0 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.9 C=C(F)CNC(C)CC 2230a_100000209981_100009893438 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.9 C=C(F)COC(C)CC 34a_200010262243_100011215416 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.9 C=C(F)COC(C)CC 7a_100000210228_100000042424 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.9 C=C(F)CSC(C)CC 62a_100000042424_100000758301 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.9 C=C(F)CSC(C)CC 62a_100000758301_100000042424 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,0,0,0,0,0|4,0,0]=4 21 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,0,0,0,0,0|4,0,0]=4 22 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,0,0,0,0,0|4,0,0]=4 24 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,0,0,0,0,0|4,0,0]=4 26 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,0,0,0,0,0|4,0,0]=4 27 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,0,0,0,0,0|4,0,0]=4 29 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,0,0,0,0,0|4,0,0]=4 31 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,0,0,0,0,0|4,0,0]=4 32 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,0,0,0,0,0|2,0,1]=3 34 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,0,0,0,0,0|2,0,0]=2 46 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,0,0,0,0,0|2,0,0]=2 47 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,0,0,0,0,0|3,0,0]=3 48 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,0,0,0,0,0|3,0,0]=3 49 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,0,0,0,0,0|3,0,0]=3 50 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,0,0,0,0,0|3,0,0]=3 51 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,0,0,0,0,0|3,0,0]=3 52 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,0,0,0,0,0|3,0,0]=3 53 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,0,0,0,0,0|2,0,0]=2 54 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,0,0,0,0,0|3,0,1]=4 57 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,0,0,0,0,0|4,0,0]=4 59 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,0,0,0,0,0|3,0,0]=3 60 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,0,0,0,0,0|3,0,0]=3 61 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,0,0,0,0,0|3,0,1]=4 62 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,0,0,0,0,0|3,0,0]=3 64 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,0,0,0,0,0|3,0,0]=3 65 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,0,0,0,0,0|2,0,1]=3 66 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,0,0,0,0,0|2,0,1]=3 67 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.9 CCC(C)SC[N+](=O)[O-] 62a_100000758301_100000761209 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,0,0,0,0,0|3,0,0]=3 73 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,0,0,0,0,0|3,0,0]=3 74 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,0,0,0,0,0|3,0,0]=3 75 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,0,0,0,0,0|3,0,0]=3 76 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,0,0,0,0,0|3,0,0]=3 77 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,0,0,0,0,0|3,0,0]=3 78 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,0,0,0,0,0|3,0,0]=3 79 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,0,0,0,0,0|3,0,0]=3 80 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,0,0,0,0,0|3,0,0]=3 81 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,0,0,0,0,0|3,0,0]=3 82 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,0,0,0,0,0|3,0,1]=4 83 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,0,0,0,0,0|3,0,1]=4 84 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,0,0,0,0,0|4,0,0]=4 85 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,0,0,0,0,0|3,0,0]=3 86 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,0,0,0,0,0|3,0,0]=3 87 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,0,0,0,0,0|3,0,0]=3 88 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,0,0,0,0,0|3,0,1]=4 91 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,0,0,0,0,0|4,0,0]=4 93 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,0,0,0,0,0|3,0,1]=4 94 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,0,0,0,0,0|3,0,0]=3 96 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,0,0,0,0,0|4,0,0]=4 97 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,0,0,0,0,0|4,0,0]=4 98 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,0,0,0,0,0|3,0,1]=4 99 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,0,0,0,0,0|3,0,1]=4 100 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,0,0,0,0,0|4,0,0]=4 101 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,0,0,0,0,0|4,0,0]=4 102 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,0,0,0,0,0|4,0,0]=4 103 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,0,0,0,0,0|4,0,0]=4 104 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,0,0,0,0,0|4,0,0]=4 105 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,0,0,0,0,0|3,0,0]=3 106 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,0,0,0,0,0|4,0,0]=4 107 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,0,0,0,0,0|4,0,0]=4 108 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,0,0,0,0,0|3,0,1]=4 109 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,0,0,0,0,0|3,0,1]=4 110 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,0,0,0,0,0|3,0,1]=4 111 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [1,0,0,0,0,0|3,0,0]=4 114 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [1,0,0,0,0,0|3,0,0]=4 115 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [1,0,0,0,0,0|3,0,0]=4 116 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [1,0,0,0,0,0|3,0,0]=4 117 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [1,0,0,0,0,0|3,0,0]=4 118 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [1,0,0,0,0,0|3,0,0]=4 119 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [1,0,0,0,0,0|3,0,0]=4 120 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [1,0,0,0,0,0|3,0,0]=4 121 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [1,0,0,0,0,0|3,0,0]=4 122 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [1,0,0,0,0,0|3,0,0]=4 123 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [1,0,0,0,0,0|3,0,0]=4 124 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [1,0,0,0,0,0|3,0,0]=4 125 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [1,0,0,0,0,0|3,0,0]=4 126 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [1,0,0,0,0,0|3,0,0]=4 127 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [1,0,0,0,0,0|3,0,0]=4 128 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [1,0,0,0,0,0|3,0,0]=4 129 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [1,0,0,0,0,0|3,0,0]=4 130 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [1,0,0,0,0,0|3,0,0]=4 131 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [1,0,0,0,0,0|3,0,0]=4 132 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|1,0,2]=4 133 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,0,0,0,0,0|3,0,0]=4 134 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,0,0,0,0,0|3,0,0]=4 135 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,0,0,0,0,0|3,0,0]=4 136 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,0,0,0,0,0|3,0,0]=4 137 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,0,0,0,0,0|2,0,0]=3 138 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,0,0,0,0,0|2,0,1]=4 139 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,0,0,0,0,0|2,0,1]=4 140 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,0,0,0,0,0|2,0,1]=4 141 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [1,0,0,0,0,0|2,0,0]=3 142 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,0,0,0,0,0|2,0,1]=4 143 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,0,0,0,0,0|2,0,0]=3 144 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,0,0,0,0,0|2,0,0]=3 145 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,0,0,0,0,0|2,0,1]=4 146 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,0,0,0,0,0|2,0,1]=4 147 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [1,0,0,0,0,0|2,0,1]=4 149 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [1,0,0,0,0,0|2,0,1]=4 150 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [1,0,0,0,0,0|2,0,1]=4 151 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [1,0,0,0,0,0|3,0,0]=4 152 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [1,0,0,0,0,0|3,0,0]=4 153 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [1,0,0,0,0,0|3,0,0]=4 154 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [1,0,0,0,0,0|3,0,0]=4 155 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [1,0,0,0,0,0|3,0,0]=4 156 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|1,0,2]=4 157 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|1,0,2]=4 158 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|1,0,2]=4 159 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,0,0,0,0,0|1,0,2]=4 160 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,0,0,0,0,0|3,0,0]=4 161 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|3,0,0]=4 162 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|3,0,0]=4 163 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|3,0,0]=4 164 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|3,0,0]=4 165 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|3,0,0]=4 166 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|3,0,0]=4 167 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|3,0,0]=4 168 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|3,0,0]=4 169 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|3,0,0]=4 170 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,0,0,0,0,0|3,0,0]=4 171 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,0,0,0,0,0|3,0,0]=4 172 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,0,0,0,0,0|3,0,0]=4 173 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,0,0,0,0,0|3,0,0]=4 174 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|1,0,2]=4 175 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|1,0,2]=4 176 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|1,0,2]=4 177 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,0,0,0,0|1,0,2]=4 178 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|2,0,1]=4 179 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|2,0,1]=4 180 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,0]=3 181 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|2,0,0]=3 182 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|2,0,0]=3 183 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|2,0,0]=3 184 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|2,0,0]=3 185 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|2,0,0]=3 186 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|2,0,0]=3 187 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 188 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 189 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|3,0,0]=4 190 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|3,0,0]=4 191 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|3,0,0]=4 192 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|3,0,0]=4 193 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|3,0,0]=4 194 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 195 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 196 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 197 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|3,0,0]=4 198 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|3,0,0]=4 199 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|3,0,0]=4 200 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|3,0,0]=4 201 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|3,0,0]=4 202 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|3,0,0]=4 203 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|3,0,0]=4 204 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|3,0,0]=4 205 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|3,0,0]=4 206 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|2,0,1]=4 207 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|2,0,1]=4 208 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|1,0,2]=4 209 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|1,0,2]=4 210 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|1,0,2]=4 211 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|1,0,2]=4 212 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|1,0,2]=4 213 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|1,0,2]=4 214 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|1,0,2]=4 215 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|1,0,2]=4 216 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,0]=2 217 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,0]=2 218 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,0]=2 219 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|3,0,0]=4 220 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|3,0,0]=4 221 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|3,0,0]=4 222 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|3,0,0]=4 223 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|3,0,0]=4 224 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|3,0,0]=4 225 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 226 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 227 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 228 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|2,0,0]=3 229 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|2,0,0]=3 230 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|1,0,0]=2 231 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 232 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 233 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|3,0,0]=4 234 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|2,0,0]=3 235 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|2,0,0]=3 236 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|2,0,0]=3 237 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|2,0,0]=3 238 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|1,0,1]=3 239 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|2,0,1]=4 240 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|2,0,1]=4 241 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,0,0,0,0,0|2,0,1]=4 242 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|2,0,0]=3 243 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|2,0,0]=3 244 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|2,0,0]=3 245 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|2,0,0]=3 246 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|1,0,1]=3 247 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|1,0,1]=3 248 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|2,0,1]=4 249 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|2,0,1]=4 250 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|2,0,1]=4 251 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|2,0,1]=4 252 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,0,0,0,0,0|2,0,1]=4 253 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|2,0,0]=3 254 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|2,0,1]=4 255 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|2,0,1]=4 256 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|2,0,0]=3 257 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|2,0,0]=3 258 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|2,0,0]=3 259 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 260 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 261 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 262 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|2,0,0]=3 263 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 264 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|2,0,0]=3 265 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|2,0,1]=4 266 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|3,0,0]=4 267 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|2,0,0]=3 268 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|2,0,0]=3 269 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|2,0,0]=3 270 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|2,0,0]=3 271 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|2,0,0]=3 272 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|2,0,0]=3 273 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|2,0,0]=3 274 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|2,0,1]=4 275 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|2,0,1]=4 276 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|3,0,0]=4 277 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|3,0,0]=4 278 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|2,0,0]=3 279 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|2,0,0]=3 280 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,0]=3 281 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,0]=3 282 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,0]=3 283 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 284 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|2,0,1]=4 285 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 286 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|3,0,0]=4 287 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|3,0,0]=4 288 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 289 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 290 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 291 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 292 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 293 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|3,0,0]=4 