202_100000046368 [1,1,0,0,0,0|2,0,0]=4 403 B9R0.12 CCSC(CC)C(=O)OC 62a_100000210202_100000235869 [1,1,0,0,0,0|1,0,1]=4 404 B9R0.12 CCSC(CC)C(=O)OC 62a_100000235869_100000210202 [1,1,0,0,0,0|1,0,1]=4 405 B9R0.12 CCSC(CO)C(=O)OC 62a_100000210202_100012276630 [1,1,0,0,0,0|2,0,0]=4 406 B9R0.12 CCSC(CO)C(=O)OC 62a_100012276630_100000210202 [1,1,0,0,0,0|2,0,0]=4 407 B9R0.13 C#CCN[C@@H](C=C)C(=O)O 269956a_100016992060_100000184674 [1,1,0,0,0,0|0,0,2]=4 408 B9R0.13 C#CCN[C@H](CC)C(=O)O 269956a_100000747097_100000184674 [1,1,0,0,0,0|0,0,2]=4 409 B9R0.13 C=CCNC(CC)C(=O)N 2230a_100000733705_100000210623 [1,1,0,0,0,0|1,0,0]=3 410 B9R0.13 C=CCNC(CC)C(=O)N 2230a_100020586998_100000750255 [1,1,0,0,0,0|1,0,0]=3 411 B9R0.13 C=CCNC(CC)C(=O)N 34a_100000733705_100015514636 [1,1,0,0,0,0|1,0,0]=3 412 B9R0.13 C=CCNC(CO)C(=O)O 269956a_100000187304_100000210623 [1,1,0,0,0,0|1,0,0]=3 413 B9R0.13 C=CCN[C@@H](C=C)C(=O)O 269956a_100016992060_100000210623 [1,1,0,0,0,0|0,0,2]=4 414 B9R0.13 C=CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210623 [1,1,0,0,0,0|1,0,1]=4 415 B9R0.13 C=CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100015514636 [1,1,0,0,0,0|1,0,1]=4 416 B9R0.13 C=CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210623 [1,1,0,0,0,0|2,0,0]=4 417 B9R0.13 C=CCN[C@@H](CO)C(=O)N 34a_100000729942_100015514636 [1,1,0,0,0,0|2,0,0]=4 418 B9R0.13 C=CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210623 [1,1,0,0,0,0|0,0,0]=2 419 B9R0.13 C=CCOC(CC)C(=O)N 34a_200000210373_100000750255 [1,1,0,0,0,0|1,0,0]=3 420 B9R0.13 C=CCSC(CC)C(=O)N 62a_100000210623_100000750255 [1,1,0,0,0,0|1,0,0]=3 421 B9R0.13 C=CCSC(CC)C(=O)N 62a_100000750255_100000210623 [1,1,0,0,0,0|1,0,0]=3 422 B9R0.13 C=C[C@H](NCC#N)C(=O)O 269956a_100016992060_100011215382 [1,1,0,0,0,0|1,0,1]=4 423 B9R0.13 C=C[C@H](NCC=O)C(=O)O 269956a_100016992060_200015260668 [1,1,0,0,0,0|1,0,1]=4 424 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [1,1,0,0,0,0|0,0,0]=2 425 B9R0.13 C=C[C@H](NCCF)C(=O)O 269956a_100016992060_100011217306 [1,1,0,0,0,0|1,0,0]=3 426 B9R0.13 C=C[C@H](NCCO)C(=O)O 269956a_100016992060_100000211926 [1,1,0,0,0,0|1,0,0]=3 427 B9R0.13 C=C[C@H](NCOC)C(=O)O 269956a_100016992060_100000766300 [1,1,0,0,0,0|1,0,0]=3 428 B9R0.13 C=C[C@H](NCSC)C(=O)O 269956a_100016992060_100011218213 [1,1,0,0,0,0|1,0,0]=3 429 B9R0.13 CCC(NCC=O)C(=O)N 2230a_100000733705_200015260668 [1,1,0,0,0,0|2,0,0]=4 430 B9R0.13 CCC(NCC=O)C(=O)N 34a_100000733705_200009817547 [1,1,0,0,0,0|2,0,0]=4 431 B9R0.13 CCC(SCC=O)C(=O)N 62a_100000750255_200015260668 [1,1,0,0,0,0|2,0,0]=4 432 B9R0.13 CCC(SCC=O)C(=O)N 62a_200015260668_100000750255 [1,1,0,0,0,0|2,0,0]=4 433 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [1,1,0,0,0,0|1,0,1]=4 434 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [1,1,0,0,0,0|1,0,1]=4 435 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [1,1,0,0,0,0|1,0,1]=4 436 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [1,1,0,0,0,0|1,0,1]=4 437 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [1,1,0,0,0,0|1,0,1]=4 438 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [1,1,0,0,0,0|1,0,0]=3 439 B9R0.13 CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210303 [1,1,0,0,0,0|2,0,0]=4 440 B9R0.13 CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210303 [1,1,0,0,0,0|2,0,0]=4 441 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [1,1,0,0,0,0|0,0,1]=3 442 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [1,1,0,0,0,0|1,0,1]=4 443 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [1,1,0,0,0,0|1,0,1]=4 444 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [1,1,0,0,0,0|1,0,1]=4 445 B9R0.13 CC[C@@H](NCC#N)C(=O)O 269956a_100000747097_100011215382 [1,1,0,0,0,0|1,0,1]=4 446 B9R0.13 CC[C@@H](NCC=O)C(=O)O 269956a_100000747097_200015260668 [1,1,0,0,0,0|1,0,0]=3 447 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [1,1,0,0,0,0|1,0,1]=4 448 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [1,1,0,0,0,0|1,0,1]=4 449 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [1,1,0,0,0,0|1,0,1]=4 450 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [1,1,0,0,0,0|1,0,1]=4 451 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,1,0,0,0,0|1,0,1]=4 452 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,1,0,0,0,0|1,0,1]=4 453 B9R0.13 COCNC(CO)C(=O)O 269956a_100000187304_100000766300 [1,1,0,0,0,0|2,0,0]=4 454 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,1,0,0,0,0|1,0,1]=4 455 B9R0.13 CSCNC(CO)C(=O)O 269956a_100000187304_100011218213 [1,1,0,0,0,0|2,0,0]=4 456 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,1,0,0,0,0|1,0,1]=4 457 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [1,1,0,0,0,0|2,0,0]=4 458 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [1,1,0,0,0,0|2,0,0]=4 459 B9R0.13 O=CCNC(CO)C(=O)O 269956a_100000187304_200015260668 [1,1,0,0,0,0|2,0,0]=4 460 B9R0.29 C=CC(=O)C(CC)C(=O)N 1458a_100000185746_100000750255 [1,1,0,0,0,0|1,0,1]=4 461 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [1,1,0,0,0,0|2,0,0]=4 462 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [1,1,0,0,0,0|1,0,1]=4 463 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [1,1,0,0,0,0|1,0,1]=4 464 B9R0.33 C=CCN(C(=O)C)C(C)C 11a_100000742772_100015343762 [1,1,0,0,0,0|2,0,0]=4 465 B9R0.33 C=CCN(C(=O)C)C(C)C 1626a_100000742772_100015343762 [1,1,0,0,0,0|2,0,0]=4 466 B9R0.33 C=CCN(C(=O)C)C(C)C 240690a_100000742772_100015343762 [1,1,0,0,0,0|2,0,0]=4 467 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [1,1,0,0,0,0|1,0,1]=4 468 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [1,1,0,0,0,0|1,0,1]=4 469 B9R0.39 C=C(C)CN(CC)C(=O)C 11a_100000211296_100015343762 [1,1,0,0,0,0|2,0,0]=4 470 B9R0.39 C=C(C)CN(CC)C(=O)C 1626a_100000211296_100015343762 [1,1,0,0,0,0|2,0,0]=4 471 B9R0.39 C=C(C)CN(CC)C(=O)C 527a_100000211296_100103153847 [1,1,0,0,0,0|2,0,0]=4 472 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [1,1,0,0,0,0|1,0,0]=3 473 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [1,1,0,0,0,0|2,0,0]=4 474 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [1,1,0,0,0,0|1,0,1]=4 475 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [1,1,0,0,0,0|1,0,1]=4 476 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [1,1,0,0,0,0|1,0,1]=4 