294 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|3,0,0]=4 295 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|3,0,0]=4 296 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|3,0,0]=4 297 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|2,0,0]=3 298 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|2,0,0]=3 299 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|2,0,0]=3 300 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|2,0,0]=3 301 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|2,0,0]=3 302 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|2,0,0]=3 303 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|2,0,0]=3 304 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|2,0,1]=4 305 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,0,0,0,0,0|2,0,1]=4 306 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|3,0,0]=4 307 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|3,0,0]=4 308 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|3,0,0]=4 309 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|3,0,0]=4 310 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|3,0,0]=4 311 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|3,0,0]=4 312 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|3,0,0]=4 313 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|3,0,0]=4 314 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,0,0,0,0|3,0,0]=4 315 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|2,0,0]=3 316 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,0,0,0,0,0|3,0,0]=4 317 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,0,0,0,0,0|3,0,0]=4 318 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,0,0,0,0,0|2,0,1]=4 319 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,0,0,0,0,0|2,0,1]=4 320 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|3,0,0]=4 321 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|2,0,0]=3 322 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|2,0,0]=3 323 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|2,0,0]=3 324 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|2,0,0]=3 325 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|2,0,0]=3 326 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|2,0,0]=3 327 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|2,0,1]=4 328 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|2,0,1]=4 329 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 330 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 331 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 332 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|3,0,0]=4 333 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|3,0,0]=4 334 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|3,0,0]=4 335 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|3,0,0]=4 336 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|3,0,0]=4 337 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|3,0,0]=4 338 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|3,0,0]=4 339 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|3,0,0]=4 340 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|3,0,0]=4 341 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,0,0,0,0|3,0,0]=4 342 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|2,0,0]=3 343 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|3,0,0]=4 344 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,0,0,0,0,0|3,0,0]=4 345 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,0,0,0,0,0|3,0,0]=4 346 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,0,0,0,0,0|2,0,1]=4 347 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,0,0,0,0,0|2,0,1]=4 348 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,0,0,0,0,0|2,0,1]=4 349 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 350 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 351 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,0,0,0,0,0|3,0,0]=4 352 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,0,0,0,0,0|3,0,0]=4 353 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,0,0,0,0,0|3,0,0]=4 354 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,0,0,0,0,0|3,0,0]=4 355 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,0,0,0,0|3,0,0]=4 356 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,0,0,0,0|3,0,0]=4 357 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,0,0,0,0|3,0,0]=4 358 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,0,0,0,0,0|3,0,0]=4 359 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,0,0,0,0,0|3,0,0]=4 360 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,0,0,0,0,0|3,0,0]=4 361 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,0,0,0,0,0|3,0,0]=4 362 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,0,0,0,0,0|3,0,0]=4 363 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,0,0,0,0,0|3,0,0]=4 364 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,0,0,0,0,0|2,0,1]=4 365 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|2,0,0]=3 366 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|2,0,0]=3 367 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,0,0,0,0,0|3,0,0]=4 368 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,0,0,0,0,0|2,0,1]=4 369 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,0,0,0,0,0|2,0,1]=4 370 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 371 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,0,0,0,0,0|2,0,1]=4 372 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,0,0,0,0,0|2,0,1]=4 373 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 374 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,0,0,0,0,0|2,0,1]=4 375 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,0,0,0,0|2,0,1]=4 376 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|2,0,1]=4 377 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|2,0,0]=3 378 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|3,0,0]=4 379 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,0]=3 380 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 381 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,0,0,0,0,0|2,0,1]=4 382 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|3,0,0]=4 383 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|3,0,0]=4 384 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|2,0,0]=3 385 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|2,0,0]=3 386 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|3,0,0]=4 387 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|3,0,0]=4 388 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|3,0,0]=4 389 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|3,0,0]=4 390 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,0,0,0,0,0|2,0,1]=4 391 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,0,0,0,0,0|2,0,1]=4 394 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,0,0|2,0,0]=3 395 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,0,0|2,0,0]=3 396 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,0,0|2,0,0]=3 397 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,0,0,0,0,0|3,0,0]=4 398 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,0,0,0,0,0|3,0,0]=4 399 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,0,0,0,0,0|3,0,0]=4 400 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,0,0,0,0,0|3,0,0]=4 401 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,0,0,0,0,0|3,0,0]=4 402 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,0,0,0,0,0|3,0,0]=4 403 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,0,0,0,0,0|3,0,0]=4 404 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,0,0,0,0,0|3,0,0]=4 405 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,0,0,0,0,0|3,0,0]=4 406 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,0,0,0,0,0|3,0,0]=4 407 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,0,0,0,0,0|3,0,0]=4 408 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,0,0,0,0,0|3,0,0]=4 409 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,0,0|2,0,0]=3 410 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,0,0,0,0,0|3,0,0]=4 411 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,0,0,0,0,0|3,0,0]=4 412 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,0,0,0,0,0|3,0,0]=4 413 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,0|2,0,0]=3 414 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,0,0,0,0,0|2,0,1]=4 415 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,0,0,0,0,0|3,0,0]=4 416 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,0,0,0,0,0|3,0,0]=4 417 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,0,0,0,0,0|2,0,1]=4 418 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,0,0,0,0,0|3,0,0]=4 419 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,0,0,0,0,0|3,0,0]=4 420 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,0,0,0,0,0|3,0,0]=4 421 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,0,0,0,0,0|2,0,1]=4 422 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,0,0,0,0,0|2,0,1]=4 423 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,0,0,0,0,0|3,0,0]=4 424 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,0,0,0,0,0|3,0,0]=4 425 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,0,0,0,0,0|3,0,0]=4 426 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,0,0,0,0,0|3,0,0]=4 427 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,0,0,0,0,0|3,0,0]=4 428 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,0,0,0,0,0|2,0,1]=4 429 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,1,0,0,0,0|2,0,1]=4 430 B9R0.7 CC(=O)CCN(C)C(C)C 1458a_100015184040_200000210301 [0,1,0,0,0,0|3,0,0]=4 431 B9R0.7 CC(=O)CCN(C)C(C)C 269982a_200000211004_100000053229 [0,1,0,0,0,0|3,0,0]=4 432 B9R0.7 CC(=O)NCC(O)C(C)C 11a_100000759067_100015343762 [0,1,0,0,0,0|3,0,0]=4 433 B9R0.7 CC(=O)NCC(O)C(C)C 240690a_100000759067_100015343762 [0,1,0,0,0,0|3,0,0]=4 434 B9R0.7 CC(=O)NCC(O)C(C)C 527a_100000759067_100103153847 [0,1,0,0,0,0|3,0,0]=4 435 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,1,0,0,0,0|2,0,1]=4 436 B9R0.7 CC(C)C(C)NCC(=O)N 2230a_100000211541_100000747473 [0,1,0,0,0,0|3,0,0]=4 437 B9R0.7 CC(C)C(C)OCC(=O)N 7a_100000748068_100000187820 [0,1,0,0,0,0|3,0,0]=4 438 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100000730477_100000210206 [0,1,0,0,0,0|3,0,0]=4 439 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100011191440_200000210301 [0,1,0,0,0,0|3,0,0]=4 440 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_100011191440_200000210301 [0,1,0,0,0,0|3,0,0]=4 441 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_200000211004_100000744528 [0,1,0,0,0,0|3,0,0]=4 442 B9R0.7 CC(C)N(C)CCC(=O)[13CH3] 1458a_100015184040_200025704644 [0,1,0,0,0,0|3,0,0]=4 443 B9R0.7 CC(C)N([13CH3])CCC(=O)N 2230a_100011191440_200025704644 [0,1,0,0,0,0|3,0,0]=4 444 B9R0.7 CC(C)N([13CH3])CCC(=O)N 269982a_100011191440_200025704644 [0,1,0,0,0,0|3,0,0]=4 445 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,1,0,0,0,0|2,0,1]=4 446 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,1,0,0,0,0|2,0,1]=4 447 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,1,0,0,0,0|1,0,2]=4 448 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000739694_100000758301 [0,1,0,0,0,0|3,0,0]=4 449 B9R0.23 CCC(C)N(C)CC(=O)N 2230a_100000741768_100000747473 [0,1,0,0,0,0|3,0,0]=4 450 B9R0.23 CCC(C)N(C)CC(=O)N 269982a_100000741768_100000187820 [0,1,0,0,0,0|3,0,0]=4 451 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,1,0,0,0,0|2,0,0]=3 452 B9R0.23 CCC(C)N(C)CC(=O)[O-] 269982a_100000741768_100020667443 [0,1,0,0,0,0|2,0,1]=4 453 B9R0.23 CCC(O)C(=O)CC(=O)N 1458a_100011196387_100000187820 [0,1,0,0,0,0|2,0,1]=4 454 B9R0.23 CCC(O)C(=O)CC(=O)[O-] 1458a_100011196387_100020667443 [0,1,0,0,0,0|1,0,2]=4 455 B9R0.23 CCN(C)C(C)CC(=O)C 1458a_200015187196_200000210301 [0,1,0,0,0,0|3,0,0]=4 456 B9R0.23 CCN(C)C(C)CC(=O)[13CH3] 1458a_200015187196_200025704644 [0,1,0,0,0,0|3,0,0]=4 457 B9R0.23 COC(C)N(C)CC(=O)O 269956a_100000746989_100009879195 [0,1,0,0,0,0|3,0,0]=4 458 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [0,1,0,0,0,0|3,0,0]=4 459 B9R0.24 C=CC(=O)NCC(C)CC 1626a_100020588543_100000185746 [0,1,0,0,0,0|3,0,0]=4 460 B9R0.24 C=CC(=O)NCC(C)CC 240690a_100020588543_200121576911 [0,1,0,0,0,0|3,0,0]=4 461 B9R0.24 C=CC(=O)NCC(O)CC 240690a_100011218483_200121576911 [0,1,0,0,0,0|3,0,0]=4 462 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [0,1,0,0,0,0|3,0,0]=4 463 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [0,1,0,0,0,0|3,0,0]=4 464 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,1,0,0,0,0|2,0,1]=4 465 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,1,0,0,0,0|1,0,1]=3 466 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,1,0,0,0,0|2,0,0]=3 467 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [0,1,0,0,0,0|3,0,0]=4 468 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,1,0,0,0,0|3,0,0]=4 469 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,1,0,0,0,0|2,0,1]=4 470 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [0,1,0,0,0,0|3,0,0]=4 471 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [0,1,0,0,0,0|3,0,0]=4 472 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [0,1,0,0,0,0|3,0,0]=4 473 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [0,1,0,0,0,0|3,0,0]=4 474 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,1,0,0,0,0|2,0,1]=4 475 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [0,1,0,0,0,0|3,0,0]=4 476 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [0,1,0,0,0,0|3,0,0]=4 477 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [0,1,0,0,0,0|3,0,0]=4 478 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [0,1,0,0,0,0|3,0,0]=4 479 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [0,1,0,0,0,0|3,0,0]=4 480 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [0,1,0,0,0,0|3,0,0]=4 481 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [0,1,0,0,0,0|3,0,0]=4 482 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,1,0,0,0,0|2,0,0]=3 483 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,1,0,0,0,0|2,0,0]=3 484 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,1,0,0,0,0|2,0,0]=3 485 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,1,0,0,0,0|2,0,0]=3 486 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,1,0,0,0,0|2,0,0]=3 487 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [0,1,0,0,0,0|2,0,1]=4 488 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [0,1,0,0,0,0|2,0,1]=4 489 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,1,0,0,0,0|2,0,0]=3 490 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,1,0,0,0,0|2,0,0]=3 491 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [0,1,0,0,0,0|3,0,0]=4 492 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [0,1,0,0,0,0|3,0,0]=4 493 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [0,1,0,0,0,0|3,0,0]=4 494 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [0,1,0,0,0,0|3,0,0]=4 495 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [0,1,0,0,0,0|3,0,0]=4 496 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [0,1,0,0,0,0|3,0,0]=4 497 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [0,1,0,0,0,0|3,0,0]=4 498 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [0,1,0,0,0,0|3,0,0]=4 499 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,1,0,0,0,0|2,0,0]=3 500 B9R0.24 CCC(C)NNC(=O)CO 22a_100000718999_100000210174 [0,1,0,0,0,0|3,0,0]=4 501 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [0,1,0,0,0,0|3,0,0]=4 502 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [0,1,0,0,0,0|3,0,0]=4 503 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,1,0,0,0,0|2,0,0]=3 504 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [0,1,0,0,0,0|3,0,0]=4 505 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [0,1,0,0,0,0|3,0,0]=4 506 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,1,0,0,0,0|2,0,0]=3 507 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,1,0,0,0,0|2,0,0]=3 508 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,1,0,0,0,0|2,0,0]=3 509 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,1,0,0,0,0|2,0,0]=3 510 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [0,1,0,0,0,0|2,0,0]=3 511 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [0,1,0,0,0,0|2,0,0]=3 512 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [0,1,0,0,0,0|3,0,0]=4 513 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [0,1,0,0,0,0|3,0,0]=4 514 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [0,1,0,0,0,0|3,0,0]=4 515 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [0,1,0,0,0,0|3,0,0]=4 516 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [0,1,0,0,0,0|3,0,0]=4 517 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [0,1,0,0,0,0|3,0,0]=4 518 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [0,1,0,0,0,0|3,0,0]=4 519 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [0,1,0,0,0,0|3,0,0]=4 520 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [0,1,0,0,0,0|3,0,0]=4 521 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [0,1,0,0,0,0|3,0,0]=4 522 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,1,0,0,0,0|2,0,0]=3 523 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,1,0,0,0,0|2,0,0]=3 524 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,1,0,0,0,0|2,0,0]=3 525 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,1,0,0,0,0|2,0,0]=3 526 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,1,0,0,0,0|2,0,0]=3 527 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,1,0,0,0,0|2,0,0]=3 528 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,1,0,0,0,0|2,0,0]=3 529 B9R0.24 CCS(=O)CCC(=O)CF 1458a_100011387550_100015361967 [0,1,0,0,0,0|3,0,0]=4 530 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [0,1,0,0,0,0|3,0,0]=4 531 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [0,1,0,0,0,0|3,0,0]=4 532 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [0,1,0,0,0,0|3,0,0]=4 533 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [0,1,0,0,0,0|3,0,0]=4 534 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,1,0,0,0,0|2,0,1]=4 535 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,1,0,0,0,0|2,0,1]=4 536 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,1,0,0,0,0|2,0,1]=4 537 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,1,0,0,0,0|2,0,1]=4 538 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,1,0,0,0,0|2,0,1]=4 539 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,1,0,0,0,0|3,0,0]=4 540 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,1,0,0,0,0|3,0,0]=4 541 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,1,0,0,0,0|3,0,0]=4 542 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,1,0,0,0,0|3,0,0]=4 543 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,1,0,0,0,0|3,0,0]=4 544 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,1,0,0,0,0|3,0,0]=4 545 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,1,0,0,0,0|3,0,0]=4 546 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,1,0,0,0,0|3,0,0]=4 547 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,1,0,0,0,0|3,0,0]=4 548 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,1,0,0,0,0|3,0,0]=4 549 B9R0.24 CO[C@H](C)CNC(=O)CO 240690a_100020591295_100000210174 [0,1,0,0,0,0|3,0,0]=4 550 B9R0.24 CO[C@H](C)CNC(=O)CO 527a_100020591295_100000210174 [0,1,0,0,0,0|3,0,0]=4 551 B9R0.24 O=C(CO)NC[C@@H](F)CO 240690a_100015665980_100000210174 [0,1,0,0,0,0|3,0,0]=4 552 B9R0.24 O=C(CO)NC[C@@H](F)CO 527a_100015665980_100000210174 [0,1,0,0,0,0|3,0,0]=4 553 B9R0.24 O=C(CO)NC[C@H](O)CO 240690a_100020644852_100000210174 [0,1,0,0,0,0|3,0,0]=4 554 B9R0.24 O=C(CO)NC[C@H](O)CO 527a_100020644852_100000210174 [0,1,0,0,0,0|3,0,0]=4 555 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,1,0,0,0,0|3,0,0]=4 556 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,1,0,0,0,0|3,0,0]=4 557 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,1,0,0,0,0|3,0,0]=4 558 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,1,0,0,0,0|3,0,0]=4 559 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,1,0,0,0,0|3,0,0]=4 560 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,1,0,0,0,0|3,0,0]=4 561 B9R0.42 CCC(C)NC(F)C(=O)N 2230a_100000209981_100009813875 [0,1,0,0,0,0|3,0,0]=4 562 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,0|2,0,0]=3 563 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,1,0,0,0,0|3,0,0]=4 564 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,1,0,0,0,0|3,0,0]=4 565 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,1,0,0,0,0|3,0,0]=4 566 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,1,0,0,0,0|3,0,0]=4 567 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,1,0,0,0,0|3,0,0]=4 568 B9R0.42 CCC(C)OC(F)C(=O)N 7a_100000210228_100009813875 [0,1,0,0,0,0|3,0,0]=4 569 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,1,0,0,0,0|2,0,1]=4 570 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,1,0,0,0,0|3,0,0]=4 571 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,1,0,0,0,0|3,0,0]=4 572 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,1,0,0,0,0|3,0,0]=4 573 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,1,0,0,0,0|3,0,0]=4 574 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,1,0,0,0,0|3,0,0]=4 575 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,1,0,0,0,0|3,0,0]=4 576 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100000758301_100009813875 [0,1,0,0,0,0|3,0,0]=4 577 B9R0.42 CCC(C)SC(F)C(=O)N 62a_100009813875_100000758301 [0,1,0,0,0,0|3,0,0]=4 578 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100000758301_100020610796 [0,1,0,0,0,0|2,0,1]=4 579 B9R0.42 CCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000758301 [0,1,0,0,0,0|2,0,1]=4 580 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,1,0,0,0,0|3,0,0]=4 581 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,1,0,0,0,0|3,0,0]=4 582 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,1,0,0,0,0|3,0,0]=4 583 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,0,0,0,0|3,0,0]=4 584 B9R0.43 C#CC(CC)OCC(=O)N 34a_100000758843_100000187820 [0,1,0,0,0,0|3,0,0]=4 585 B9R0.43 C#CC(CC)OCC(=O)N 7a_100000758843_100000187820 [0,1,0,0,0,0|3,0,0]=4 586 B9R0.43 C#CC(CC)OCC(=O)[O-] 34a_100000758843_100020667443 [0,1,0,0,0,0|2,0,1]=4 587 B9R0.43 C=CC(CC)OCC(=O)N 34a_100000766422_100000187820 [0,1,0,0,0,0|3,0,0]=4 588 B9R0.43 C=CC(CC)OCC(=O)N 7a_100000766422_100000187820 [0,1,0,0,0,0|3,0,0]=4 589 B9R0.43 C=CC(CC)OCC(=O)[O-] 34a_100000766422_100020667443 [0,1,0,0,0,0|2,0,1]=4 590 B9R0.43 CCC(CC)CNC(=O)C 11a_100102946423_100015343762 [0,1,0,0,0,0|3,0,0]=4 591 B9R0.43 CCC(CC)CNC(=O)C 1626a_100102946423_100015343762 [0,1,0,0,0,0|3,0,0]=4 592 B9R0.43 CCC(CC)CNC(=O)C 240690a_100102946423_100015343762 [0,1,0,0,0,0|3,0,0]=4 593 B9R0.43 CCC(CC)CNC(=O)C 527a_100102946423_100103153847 [0,1,0,0,0,0|3,0,0]=4 594 B9R0.43 CCC(CC)NCC(=O)N 2230a_100000199018_100000747473 [0,1,0,0,0,0|3,0,0]=4 595 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [0,1,0,0,0,0|2,0,0]=3 596 B9R0.43 CCC(CC)OCC(=O)C 1458a_100012002705_200000210301 [0,1,0,0,0,0|3,0,0]=4 597 B9R0.43 CCC(CC)OCC(=O)N 7a_100000688536_100000187820 [0,1,0,0,0,0|3,0,0]=4 598 B9R0.43 CCC(CC)OCC(=O)[13CH3] 1458a_100012002705_200025704644 [0,1,0,0,0,0|3,0,0]=4 599 B9R0.43 CCC(CC)SCC(=O)N 62a_100000210505_100000747473 [0,1,0,0,0,0|3,0,0]=4 600 B9R0.43 CCC(CC)SCC(=O)N 62a_100000747473_100000210505 [0,1,0,0,0,0|3,0,0]=4 601 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100000210505_100020667443 [0,1,0,0,0,0|2,0,1]=4 602 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100020667443_100000210505 [0,1,0,0,0,0|2,0,1]=4 603 B9R0.43 CCC(CNC(=O)C)OC 11a_100000731041_100015343762 [0,1,0,0,0,0|3,0,0]=4 604 B9R0.43 CCC(CNC(=O)C)OC 1626a_100000731041_100015343762 [0,1,0,0,0,0|3,0,0]=4 605 B9R0.43 CCC(CNC(=O)C)OC 240690a_100000731041_100015343762 [0,1,0,0,0,0|3,0,0]=4 606 B9R0.43 CCC(CNC(=O)C)OC 527a_100000731041_100103153847 [0,1,0,0,0,0|3,0,0]=4 607 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000070787_100000700428 [0,1,0,0,0,0|3,0,0]=4 608 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000750416_200000210301 [0,1,0,0,0,0|3,0,0]=4 609 B9R0.43 CCN(CC)CCC(=O)C 269956a_100000042499_100000053229 [0,1,0,0,0,0|3,0,0]=4 610 B9R0.43 CCN(CC)CCC(=O)C 269982a_100000724800_100000053229 [0,1,0,0,0,0|3,0,0]=4 611 B9R0.43 CCN(CC)CCC(=O)N 2230a_100000724800_100000744528 [0,1,0,0,0,0|3,0,0]=4 612 B9R0.43 CCN(CC)CCC(=O)N 2230a_100020645749_100000210202 [0,1,0,0,0,0|3,0,0]=4 613 B9R0.43 CCN(CC)CCC(=O)N 269956a_100000042499_100000744528 [0,1,0,0,0,0|3,0,0]=4 614 B9R0.43 CCN(CC)CCC(=O)N 269982a_100000724800_100000744528 [0,1,0,0,0,0|3,0,0]=4 615 B9R0.43 CCN(CC)CCC(=O)[13CH3] 1458a_100000750416_200025704644 [0,1,0,0,0,0|3,0,0]=4 616 B9R0.43 CC[C@@H](CO)NCC(=O)N 2230a_100000709445_100000747473 [0,1,0,0,0,0|3,0,0]=4 617 B9R0.43 COC(CCC(=O)C)OC 1458a_100000070787_100000139399 [0,1,0,0,0,0|3,0,0]=4 618 B9R0.43 COC(CCC(=O)C)OC 1458a_200000082759_200000210301 [0,1,0,0,0,0|3,0,0]=4 619 B9R0.43 COC(CCC(=O)[13CH3])OC 1458a_200000082759_200025704644 [0,1,0,0,0,0|3,0,0]=4 620 B9R0.43 NCC(CN)OCC(=O)N 34a_100000031598_100000187820 [0,1,0,0,0,0|3,0,0]=4 621 B9R0.43 NCC(CN)OCC(=O)[O-] 34a_100000031598_100020667443 [0,1,0,0,0,0|2,0,1]=4 622 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [0,1,0,0,0,0|3,0,0]=4 623 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,1,0,0,0,0|3,0,0]=4 624 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,1,0,0,0,0|3,0,0]=4 625 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [0,1,0,0,0,0|3,0,0]=4 626 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [0,1,0,0,0,0|3,0,0]=4 627 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [0,1,0,0,0,0|3,0,0]=4 628 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [0,1,0,0,0,0|3,0,0]=4 629 B9R0.48 CC(CC#N)NCC(=O)O 269956a_100016091260_100009813641 [0,1,0,0,0,0|2,0,1]=4 630 B9R0.48 CC(CCBr)OCC(=O)N 34a_100012276601_100000187820 [0,1,0,0,0,0|3,0,0]=4 631 B9R0.48 CC(CCBr)OCC(=O)[O-] 34a_100012276601_100020667443 [0,1,0,0,0,0|2,0,1]=4 632 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [0,1,0,0,0,0|3,0,0]=4 633 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,1,0,0,0,0|2,0,0]=3 634 B9R0.48 CC(CCO)SCC(=O)N 62a_100000747473_100009893172 [0,1,0,0,0,0|3,0,0]=4 635 B9R0.48 CC(CCO)SCC(=O)N 62a_100009893172_100000747473 [0,1,0,0,0,0|3,0,0]=4 636 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100009893172_100020667443 [0,1,0,0,0,0|2,0,1]=4 637 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100020667443_100009893172 [0,1,0,0,0,0|2,0,1]=4 638 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,1,0,0,0,0|2,0,1]=4 639 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,1,0,0,0,0|3,0,0]=4 640 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,1,0,0,0,0|3,0,0]=4 641 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,1,0,0,0,0|2,0,0]=3 642 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,1,0,0,0,0|3,0,0]=4 643 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,1,0,0,0,0|3,0,0]=4 644 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,1,0,0,0,0|3,0,0]=4 645 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,1,0,0,0,0|2,0,1]=4 646 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,1,0,0,0,0|3,0,0]=4 647 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,1,0,0,0,0|3,0,0]=4 648 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,1,0,0,0,0|2,0,1]=4 649 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,1,0,0,0,0|2,0,1]=4 650 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,1,0,0,0,0|3,0,0]=4 651 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,1,0,0,0,0|3,0,0]=4 652 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,1,0,0,0,0|3,0,0]=4 653 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,1,0,0,0,0|3,0,0]=4 654 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,1,0,0,0,0|2,0,1]=4 655 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,1,0,0,0,0|2,0,1]=4 656 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,1,0,0,0,0|2,0,1]=4 657 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,1,0,0,0,0|2,0,1]=4 658 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,1,0,0,0,0|3,0,0]=4 659 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,1,0,0,0,0|2,0,1]=4 660 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,1,0,0,0,0|2,0,1]=4 661 B9R0.48 CN(CCF)CCC(=O)N 2230a_100000730477_100011217306 [0,1,0,0,0,0|3,0,0]=4 662 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000210263_100000744528 [0,1,0,0,0,0|3,0,0]=4 663 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000730477_100000211926 [0,1,0,0,0,0|3,0,0]=4 664 B9R0.48 CN(CCO)CCC(=O)N 269982a_100000210263_100000744528 [0,1,0,0,0,0|3,0,0]=4 665 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,1,0,0,0,0|2,0,1]=4 666 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,1,0,0,0,0|3,0,0]=4 667 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,1,0,0,0,0|3,0,0]=4 668 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,1,0,0,0,0|3,0,0]=4 669 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [0,1,0,0,0,0|3,0,0]=4 670 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [0,1,0,0,0,0|3,0,0]=4 671 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,1,0,0,0,0|3,0,0]=4 672 B9R0.48 COCC(C)NCC(=O)N 2230a_100000711301_100000765312 [0,1,0,0,0,0|3,0,0]=4 673 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,1,0,0,0,0|2,0,0]=3 674 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,1,0,0,0,0|3,0,0]=4 675 B9R0.48 COCC(C)SCC(=O)N 62a_100000747473_100000765312 [0,1,0,0,0,0|3,0,0]=4 676 B9R0.48 COCC(C)SCC(=O)N 62a_100000765312_100000747473 [0,1,0,0,0,0|3,0,0]=4 677 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100000765312_100020667443 [0,1,0,0,0,0|2,0,1]=4 678 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100020667443_100000765312 [0,1,0,0,0,0|2,0,1]=4 679 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,1,0,0,0,0|3,0,0]=4 680 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,1,0,0,0,0|3,0,0]=4 681 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,1,0,0,0,0|3,0,0]=4 682 B9R0.48 COCN(C)CCC(=O)N 2230a_100000730477_100000766300 [0,1,0,0,0,0|3,0,0]=4 683 B9R0.48 COC[C@@H](C)NCC(=O)N 2230a_100000764878_100000747473 [0,1,0,0,0,0|3,0,0]=4 684 B9R0.48 COC[C@@H](C)OCC(=O)N 34a_100011934205_100000187820 [0,1,0,0,0,0|3,0,0]=4 685 B9R0.48 COC[C@@H](C)OCC(=O)[O-] 34a_100011934205_100020667443 [0,1,0,0,0,0|2,0,1]=4 686 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [0,1,0,0,0,0|3,0,0]=4 687 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [0,1,0,0,0,0|3,0,0]=4 688 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [0,1,0,0,0,0|3,0,0]=4 689 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [0,1,0,0,0,0|3,0,0]=4 690 B9R0.48 CSCN(C)CCC(=O)N 2230a_100000730477_100011218213 [0,1,0,0,0,0|3,0,0]=4 691 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [0,1,0,0,0,0|3,0,0]=4 692 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [0,1,0,0,0,0|3,0,0]=4 693 B9R0.48 C[C@H](CCO)NCC(=O)[O-] 34a_100000706166_100020667443 [0,1,0,0,0,0|2,0,1]=4 694 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,1,0,0,0,0|2,0,1]=4 695 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,1,0,0,0,0|2,0,1]=4 696 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,1,0,0,0,0|2,0,1]=4 697 B9R0.64 CCC(C)(C)NCC(=O)N 2230a_100000211385_100000747473 [0,1,0,0,0,0|3,0,0]=4 698 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [0,1,0,0,0,0|2,0,0]=3 699 B9R0.64 CCC(C)(C)OCC(=O)N 7a_100000210230_100000187820 [0,1,0,0,0,0|3,0,0]=4 700 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000032637_100000747473 [0,1,0,0,0,0|3,0,0]=4 701 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000747473_100000032637 [0,1,0,0,0,0|3,0,0]=4 702 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100000032637_100020667443 [0,1,0,0,0,0|2,0,1]=4 703 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100020667443_100000032637 [0,1,0,0,0,0|2,0,1]=4 704 B9R0.64 CCS(=O)(=O)CCC(=O)C 1458a_100000070787_100000756660 [0,1,0,0,0,0|3,0,0]=4 705 B9R0.64 O=C(O)CNC(F)(F)CO 269956a_100016091260_100011217949 [0,1,0,0,0,0|3,0,0]=4 706 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,0,0,1,0,0|3,0,0]=4 707 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,0,0,1,0,0|3,0,0]=4 708 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,0,0,1,0,0|3,0,0]=4 709 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,0,0,1,0,0|3,0,0]=4 710 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,0,0,1,0,0|3,0,0]=4 711 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,0,0,1,0,0|3,0,0]=4 712 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,0,0,1,0,0|3,0,0]=4 713 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,0,0,1,0,0|3,0,0]=4 714 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,0,0,1,0,0|3,0,0]=4 715 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,0,0,1,0,0|3,0,0]=4 716 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,0|2,0,0]=3 717 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,1,0,0|3,0,0]=4 718 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,0,0,1,0,0|3,0,0]=4 719 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,0,0,1,0,0|3,0,0]=4 720 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 721 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 722 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 723 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,0,0,1,0,0|3,0,0]=4 724 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,0|3,0,0]=4 725 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,0|3,0,0]=4 726 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,0|3,0,0]=4 727 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,0,0,1,0,0|3,0,0]=4 728 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,0,0,1,0,0|3,0,0]=4 729 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,0,0,1,0,0|3,0,0]=4 730 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,1,0,0|3,0,0]=4 731 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,0|2,0,0]=3 732 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,0,0,1,0,0|3,0,0]=4 733 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,0,0,1,0,0|3,0,0]=4 734 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,0,0,1,0,0|3,0,0]=4 735 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,0|3,0,0]=4 736 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,0|3,0,0]=4 737 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,0|3,0,0]=4 738 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,0|3,0,0]=4 739 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100015343762 [0,0,0,1,0,0|3,0,0]=4 740 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100015343762 [0,0,0,1,0,0|3,0,0]=4 741 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100103153847 [0,0,0,1,0,0|3,0,0]=4 742 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [0,0,0,1,0,0|3,0,0]=4 743 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [0,0,0,1,0,0|3,0,0]=4 744 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [0,0,0,1,0,0|2,0,1]=4 745 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [0,0,0,1,0,0|2,0,1]=4 746 B9R1.82 CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210202 [0,0,0,1,0,0|2,0,1]=4 747 B9R1.82 CCN(C)C1CC(=O)C1 269982a_100000225621_100009894365 [0,0,0,1,0,0|3,0,0]=4 748 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,0,0,1,0,0|3,0,0]=4 749 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,0,0,1,0,0|3,0,0]=4 