477 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [1,1,0,0,0,0|1,0,1]=4 478 B9R0.74 CCNC(C)(CC)C(=O)O 269956a_100025756313_100000210202 [1,1,0,0,0,0|1,0,1]=4 479 B9R0.14 C=CCC(C=C)OC(C)C 34a_100000038011_100000210206 [1,1,0,0,0,0|2,0,0]=4 480 B9R0.14 C=CCC(C=C)OC(C)C 7a_100000038011_100000210206 [1,1,0,0,0,0|2,0,0]=4 481 B9R0.14 C=CC[C@H](CO)NC(C)C 2230a_100020615467_100000210206 [1,1,0,0,0,0|1,0,1]=4 482 B9R0.17 C=CCC(CC=C)OCC 7a_100011215198_100000210202 [1,1,0,0,0,0|2,0,0]=4 483 B9R0.17 C=CCC(CCC)OCC 34a_100011215139_100000210202 [1,1,0,0,0,0|1,0,1]=4 484 B9R0.17 C=CCC(CCC)OCC 7a_100011215139_100000210202 [1,1,0,0,0,0|1,0,1]=4 485 B9R0.17 C=CCC(CCC)OCF 34a_100011215139_100015361967 [1,1,0,0,0,0|1,0,1]=4 486 B9R0.17 C=CCC(CCC)OCF 7a_100011215139_100015361967 [1,1,0,0,0,0|1,0,1]=4 487 B9R0.17 C=CCN(CC=C)CCC 2230a_100000210471_100000210303 [1,1,0,0,0,0|2,0,0]=4 488 B9R0.17 C=CCN(CC=C)CCC 269982a_100000210471_100000210303 [1,1,0,0,0,0|2,0,0]=4 489 B9R0.17 C=CCN(CCC)CCO 2230a_100000211420_100000210623 [1,1,0,0,0,0|1,0,1]=4 490 B9R0.17 C=CCN(CCC)CCO 269982a_100000211420_100000210623 [1,1,0,0,0,0|1,0,1]=4 491 B9R0.40 C#CC(CCC)OCC=C 34a_200011217317_100015514636 [1,1,0,0,0,0|1,0,1]=4 492 B9R0.40 C#CC(CCC)OCC=C 7a_200011217317_100015514636 [1,1,0,0,0,0|1,0,1]=4 493 B9R0.40 C=CC(CCC)OCC=O 34a_100011216692_200009817547 [1,1,0,0,0,0|2,0,0]=4 494 B9R0.40 C=CC(CCC)OCC=O 7a_100011216692_200015260668 [1,1,0,0,0,0|2,0,0]=4 495 B9R0.40 C=CCC(C=C)OCCC 34a_100000038011_100000210303 [1,1,0,0,0,0|1,0,0]=3 496 B9R0.40 C=CCC(C=C)OCCC 7a_100000038011_100000210303 [1,1,0,0,0,0|1,0,0]=3 497 B9R0.40 C=CCC(C=C)OCCF 34a_100000038011_100011217306 [1,1,0,0,0,0|2,0,0]=4 498 B9R0.40 C=CCC(C=C)OCCF 7a_100000038011_100011217306 [1,1,0,0,0,0|2,0,0]=4 499 B9R0.40 C=CCC(C=C)OCCO 34a_100000038011_100000211926 [1,1,0,0,0,0|2,0,0]=4 500 B9R0.40 C=CCC(C=C)OCCO 7a_100000038011_100000211926 [1,1,0,0,0,0|2,0,0]=4 501 B9R0.40 C=CCC(C=C)OCSC 34a_100000038011_100011218213 [1,1,0,0,0,0|2,0,0]=4 502 B9R0.40 C=CCC(CCCC)OC 34a_200011216941_200000210301 [1,1,0,0,0,0|2,0,0]=4 503 B9R0.40 C=CCC(CCCC)OC 7a_200011216941_200000210301 [1,1,0,0,0,0|2,0,0]=4 504 B9R0.40 C=CCC(CCCC)O[13CH3] 34a_200011216941_200025704644 [1,1,0,0,0,0|2,0,0]=4 505 B9R0.40 C=CCC(CCCC)O[13CH3] 7a_200011216941_200025704644 [1,1,0,0,0,0|2,0,0]=4 506 B9R0.40 C=CCNC(CC)CCC 2230a_100000747048_100000210623 [1,1,0,0,0,0|1,0,1]=4 507 B9R0.40 C=CCNC(CC)CCC 270004a_100020586998_100000687865 [1,1,0,0,0,0|1,0,1]=4 508 B9R0.40 C=CCNC(CO)COC 2230a_100000724102_100000210623 [1,1,0,0,0,0|1,0,1]=4 509 B9R0.40 C=CCNC(CO)COC 34a_100000724102_100015514636 [1,1,0,0,0,0|1,0,1]=4 510 B9R0.40 C=CCN[C@H](CO)CCC 2230a_100000732646_100000210623 [1,1,0,0,0,0|0,0,1]=3 511 B9R0.40 C=CCN[C@H](CO)CCC 34a_100000732646_100015514636 [1,1,0,0,0,0|0,0,1]=3 512 B9R0.40 C=CCOC(C#N)CCC 34a_100000686963_100015514636 [1,1,0,0,0,0|1,0,1]=4 513 B9R0.40 C=CCOC(C#N)CCC 7a_100000686963_100015514636 [1,1,0,0,0,0|1,0,1]=4 514 B9R0.40 C=CCOC(C=C)CCC 34a_100011216692_100015514636 [1,1,0,0,0,0|1,0,0]=3 515 B9R0.40 C=CCOC(C=C)CCC 7a_100011216692_100015514636 [1,1,0,0,0,0|1,0,0]=3 516 B9R0.40 C=CCOC(CC)CCC 34a_100000687864_100015514636 [1,1,0,0,0,0|1,0,1]=4 517 B9R0.40 C=CCOC(CC)CCC 7a_100000687864_100015514636 [1,1,0,0,0,0|1,0,1]=4 518 B9R0.40 C=CCSC(CC)CCC 62a_100000210623_100011219200 [1,1,0,0,0,0|1,0,1]=4 519 B9R0.40 C=CCSC(CC)CCC 62a_100011219200_100000210623 [1,1,0,0,0,0|1,0,1]=4 520 B9R0.40 C=CC[C@H](CO)NCCC 2230a_100020615467_100000210303 [1,1,0,0,0,0|0,0,1]=3 521 B9R0.40 C=CC[C@H](CO)NCCF 2230a_100020615467_100011217306 [1,1,0,0,0,0|1,0,1]=4 522 B9R0.40 C=CC[C@H](CO)NCCO 2230a_100020615467_100000211926 [1,1,0,0,0,0|1,0,1]=4 523 B9R0.40 C=CC[C@H](CO)NCOC 2230a_100020615467_100000766300 [1,1,0,0,0,0|1,0,1]=4 524 B9R0.40 C=CC[C@H](CO)NCSC 2230a_100020615467_100011218213 [1,1,0,0,0,0|1,0,1]=4 525 B9R0.40 CCC[C@@H](CO)NCC=O 2230a_100000732646_200015260668 [1,1,0,0,0,0|1,0,1]=4 526 B9R0.40 CCC[C@@H](CO)NCC=O 34a_100000732646_200009817547 [1,1,0,0,0,0|1,0,1]=4 527 B11R0.35 C=C(C)CN(CCO)CC(=O)O 269956a_100000747938_100000748629 [0,1,0,0,0,1|2,0,0]=4 528 B11R0.35 C=C(F)CN(CCO)CC(=O)O 269956a_100000747938_100000042424 [0,1,0,0,0,1|2,0,0]=4 529 B11R0.35 C=CCN(CC(=C)C)CC(=O)O 269956a_100000744315_100000748629 [0,1,0,0,0,1|1,0,1]=4 530 B11R0.35 C=CCN(CC(=O)O)CC(C)C 269956a_100000744315_100000210760 [0,1,0,0,0,1|1,0,0]=3 531 B11R0.35 C=CCN(CC(=O)O)CC(C)O 269956a_100000744315_100011218427 [0,1,0,0,0,1|1,0,0]=3 532 B11R0.35 C=CCN(CC(=O)O)CC(F)F 269956a_100000744315_100011934356 [0,1,0,0,0,1|2,0,0]=4 533 B11R0.35 C=CCN(CC(=O)O)C[C@@H](C)O 269956a_100000744315_100009817552 [0,1,0,0,0,1|1,0,0]=3 534 B11R0.39 C=CC(C)N(CCO)CC(=O)O 269956a_100000747938_100011215867 [0,1,0,0,0,1|2,0,0]=4 535 B11R0.39 C=CCC(NC(=O)C)C(=O)CC 1458a_100000741017_100000210202 [0,1,0,0,0,1|1,0,1]=4 536 B11R0.39 C=CCN(CC(=O)O)C(C)CC 269956a_100000744315_100000758301 [0,1,0,0,0,1|1,0,0]=3 537 B11R0.39 C=CCN(CC(=O)O)C(C)OC 269956a_100000744315_100009879195 [0,1,0,0,0,1|2,0,0]=4 538 B11R0.39 C=CCN(CC(=O)O)[C@H](C)CO 269956a_100000744315_100016084084 [0,1,0,0,0,1|2,0,0]=4 539 B11R0.47 C#CCCN(CC=C)CC(=O)O 269956a_100000744315_100000688953 [0,1,0,0,0,1|1,0,1]=4 540 B11R0.47 C/C=C/CN(CCO)CC(=O)O 269956a_100000747938_100102629194 [0,1,0,0,0,1|2,0,0]=4 541 B11R0.47 C=CCCN(CC=C)CC(=O)O 269956a_100000744315_100000754431 [0,1,0,0,0,1|1,0,1]=4 542 B11R0.47 C=CCCN(CCO)CC(=O)O 269956a_100000747938_100000754431 [0,1,0,0,0,1|2,0,0]=4 543 B11R0.47 C=CCN(C/C=C/C)CC(=O)O 269956a_100000744315_100102629194 [0,1,0,0,0,1|1,0,1]=4 544 B11R0.47 C=CCN(CC#CC)CC(=O)O 269956a_100000744315_100000748600 [0,1,0,0,0,1|1,0,1]=4 545 B11R0.47 C=CCN(CCC#N)CC(=O)O 269956a_100000744315_100011215226 [0,1,0,0,0,1|1,0,1]=4 546 B11R0.47 C=CCN(CCC#N)CC(=O)O 269956a_100011218032_100000210623 [0,1,0,0,0,1|1,0,1]=4 547 B11R0.47 C=CCN(CCCC)CC(=O)O 269956a_100000744315_100000210211 [0,1,0,0,0,1|1,0,0]=3 548 B11R0.47 C=CCN(CCCF)CC(=O)O 269956a_100000744315_100011934791 [0,1,0,0,0,1|1,0,0]=3 549 B11R0.47 C=CCN(CCCO)CC(=O)O 269956a_100000744315_100011215043 [0,1,0,0,0,1|1,0,0]=3 550 B11R0.47 C=CCN(CCOC)CC(=O)O 269956a_100000744315_100000233755 [0,1,0,0,0,1|1,0,0]=3 551 B11R0.47 C=CCN(CCSC)CC(=O)O 269956a_100000744315_100000212216 [0,1,0,0,0,1|1,0,0]=3 552 B11R0.47 C=CCN(COCC)CC(=O)O 269956a_100000744315_100000739092 [0,1,0,0,0,1|1,0,0]=3 553 B11R0.98 C=CCN(CCO)C(C)C(=O)O 269956a_100011300695_100000210623 [0,1,0,0,0,1|2,0,0]=4 554 B11R0.279 C=CCC(CCC)OC(C)CO 34a_100011215139_100012180447 [0,1,0,0,0,1|1,0,1]=4 555 B11R0.279 C=CCC(CCC)OC(C)CO 7a_100011215139_100012180447 [0,1,0,0,0,1|1,0,1]=4 556 B11R0.279 CCCC(CCC)NC(=O)CO 240690a_100011207992_100000210174 [0,1,0,0,0,1|0,0,2]=4 557 B11R0.279 CCCC(CCC)NC(=O)CO 527a_100011207992_100000210174 [0,1,0,0,0,1|0,0,2]=4 558 B11R0.279 CCC[C@@H](CCO)NC(=O)CO 240690a_100015193777_100000210174 [0,1,0,0,0,1|1,0,1]=4 559 B11R0.279 CCC[C@@H](CCO)NC(=O)CO 527a_100015193777_100000210174 [0,1,0,0,0,1|1,0,1]=4 560 B11R0.160 C=C(C)CC(OCCC)C(=C)C 34a_200000034272_100000210303 [0,2,0,0,0,0|2,0,0]=4 561 B11R0.160 C=C(C)CC(OCCC)C(=C)C 7a_200000034272_100000210303 [0,2,0,0,0,0|2,0,0]=4 562 B11R0.160 C=CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210623 [0,2,0,0,0,0|1,0,0]=3 563 B11R0.160 C=CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100015514636 [0,2,0,0,0,0|1,0,0]=3 564 B11R0.160 C=CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210623 [0,2,0,0,0,0|1,0,0]=3 565 B11R0.160 CC(C)C[C@H](NCC=O)C(=O)N 2230a_100016989234_200015260668 [0,2,0,0,0,0|2,0,0]=4 566 B11R0.160 CC(C)C[C@H](NCC=O)C(=O)N 34a_100016989234_200009817547 [0,2,0,0,0,0|2,0,0]=4 567 B11R0.160 CCCN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000210303 [0,2,0,0,0,0|2,0,0]=4 568 B11R0.160 CCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210207 [0,2,0,0,0,0|1,0,1]=4 569 B11R0.160 CS(=O)C[C@H](NCC=O)C(=O)O 269956a_100009817418_200015260668 [0,2,0,0,0,0|2,0,0]=4 570 B11R0.236 C#CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_200000035995 [0,2,0,0,0,0|0,0,2]=4 571 B11R0.236 C=CC(=O)N[C@@H](CCC)C(=O)N 1626a_100000729256_100000185746 [0,2,0,0,0,0|1,0,1]=4 572 B11R0.236 C=CC(=O)N[C@@H](CCC)C(=O)N 240690a_100000729256_200121576911 [0,2,0,0,0,0|1,0,1]=4 573 B11R0.236 C=CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100011215867 [0,2,0,0,0,0|0,0,0]=2 574 B11R0.236 C=CC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100011215867 [0,2,0,0,0,0|1,0,0]=3 575 B11R0.236 C=CC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011215867 [0,2,0,0,0,0|1,0,0]=3 576 B11R0.236 C=CC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100011215867 [0,2,0,0,0,0|1,0,0]=3 577 B11R0.236 CCC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000758301 [0,2,0,0,0,0|1,0,1]=4 578 B11R0.236 CCC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000758301 [0,2,0,0,0,0|1,0,1]=4 579 B11R0.236 CCC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100000758301 [0,2,0,0,0,0|1,0,1]=4 580 B11R0.236 CCC[C@H](NC(C)C#N)C(=O)O 269956a_100000750406_100000184139 [0,2,0,0,0,0|1,0,1]=4 581 B11R0.236 CCC[C@H](NC(C)CC)C(=O)O 269956a_100000750406_100000758301 [0,2,0,0,0,0|0,0,2]=4 582 B11R0.236 CCC[C@H](NC(C)OC)C(=O)O 269956a_100000750406_100009879195 [0,2,0,0,0,0|1,0,1]=4 583 B11R0.236 CCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000750406_100016084084 [0,2,0,0,0,0|1,0,1]=4 584 B11R0.41 C=CC(=O)C(CCC)C(=O)OC 1458a_100000185746_200009843822 [0,2,0,0,0,0|0,0,1]=3 585 B11R0.41 C=CC(=O)C(COC)C(=O)OC 1458a_100000185746_100000717350 [0,2,0,0,0,0|1,0,1]=4 586 B11R0.167 C#CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000184674 [0,2,0,0,0,0|0,0,2]=4 587 B11R0.167 C/C=C/CN(C(=O)C)C(C)CC 11a_100020603311_100015343762 [0,2,0,0,0,0|2,0,0]=4 588 B11R0.167 C/C=C/CN(C(=O)C)C(C)CC 1626a_100020603311_100015343762 [0,2,0,0,0,0|2,0,0]=4 589 B11R0.167 C/C=C/CN(C(=O)C)C(C)CC 240690a_100020603311_100015343762 [0,2,0,0,0,0|2,0,0]=4 590 B11R0.167 C/C=C/CN(C(=O)C)C(C)CC 527a_100020603311_100103153847 [0,2,0,0,0,0|2,0,0]=4 591 B11R0.167 C=CC(=O)C(CCCC)C(=O)N 1458a_100000185746_100000748834 [0,2,0,0,0,0|1,0,1]=4 592 B11R0.167 C=CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210623 [0,2,0,0,0,0|0,0,0]=2 593 B11R0.167 C=CCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210623 [0,2,0,0,0,0|1,0,0]=3 594 B11R0.167 C=CCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210623 [0,2,0,0,0,0|1,0,0]=3 595 B11R0.167 CCCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210207 [0,2,0,0,0,0|0,0,2]=4 596 B11R0.167 CCCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210207 [0,2,0,0,0,0|1,0,1]=4 597 B11R0.167 CC[C@H](C)[C@@H](NCC#N)C(=O)O 269956a_100009815163_100011215382 [0,2,0,0,0,0|1,0,1]=4 598 B11R0.167 CC[C@H](C)[C@@H](NCC=O)C(=O)O 269956a_100009815163_200015260668 [0,2,0,0,0,0|1,0,0]=3 599 B11R0.167 CC[C@H](C)[C@@H](NCCF)C(=O)O 269956a_100009815163_100011217306 [0,2,0,0,0,0|1,0,1]=4 600 B11R0.167 CC[C@H](C)[C@@H](NCCO)C(=O)O 269956a_100009815163_100000211926 [0,2,0,0,0,0|1,0,1]=4 601 B11R0.167 CC[C@H](C)[C@@H](NCOC)C(=O)O 269956a_100009815163_100000766300 [0,2,0,0,0,0|1,0,1]=4 602 B11R0.167 CC[C@H](C)[C@@H](NCSC)C(=O)O 269956a_100009815163_100011218213 [0,2,0,0,0,0|1,0,1]=4 603 B11R0.167 CC[C@H](C)[C@H](NCC=O)C(=O)N 2230a_100000758034_200015260668 [0,2,0,0,0,0|2,0,0]=4 604 B11R0.167 CO[C@H](C)[C@H](NCC=O)C(=O)O 269956a_100015335849_200015260668 [0,2,0,0,0,0|2,0,0]=4 605 B11R0.38 C#CCNC(CCC)C(=O)OC 34a_100000212058_200009843822 [0,2,0,0,0,0|0,0,2]=4 606 B11R0.38 C#CCOC(CCC)C(=O)OC 34a_100000210247_200009843822 [0,2,0,0,0,0|0,0,2]=4 607 B11R0.38 C#CCSC(CCC)C(=O)OC 62a_100000038162_200009843822 [0,2,0,0,0,0|0,0,2]=4 608 B11R0.38 C=CCNC(CCC)C(=O)NC 2230a_106256046333_100000210623 [0,2,0,0,0,0|1,0,0]=3 609 B11R0.38 C=CCNC(CCC)C(=O)NC 34a_106256046333_100015514636 [0,2,0,0,0,0|1,0,0]=3 610 B11R0.38 C=CCNC(CCC)C(=O)OC 2230a_100020586998_200009843822 [0,2,0,0,0,0|0,0,0]=2 611 B11R0.38 C=CCOC(CCC)C(=O)OC 34a_200000210373_200009843822 [0,2,0,0,0,0|0,0,0]=2 612 B11R0.38 C=CCOC(COC)C(=O)OC 34a_200000210373_100000717350 [0,2,0,0,0,0|1,0,0]=3 613 B11R0.38 C=CCSC(CCC)C(=O)OC 62a_100000210623_200009843822 [0,2,0,0,0,0|0,0,0]=2 614 B11R0.38 C=CCSC(CCC)C(=O)OC 62a_200009843822_100000210623 [0,2,0,0,0,0|0,0,0]=2 615 B11R0.38 C=CCSC(COC)C(=O)OC 62a_100000210623_100000717350 [0,2,0,0,0,0|1,0,0]=3 616 B11R0.38 C=CCSC(COC)C(=O)OC 