750 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,0,0,1,0,0|3,0,0]=4 751 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,0,0,1,0,0|3,0,0]=4 752 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,0,0,1,0,0|3,0,0]=4 753 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,0,0,1,0,0|3,0,0]=4 754 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [0,0,0,1,0,0|3,0,0]=4 755 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [0,0,0,1,0,0|3,0,0]=4 756 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [0,0,0,1,0,0|3,0,0]=4 757 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [0,0,0,1,0,0|3,0,0]=4 758 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [0,0,0,1,0,0|3,0,0]=4 759 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [0,0,0,1,0,0|3,0,0]=4 760 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [0,0,0,1,0,0|3,0,0]=4 761 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [0,0,0,1,0,0|3,0,0]=4 762 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,0,0,1,0,0|3,0,0]=4 763 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,0,0,1,0,0|2,0,0]=3 764 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,0,0,1,0,0|3,0,0]=4 765 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [0,0,0,1,0,0|2,0,1]=4 766 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [0,0,0,1,0,0|2,0,1]=4 767 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,0,0,1,0,0|2,0,1]=4 768 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,0,0,1,0,0|3,0,0]=4 769 B9R1.95 CCC1CN(C1)C(=O)C 11a_100015205115_100015343762 [0,0,0,1,0,0|3,0,0]=4 770 B9R1.95 CCC1CN(C1)C(=O)C 1626a_100015205115_100015343762 [0,0,0,1,0,0|3,0,0]=4 771 B9R1.95 CCC1CN(C1)C(=O)C 240690a_100015205115_100015343762 [0,0,0,1,0,0|3,0,0]=4 772 B9R1.95 CCC1CN(C1)C(=O)C 527a_100015205115_100103153847 [0,0,0,1,0,0|3,0,0]=4 773 B9R1.95 CCN1CC(C1)C(=O)N 34a_100025753142_100000210202 [0,0,0,1,0,0|3,0,0]=4 774 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,0,0,1,0,0|2,0,0]=3 775 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,0,0,1,0,0|3,0,0]=4 776 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,0,0,1,0,0|3,0,0]=4 777 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,0,0,1,0,0|3,0,0]=4 778 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,0,0,1,0,0|2,0,0]=3 779 B9R1.147 CC(=O)NCC1(CC1)C 11a_100000766693_100015343762 [0,0,0,1,0,0|3,0,0]=4 780 B9R1.147 CC(=O)NCC1(CC1)C 1626a_100000766693_100015343762 [0,0,0,1,0,0|3,0,0]=4 781 B9R1.147 CC(=O)NCC1(CC1)C 240690a_100000766693_100015343762 [0,0,0,1,0,0|3,0,0]=4 782 B9R1.147 CC(=O)NCC1(CC1)C 527a_100000766693_100103153847 [0,0,0,1,0,0|3,0,0]=4 783 B9R1.147 CC(=O)NCC1(CC1)O 11a_100011936951_100015343762 [0,0,0,1,0,0|3,0,0]=4 784 B9R1.147 CC(=O)NCC1(CC1)O 240690a_100011936951_100015343762 [0,0,0,1,0,0|3,0,0]=4 785 B9R1.147 CC(=O)NCC1(CC1)O 527a_100011936951_100103153847 [0,0,0,1,0,0|3,0,0]=4 786 B9R1.147 CC1(CC1)NCC(=O)N 2230a_100000757604_100000747473 [0,0,0,1,0,0|3,0,0]=4 787 B9R1.147 CC1(CC1)OCC(=O)N 7a_100011725673_100000187820 [0,0,0,1,0,0|3,0,0]=4 788 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,0,0,0,1,0|3,0,0]=4 789 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,1,0|2,0,1]=4 790 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,0,0,1,0|2,0,1]=4 791 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,0,0,1,0|2,0,1]=4 792 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,0,0,1,0|1,0,2]=4 793 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,0,0,0,1,0|2,0,0]=3 794 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,0,0,0,1,0|2,0,0]=3 795 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,0,0,0,1,0|2,0,0]=3 796 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,0,0,0,1,0|3,0,0]=4 797 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,0,0,0,1,0|3,0,0]=4 798 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,0,0,0,1,0|3,0,0]=4 799 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,0,0,0,1,0|3,0,0]=4 800 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,0,0,0,1,0|2,0,0]=3 801 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,0,0,0,1,0|2,0,0]=3 802 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,0,0,0,1,0|2,0,0]=3 803 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,0,0,0,1,0|3,0,0]=4 804 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,0,0,0,1,0|3,0,0]=4 805 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,0,0,0,1,0|3,0,0]=4 806 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,0,0,0,1,0|3,0,0]=4 807 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,0,0,1,0|2,0,0]=3 808 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,0,0,1,0|2,0,0]=3 809 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,0,0,0,1,0|3,0,0]=4 810 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,0,0,0,1,0|2,0,1]=4 811 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,0,0,1,0|2,0,0]=3 812 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,0,0,0,1,0|2,0,0]=3 813 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,0,0,0,1,0|3,0,0]=4 814 B9R0.1 C=C(Br)CCOC(C)CC 34a_100009813270_100011215416 [0,0,0,0,0,1|3,0,0]=4 815 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,0,0,0,0,1|3,0,0]=4 816 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,0,0,0,0,1|3,0,0]=4 817 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,0,0,0,0,1|3,0,0]=4 818 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,0,0,0,0,1|3,0,0]=4 819 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,0,0,0,0,1|3,0,0]=4 820 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,0,0,0,0,1|3,0,0]=4 821 B9R0.1 C=C(C)CNCC(O)CC 2230a_100011218483_100000748629 [0,0,0,0,0,1|3,0,0]=4 822 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,0,0,0,0,1|3,0,0]=4 823 B9R0.1 C=C(C)COCC(O)CC 34a_100000210245_100011218378 [0,0,0,0,0,1|3,0,0]=4 824 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,0,0,0,0,1|3,0,0]=4 825 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,0,0,0,0,1|3,0,0]=4 826 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,0,0,0,0,1|3,0,0]=4 827 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,0,0,0,0,1|3,0,0]=4 828 B9R0.1 C=C(C)CSCC(O)CC 62a_100000748629_100011218378 [0,0,0,0,0,1|3,0,0]=4 829 B9R0.1 C=C(C)CSCC(O)CC 62a_100011218378_100000211660 [0,0,0,0,0,1|3,0,0]=4 830 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,0,0,0,0,1|3,0,0]=4 831 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,0,0,0,0,1|3,0,0]=4 832 B9R0.1 C=C(F)CNCC(C)CC 2230a_100020588543_100009893438 [0,0,0,0,0,1|3,0,0]=4 833 B9R0.1 C=C(F)CNCC(O)CC 2230a_100011218483_100009893438 [0,0,0,0,0,1|3,0,0]=4 834 B9R0.1 C=C(F)COCC(C)CC 34a_200010262243_100000748023 [0,0,0,0,0,1|3,0,0]=4 835 B9R0.1 C=C(F)COCC(O)CC 34a_200010262243_100011218378 [0,0,0,0,0,1|3,0,0]=4 836 B9R0.1 C=C(F)COC[C@@H](C)CC 34a_200010262243_100009816398 [0,0,0,0,0,1|3,0,0]=4 837 B9R0.1 C=C(F)COC[C@@H](C)CC 7a_100009816381_100000042424 [0,0,0,0,0,1|3,0,0]=4 838 B9R0.1 C=C(F)CSCC(C)CC 62a_100000042424_100000748023 [0,0,0,0,0,1|3,0,0]=4 839 B9R0.1 C=C(F)CSCC(C)CC 62a_100000748023_100000042424 [0,0,0,0,0,1|3,0,0]=4 840 B9R0.1 C=C(F)CSCC(O)CC 62a_100000042424_100011218378 [0,0,0,0,0,1|3,0,0]=4 841 B9R0.1 C=C(F)CSCC(O)CC 62a_100011218378_100000042424 [0,0,0,0,0,1|3,0,0]=4 842 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100000042424_100009816398 [0,0,0,0,0,1|3,0,0]=4 843 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100009816398_100000042424 [0,0,0,0,0,1|3,0,0]=4 844 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [0,0,0,0,0,1|1,0,2]=4 845 B9R0.1 C=C[C@H](N)COCC(=O)N 34a_100016989147_100000187820 [0,0,0,0,0,1|1,0,2]=4 846 B9R0.1 C=C[C@H](N)COCC(=O)[O-] 34a_100016989147_100020667443 [0,0,0,0,0,1|0,0,3]=4 847 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,0,0,0,0,1|3,0,0]=4 848 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,0,0,0,0,1|3,0,0]=4 849 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,0,0,0,0,1|3,0,0]=4 850 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,0,0,0,0,1|3,0,0]=4 851 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,0,0,0,0,1|3,0,0]=4 852 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,0,0,0,0,1|3,0,0]=4 853 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,0,0,0,0,1|3,0,0]=4 854 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,0,0,0,0,1|3,0,0]=4 855 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,0,0,0,0,1|3,0,0]=4 856 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,0,0,0,0,1|3,0,0]=4 857 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,0,0,0,0,1|3,0,0]=4 858 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,0,0,0,0,1|3,0,0]=4 859 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,0,0,0,0,1|2,0,1]=4 860 B9R0.1 CC(CF)OCCC(=O)N 34a_100016041109_100000731001 [0,0,0,0,0,1|3,0,0]=4 861 B9R0.1 CC(CF)OCCC(=O)N 7a_100016041109_100000744528 [0,0,0,0,0,1|3,0,0]=4 862 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [0,0,0,0,0,1|3,0,0]=4 863 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [0,0,0,0,0,1|2,0,1]=4 864 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [0,0,0,0,0,1|3,0,0]=4 865 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [0,0,0,0,0,1|3,0,0]=4 866 B9R0.1 CC(CO)CNCC(=O)[O-] 34a_100000744482_100020667443 [0,0,0,0,0,1|2,0,1]=4 867 B9R0.1 CC(CO)OCCC(=O)N 34a_100000757172_100012180447 [0,0,0,0,0,1|3,0,0]=4 868 B9R0.1 CC(CO)OCCC(=O)N 7a_100000757172_100012180447 [0,0,0,0,0,1|3,0,0]=4 869 B9R0.1 CC(CO)SCCC(=O)N 62a_100012180447_100000744528 [0,0,0,0,0,1|3,0,0]=4 870 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,0,0,0,0,1|2,0,1]=4 871 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,0,0,0,0,1|2,0,1]=4 872 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,0,0,0,0,1|2,0,1]=4 873 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,0,0,0,0,1|2,0,1]=4 874 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [0,0,0,0,0,1|2,0,1]=4 875 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [0,0,0,0,0,1|2,0,1]=4 876 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,0,0,0,0,1|2,0,1]=4 877 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,0,0,0,0,1|2,0,1]=4 878 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,0,0,0,0,1|2,0,1]=4 879 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,0,0,0,0,1|1,0,1]=3 880 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [0,0,0,0,0,1|2,0,1]=4 881 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [0,0,0,0,0,1|2,0,1]=4 882 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [0,0,0,0,0,1|1,0,2]=4 883 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [0,0,0,0,0,1|2,0,1]=4 884 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [0,0,0,0,0,1|2,0,1]=4 885 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [0,0,0,0,0,1|1,0,2]=4 886 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [0,0,0,0,0,1|1,0,2]=4 887 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,0,0,0,0,1|2,0,1]=4 888 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,0,0,0,0,1|2,0,1]=4 889 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,0,0,0,0,1|2,0,1]=4 890 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,0,0,0,0,1|2,0,0]=3 891 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,0,0,0,0,1|2,0,0]=3 892 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,0,0,0,0,1|2,0,0]=3 893 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,0,0,0,0,1|2,0,0]=3 894 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,0,0,0,0,1|2,0,0]=3 895 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,0,0,0,0,1|2,0,0]=3 896 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,0,0,0,0,1|1,0,0]=2 897 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,0,0,0,0,1|2,0,1]=4 898 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,0,0,0,0,1|2,0,1]=4 899 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,0,0,0,0,1|2,0,1]=4 900 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,0,0,0,0,1|2,0,1]=4 901 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,0,0,0,0,1|2,0,1]=4 902 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,0,0,0,0,1|2,0,0]=3 903 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,0,0,0,0,1|2,0,0]=3 904 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,0,0,0,0,1|2,0,0]=3 905 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,0,0,0,0,1|1,0,1]=3 906 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,0,0,0,0,1|1,0,1]=3 907 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,0,0,0,0,1|2,0,1]=4 908 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,0,0,0,0,1|2,0,1]=4 909 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,0,0,0,0,1|2,0,1]=4 910 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,0,0,0,0,1|2,0,1]=4 911 B9R0.1 CCC(C)CSC[N+](=O)[O-] 62a_100000748023_100000761209 [0,0,0,0,0,1|2,0,1]=4 912 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,0,0,0,0,1|2,0,0]=3 913 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,0,0,0,0,1|2,0,1]=4 914 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,0,0,0,0,1|2,0,1]=4 915 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,0,0,0,0,1|2,0,0]=3 916 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,0,0,0,0,1|2,0,0]=3 917 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,0,0,0,0,1|2,0,0]=3 918 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,0,0,0,0,1|2,0,0]=3 919 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,0,0,0,0,1|2,0,0]=3 920 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,0,0,0,0,1|2,0,0]=3 921 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,0,0,0,0,1|2,0,0]=3 922 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,0,0,0,0,1|2,0,1]=4 923 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,0,0,0,0,1|2,0,0]=3 924 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,0,0,0,0,1|2,0,0]=3 925 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,0,0,0,0,1|2,0,0]=3 926 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,0,0,0,0,1|2,0,0]=3 927 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,0,0,0,0,1|2,0,1]=4 928 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,0,0,0,0,1|2,0,1]=4 929 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,0,0,0,0,1|3,0,0]=4 930 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,0,0,0,0,1|3,0,0]=4 931 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [0,0,0,0,0,1|2,0,0]=3 932 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [0,0,0,0,0,1|2,0,0]=3 933 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,0,0,0,0,1|1,0,0]=2 934 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [0,0,0,0,0,1|2,0,1]=4 935 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [0,0,0,0,0,1|2,0,1]=4 936 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [0,0,0,0,0,1|2,0,1]=4 937 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [0,0,0,0,0,1|2,0,1]=4 938 B9R0.1 CCC(O)CNNC(=O)C 22a_100015206393_100000070787 [0,0,0,0,0,1|3,0,0]=4 939 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,0,0,0,0,1|2,0,0]=3 940 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [0,0,0,0,0,1|2,0,0]=3 941 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [0,0,0,0,0,1|2,0,0]=3 942 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [0,0,0,0,0,1|1,0,1]=3 943 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [0,0,0,0,0,1|1,0,1]=3 944 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [0,0,0,0,0,1|2,0,1]=4 945 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [0,0,0,0,0,1|2,0,1]=4 946 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [0,0,0,0,0,1|2,0,1]=4 947 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [0,0,0,0,0,1|2,0,1]=4 948 B9R0.1 CCC(O)CSC[N+](=O)[O-] 62a_100011218378_100000761209 [0,0,0,0,0,1|2,0,1]=4 949 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,0,0,0,0,1|3,0,0]=4 950 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,0,0,0,0,1|3,0,0]=4 951 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [0,0,0,0,0,1|3,0,0]=4 952 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,0,0,0,0,1|2,0,0]=3 953 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,0,0,0,0,1|3,0,0]=4 954 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,0,0,0,0,1|3,0,0]=4 955 B9R0.1 CCN(C)CCNC(=O)N 2230a_100000225621_200000034859 [0,0,0,0,0,1|3,0,0]=4 956 B9R0.1 CCN(C)CCNC(=O)N 269982a_100000225621_200000034859 [0,0,0,0,0,1|3,0,0]=4 957 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,0,0,0,0,1|3,0,0]=4 958 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [0,0,0,0,0,1|3,0,0]=4 959 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,0,0,0,0,1|2,0,0]=3 960 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,0,0,0,0,1|1,0,0]=2 961 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,0,0,0,0,1|2,0,1]=4 962 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,0,0,0,0,1|2,0,1]=4 963 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,0,0,0,0,1|2,0,0]=3 964 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,0,0,0,0,1|2,0,0]=3 965 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,0,0,0,0,1|2,0,1]=4 966 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,0,0,0,0,1|2,0,1]=4 967 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,0,0,0,0,1|2,0,0]=3 968 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,0,0,0,0,1|2,0,0]=3 969 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,0,0,0,0,1|1,0,1]=3 970 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,0,0,0,0,1|1,0,1]=3 971 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,0,0,0,0,1|2,0,1]=4 972 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,0,0,0,0,1|2,0,1]=4 973 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,0,0,0,0,1|2,0,1]=4 974 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,0,0,0,0,1|2,0,1]=4 975 B9R0.1 CC[C@H](C)CSC[N+](=O)[O-] 62a_100009816398_100000761209 [0,0,0,0,0,1|2,0,1]=4 976 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,0,0,0,0,1|3,0,0]=4 977 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [0,0,0,0,0,1|2,0,1]=4 978 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,0,0,0,0,1|2,0,1]=4 979 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,0,0,0,0,1|2,0,1]=4 980 B9R0.1 COC(C)COCC(=O)N 34a_100000690652_100000187820 [0,0,0,0,0,1|3,0,0]=4 981 B9R0.1 COC(C)COCC(=O)[O-] 34a_100000690652_100020667443 [0,0,0,0,0,1|2,0,1]=4 982 B9R0.1 COC(C)NOCC(=O)O 269956a_100000106656_100009879195 [0,0,0,0,0,1|3,0,0]=4 983 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,0,0,0,0,1|3,0,0]=4 984 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,0,0,0,0,1|3,0,0]=4 985 B9R0.1 COC(C)SCCC(=O)N 62a_100000744528_100009879195 [0,0,0,0,0,1|3,0,0]=4 986 B9R0.1 COC(C)SCCC(=O)N 62a_100009879195_100000744528 [0,0,0,0,0,1|3,0,0]=4 987 B9R0.1 CO[C@H](C)CNCC(=O)N 2230a_100020591295_100000747473 [0,0,0,0,0,1|3,0,0]=4 988 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [0,0,0,0,0,1|3,0,0]=4 989 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,0,0,0,0,1|2,0,0]=3 990 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [0,0,0,0,0,1|3,0,0]=4 991 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [0,0,0,0,0,1|3,0,0]=4 992 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100000059175_100020667443 [0,0,0,0,0,1|2,0,1]=4 993 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100020667443_100000059175 [0,0,0,0,0,1|2,0,1]=4 994 B9R0.1 C[C@H](CO)NCCC(=O)N 2230a_100000737577_100000744528 [0,0,0,0,0,1|3,0,0]=4 995 B9R0.1 C[C@H](CO)NOCC(=O)O 269956a_100000106656_100016084084 [0,0,0,0,0,1|3,0,0]=4 996 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100000744528_100016084084 [0,0,0,0,0,1|3,0,0]=4 997 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100016084084_100000744528 [0,0,0,0,0,1|3,0,0]=4 998 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [0,0,0,0,0,1|3,0,0]=4 999 B9R0.1 NC(=O)CNC[C@@H](F)CO 34a_100015665980_100000187820 [0,0,0,0,0,1|3,0,0]=4 1000 B9R0.1 NC(=O)CNC[C@@H](O)CF 2230a_100000711301_100015614560 [0,0,0,0,0,1|3,0,0]=4 1001 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [0,0,0,0,0,1|3,0,0]=4 1002 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [0,0,0,0,0,1|3,0,0]=4 1003 B9R0.1 NC(=O)COCC(Cl)CCl 34a_100000033668_100000187820 [0,0,0,0,0,1|3,0,0]=4 1004 B9R0.1 NC(=O)CSCC(O)CO 62a_100000747473_100011219619 [0,0,0,0,0,1|3,0,0]=4 1005 B9R0.1 NC(=O)CSCC(O)CO 62a_100011219619_100000747473 [0,0,0,0,0,1|3,0,0]=4 1006 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100000747473_100015614560 [0,0,0,0,0,1|3,0,0]=4 1007 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747473 [0,0,0,0,0,1|3,0,0]=4 1008 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100000747473_100009815848 [0,0,0,0,0,1|3,0,0]=4 1009 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747473 [0,0,0,0,0,1|3,0,0]=4 1010 B9R0.1 NC[C@@H](F)COCC(=O)N 34a_100015665980_100000187820 [0,0,0,0,0,1|3,0,0]=4 1011 B9R0.1 NC[C@@H](F)COCC(=O)[O-] 34a_100015665980_100020667443 [0,0,0,0,0,1|2,0,1]=4 1012 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,0,0,0,0,1|2,0,0]=3 1013 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,0,0,0,0,1|2,0,0]=3 1014 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,0,0,0,0,1|2,0,0]=3 1015 B9R0.1 O=C([O-])CNC[C@@H](F)CO 34a_100015665980_100020667443 [0,0,0,0,0,1|2,0,1]=4 1016 B9R0.1 O=C([O-])COCC(Cl)CCl 34a_100000033668_100020667443 [0,0,0,0,0,1|2,0,1]=4 1017 B9R0.1 O=C([O-])CSCC(O)CO 62a_100011219619_100020667443 [0,0,0,0,0,1|2,0,1]=4 1018 B9R0.1 O=C([O-])CSCC(O)CO 62a_100020667443_100011219619 [0,0,0,0,0,1|2,0,1]=4 1019 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100015614560_100020667443 [0,0,0,0,0,1|2,0,1]=4 1020 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100020667443_100015614560 [0,0,0,0,0,1|2,0,1]=4 1021 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100009815848_100020667443 [0,0,0,0,0,1|2,0,1]=4 1022 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100020667443_100009815848 [0,0,0,0,0,1|2,0,1]=4 1023 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [2,0,0,0,0,0|2,0,0]=4 1024 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [2,0,0,0,0,0|2,0,0]=4 1025 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|1,0,1]=4 1026 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|1,0,1]=4 1027 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [2,0,0,0,0,0|2,0,0]=4 1028 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [2,0,0,0,0,0|2,0,0]=4 1029 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [2,0,0,0,0,0|2,0,0]=4 1030 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [2,0,0,0,0,0|2,0,0]=4 1031 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [2,0,0,0,0,0|2,0,0]=4 1032 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [2,0,0,0,0,0|2,0,0]=4 1033 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [2,0,0,0,0,0|2,0,0]=4 1034 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [2,0,0,0,0,0|2,0,0]=4 1035 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [2,0,0,0,0,0|2,0,0]=4 1036 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [2,0,0,0,0,0|2,0,0]=4 1037 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [2,0,0,0,0,0|2,0,0]=4 1038 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [2,0,0,0,0,0|2,0,0]=4 1039 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [2,0,0,0,0,0|2,0,0]=4 1040 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [2,0,0,0,0,0|2,0,0]=4 1041 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [2,0,0,0,0,0|2,0,0]=4 1042 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [2,0,0,0,0,0|2,0,0]=4 1043 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [2,0,0,0,0,0|2,0,0]=4 1044 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [2,0,0,0,0,0|2,0,0]=4 1045 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [2,0,0,0,0,0|2,0,0]=4 1046 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [2,0,0,0,0,0|2,0,0]=4 1047 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 1048 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|2,0,0]=4 1049 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 1050 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 1051 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|2,0,0]=4 1052 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|2,0,0]=4 1053 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [2,0,0,0,0,0|2,0,0]=4 1054 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [2,0,0,0,0,0|2,0,0]=4 1055 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [2,0,0,0,0,0|2,0,0]=4 1056 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [2,0,0,0,0,0|2,0,0]=4 1057 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [2,0,0,0,0,0|2,0,0]=4 1058 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,0]=3 1059 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,0]=3 1060 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,0]=3 1061 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 1062 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 1063 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 1064 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 1065 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 1066 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 1067 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,0]=3 1068 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|2,0,0]=4 1069 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|2,0,0]=4 1070 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 1071 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|2,0,0]=4 1072 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|1,0,1]=4 1073 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|2,0,0]=4 1074 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 1075 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 1076 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|2,0,0]=4 1077 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|1,0,1]=4 1078 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|1,0,1]=4 1079 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|2,0,0]=4 1080 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 1081 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 1082 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 1083 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 1084 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|2,0,0]=4 1085 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|2,0,0]=4 1086 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 1087 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 1088 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 1089 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 1090 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 1091 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|2,0,0]=4 1092 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [2,0,0,0,0,0|2,0,0]=4 1093 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|2,0,0]=4 1094 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|2,0,0]=4 1095 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|2,0,0]=4 1096 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|2,0,0]=4 1097 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 1098 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 1099 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|2,0,0]=4 1100 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [2,0,0,0,0,0|2,0,0]=4 1101 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 1102 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 1103 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 1104 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 1105 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 1106 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 1107 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|2,0,0]=4 1108 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|2,0,0]=4 1109 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|2,0,0]=4 1110 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|2,0,0]=4 1111 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|2,0,0]=4 1112 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|2,0,0]=4 1113 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|2,0,0]=4 1114 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|2,0,0]=4 1115 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|2,0,0]=4 1116 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|2,0,0]=4 1117 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|2,0,0]=4 1118 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|2,0,0]=4 1119 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|2,0,0]=4 1120 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|2,0,0]=4 1121 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|2,0,0]=4 1122 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|2,0,0]=4 1123 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|2,0,0]=4 1124 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|2,0,0]=4 1125 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|2,0,0]=4 1126 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|2,0,0]=4 1127 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|2,0,0]=4 1128 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|2,0,0]=4 1129 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|2,0,0]=4 1130 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|2,0,0]=4 1131 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|2,0,0]=4 1132 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|2,0,0]=4 1133 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|2,0,0]=4 1134 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|2,0,0]=4 1135 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|2,0,0]=4 1136 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|2,0,0]=4 1137 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|2,0,0]=4 1138 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|2,0,0]=4 1139 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1140 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|2,0,0]=4 1141 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1142 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1143 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1144 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|2,0,0]=4 1145 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|2,0,0]=4 1146 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|2,0,0]=4 1147 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|2,0,0]=4 1148 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,1]=4 1149 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,1]=4 1150 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,0]=3 1151 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,1]=4 1152 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,0]=3 1153 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,0]=3 1154 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,1]=4 1155 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,1]=4 1156 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,1]=4 1157 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 1158 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,1]=4 1159 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,1]=4 1160 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 1161 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 1162 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 1163 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 1164 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 1165 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,1]=4 1166 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 1167 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,1]=4 1168 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|2,0,0]=4 1169 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|2,0,0]=4 1170 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,0]=3 1171 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,0]=3 1172 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 1173 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,1]=4 1174 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|2,0,0]=4 1175 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|2,0,0]=4 1176 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|2,0,0]=4 1177 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [2,0,0,0,0,0|2,0,0]=4 1178 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [2,0,0,0,0,0|2,0,0]=4 1179 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [2,0,0,0,0,0|2,0,0]=4 1180 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [2,0,0,0,0,0|2,0,0]=4 1181 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [2,0,0,0,0,0|2,0,0]=4 1182 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [2,0,0,0,0,0|2,0,0]=4 1183 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [2,0,0,0,0,0|2,0,0]=4 1184 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [2,0,0,0,0,0|2,0,0]=4 1185 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 1186 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 1187 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,0]=3 1188 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,0]=3 1189 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 1190 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,1]=4 1191 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [1,1,0,0,0,0|2,0,0]=4 1192 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [1,1,0,0,0,0|2,0,0]=4 1193 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [1,1,0,0,0,0|2,0,0]=4 1194 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [1,1,0,0,0,0|2,0,0]=4 1195 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [1,1,0,0,0,0|2,0,0]=4 1196 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [1,1,0,0,0,0|2,0,0]=4 1197 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [1,1,0,0,0,0|2,0,0]=4 1198 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [1,1,0,0,0,0|2,0,0]=4 1199 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [1,1,0,0,0,0|2,0,0]=4 1200 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [1,1,0,0,0,0|2,0,0]=4 1201 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [1,1,0,0,0,0|2,0,0]=4 1202 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,1]=4 1203 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,1]=4 1204 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,1,0,0,0,0|2,0,0]=4 1205 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,1,0,0,0,0|2,0,0]=4 1206 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [1,1,0,0,0,0|1,0,1]=4 1207 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [1,1,0,0,0,0|1,0,1]=4 1208 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [1,1,0,0,0,0|2,0,0]=4 1209 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [1,1,0,0,0,0|2,0,0]=4 1210 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [1,1,0,0,0,0|2,0,0]=4 1211 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [1,1,0,0,0,0|2,0,0]=4 1212 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [1,1,0,0,0,0|2,0,0]=4 1213 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [1,1,0,0,0,0|2,0,0]=4 1214 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [1,1,0,0,0,0|1,0,1]=4 1215 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|1,0,1]=4 1216 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [1,1,0,0,0,0|2,0,0]=4 1217 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [1,1,0,0,0,0|2,0,0]=4 1218 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [1,1,0,0,0,0|2,0,0]=4 1219 