62a_100000717350_100000210623 [0,2,0,0,0,0|1,0,0]=3 617 B11R0.38 CCCC(NCC=O)C(=O)NC 2230a_106256046333_200015260668 [0,2,0,0,0,0|2,0,0]=4 618 B11R0.38 CCCC(NCC=O)C(=O)NC 34a_106256046333_200009817547 [0,2,0,0,0,0|2,0,0]=4 619 B11R0.38 CCCC(NCCF)C(=O)OC 34a_100000724931_200009843822 [0,2,0,0,0,0|1,0,1]=4 620 B11R0.38 CCCC(NCCO)C(=O)OC 2230a_100016997473_200009843822 [0,2,0,0,0,0|1,0,1]=4 621 B11R0.38 CCCC(NCCO)C(=O)OC 34a_100016990907_200009843822 [0,2,0,0,0,0|1,0,1]=4 622 B11R0.38 CCCC(OCCBr)C(=O)OC 34a_100000211926_200009843822 [0,2,0,0,0,0|1,0,1]=4 623 B11R0.38 CCCC(OCCN)C(=O)OC 34a_100000210304_200009843822 [0,2,0,0,0,0|1,0,1]=4 624 B11R0.38 CCCC(SCC#N)C(=O)OC 62a_100011215382_200009843822 [0,2,0,0,0,0|1,0,1]=4 625 B11R0.38 CCCC(SCC#N)C(=O)OC 62a_200009843822_100011215382 [0,2,0,0,0,0|1,0,1]=4 626 B11R0.38 CCCC(SCC=O)C(=O)OC 62a_200009843822_200015260668 [0,2,0,0,0,0|1,0,0]=3 627 B11R0.38 CCCC(SCC=O)C(=O)OC 62a_200015260668_200009843822 [0,2,0,0,0,0|1,0,0]=3 628 B11R0.38 CCCC(SCCF)C(=O)OC 62a_100011217306_200009843822 [0,2,0,0,0,0|1,0,1]=4 629 B11R0.38 CCCC(SCCF)C(=O)OC 62a_200009843822_100011217306 [0,2,0,0,0,0|1,0,1]=4 630 B11R0.38 CCCC(SCCO)C(=O)OC 62a_100000211926_200009843822 [0,2,0,0,0,0|1,0,1]=4 631 B11R0.38 CCCC(SCCO)C(=O)OC 62a_200009843822_100000211926 [0,2,0,0,0,0|1,0,1]=4 632 B11R0.38 CCCC(SCOC)C(=O)OC 62a_100000766300_200009843822 [0,2,0,0,0,0|1,0,1]=4 633 B11R0.38 CCCC(SCOC)C(=O)OC 62a_200009843822_100000766300 [0,2,0,0,0,0|1,0,1]=4 634 B11R0.38 CCCC(SCSC)C(=O)OC 62a_100011218213_200009843822 [0,2,0,0,0,0|1,0,1]=4 635 B11R0.38 CCCC(SCSC)C(=O)OC 62a_200009843822_100011218213 [0,2,0,0,0,0|1,0,1]=4 636 B11R0.38 CCCCC(CCC)C(=O)CO 1458a_100000210174_100000211913 [0,2,0,0,0,0|0,0,2]=4 637 B11R0.38 CCCOC(CCC)C(=O)OC 34a_100000210258_200009843822 [0,2,0,0,0,0|0,0,2]=4 638 B11R0.38 CCCOC(COC)C(=O)OC 34a_100000210258_100000717350 [0,2,0,0,0,0|1,0,1]=4 639 B11R0.38 CCCSC(CCC)C(=O)OC 62a_100000210303_200009843822 [0,2,0,0,0,0|0,0,2]=4 640 B11R0.38 CCCSC(CCC)C(=O)OC 62a_200009843822_100000210303 [0,2,0,0,0,0|0,0,2]=4 641 B11R0.38 CCCSC(COC)C(=O)OC 62a_100000210303_100000717350 [0,2,0,0,0,0|1,0,1]=4 642 B11R0.38 CCCSC(COC)C(=O)OC 62a_100000717350_100000210303 [0,2,0,0,0,0|1,0,1]=4 643 B11R0.38 COCC(SCC=O)C(=O)OC 62a_100000717350_200015260668 [0,2,0,0,0,0|2,0,0]=4 644 B11R0.38 COCC(SCC=O)C(=O)OC 62a_200015260668_100000717350 [0,2,0,0,0,0|2,0,0]=4 645 B11R0.61 CCCC(CCC)C(=O)CCO 1458a_100011215354_100000211926 [0,2,0,0,0,0|0,0,2]=4 646 B11R0.61 CCCC(CCC)C(=O)CCO 1458a_100011216618_200011218217 [0,2,0,0,0,0|0,0,2]=4 647 B11R0.61 CCCC(CCC)C(=O)COC 1458a_100000210968_200011218217 [0,2,0,0,0,0|0,0,2]=4 648 B11R0.36 C#CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000184674 [0,2,0,0,0,0|0,0,2]=4 649 B11R0.36 C#CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000184674 [0,2,0,0,0,0|0,0,2]=4 650 B11R0.36 C=CCCN(CCOC)C(=O)C 11a_100011698344_100015343762 [0,2,0,0,0,0|2,0,0]=4 651 B11R0.36 C=CCCN(CCOC)C(=O)C 1626a_100011698344_100015343762 [0,2,0,0,0,0|2,0,0]=4 652 B11R0.36 C=CCCN(CCOC)C(=O)C 240690a_100011698344_100015343762 [0,2,0,0,0,0|2,0,0]=4 653 B11R0.36 C=CCCN(CCOC)C(=O)C 527a_100011698344_100103153847 [0,2,0,0,0,0|2,0,0]=4 654 B11R0.36 C=CCNC(CCCC)C(=O)N 2230a_100020586998_100000748834 [0,2,0,0,0,0|1,0,0]=3 655 B11R0.36 C=CCN[C@@H](CCCC)C(=O)N 2230a_100000124899_100000210623 [0,2,0,0,0,0|1,0,0]=3 656 B11R0.36 C=CCN[C@@H](CCCC)C(=O)N 34a_100000124899_100015514636 [0,2,0,0,0,0|1,0,0]=3 657 B11R0.36 C=CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210623 [0,2,0,0,0,0|1,0,0]=3 658 B11R0.36 C=CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100015514636 [0,2,0,0,0,0|1,0,0]=3 659 B11R0.36 C=CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210623 [0,2,0,0,0,0|0,0,0]=2 660 B11R0.36 C=CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210623 [0,2,0,0,0,0|0,0,0]=2 661 B11R0.36 C=CCOC(CCCC)C(=O)N 34a_200000210373_100000748834 [0,2,0,0,0,0|1,0,0]=3 662 B11R0.36 C=CCSC(CCCC)C(=O)N 62a_100000210623_100000748834 [0,2,0,0,0,0|1,0,0]=3 663 B11R0.36 C=CCSC(CCCC)C(=O)N 62a_100000748834_100000210623 [0,2,0,0,0,0|1,0,0]=3 664 B11R0.36 CCCCC(SCC=O)C(=O)N 62a_100000748834_200015260668 [0,2,0,0,0,0|2,0,0]=4 665 B11R0.36 CCCCC(SCC=O)C(=O)N 62a_200015260668_100000748834 [0,2,0,0,0,0|2,0,0]=4 666 B11R0.36 CCCC[C@H](NCC=O)C(=O)N 2230a_100000124899_200015260668 [0,2,0,0,0,0|2,0,0]=4 667 B11R0.36 CCCC[C@H](NCC=O)C(=O)N 34a_100000124899_200009817547 [0,2,0,0,0,0|2,0,0]=4 668 B11R0.36 CCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210207 [0,2,0,0,0,0|0,0,2]=4 669 B11R0.36 CCCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210207 [0,2,0,0,0,0|0,0,2]=4 670 B11R0.36 COCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000766300 [0,2,0,0,0,0|1,0,1]=4 671 B11R0.36 COCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000766300 [0,2,0,0,0,0|1,0,1]=4 672 B11R0.36 CSCC[C@H](NCC#N)C(=O)O 269956a_100000743919_100011215382 [0,2,0,0,0,0|1,0,1]=4 673 B11R0.36 CSCC[C@H](NCC=O)C(=O)N 2230a_100000119342_200015260668 [0,2,0,0,0,0|2,0,0]=4 674 B11R0.36 CSCC[C@H](NCC=O)C(=O)N 34a_100000119342_200009817547 [0,2,0,0,0,0|2,0,0]=4 675 B11R0.36 CSCC[C@H](NCC=O)C(=O)O 269956a_100000743919_200015260668 [0,2,0,0,0,0|1,0,0]=3 676 B11R0.36 CSCC[C@H](NCCF)C(=O)O 269956a_100000743919_100011217306 [0,2,0,0,0,0|1,0,1]=4 677 B11R0.36 CSCC[C@H](NCCO)C(=O)O 269956a_100000743919_100000211926 [0,2,0,0,0,0|1,0,1]=4 678 B11R0.36 CSCC[C@H](NCSC)C(=O)O 269956a_100000743919_100011218213 [0,2,0,0,0,0|1,0,1]=4 679 B11R0.36 CSCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100011218213 [0,2,0,0,0,0|1,0,1]=4 680 B11R0.36 C[Se]CC[C@H](NCC#N)C(=O)O 269956a_100020619752_100011215382 [0,2,0,0,0,0|1,0,1]=4 681 B11R0.36 C[Se]CC[C@H](NCC=O)C(=O)O 269956a_100020619752_200015260668 [0,2,0,0,0,0|1,0,0]=3 682 B11R0.36 C[Se]CC[C@H](NCCF)C(=O)O 269956a_100020619752_100011217306 [0,2,0,0,0,0|1,0,1]=4 683 B11R0.36 C[Se]CC[C@H](NCCO)C(=O)O 269956a_100020619752_100000211926 [0,2,0,0,0,0|1,0,1]=4 684 B11R0.78 C#CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000688953 [0,2,0,0,0,0|0,0,2]=4 685 B11R0.78 C/C=C/CN[C@@H](CCC)C(=O)N 34a_100000729256_100102629194 [0,2,0,0,0,0|1,0,0]=3 686 B11R0.78 