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [1,1,0,0,0,0|2,0,0]=4 1220 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [1,1,0,0,0,0|2,0,0]=4 1221 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [1,1,0,0,0,0|2,0,0]=4 1222 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [1,1,0,0,0,0|2,0,0]=4 1223 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [1,1,0,0,0,0|2,0,0]=4 1224 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [1,1,0,0,0,0|2,0,0]=4 1225 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [1,1,0,0,0,0|2,0,0]=4 1226 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [1,1,0,0,0,0|2,0,0]=4 1227 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [1,1,0,0,0,0|2,0,0]=4 1228 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [1,1,0,0,0,0|2,0,0]=4 1229 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [1,1,0,0,0,0|2,0,0]=4 1230 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [1,1,0,0,0,0|2,0,0]=4 1231 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [1,1,0,0,0,0|2,0,0]=4 1232 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [1,1,0,0,0,0|2,0,0]=4 1233 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [1,1,0,0,0,0|2,0,0]=4 1234 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [1,1,0,0,0,0|2,0,0]=4 1235 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [1,1,0,0,0,0|2,0,0]=4 1236 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [1,1,0,0,0,0|2,0,0]=4 1237 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [1,1,0,0,0,0|2,0,0]=4 1238 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [1,1,0,0,0,0|2,0,0]=4 1239 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [1,1,0,0,0,0|2,0,0]=4 1240 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [1,1,0,0,0,0|2,0,0]=4 1241 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [1,1,0,0,0,0|2,0,0]=4 1242 B8R0.6 C=C[C@H](N)COCC=O 34a_100016989147_200009817547 [1,1,0,0,0,0|0,0,2]=4 1243 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|2,0,0]=4 1244 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|2,0,0]=4 1245 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [1,1,0,0,0,0|1,0,1]=4 1246 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [1,1,0,0,0,0|1,0,1]=4 1247 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [1,1,0,0,0,0|1,0,1]=4 1248 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,0,0,0,0|1,0,1]=4 1249 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,0,0,0,0|1,0,1]=4 1250 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [1,1,0,0,0,0|1,0,0]=3 1251 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [1,1,0,0,0,0|1,0,1]=4 1252 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [1,1,0,0,0,0|1,0,1]=4 1253 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [1,1,0,0,0,0|1,0,1]=4 1254 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [1,1,0,0,0,0|1,0,1]=4 1255 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [1,1,0,0,0,0|1,0,0]=3 1256 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [1,1,0,0,0,0|1,0,0]=3 1257 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [1,1,0,0,0,0|1,0,1]=4 1258 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [1,1,0,0,0,0|1,0,1]=4 1259 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [1,1,0,0,0,0|1,0,1]=4 1260 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [1,1,0,0,0,0|1,0,1]=4 1261 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [1,1,0,0,0,0|1,0,1]=4 1262 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [1,1,0,0,0,0|1,0,1]=4 1263 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [1,1,0,0,0,0|1,0,0]=3 1264 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [1,1,0,0,0,0|1,0,1]=4 1265 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [1,1,0,0,0,0|1,0,1]=4 1266 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [1,1,0,0,0,0|1,0,1]=4 1267 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [1,1,0,0,0,0|1,0,0]=3 1268 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [1,1,0,0,0,0|1,0,0]=3 1269 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [1,1,0,0,0,0|1,0,1]=4 1270 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [1,1,0,0,0,0|1,0,1]=4 1271 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [1,1,0,0,0,0|2,0,0]=4 1272 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [1,1,0,0,0,0|2,0,0]=4 1273 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [1,1,0,0,0,0|1,0,1]=4 1274 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [1,1,0,0,0,0|1,0,1]=4 1275 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [1,1,0,0,0,0|1,0,0]=3 1276 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [1,1,0,0,0,0|1,0,1]=4 1277 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [1,1,0,0,0,0|1,0,0]=3 1278 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [1,1,0,0,0,0|1,0,0]=3 1279 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [1,1,0,0,0,0|1,0,1]=4 1280 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [1,1,0,0,0,0|1,0,1]=4 1281 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [1,1,0,0,0,0|2,0,0]=4 1282 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [1,1,0,0,0,0|2,0,0]=4 1283 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [1,1,0,0,0,0|2,0,0]=4 1284 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [1,1,0,0,0,0|2,0,0]=4 1285 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [1,1,0,0,0,0|2,0,0]=4 1286 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [1,1,0,0,0,0|2,0,0]=4 1287 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [1,1,0,0,0,0|2,0,0]=4 1288 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [1,1,0,0,0,0|2,0,0]=4 1289 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [1,1,0,0,0,0|2,0,0]=4 1290 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [1,1,0,0,0,0|2,0,0]=4 1291 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [1,1,0,0,0,0|2,0,0]=4 1292 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [1,1,0,0,0,0|2,0,0]=4 1293 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [1,1,0,0,0,0|2,0,0]=4 1294 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [1,1,0,0,0,0|2,0,0]=4 1295 B8R0.8 CC(C)C(C)NCC=O 2230a_100000211541_200015260668 [1,1,0,0,0,0|2,0,0]=4 1296 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [1,1,0,0,0,0|2,0,0]=4 1297 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [1,1,0,0,0,0|2,0,0]=4 1298 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [1,1,0,0,0,0|2,0,0]=4 1299 B8R0.11 C#CC(CC)OCC=O 34a_100000758843_200009817547 [1,1,0,0,0,0|2,0,0]=4 1300 B8R0.11 C#CC(CC)OCC=O 7a_100000758843_200015260668 [1,1,0,0,0,0|2,0,0]=4 1301 B8R0.11 C=CC(CC)OCC=O 34a_100000766422_200009817547 [1,1,0,0,0,0|2,0,0]=4 1302 B8R0.11 C=CC(CC)OCC=O 7a_100000766422_200015260668 [1,1,0,0,0,0|2,0,0]=4 1303 B8R0.11 CCC(CC)NCC=O 2230a_100000199018_200015260668 [1,1,0,0,0,0|2,0,0]=4 1304 B8R0.11 CCC(CC)OCC=O 7a_100000688536_200015260668 [1,1,0,0,0,0|2,0,0]=4 1305 B8R0.11 CCC(CC)SCC=O 62a_100000210505_200015260668 [1,1,0,0,0,0|2,0,0]=4 1306 B8R0.11 CCC(CC)SCC=O 62a_200015260668_100000210505 [1,1,0,0,0,0|2,0,0]=4 1307 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [1,1,0,0,0,0|1,0,1]=4 1308 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [1,1,0,0,0,0|1,0,1]=4 1309 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [1,1,0,0,0,0|1,0,1]=4 1310 B8R0.11 CC[C@@H](CO)NCC=O 2230a_100000709445_200015260668 [1,1,0,0,0,0|2,0,0]=4 1311 B8R0.11 NCC(CN)OCC=O 34a_100000031598_200009817547 [1,1,0,0,0,0|2,0,0]=4 1312 B8R0.25 CCC(C)(C)NCC=O 2230a_100000211385_200015260668 [1,1,0,0,0,0|2,0,0]=4 1313 B8R0.25 CCC(C)(C)OCC=O 7a_100000210230_200015260668 [1,1,0,0,0,0|2,0,0]=4 1314 B8R0.25 CCC(C)(C)SCC=O 62a_100000032637_200015260668 [1,1,0,0,0,0|2,0,0]=4 1315 B8R0.25 CCC(C)(C)SCC=O 62a_200015260668_100000032637 [1,1,0,0,0,0|2,0,0]=4 1316 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|1,0,1]=4 1317 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|1,0,1]=4 1318 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|1,0,1]=4 1319 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,1]=4 1320 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,1]=4 1321 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|0,0,2]=4 1322 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|1,0,0]=3 1323 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|1,0,0]=3 1324 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|1,0,0]=3 1325 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 1326 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 1327 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 1328 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|2,0,0]=4 1329 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [1,1,0,0,0,0|2,0,0]=4 1330 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [1,1,0,0,0,0|2,0,0]=4 1331 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [1,1,0,0,0,0|2,0,0]=4 1332 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|1,0,0]=3 1333 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [1,1,0,0,0,0|1,0,1]=4 1334 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|2,0,0]=4 1335 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|2,0,0]=4 1336 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|2,0,0]=4 1337 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|2,0,0]=4 1338 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [1,1,0,0,0,0|2,0,0]=4 1339 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,1,0,0,0,0|2,0,0]=4 1340 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,1,0,0,0,0|2,0,0]=4 1341 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|1,0,0]=3 1342 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,1,0,0,0,0|2,0,0]=4 1343 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,1,0,0,0,0|2,0,0]=4 1344 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,1,0,0,0,0|2,0,0]=4 1345 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|1,0,0]=3 1346 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,1,0,0,0,0|1,0,1]=4 1347 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,1,0,0,0,0|1,0,1]=4 1348 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,1,0,0,0,0|1,0,1]=4 1349 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [1,1,0,0,0,0|0,0,2]=4 1350 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,1,0,0,0,0|0,0,2]=4 1351 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [1,1,0,0,0,0|2,0,0]=4 1352 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|2,0,0]=4 1353 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|2,0,0]=4 1354 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|2,0,0]=4 1355 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|2,0,0]=4 1356 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|2,0,0]=4 1357 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|2,0,0]=4 1358 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|2,0,0]=4 1359 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|2,0,0]=4 1360 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|2,0,0]=4 1361 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|2,0,0]=4 1362 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|2,0,0]=4 1363 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [1,1,0,0,0,0|2,0,0]=4 1364 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [1,1,0,0,0,0|2,0,0]=4 1365 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [1,1,0,0,0,0|2,0,0]=4 1366 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [1,1,0,0,0,0|2,0,0]=4 1367 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [1,1,0,0,0,0|2,0,0]=4 1368 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [1,1,0,0,0,0|2,0,0]=4 1369 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [1,1,0,0,0,0|2,0,0]=4 1370 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,1,0,0,0,0|1,0,1]=4 1371 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,1,0,0,0,0|1,0,1]=4 1372 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,1,0,0,0,0|1,0,1]=4 1373 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,1,0,0,0,0|0,0,2]=4 1374 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [1,1,0,0,0,0|0,0,2]=4 1375 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,1,0,0,0,0|1,0,1]=4 1376 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|1,0,0]=3 1377 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|1,0,0]=3 1378 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|1,0,0]=3 1379 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,0]=3 1380 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,0]=3 1381 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 1382 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 1383 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,1,0,0,0,0|2,0,0]=4 1384 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,1,0,0,0,0|2,0,0]=4 1385 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 1386 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 1387 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,1,0,0,0,0|2,0,0]=4 1388 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,1,0,0,0,0|2,0,0]=4 1389 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 1390 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 1391 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,1,0,0,0,0|2,0,0]=4 1392 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,1,0,0,0,0|2,0,0]=4 1393 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,1,0,0,0,0|2,0,0]=4 1394 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,1,0,0,0,0|2,0,0]=4 1395 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,1,0,0,0,0|2,0,0]=4 1396 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,1,0,0,0,0|2,0,0]=4 1397 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,1,0,0,0,0|2,0,0]=4 1398 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,1,0,0,0,0|2,0,0]=4 1399 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,1,0,0,0,0|2,0,0]=4 1400 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,1,0,0,0,0|2,0,0]=4 1401 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,0,0,0,0|2,0,0]=4 1402 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,0,0,0,0|2,0,0]=4 1403 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,1,0,0,0,0|2,0,0]=4 1404 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,1,0,0,0,0|2,0,0]=4 1405 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|1,0,1]=4 1406 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|1,0,1]=4 1407 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|1,0,1]=4 1408 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|1,0,1]=4 1409 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|1,0,1]=4 1410 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|1,0,0]=3 1411 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|1,0,0]=3 1412 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|1,0,0]=3 1413 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 1414 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 1415 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 1416 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,0]=3 1417 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,1,0,0,0,0|1,0,0]=3 1418 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,1,0,0,0,0|1,0,0]=3 1419 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,1,0,0,0,0|1,0,0]=3 1420 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|0,0,0]=2 1421 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|1,0,1]=4 1422 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|1,0,1]=4 1423 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 1424 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|1,0,1]=4 1425 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|1,0,1]=4 1426 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|1,0,1]=4 1427 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,1,0,0,0,0|2,0,0]=4 1428 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,0]=3 1429 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,0]=3 1430 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,0]=3 1431 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,1,0,0,0,0|1,0,0]=3 1432 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,1,0,0,0,0|1,0,0]=3 1433 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,0]=3 1434 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,1,0,0,0,0|0,0,1]=3 1435 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 1436 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 1437 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 1438 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 1439 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [1,1,0,0,0,0|1,0,1]=4 1440 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|1,0,0]=3 1441 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,1,0,0,0,0|1,0,0]=3 1442 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,1,0,0,0,0|1,0,0]=3 1443 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|1,0,0]=3 1444 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,1,0,0,0,0|0,0,1]=3 1445 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,1,0,0,0,0|0,0,1]=3 1446 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,1,0,0,0,0|1,0,1]=4 1447 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,1,0,0,0,0|1,0,1]=4 1448 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,1,0,0,0,0|1,0,1]=4 1449 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,1,0,0,0,0|1,0,1]=4 1450 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [1,1,0,0,0,0|1,0,1]=4 1451 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|1,0,1]=4 1452 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,1,0,0,0,0|1,0,0]=3 1453 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|1,0,0]=3 1454 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 1455 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 1456 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,1,0,0,0,0|1,0,0]=3 1457 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,1,0,0,0,0|1,0,0]=3 1458 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,1,0,0,0,0|1,0,0]=3 1459 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|1,0,1]=4 1460 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,1,0,0,0,0|2,0,0]=4 1461 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|1,0,0]=3 1462 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|1,0,0]=3 1463 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,1,0,0,0,0|1,0,0]=3 1464 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,1,0,0,0,0|1,0,0]=3 1465 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,1,0,0,0,0|1,0,1]=4 1466 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,1,0,0,0,0|1,0,1]=4 1467 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,1,0,0,0,0|2,0,0]=4 1468 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,1,0,0,0,0|2,0,0]=4 1469 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,1,0,0,0,0|1,0,0]=3 1470 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,1,0,0,0,0|1,0,1]=4 1471 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,1,0,0,0,0|2,0,0]=4 1472 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,1,0,0,0,0|2,0,0]=4 1473 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,1,0,0,0,0|2,0,0]=4 1474 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [1,1,0,0,0,0|2,0,0]=4 1475 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [1,1,0,0,0,0|2,0,0]=4 1476 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|1,0,0]=3 1477 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|1,0,0]=3 1478 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|1,0,0]=3 1479 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|1,0,0]=3 1480 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,0,0,0,0|1,0,0]=3 1481 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|1,0,1]=4 1482 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [1,1,0,0,0,0|1,0,1]=4 1483 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 1484 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,1,0,0,0,0|2,0,0]=4 1485 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 1486 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,1,0,0,0,0|2,0,0]=4 1487 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,1,0,0,0,0|2,0,0]=4 1488 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,1,0,0,0,0|2,0,0]=4 1489 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,1,0,0,0,0|2,0,0]=4 1490 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,1,0,0,0,0|2,0,0]=4 1491 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,1,0,0,0,0|2,0,0]=4 1492 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,1,0,0,0,0|1,0,0]=3 1493 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [1,1,0,0,0,0|2,0,0]=4 1494 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [1,1,0,0,0,0|2,0,0]=4 1495 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [1,1,0,0,0,0|1,0,1]=4 1496 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [1,1,0,0,0,0|1,0,1]=4 1497 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|1,0,0]=3 1498 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|1,0,0]=3 1499 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,1,0,0,0,0|1,0,0]=3 1500 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,1,0,0,0,0|1,0,0]=3 1501 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,1,0,0,0,0|1,0,1]=4 1502 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,1,0,0,0,0|1,0,1]=4 1503 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 1504 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 1505 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 1506 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,1,0,0,0,0|2,0,0]=4 1507 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,1,0,0,0,0|2,0,0]=4 1508 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,1,0,0,0,0|2,0,0]=4 1509 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,1,0,0,0,0|2,0,0]=4 1510 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,1,0,0,0,0|2,0,0]=4 1511 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,1,0,0,0,0|2,0,0]=4 1512 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,1,0,0,0,0|2,0,0]=4 1513 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,1,0,0,0,0|2,0,0]=4 1514 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,1,0,0,0,0|2,0,0]=4 1515 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [1,1,0,0,0,0|1,0,1]=4 1516 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [1,1,0,0,0,0|1,0,1]=4 1517 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [1,1,0,0,0,0|1,0,1]=4 1518 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,0]=3 1519 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,0]=3 1520 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,1,0,0,0,0|1,0,0]=3 1521 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,1,0,0,0,0|2,0,0]=4 1522 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,1,0,0,0,0|2,0,0]=4 1523 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,1,0,0,0,0|2,0,0]=4 1524 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 1525 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,1,0,0,0,0|2,0,0]=4 1526 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 1527 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [1,1,0,0,0,0|2,0,0]=4 1528 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [1,1,0,0,0,0|2,0,0]=4 1529 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [1,1,0,0,0,0|2,0,0]=4 1530 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,1,0,0,0,0|1,0,0]=3 1531 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [1,1,0,0,0,0|1,0,1]=4 1532 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,0]=3 1533 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,0]=3 1534 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,1,0,0,0,0|1,0,0]=3 1535 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,1,0,0,0,0|1,0,0]=3 1536 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [1,1,0,0,0,0|1,0,1]=4 1537 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [1,1,0,0,0,0|1,0,1]=4 1538 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 1539 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 1540 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,1,0,0,0,0|2,0,0]=4 1541 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,1,0,0,0,0|2,0,0]=4 1542 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,1,0,0,0,0|2,0,0]=4 1543 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,1,0,0,0,0|2,0,0]=4 1544 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [1,1,0,0,0,0|2,0,0]=4 1545 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [1,1,0,0,0,0|2,0,0]=4 1546 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,1,0,0,0,0|1,0,0]=3 1547 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,1,0,0,0,0|2,0,0]=4 1548 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,1,0,0,0,0|2,0,0]=4 1549 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [1,1,0,0,0,0|2,0,0]=4 1550 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [1,1,0,0,0,0|2,0,0]=4 1551 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,1,0,0,0,0|2,0,0]=4 1552 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,1,0,0,0,0|1,0,1]=4 1553 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [1,1,0,0,0,0|2,0,0]=4 1554 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [1,1,0,0,0,0|2,0,0]=4 1555 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [1,1,0,0,0,0|1,0,1]=4 1556 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [1,1,0,0,0,0|1,0,1]=4 1557 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [1,1,0,0,0,0|2,0,0]=4 1558 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,1,0,0,0,0|2,0,0]=4 1559 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,1,0,0,0,0|2,0,0]=4 1560 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [1,1,0,0,0,0|2,0,0]=4 1561 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [1,1,0,0,0,0|2,0,0]=4 1562 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [1,1,0,0,0,0|1,0,1]=4 1563 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [1,1,0,0,0,0|1,0,1]=4 1564 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,0]=3 1565 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,0]=3 1566 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 1567 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 1568 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 1569 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,1,0,0,0,0|2,0,0]=4 1570 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,0,0,0,0|2,0,0]=4 1571 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,0,0,0,0|2,0,0]=4 1572 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,1,0,0,0,0|2,0,0]=4 1573 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,1,0,0,0,0|2,0,0]=4 1574 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [1,1,0,0,0,0|2,0,0]=4 1575 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [1,1,0,0,0,0|2,0,0]=4 1576 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,1,0,0,0,0|1,0,0]=3 1577 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,1,0,0,0,0|2,0,0]=4 1578 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [1,1,0,0,0,0|2,0,0]=4 1579 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [1,1,0,0,0,0|2,0,0]=4 1580 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [1,1,0,0,0,0|2,0,0]=4 1581 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [1,1,0,0,0,0|2,0,0]=4 1582 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [1,1,0,0,0,0|1,0,1]=4 1583 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [1,1,0,0,0,0|2,0,0]=4 1584 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [1,1,0,0,0,0|2,0,0]=4 1585 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [1,1,0,0,0,0|1,0,1]=4 1586 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [1,1,0,0,0,0|1,0,1]=4 1587 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [1,1,0,0,0,0|2,0,0]=4 1588 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,1,0,0,0,0|2,0,0]=4 1589 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [1,1,0,0,0,0|2,0,0]=4 1590 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,1,0,0,0,0|2,0,0]=4 1591 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,1,0,0,0,0|2,0,0]=4 1592 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [1,1,0,0,0,0|2,0,0]=4 1593 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [1,1,0,0,0,0|2,0,0]=4 1594 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [1,1,0,0,0,0|1,0,1]=4 1595 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [1,1,0,0,0,0|2,0,0]=4 1596 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [1,1,0,0,0,0|2,0,0]=4 1597 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [1,1,0,0,0,0|2,0,0]=4 1598 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [1,1,0,0,0,0|2,0,0]=4 1599 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [1,1,0,0,0,0|2,0,0]=4 1600 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [1,1,0,0,0,0|2,0,0]=4 1601 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [1,1,0,0,0,0|2,0,0]=4 1602 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [1,1,0,0,0,0|2,0,0]=4 1603 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [1,1,0,0,0,0|2,0,0]=4 1604 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [1,1,0,0,0,0|2,0,0]=4 1605 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [1,1,0,0,0,0|2,0,0]=4 1606 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [1,1,0,0,0,0|2,0,0]=4 1607 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [1,1,0,0,0,0|2,0,0]=4 1608 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [1,1,0,0,0,0|2,0,0]=4 1609 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [1,1,0,0,0,0|2,0,0]=4 1610 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [1,1,0,0,0,0|2,0,0]=4 1611 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [1,1,0,0,0,0|2,0,0]=4 1612 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [1,1,0,0,0,0|2,0,0]=4 1613 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [1,1,0,0,0,0|2,0,0]=4 1614 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [1,1,0,0,0,0|2,0,0]=4 1615 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [1,1,0,0,0,0|2,0,0]=4 1616 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [1,1,0,0,0,0|2,0,0]=4 1617 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [1,1,0,0,0,0|2,0,0]=4 1618 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [1,1,0,0,0,0|2,0,0]=4 1619 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [1,1,0,0,0,0|2,0,0]=4 1620 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [1,1,0,0,0,0|2,0,0]=4 1621 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,1,0,0,0,0|2,0,0]=4 1622 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,1,0,0,0,0|1,0,1]=4 1623 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,1,0,0,0,0|2,0,0]=4 1624 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,1,0,0,0,0|1,0,0]=3 1625 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,1,0,0,0,0|1,0,0]=3 1626 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [1,1,0,0,0,0|2,0,0]=4 1627 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [1,1,0,0,0,0|2,0,0]=4 1628 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [1,1,0,0,0,0|1,0,1]=4 1629 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [1,1,0,0,0,0|1,0,1]=4 1630 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [1,1,0,0,0,0|1,0,1]=4 1631 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [1,1,0,0,0,0|1,0,1]=4 1632 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [1,1,0,0,0,0|1,0,1]=4 1633 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [1,1,0,0,0,0|1,0,1]=4 1634 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [1,1,0,0,0,0|1,0,1]=4 1635 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [1,1,0,0,0,0|1,0,1]=4 1636 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|1,0,0]=3 1637 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,1,0,0,0,0|2,0,0]=4 1638 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,1,0,0,0,0|1,0,0]=3 1639 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,1,0,0,0,0|1,0,0]=3 1640 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,1,0,0,0,0|1,0,0]=3 1641 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,1,0,0,0,0|1,0,0]=3 1642 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [1,1,0,0,0,0|1,0,1]=4 1643 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [1,1,0,0,0,0|1,0,1]=4 1644 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [1,1,0,0,0,0|1,0,1]=4 1645 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [1,1,0,0,0,0|1,0,1]=4 1646 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [1,1,0,0,0,0|2,0,0]=4 1647 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [1,1,0,0,0,0|2,0,0]=4 1648 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,1,0,0,0,0|1,0,1]=4 1649 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|1,0,1]=4 1650 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,1,0,0,0,0|1,0,1]=4 1651 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|1,0,0]=3 1652 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|1,0,0]=3 1653 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|1,0,0]=3 1654 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|2,0,0]=4 1655 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|2,0,0]=4 1656 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|2,0,0]=4 1657 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 1658 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 1659 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|2,0,0]=4 1660 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|2,0,0]=4 1661 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|2,0,0]=4 1662 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|2,0,0]=4 1663 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|2,0,0]=4 1664 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|2,0,0]=4 1665 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|2,0,0]=4 1666 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 1667 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 1668 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 1669 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|2,0,0]=4 1670 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|2,0,0]=4 1671 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|2,0,0]=4 1672 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [1,1,0,0,0,0|2,0,0]=4 1673 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [1,1,0,0,0,0|1,0,1]=4 1674 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|1,0,0]=3 1675 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [1,1,0,0,0,0|2,0,0]=4 1676 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [1,1,0,0,0,0|2,0,0]=4 1677 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [1,1,0,0,0,0|2,0,0]=4 1678 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,1,0,0,0,0|1,0,0]=3 1679 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [1,1,0,0,0,0|1,0,1]=4 1680 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [1,1,0,0,0,0|2,0,0]=4 1681 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|2,0,0]=4 1682 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [1,1,0,0,0,0|1,0,1]=4 1683 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [1,1,0,0,0,0|2,0,0]=4 1684 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [1,1,0,0,0,0|2,0,0]=4 1685 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [1,1,0,0,0,0|1,0,1]=4 1686 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [1,1,0,0,0,0|1,0,1]=4 1687 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [1,1,0,0,0,0|2,0,0]=4 1688 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [1,1,0,0,0,0|2,0,0]=4 1689 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [1,1,0,0,0,0|2,0,0]=4 