C/C=C/CN[C@@H](CCC)C(=O)O 269956a_100000750406_100102629194 [0,2,0,0,0,0|0,0,0]=2 687 B11R0.78 C/C=C/CN[C@@H](CSC)C(=O)O 269956a_100011421858_100102629194 [0,2,0,0,0,0|1,0,0]=3 688 B11R0.78 C/C=C/CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100102629194 [0,2,0,0,0,0|1,0,0]=3 689 B11R0.78 C/C=C/CN[C@H](COC)C(=O)O 269956a_100011998655_100102629194 [0,2,0,0,0,0|1,0,0]=3 690 B11R0.78 C/C=C/COC(CCC)C(=O)N 34a_100011626294_100102629194 [0,2,0,0,0,0|1,0,0]=3 691 B11R0.78 C/C=C/COC(CCC)C(=O)N 7a_100011626294_100102629194 [0,2,0,0,0,0|1,0,0]=3 692 B11R0.78 C=CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000754431 [0,2,0,0,0,0|1,0,0]=3 693 B11R0.78 C=CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000754431 [0,2,0,0,0,0|1,0,0]=3 694 B11R0.78 C=CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000754431 [0,2,0,0,0,0|0,0,0]=2 695 B11R0.78 C=CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000754431 [0,2,0,0,0,0|1,0,0]=3 696 B11R0.78 C=CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000754431 [0,2,0,0,0,0|1,0,0]=3 697 B11R0.78 C=CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000754431 [0,2,0,0,0,0|1,0,0]=3 698 B11R0.78 C=CCCOC(CCC)C(=O)N 34a_100011626294_100000754431 [0,2,0,0,0,0|1,0,0]=3 699 B11R0.78 C=CCCOC(CCC)C(=O)N 7a_100011626294_100000754431 [0,2,0,0,0,0|1,0,0]=3 700 B11R0.78 CC#CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000748600 [0,2,0,0,0,0|0,0,2]=4 701 B11R0.78 CC=CCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000070051 [0,2,0,0,0,0|1,0,0]=3 702 B11R0.78 CC=CCN[C@@H](CCC)C(=O)N 34a_100000729256_100000070051 [0,2,0,0,0,0|1,0,0]=3 703 B11R0.78 CC=CCOC(CCC)C(=O)N 34a_100011626294_100000070051 [0,2,0,0,0,0|1,0,0]=3 704 B11R0.78 CC=CCOC(CCC)C(=O)N 7a_100011626294_100000070051 [0,2,0,0,0,0|1,0,0]=3 705 B11R0.78 CCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210211 [0,2,0,0,0,0|0,0,2]=4 706 B11R0.78 CCCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210211 [0,2,0,0,0,0|1,0,1]=4 707 B11R0.78 CCCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210211 [0,2,0,0,0,0|1,0,1]=4 708 B11R0.78 CCCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210211 [0,2,0,0,0,0|1,0,1]=4 709 B11R0.78 CCC[C@H](NCCC#N)C(=O)O 269956a_100000750406_100011215226 [0,2,0,0,0,0|0,0,2]=4 710 B11R0.78 CCC[C@H](NCCCF)C(=O)O 269956a_100000750406_100011934791 [0,2,0,0,0,0|0,0,2]=4 711 B11R0.78 CCC[C@H](NCCCO)C(=O)O 269956a_100000750406_100011215043 [0,2,0,0,0,0|0,0,2]=4 712 B11R0.78 CCC[C@H](NCCOC)C(=O)O 269956a_100000750406_100000233755 [0,2,0,0,0,0|0,0,2]=4 713 B11R0.78 CCC[C@H](NCCSC)C(=O)O 269956a_100000750406_100000212216 [0,2,0,0,0,0|0,0,2]=4 714 B11R0.78 CCC[C@H](NCOCC)C(=O)O 269956a_100000750406_100000739092 [0,2,0,0,0,0|0,0,2]=4 715 B11R0.78 CCC[C@H](NCSC#N)C(=O)O 269956a_100000750406_100000211825 [0,2,0,0,0,0|1,0,1]=4 716 B11R0.78 CCOCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000739092 [0,2,0,0,0,0|1,0,1]=4 717 B11R0.78 CCOCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000739092 [0,2,0,0,0,0|1,0,1]=4 718 B11R0.78 CCOCN[C@H](COC)C(=O)O 269956a_100011998655_100000739092 [0,2,0,0,0,0|1,0,1]=4 719 B11R0.78 COCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000233755 [0,2,0,0,0,0|1,0,1]=4 720 B11R0.78 COCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000233755 [0,2,0,0,0,0|1,0,1]=4 721 B11R0.78 COCCN[C@H](COC)C(=O)O 269956a_100011998655_100000233755 [0,2,0,0,0,0|1,0,1]=4 722 B11R0.78 COC[C@@H](NCCCF)C(=O)O 269956a_100011998655_100011934791 [0,2,0,0,0,0|1,0,1]=4 723 B11R0.78 COC[C@@H](NCCCO)C(=O)O 269956a_100011998655_100011215043 [0,2,0,0,0,0|1,0,1]=4 724 B11R0.78 COC[C@@H](NCCSC)C(=O)O 269956a_100011998655_100000212216 [0,2,0,0,0,0|1,0,1]=4 725 B11R0.78 CSCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000212216 [0,2,0,0,0,0|1,0,1]=4 726 B11R0.78 CSCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000212216 [0,2,0,0,0,0|1,0,1]=4 727 B11R0.78 CSC[C@H](NCCCF)C(=O)O 269956a_100011421858_100011934791 [0,2,0,0,0,0|1,0,1]=4 728 B11R0.78 CSC[C@H](NCCCO)C(=O)O 269956a_100011421858_100011215043 [0,2,0,0,0,0|1,0,1]=4 729 B11R0.78 C[Se]C[C@H](NCCCF)C(=O)O 269956a_100015254316_100011934791 [0,2,0,0,0,0|1,0,1]=4 730 B11R0.78 C[Se]C[C@H](NCCCO)C(=O)O 269956a_100015254316_100011215043 [0,2,0,0,0,0|1,0,1]=4 731 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)N 2230a_100000729256_100000748629 [0,2,0,0,0,0|1,0,0]=3 732 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)N 34a_100000729256_100000748629 [0,2,0,0,0,0|1,0,0]=3 733 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000748629 [0,2,0,0,0,0|0,0,0]=2 734 B11R0.146 C=C(C)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000748629 [0,2,0,0,0,0|1,0,0]=3 735 B11R0.146 C=C(C)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000748629 [0,2,0,0,0,0|1,0,0]=3 736 B11R0.146 C=C(C)CN[C@H](COC)C(=O)O 269956a_100011998655_100000748629 [0,2,0,0,0,0|1,0,0]=3 737 B11R0.146 C=C(C)COC(CCC)C(=O)N 34a_100011626294_100000748629 [0,2,0,0,0,0|1,0,0]=3 738 B11R0.146 C=C(C)COC(CCC)C(=O)N 7a_100011626294_100000748629 [0,2,0,0,0,0|1,0,0]=3 739 B11R0.146 C=C(F)CN[C@@H](CCC)C(=O)N 2230a_100000729256_100009893438 [0,2,0,0,0,0|1,0,0]=3 740 B11R0.146 C=C(F)CN[C@@H](CCC)C(=O)N 34a_100000729256_100009893438 [0,2,0,0,0,0|1,0,0]=3 741 B11R0.146 C=C(F)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000042424 [0,2,0,0,0,0|0,0,0]=2 742 B11R0.146 C=C(F)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000042424 [0,2,0,0,0,0|1,0,0]=3 743 B11R0.146 C=C(F)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000042424 [0,2,0,0,0,0|1,0,0]=3 744 B11R0.146 C=C(F)CN[C@H](COC)C(=O)O 269956a_100011998655_100000042424 [0,2,0,0,0,0|1,0,0]=3 745 B11R0.146 C=C(F)COC(CCC)C(=O)N 34a_100011626294_100009893438 [0,2,0,0,0,0|1,0,0]=3 746 B11R0.146 C=C(F)COC(CCC)C(=O)N 7a_100011626294_100000042424 [0,2,0,0,0,0|1,0,0]=3 747 B11R0.146 CC(=CCC(NCF)C(=O)O)C 269956a_100102631519_100015361967 [0,2,0,0,0,0|2,0,0]=4 748 B11R0.146 CCCC(OCC(=O)N)C(=O)N 34a_100011626294_100000187820 [0,2,0,0,0,0|2,0,0]=4 749 B11R0.146 CCCC(OCC(=O)N)C(=O)N 7a_100011626294_100000187820 [0,2,0,0,0,0|2,0,0]=4 750 B11R0.146 CCCC(OCC(=O)[O-])C(=O)N 34a_100011626294_100020667443 [0,2,0,0,0,0|2,0,0]=4 751 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)N 2230a_100000729256_100000747473 [0,2,0,0,0,0|2,0,0]=4 752 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)N 34a_100000729256_100000187820 [0,2,0,0,0,0|2,0,0]=4 753 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)O 269956a_100000750406_100000187820 [0,2,0,0,0,0|1,0,0]=3 754 B11R0.146 CCC[C@H](NCC(=O)[O-])C(=O)N 34a_100000729256_100020667443 [0,2,0,0,0,0|2,0,0]=4 755 B11R0.146 CCC[C@H](NCC(=O)[O-])C(=O)O 269956a_100000750406_100020667443 [0,2,0,0,0,0|1,0,0]=3 756 B11R0.146 CCC[C@H](NCC(C)C)C(=O)O 269956a_100000750406_100000210760 [0,2,0,0,0,0|0,0,2]=4 757 B11R0.146 CCC[C@H](NCC(C)O)C(=O)O 269956a_100000750406_100011218427 [0,2,0,0,0,0|0,0,2]=4 758 B11R0.146 CCC[C@H](NCC(F)F)C(=O)O 269956a_100000750406_100011934356 [0,2,0,0,0,0|1,0,1]=4 759 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000750406_100009817552 [0,2,0,0,0,0|0,0,2]=4 760 B11R0.146 CCC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000750406_100000761209 [0,2,0,0,0,0|2,0,0]=4 761 B11R0.146 CCNC(CC=C(C)C)C(=O)O 269956a_100102631519_100000210202 [0,2,0,0,0,0|1,0,0]=3 762 B11R0.146 COC[C@@H](NCC(=O)N)C(=O)O 269956a_100011998655_100000187820 [0,2,0,0,0,0|2,0,0]=4 763 B11R0.146 COC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100011998655_100020667443 [0,2,0,0,0,0|2,0,0]=4 764 B11R0.146 COC[C@@H](NCC(C)C)C(=O)O 269956a_100011998655_100000210760 [0,2,0,0,0,0|1,0,1]=4 765 B11R0.146 COC[C@@H](NCC(C)O)C(=O)O 269956a_100011998655_100011218427 [0,2,0,0,0,0|1,0,1]=4 766 B11R0.146 COC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100011998655_100009817552 [0,2,0,0,0,0|1,0,1]=4 767 B11R0.146 CSC[C@H](NCC(=O)N)C(=O)O 269956a_100011421858_100000187820 [0,2,0,0,0,0|2,0,0]=4 768 B11R0.146 CSC[C@H](NCC(=O)[O-])C(=O)O 269956a_100011421858_100020667443 [0,2,0,0,0,0|2,0,0]=4 769 B11R0.146 CSC[C@H](NCC(C)C)C(=O)O 269956a_100011421858_100000210760 [0,2,0,0,0,0|1,0,1]=4 770 B11R0.146 CSC[C@H](NCC(C)O)C(=O)O 269956a_100011421858_100011218427 [0,2,0,0,0,0|1,0,1]=4 771 B11R0.146 CSC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100011421858_100009817552 [0,2,0,0,0,0|1,0,1]=4 772 B11R0.146 C[Se]C[C@H](NCC(=O)N)C(=O)O 269956a_100015254316_100000187820 [0,2,0,0,0,0|2,0,0]=4 773 B11R0.146 C[Se]C[C@H](NCC(=O)[O-])C(=O)O 269956a_100015254316_100020667443 [0,2,0,0,0,0|2,0,0]=4 774 B11R0.146 C[Se]C[C@H](NCC(C)C)C(=O)O 269956a_100015254316_100000210760 [0,2,0,0,0,0|1,0,1]=4 775 B11R0.146 C[Se]C[C@H](NCC(C)O)C(=O)O 269956a_100015254316_100011218427 [0,2,0,0,0,0|1,0,1]=4 776 B11R0.146 C[Se]C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100015254316_100009817552 [0,2,0,0,0,0|1,0,1]=4 777 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,0,0,1,0,0|1,0,0]=3 778 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|1,0,1]=4 779 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|1,0,1]=4 780 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,1,0,0|2,0,0]=4 781 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,1,0,0|2,0,0]=4 782 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [1,0,0,1,0,0|2,0,0]=4 783 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [1,0,0,1,0,0|2,0,0]=4 784 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [1,0,0,1,0,0|2,0,0]=4 785 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [1,0,0,1,0,0|2,0,0]=4 786 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [1,0,0,1,0,0|1,0,0]=3 787 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|1,0,1]=4 788 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,1,0,0|2,0,0]=4 789 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [1,0,0,1,0,0|1,0,0]=3 790 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [1,0,0,1,0,0|1,0,1]=4 791 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [1,0,0,1,0,0|1,0,1]=4 792 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [1,0,0,1,0,0|1,0,1]=4 793 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [1,0,0,1,0,0|1,0,1]=4 794 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [1,0,0,1,0,0|1,0,1]=4 795 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [1,0,0,1,0,0|1,0,1]=4 796 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [1,0,0,1,0,0|1,0,1]=4 797 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [1,0,0,1,0,0|1,0,1]=4 798 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|1,0,1]=4 799 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|1,0,1]=4 800 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|1,0,1]=4 801 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|1,0,1]=4 802 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,0,0,1,0,0|2,0,0]=4 803 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|1,0,1]=4 804 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|1,0,1]=4 805 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,0,0,1,0,0|1,0,1]=4 806 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,0,0,1,0,0|1,0,1]=4 807 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [1,0,0,1,0,0|1,0,1]=4 808 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [1,0,0,1,0,0|1,0,1]=4 809 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [1,0,0,1,0,0|1,0,1]=4 810 B9R1.119 CNC1(CCC1)C(=O)O 269956a_100000688724_200000210301 [1,0,0,1,0,0|1,0,1]=4 811 B9R1.119 [13CH3]NC1(CCC1)C(=O)O 269956a_100000688724_200025704644 [1,0,0,1,0,0|1,0,1]=4 812 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [1,0,0,1,0,0|1,0,1]=4 813 B9R1.179 CNCC1(CC1)C(=O)O 269956a_100000703410_200000210301 [1,0,0,1,0,0|1,0,1]=4 814 B9R1.179 [13CH3]NCC1(CC1)C(=O)O 269956a_100000703410_200025704644 [1,0,0,1,0,0|1,0,1]=4 815 B9R1.8 C=CCN1CCCOC1 2230a_100000131196_100000210623 [1,0,0,1,0,0|1,0,1]=4 816 B9R1.8 C=CCN1CCCOC1 269982a_100000131196_100000210623 [1,0,0,1,0,0|1,0,1]=4 817 B9R1.8 C=CCN1CCCOC1 34a_100000131196_100015514636 [1,0,0,1,0,0|1,0,1]=4 818 B11R1.57 CCC1C=CCN1CC(=O)N 2230a_100000730860_100000747473 [0,0,0,1,0,1|2,0,0]=4 819 B11R1.57 CCC1C=CCN1CC(=O)N 269982a_100000730860_100000187820 [0,0,0,1,0,1|2,0,0]=4 820 B11R1.57 CCC1C=CCN1CC(=O)N 34a_100000730860_100000187820 [0,0,0,1,0,1|2,0,0]=4 821 B11R1.57 CCC1C=CCN1CC(=O)[O-] 269982a_100000730860_100020667443 [0,0,0,1,0,1|1,0,1]=4 822 B11R1.57 CCC1C=CCN1CC(=O)[O-] 34a_100000730860_100020667443 [0,0,0,1,0,1|1,0,1]=4 823 B11R1.110 C=CCN1CCCNC(=O)C1 2230a_100015190381_100000210623 [0,0,0,1,0,1|2,0,0]=4 824 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,0,0,1,0,1|1,0,1]=4 825 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,0,0,1,0,1|1,0,1]=4 826 B11R1.193 C=CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210623 [0,0,0,1,0,1|2,0,0]=4 827 B11R1.193 C=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210623 [0,0,0,1,0,1|1,0,0]=3 828 B11R1.193 C=CCN1CCSC1C(=O)O 269956a_100000035718_100000210623 [0,0,0,1,0,1|2,0,0]=4 829 B11R1.193 C=CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210623 [0,0,0,1,0,1|2,0,0]=4 830 B11R1.193 CCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210207 [0,0,0,1,0,1|1,0,0]=3 831 B11R1.193 COCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000766300 [0,0,0,1,0,1|2,0,0]=4 832 B11R1.193 CSCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100011218213 [0,0,0,1,0,1|2,0,0]=4 833 B11R1.193 O=C(O)[C@@H]1C=CCN1CCF 269956a_100000057196_100011217306 [0,0,0,1,0,1|2,0,0]=4 834 B11R1.193 O=C(O)[C@@H]1C=CCN1CCO 269956a_100000057196_100000211926 [0,0,0,1,0,1|2,0,0]=4 835 B11R1.193 O=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_200015260668 [0,0,0,1,0,1|2,0,0]=4 836 B11R1.804 C=CCN(CC(=O)O)C1CC1 269956a_100000744315_100000211595 [0,0,0,1,0,1|1,0,0]=3 837 B11R1.806 CCC[C@H](NC1CC1)C(=O)O 269956a_100000750406_100000211595 [0,1,0,1,0,0|0,0,2]=4 838 B11R1.806 COC[C@@H](NC1CC1)C(=O)O 269956a_100011998655_100000211595 [0,1,0,1,0,0|1,0,1]=4 839 B11R1.806 CSC[C@H](NC1CC1)C(=O)O 269956a_100011421858_100000211595 [0,1,0,1,0,0|1,0,1]=4 840 B11R1.806 C[Se]C[C@H](NC1CC1)C(=O)O 269956a_100015254316_100000211595 [0,1,0,1,0,0|1,0,1]=4 841 B11R1.53 CN[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_200000210301 [0,1,0,1,0,0|2,0,0]=4 842 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,1,0,1,0,0|1,0,1]=4 843 B11R1.53 [13CH3]N[C@@H]1CC=CC[C@H]1C(=O)N 34a_100032748912_200025704644 [0,1,0,1,0,0|2,0,0]=4 844 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,1,0,1,0,0|1,0,1]=4 845 B11R1.222 C=CC(=O)C1CCCCC1=O 1458a_100000185746_100000204591 [0,1,0,1,0,0|1,0,1]=4 846 B11R1.222 C=CC(=O)C1CCCNC1=O 1458a_100000185746_100000687798 [0,1,0,1,0,0|1,0,1]=4 847 B11R1.225 C=CC(=O)C1CC(OC1=O)C 1458a_100000185746_200000216747 [0,1,0,1,0,0|0,0,1]=3 848 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 2230a_100016988859_200000210301 [0,1,0,1,0,0|1,0,1]=4 849 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 269982a_100016988859_200000210301 [0,1,0,1,0,0|1,0,1]=4 850 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 2230a_100016988859_200025704644 [0,1,0,1,0,0|1,0,1]=4 851 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 269982a_100016988859_200025704644 [0,1,0,1,0,0|1,0,1]=4 852 B11R1.59 C=CC(=O)N1CC=CC1CC 1626a_100000730860_100000185746 [0,1,0,1,0,0|2,0,0]=4 853 B11R1.59 C=CC(=O)N1CC=CC1CC 240690a_100000730860_200121576911 [0,1,0,1,0,0|2,0,0]=4 854 B11R1.59 CCC(=O)N1CC=CC1CC 11a_100000730860_100000210414 [0,1,0,1,0,0|2,0,0]=4 855 B11R1.59 CCC(=O)N1CC=CC1CC 1626a_100000730860_100000210414 [0,1,0,1,0,0|2,0,0]=4 856 B11R1.59 CCC(=O)N1CC=CC1CC 240690a_100000730860_100000210414 [0,1,0,1,0,0|2,0,0]=4 857 B11R1.59 CCC(=O)N1CC=CC1CC 527a_100000730860_100000210414 [0,1,0,1,0,0|2,0,0]=4 858 B11R1.59 CCC1C=CCN1C(=O)CO 240690a_100000730860_100000210174 [0,1,0,1,0,0|1,0,0]=3 859 B11R1.59 CCC1C=CCN1C(=O)CO 527a_100000730860_100000210174 [0,1,0,1,0,0|1,0,0]=3 860 B11R1.59 CCC1C=CCN1C(=O)NC 2708a_100102657272_100000730860 [0,1,0,1,0,0|2,0,0]=4 861 B11R1.59 CCC1C=CCN1C(=O)NC 273464a_100102657272_100000730860 [0,1,0,1,0,0|2,0,0]=4 862 B11R1.59 COC(=O)C1CCCC1OC 34a_200000081814_200000210301 [0,1,0,1,0,0|1,0,1]=4 863 B11R1.59 COC(=O)C1CCCC1OC 7a_200000081814_200000210301 [0,1,0,1,0,0|1,0,1]=4 864 B11R1.59 COC(=O)C1CCCC1O[13CH3] 34a_200000081814_200025704644 [0,1,0,1,0,0|1,0,1]=4 865 B11R1.59 COC(=O)C1CCCC1O[13CH3] 7a_200000081814_200025704644 [0,1,0,1,0,0|1,0,1]=4 866 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|0,0,2]=4 867 B11R1.17 C=CCNC1CCCNC1=O 2230a_100000747585_100000210623 [0,1,0,1,0,0|1,0,0]=3 868 B11R1.17 C=CCNC1CCCNC1=O 2230a_100020586998_100000687798 [0,1,0,1,0,0|1,0,0]=3 869 B11R1.17 C=CCNC1CCCNC1=O 34a_100000747585_100015514636 [0,1,0,1,0,0|1,0,0]=3 870 B11R1.17 C=CCOC1CCCCC1=O 34a_100011214950_100015514636 [0,1,0,1,0,0|1,0,0]=3 871 B11R1.17 C=CCOC1CCCCC1=O 34a_200000210373_100000754470 [0,1,0,1,0,0|1,0,0]=3 872 B11R1.17 C=CCOC1CCCCC1O 34a_200000210373_100000038908 [0,1,0,1,0,0|1,0,1]=4 873 B11R1.17 C=CCOC1CCCNC1=O 34a_100000073722_100015514636 [0,1,0,1,0,0|1,0,0]=3 874 B11R1.17 C=CCOC1CCCNC1=O 34a_200000210373_100000687798 [0,1,0,1,0,0|1,0,0]=3 875 B11R1.17 C=CCOC1COCCC1=O 34a_200000210373_100012180262 [0,1,0,1,0,0|2,0,0]=4 876 B11R1.17 C=CCSC1CCCCC1=O 62a_100000204591_100000210623 [0,1,0,1,0,0|1,0,0]=3 877 B11R1.17 C=CCSC1CCCCC1=O 62a_100000210623_100000204591 [0,1,0,1,0,0|1,0,0]=3 878 B11R1.17 C=CCSC1CCCCC1O 62a_100000038908_100000210623 [0,1,0,1,0,0|1,0,1]=4 879 B11R1.17 C=CCSC1CCCCC1O 62a_100000210623_100000038908 [0,1,0,1,0,0|1,0,1]=4 880 B11R1.17 C=CCSC1CCCNC1=O 62a_100000210623_100000687798 [0,1,0,1,0,0|1,0,0]=3 881 B11R1.17 C=CCSC1CCCNC1=O 62a_100000687798_100000210623 [0,1,0,1,0,0|1,0,0]=3 882 B11R1.17 C=CCSC1COCCC1=O 62a_100000210623_100012180262 [0,1,0,1,0,0|2,0,0]=4 883 B11R1.17 C=CCSC1COCCC1=O 62a_100012180262_100000210623 [0,1,0,1,0,0|2,0,0]=4 884 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [0,1,0,1,0,0|0,0,2]=4 885 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [0,1,0,1,0,0|0,0,2]=4 886 B11R1.17 O=CCNC1CCCNC1=O 2230a_100000747585_200015260668 [0,1,0,1,0,0|2,0,0]=4 887 B11R1.17 O=CCNC1CCCNC1=O 34a_100000747585_200009817547 [0,1,0,1,0,0|2,0,0]=4 888 B11R1.17 O=CCOC1CCCCC1=O 34a_100011214950_200009817547 [0,1,0,1,0,0|2,0,0]=4 889 B11R1.17 O=CCOC1CCCNC1=O 34a_100000073722_200009817547 [0,1,0,1,0,0|2,0,0]=4 890 B11R1.17 O=CCSC1CCCCC1=O 62a_100000204591_200015260668 [0,1,0,1,0,0|2,0,0]=4 891 B11R1.17 O=CCSC1CCCCC1=O 62a_200015260668_100000204591 [0,1,0,1,0,0|2,0,0]=4 892 B11R1.17 O=CCSC1CCCNC1=O 62a_100000687798_200015260668 [0,1,0,1,0,0|2,0,0]=4 893 B11R1.17 O=CCSC1CCCNC1=O 62a_200015260668_100000687798 [0,1,0,1,0,0|2,0,0]=4 894 B11R1.21 CC(=O)C1CCN(C(=O)C1)C 1458a_100000043916_200000210301 [0,1,0,1,0,0|2,0,0]=4 895 B11R1.21 CN1CCC(CC1=O)C(=O)[13CH3] 1458a_100000043916_200025704644 [0,1,0,1,0,0|2,0,0]=4 896 B11R1.48 CCN1CC(CC1=O)C(=O)C 1458a_100000215766_200000210301 [0,1,0,1,0,0|2,0,0]=4 897 B11R1.48 CCN1CC(CC1=O)C(=O)[13CH3] 1458a_100000215766_200025704644 [0,1,0,1,0,0|2,0,0]=4 898 B11R1.230 C#CCNC1CC(OC1=O)C 34a_100000212058_200000216747 [0,1,0,1,0,0|0,0,2]=4 899 B11R1.230 C#CCOC1CC(OC1=O)C 34a_100000210247_200000216747 [0,1,0,1,0,0|0,0,2]=4 900 B11R1.230 C#CCSC1CC(OC1=O)C 62a_100000038162_200000216747 [0,1,0,1,0,0|0,0,2]=4 901 B11R1.230 C=CCNC1CC(OC1=O)C 2230a_100020586998_200000216747 [0,1,0,1,0,0|0,0,0]=2 902 B11R1.230 C=CCOC1CC(OC1=O)C 34a_200000210373_200000216747 [0,1,0,1,0,0|0,0,0]=2 903 B11R1.230 C=CCSC1CC(OC1=O)C 62a_100000210623_200000216747 [0,1,0,1,0,0|0,0,0]=2 904 B11R1.230 C=CCSC1CC(OC1=O)C 62a_200000216747_100000210623 [0,1,0,1,0,0|0,0,0]=2 905 B11R1.230 CC1CC(C(=O)O1)NCCF 34a_100000724931_200000216747 [0,1,0,1,0,0|1,0,1]=4 906 B11R1.230 CC1CC(C(=O)O1)NCCO 2230a_100016997473_200000216747 [0,1,0,1,0,0|1,0,1]=4 907 B11R1.230 CC1CC(C(=O)O1)NCCO 34a_100016990907_200000216747 [0,1,0,1,0,0|1,0,1]=4 908 B11R1.230 CC1CC(C(=O)O1)OCCBr 34a_100000211926_200000216747 [0,1,0,1,0,0|1,0,1]=4 909 B11R1.230 CC1CC(C(=O)O1)OCCN 34a_100000210304_200000216747 [0,1,0,1,0,0|1,0,1]=4 910 B11R1.230 CC1CC(C(=O)O1)SCC#N 62a_100011215382_200000216747 [0,1,0,1,0,0|1,0,1]=4 911 B11R1.230 CC1CC(C(=O)O1)SCC#N 62a_200000216747_100011215382 [0,1,0,1,0,0|1,0,1]=4 912 B11R1.230 CC1CC(C(=O)O1)SCC=O 62a_200000216747_200015260668 [0,1,0,1,0,0|1,0,0]=3 913 B11R1.230 CC1CC(C(=O)O1)SCC=O 62a_200015260668_200000216747 [0,1,0,1,0,0|1,0,0]=3 914 B11R1.230 CC1CC(C(=O)O1)SCCF 62a_100011217306_200000216747 [0,1,0,1,0,0|1,0,1]=4 915 B11R1.230 CC1CC(C(=O)O1)SCCF 62a_200000216747_100011217306 [0,1,0,1,0,0|1,0,1]=4 916 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_100000211926_200000216747 [0,1,0,1,0,0|1,0,1]=4 917 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_200000216747_100000211926 [0,1,0,1,0,0|1,0,1]=4 918 B11R1.230 CCCNC1CC(=O)NC1=O 2230a_100102712934_100000210303 [0,1,0,1,0,0|2,0,0]=4 919 B11R1.230 CCCOC1CC(OC1=O)C 34a_100000210258_200000216747 [0,1,0,1,0,0|0,0,2]=4 920 B11R1.230 CCCSC1CC(OC1=O)C 62a_100000210303_200000216747 [0,1,0,1,0,0|0,0,2]=4 921 B11R1.230 CCCSC1CC(OC1=O)C 62a_200000216747_100000210303 [0,1,0,1,0,0|0,0,2]=4 922 B11R1.230 COCSC1CC(OC1=O)C 62a_100000766300_200000216747 [0,1,0,1,0,0|1,0,1]=4 923 B11R1.230 COCSC1CC(OC1=O)C 62a_200000216747_100000766300 [0,1,0,1,0,0|1,0,1]=4 924 B11R1.230 CSCSC1CC(OC1=O)C 62a_100011218213_200000216747 [0,1,0,1,0,0|1,0,1]=4 925 B11R1.230 CSCSC1CC(OC1=O)C 62a_200000216747_100011218213 [0,1,0,1,0,0|1,0,1]=4 926 B11R1.233 C=CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210623 [0,1,0,1,0,0|1,0,1]=4 927 B11R1.233 C=CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100015514636 [0,1,0,1,0,0|1,0,1]=4 928 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,1,0,1,0,0|0,0,2]=4 929 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,1,0,1,0,0|0,0,2]=4 930 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,1,0,1,0,0|0,0,2]=4 931 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,1,0,1,0,0|0,0,2]=4 932 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,1,0,1,0,0|1,0,0]=3 933 B11R1.905 C#CCNC1(CCC1)C(=O)O 269956a_100000688724_100000184674 [0,1,0,1,0,0|0,0,2]=4 934 B11R1.905 C=CCNC1(CCC1)C(=O)O 269956a_100000688724_100000210623 [0,1,0,1,0,0|0,0,0]=2 935 B11R1.905 CCCNC1(CCC1)C(=O)O 269956a_100000688724_100000210207 [0,1,0,1,0,0|0,0,2]=4 936 B11R1.905 CCNCC1(CCC1)C(=O)O 269956a_100000729485_100000210202 [0,1,0,1,0,0|0,0,2]=4 937 B11R1.905 COCNC1(CCC1)C(=O)O 269956a_100000688724_100000766300 [0,1,0,1,0,0|1,0,1]=4 938 B11R1.905 CSCNC1(CCC1)C(=O)O 269956a_100000688724_100011218213 [0,1,0,1,0,0|1,0,1]=4 939 B11R1.905 N#CCNC1(CCC1)C(=O)O 269956a_100000688724_100011215382 [0,1,0,1,0,0|1,0,1]=4 940 B11R1.905 O=C(O)C1(CCC1)CNCF 269956a_100000729485_100015361967 [0,1,0,1,0,0|1,0,1]=4 941 B11R1.905 O=C(O)C1(CCC1)NCCF 269956a_100000688724_100011217306 [0,1,0,1,0,0|1,0,1]=4 942 B11R1.905 O=C(O)C1(CCC1)NCCO 269956a_100000688724_100000211926 [0,1,0,1,0,0|1,0,1]=4 943 B11R1.905 O=CCNC1(CCC1)C(=O)O 269956a_100000688724_200015260668 [0,1,0,1,0,0|1,0,0]=3 944 B11R1.1239 CNCC1(CCCC1)C(=O)O 269956a_100000695985_200000210301 [0,1,0,1,0,0|1,0,1]=4 945 B11R1.1239 [13CH3]NCC1(CCCC1)C(=O)O 269956a_100000695985_200025704644 [0,1,0,1,0,0|1,0,1]=4 946 B11R2.845 CC(=O)C1CC2C=CC1C2 1458a_100000211946_200000210301 [0,0,0,2,0,0|1,0,0]=3 947 B11R2.845 CC(=O)N1CC2C=CC1C2 11a_100000732668_100015343762 [0,0,0,2,0,0|2,0,0]=4 948 B11R2.845 CC(=O)N1CC2C=CC1C2 240690a_100000732668_100015343762 [0,0,0,2,0,0|2,0,0]=4 949 B11R2.845 CC(=O)N1CC2C=CC1C2 527a_100000732668_100103153847 [0,0,0,2,0,0|2,0,0]=4 950 B11R2.845 [13CH3]C(=O)C1CC2C=CC1C2 1458a_100000211946_200025704644 [0,0,0,2,0,0|1,0,0]=3 951 B11R0.280 C=CCC(CCC)OCC(=C)C 34a_100011215139_100000748629 [0,0,0,0,0,2|2,0,0]=4 952 B11R0.280 C=CCC(CCC)OCC(=C)C 7a_100011215139_100000748629 [0,0,0,0,0,2|2,0,0]=4 953 B11R0.280 C=CCC(CCC)OCC(=C)F 34a_100011215139_100009893438 [0,0,0,0,0,2|2,0,0]=4 954 B11R0.280 C=CCC(CCC)OCC(=C)F 7a_100011215139_100000042424 [0,0,0,0,0,2|2,0,0]=4 955 B11R0.280 C=CCC(CCC)OCC(=O)N 34a_100011215139_100000187820 [0,0,0,0,0,2|1,0,0]=3 956 B11R0.280 C=CCC(CCC)OCC(=O)N 7a_100011215139_100000187820 [0,0,0,0,0,2|1,0,0]=3 957 B11R0.280 C=CCC(CCC)OCC(=O)[O-] 34a_100011215139_100020667443 [0,0,0,0,0,2|0,0,1]=3 958 B11R0.280 C=CCC(CCC)OCC(C)O 34a_100011215139_100011218427 [0,0,0,0,0,2|1,0,1]=4 959 B11R0.280 C=CCC(CCC)OCC(C)O 7a_100011215139_100011218427 [0,0,0,0,0,2|1,0,1]=4 960 B11R0.280 C=CCC(CCC)OC[C@@H](C)O 34a_100011215139_100009817552 [0,0,0,0,0,2|1,0,1]=4 961 B11R0.280 C=CCC(CCC)OC[C@@H](C)O 7a_100011215139_100009817552 [0,0,0,0,0,2|1,0,1]=4 962 B11R0.280 C=CCC(CCC)OC[N+](=O)[O-] 34a_100011215139_100000761209 [0,0,0,0,0,2|1,0,1]=4 963 B11R0.280 CCCC(CCC)NCC(=O)O 269956a_100016091260_200011218217 [0,0,0,0,0,2|0,0,2]=4