1690 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,1,0,0,0,0|2,0,0]=4 1691 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 1692 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 1693 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [1,1,0,0,0,0|2,0,0]=4 1694 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [1,1,0,0,0,0|2,0,0]=4 1695 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [1,1,0,0,0,0|2,0,0]=4 1696 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [1,1,0,0,0,0|1,0,1]=4 1697 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [1,1,0,0,0,0|2,0,0]=4 1698 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [1,1,0,0,0,0|2,0,0]=4 1699 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [1,1,0,0,0,0|2,0,0]=4 1700 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,1,0,0,0,0|1,0,0]=3 1701 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [1,1,0,0,0,0|1,0,1]=4 1702 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [1,1,0,0,0,0|2,0,0]=4 1703 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [1,1,0,0,0,0|2,0,0]=4 1704 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [1,1,0,0,0,0|1,0,1]=4 1705 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [1,1,0,0,0,0|1,0,1]=4 1706 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,1,0,0,0,0|2,0,0]=4 1707 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,0,0,0,0|1,0,0]=3 1708 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,0,0,0,0|1,0,0]=3 1709 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [1,1,0,0,0,0|2,0,0]=4 1710 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [1,1,0,0,0,0|1,0,1]=4 1711 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [1,1,0,0,0,0|2,0,0]=4 1712 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [1,1,0,0,0,0|1,0,1]=4 1713 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [1,1,0,0,0,0|2,0,0]=4 1714 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,1,0,0,0,0|1,0,0]=3 1715 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [1,1,0,0,0,0|2,0,0]=4 1716 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [1,1,0,0,0,0|2,0,0]=4 1717 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [1,1,0,0,0,0|1,0,1]=4 1718 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [1,1,0,0,0,0|1,0,1]=4 1719 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [1,1,0,0,0,0|2,0,0]=4 1720 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [1,1,0,0,0,0|2,0,0]=4 1721 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [1,1,0,0,0,0|2,0,0]=4 1722 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [1,1,0,0,0,0|2,0,0]=4 1723 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [1,1,0,0,0,0|2,0,0]=4 1724 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [1,1,0,0,0,0|2,0,0]=4 1725 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [1,1,0,0,0,0|2,0,0]=4 1726 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [1,1,0,0,0,0|2,0,0]=4 1727 B8R0.29 CC(=O)CCC(C)(F)F 1458a_100000030992_200000210301 [1,1,0,0,0,0|2,0,0]=4 1728 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [1,1,0,0,0,0|2,0,0]=4 1729 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [1,1,0,0,0,0|2,0,0]=4 1730 B8R0.29 CC(F)(F)CCC(=O)[13CH3] 1458a_100000030992_200025704644 [1,1,0,0,0,0|2,0,0]=4 1731 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,1,0|2,0,0]=4 1732 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,1,0,0,1,0|2,0,0]=4 1733 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,1,0,0,1,0|2,0,0]=4 1734 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,1,0,0,1,0|2,0,0]=4 1735 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,1,0,0,1,0|0,0,0]=2 1736 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,1,0,0,1,0|0,0,0]=2 1737 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,1,0,0,1,0|1,0,0]=3 1738 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,1,0,0,1,0|1,0,0]=3 1739 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,1,0,0,1,0|2,0,0]=4 1740 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,1,0,0,1,0|2,0,0]=4 1741 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,1,0,0,1,0|2,0,0]=4 1742 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,1,0,0,1,0|2,0,0]=4 1743 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,1,0,0,1,0|2,0,0]=4 1744 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,1,0,0,1,0|2,0,0]=4 1745 B10R0.3 C=C(C)COCC(N)COC 34a_100000724102_100000748629 [0,1,0,0,0,1|2,0,0]=4 1746 B10R0.3 C=C(C)COC[C@@H](N)CCC 34a_100000732646_100000748629 [0,1,0,0,0,1|2,0,0]=4 1747 B10R0.3 C=C(F)COCC(N)COC 34a_100000724102_100009893438 [0,1,0,0,0,1|2,0,0]=4 1748 B10R0.3 C=C(F)COC[C@@H](N)CCC 34a_100000732646_100009893438 [0,1,0,0,0,1|2,0,0]=4 1749 B10R0.3 C=CC[C@@H](N)COCC(=O)N 34a_100020615467_100000187820 [0,1,0,0,0,1|1,0,1]=4 1750 B10R0.3 C=CC[C@@H](N)COCC(=O)[O-] 34a_100020615467_100020667443 [0,1,0,0,0,1|0,0,2]=4 1751 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,1,0,0,0,1|2,0,0]=4 1752 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,1,0,0,0,1|2,0,0]=4 1753 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,1,0,0,0,1|2,0,0]=4 1754 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,1,0,0,0,1|2,0,0]=4 1755 B10R0.3 CC(CCBr)OCCC(=O)N 34a_100012276601_100000731001 [0,1,0,0,0,1|2,0,0]=4 1756 B10R0.3 CC(CCN)COCC(=O)N 34a_106354213184_100000187820 [0,1,0,0,0,1|2,0,0]=4 1757 B10R0.3 CC(CCN)COCC(=O)[O-] 34a_106354213184_100020667443 [0,1,0,0,0,1|1,0,1]=4 1758 B10R0.3 CC(CCO)NOCC(=O)O 269956a_100000106656_100009893172 [0,1,0,0,0,1|2,0,0]=4 1759 B10R0.3 CC(CCO)OCCC(=O)N 34a_100000757172_100009893172 [0,1,0,0,0,1|2,0,0]=4 1760 B10R0.3 CC(CCO)OCCC(=O)N 7a_100000757172_100009893172 [0,1,0,0,0,1|2,0,0]=4 1761 B10R0.3 CC(CCO)SCCC(=O)N 62a_100000744528_100009893172 [0,1,0,0,0,1|2,0,0]=4 1762 B10R0.3 CC(CCO)SCCC(=O)N 62a_100009893172_100000744528 [0,1,0,0,0,1|2,0,0]=4 1763 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,1,0,0,0,1|1,0,1]=4 1764 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [0,1,0,0,0,1|2,0,0]=4 1765 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,1,0,0,0,1|1,0,0]=3 1766 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,1,0,0,0,1|2,0,0]=4 1767 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [0,1,0,0,0,1|2,0,0]=4 1768 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [0,1,0,0,0,1|2,0,0]=4 1769 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [0,1,0,0,0,1|1,0,1]=4 1770 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [0,1,0,0,0,1|2,0,0]=4 1771 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [0,1,0,0,0,1|2,0,0]=4 1772 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [0,1,0,0,0,1|1,0,1]=4 1773 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [0,1,0,0,0,1|1,0,1]=4 1774 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [0,1,0,0,0,1|2,0,0]=4 1775 B10R0.3 CCCC(C)NOCC(=O)O 269956a_100000106656_100000766640 [0,1,0,0,0,1|2,0,0]=4 1776 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,1,0,0,0,1|2,0,0]=4 1777 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,1,0,0,0,1|2,0,0]=4 1778 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,1,0,0,0,1|2,0,0]=4 1779 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [0,1,0,0,0,1|2,0,0]=4 1780 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [0,1,0,0,0,1|2,0,0]=4 1781 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [0,1,0,0,0,1|2,0,0]=4 1782 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [0,1,0,0,0,1|2,0,0]=4 1783 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,1,0,0,0,1|2,0,0]=4 1784 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,1,0,0,0,1|2,0,0]=4 1785 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [0,1,0,0,0,1|2,0,0]=4 1786 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [0,1,0,0,0,1|2,0,0]=4 1787 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,1,0,0,0,1|2,0,0]=4 1788 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [0,1,0,0,0,1|1,0,0]=3 1789 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [0,1,0,0,0,1|0,0,1]=3 1790 B10R0.3 CCC[C@H](N)COCC(C)O 34a_100000732646_100011218427 [0,1,0,0,0,1|1,0,1]=4 1791 B10R0.3 CCC[C@H](N)COC[C@@H](C)O 34a_100000732646_100009817552 [0,1,0,0,0,1|1,0,1]=4 1792 B10R0.3 CCC[C@H](N)COC[N+](=O)[O-] 34a_100000732646_100000761209 [0,1,0,0,0,1|1,0,1]=4 1793 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [0,1,0,0,0,1|1,0,1]=4 1794 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,1,0,0,0,1|1,0,1]=4 1795 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,1,0,0,0,1|1,0,1]=4 1796 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [0,1,0,0,0,1|2,0,0]=4 1797 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [0,1,0,0,0,1|2,0,0]=4 1798 B10R0.3 COCC(C)NOCC(=O)O 269956a_100000106656_100000765312 [0,1,0,0,0,1|2,0,0]=4 1799 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [0,1,0,0,0,1|2,0,0]=4 1800 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [0,1,0,0,0,1|2,0,0]=4 1801 B10R0.3 COCC(C)OCCC(=O)N 34a_100000757172_100000765312 [0,1,0,0,0,1|2,0,0]=4 1802 B10R0.3 COCC(C)OCCC(=O)N 7a_100000757172_100000765312 [0,1,0,0,0,1|2,0,0]=4 1803 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [0,1,0,0,0,1|2,0,0]=4 1804 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [0,1,0,0,0,1|2,0,0]=4 1805 B10R0.3 COCC(C)SCCC(=O)N 62a_100000744528_100000765312 [0,1,0,0,0,1|2,0,0]=4 1806 B10R0.3 COCC(C)SCCC(=O)N 62a_100000765312_100000744528 [0,1,0,0,0,1|2,0,0]=4 1807 B10R0.3 COCC(N)COCC(=O)N 34a_100000724102_100000187820 [0,1,0,0,0,1|1,0,0]=3 1808 B10R0.3 COCC(N)COCC(=O)[O-] 34a_100000724102_100020667443 [0,1,0,0,0,1|0,0,1]=3 1809 B10R0.3 COCC(N)COCC(C)O 34a_100000724102_100011218427 [0,1,0,0,0,1|1,0,1]=4 1810 B10R0.3 COCC(N)COC[C@@H](C)O 34a_100000724102_100009817552 [0,1,0,0,0,1|1,0,1]=4 1811 B10R0.3 COCC(N)COC[N+](=O)[O-] 34a_100000724102_100000761209 [0,1,0,0,0,1|1,0,1]=4 1812 B10R0.3 COCC(O)CNCC(=O)N 2230a_100000756049_100000747473 [0,1,0,0,0,1|2,0,0]=4 1813 B10R0.3 COCC(O)CNCC(=O)N 34a_100000756049_100000187820 [0,1,0,0,0,1|2,0,0]=4 1814 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [0,1,0,0,0,1|1,0,0]=3 1815 B10R0.3 COCC(O)CNCC(=O)[O-] 34a_100000756049_100020667443 [0,1,0,0,0,1|1,0,1]=4 1816 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [0,1,0,0,0,1|2,0,0]=4 1817 B10R0.3 COCC(O)CSCC(=O)N 62a_100000747473_100011215053 [0,1,0,0,0,1|2,0,0]=4 1818 B10R0.3 COCC(O)CSCC(=O)N 62a_100011215053_100000747473 [0,1,0,0,0,1|2,0,0]=4 1819 B10R0.3 COCC(O)CSCC(=O)[O-] 62a_100011215053_100020667443 [0,1,0,0,0,1|1,0,1]=4 1820 B10R0.3 COCC(O)CSCC(=O)[O-] 62a_100020667443_100011215053 [0,1,0,0,0,1|1,0,1]=4 1821 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [0,1,0,0,0,1|2,0,0]=4 1822 B10R0.3 COC[C@@H](C)NCCC(=O)N 2230a_100000764878_100000744528 [0,1,0,0,0,1|2,0,0]=4 1823 B10R0.3 COC[C@@H](C)OCCC(=O)N 34a_100011934205_100000731001 [0,1,0,0,0,1|2,0,0]=4 1824 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [0,1,0,0,0,1|2,0,0]=4 1825 B10R0.3 C[C@H](CCO)NCCC(=O)N 2230a_100000706166_100000744528 [0,1,0,0,0,1|2,0,0]=4 1826 B10R0.3 C[C@H](CCO)NCCC(=O)N 34a_100000706166_100000731001 [0,1,0,0,0,1|2,0,0]=4 1827 B10R0.3 N#CC[C@H](O)CNCC(=O)O 269956a_100016091260_100000001066 [0,1,0,0,0,1|1,0,1]=4 1828 B10R0.44 CCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747405 [0,1,0,0,0,1|1,0,1]=4 1829 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [0,1,0,0,0,1|2,0,0]=4 1830 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [0,1,0,0,0,1|2,0,0]=4 1831 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [0,1,0,0,0,1|1,0,1]=4 1832 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,1,0,0,0,1|2,0,0]=4 1833 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,1,0,0,0,1|2,0,0]=4 1834 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,1,0,0,0,1|2,0,0]=4 1835 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,1,0,0,0,1|2,0,0]=4 1836 B10R0.44 CCC(C)CN(C)CC(=O)N 2230a_100000739694_100000748023 [0,1,0,0,0,1|2,0,0]=4 1837 B10R0.44 CCC(C)CN(C)CC(=O)N 2230a_100000753921_100000747473 [0,1,0,0,0,1|2,0,0]=4 1838 B10R0.44 CCC(C)CN(C)CC(=O)N 269982a_100000753921_100000187820 [0,1,0,0,0,1|2,0,0]=4 1839 B10R0.44 CCC(C)CN(C)CC(=O)N 270004a_100000739694_100000243153 [0,1,0,0,0,1|2,0,0]=4 1840 B10R0.44 CCC(C)CN(C)CC(=O)O 269956a_100000746989_100000748023 [0,1,0,0,0,1|1,0,0]=3 1841 B10R0.44 CCC(C)CN(C)CC(=O)[O-] 269982a_100000753921_100020667443 [0,1,0,0,0,1|1,0,1]=4 1842 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100011667805_100000187820 [0,1,0,0,0,1|2,0,0]=4 1843 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218378 [0,1,0,0,0,1|2,0,0]=4 1844 B10R0.44 CCC(O)CC(=O)CC(=O)[O-] 1458a_100011667805_100020667443 [0,1,0,0,0,1|1,0,1]=4 1845 B10R0.44 CCC(O)CN(C)CC(=O)N 2230a_100000739694_100011218378 [0,1,0,0,0,1|2,0,0]=4 1846 B10R0.44 CCC(O)CN(C)CC(=O)O 269956a_100000746989_100011218378 [0,1,0,0,0,1|1,0,0]=3 1847 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [0,1,0,0,0,1|2,0,0]=4 1848 B10R0.44 CC[C@H](C)CN(C)CC(=O)N 2230a_100000739694_100009816398 [0,1,0,0,0,1|2,0,0]=4 1849 B10R0.44 CC[C@H](C)CN(C)CC(=O)O 269956a_100000746989_100009816398 [0,1,0,0,0,1|1,0,0]=3 1850 B10R0.44 CN(CC(=O)O)CC(O)CO 269956a_100000746989_100011219619 [0,1,0,0,0,1|2,0,0]=4 1851 B10R0.44 CN(CC(=O)O)C[C@@H](O)CF 269956a_100000746989_100015614560 [0,1,0,0,0,1|2,0,0]=4 1852 B10R0.44 CN(CC(=O)O)C[C@@H](O)CO 269956a_100000746989_100009815848 [0,1,0,0,0,1|2,0,0]=4 1853 B10R0.44 C[C@@H](CO)CN(C)CC(=O)O 269956a_100000746989_100000059175 [0,1,0,0,0,1|2,0,0]=4 1854 B10R0.57 CCC(=O)C(C)NCC(=O)O 269956a_100016091260_100000742827 [0,1,0,0,0,1|1,0,1]=4 1855 B10R0.57 CCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000758301 [0,1,0,0,0,1|2,0,0]=4 1856 B10R0.57 CCC(C)C(C)OCC(=O)N 7a_100011215189_100000187820 [0,1,0,0,0,1|2,0,0]=4 1857 B10R0.57 CCC(C)N(C)CCC(=O)C 269982a_100000741768_100000053229 [0,1,0,0,0,1|2,0,0]=4 1858 B10R0.57 CCC(C)N(C)CCC(=O)N 2230a_100000730477_100000758301 [0,1,0,0,0,1|2,0,0]=4 1859 B10R0.57 CCC(C)N(C)CCC(=O)N 2230a_100000741768_100000744528 [0,1,0,0,0,1|2,0,0]=4 1860 B10R0.57 CCC(C)N(C)CCC(=O)N 269982a_100000741768_100000744528 [0,1,0,0,0,1|2,0,0]=4 1861 B10R0.59 C=CC(=O)NCCC(C)CC 1626a_100020591266_100000185746 [0,1,0,0,0,1|2,0,0]=4 1862 B10R0.59 C=CC(=O)NCCC(C)CC 240690a_100020591266_200121576911 [0,1,0,0,0,1|2,0,0]=4 1863 B10R0.59 C=C[C@H](N)COCC(=O)OC 34a_100016989147_100000747449 [0,1,0,0,0,1|0,0,2]=4 1864 B10R0.59 CC(CO)CCNC(=O)CO 240690a_106354213184_100000210174 [0,1,0,0,0,1|2,0,0]=4 1865 B10R0.59 CC(CO)CCNC(=O)CO 527a_106354213184_100000210174 [0,1,0,0,0,1|2,0,0]=4 1866 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,1,0,0,0,1|1,0,1]=4 1867 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,1,0,0,0,1|1,0,1]=4 1868 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [0,1,0,0,0,1|1,0,1]=4 1869 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [0,1,0,0,0,1|2,0,0]=4 1870 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [0,1,0,0,0,1|2,0,0]=4 1871 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [0,1,0,0,0,1|2,0,0]=4 1872 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [0,1,0,0,0,1|2,0,0]=4 1873 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [0,1,0,0,0,1|1,0,1]=4 1874 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [0,1,0,0,0,1|1,0,1]=4 1875 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [0,1,0,0,0,1|1,0,1]=4 1876 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [0,1,0,0,0,1|2,0,0]=4 1877 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [0,1,0,0,0,1|2,0,0]=4 1878 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [0,1,0,0,0,1|2,0,0]=4 1879 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [0,1,0,0,0,1|2,0,0]=4 1880 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [0,1,0,0,0,1|2,0,0]=4 1881 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [0,1,0,0,0,1|2,0,0]=4 1882 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [0,1,0,0,0,1|1,0,1]=4 1883 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,1,0,0,0,1|2,0,0]=4 1884 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,1,0,0,0,1|2,0,0]=4 1885 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,1,0,0,0,1|2,0,0]=4 1886 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,1,0,0,0,1|2,0,0]=4 1887 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,1,0,0,0,1|1,0,0]=3 1888 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,1,0,0,0,1|1,0,0]=3 1889 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,1,0,0,0,1|2,0,0]=4 1890 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,1,0,0,0,1|2,0,0]=4 1891 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,1,0,0,0,1|2,0,0]=4 1892 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,1,0,0,0,1|2,0,0]=4 1893 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,1,0,0,0,1|2,0,0]=4 1894 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,1,0,0,0,1|2,0,0]=4 1895 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [0,1,0,0,0,1|2,0,0]=4 1896 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [0,1,0,0,0,1|2,0,0]=4 1897 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [0,1,0,0,0,1|2,0,0]=4 1898 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,1,0,0,0,1|1,0,0]=3 1899 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [0,1,0,0,0,1|2,0,0]=4 1900 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [0,1,0,0,0,1|2,0,0]=4 1901 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [0,1,0,0,0,1|2,0,0]=4 1902 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,1,0,0,0,1|1,0,0]=3 1903 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,1,0,0,0,1|1,0,0]=3 1904 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [0,1,0,0,0,1|2,0,0]=4 1905 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [0,1,0,0,0,1|2,0,0]=4 1906 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [0,1,0,0,0,1|2,0,0]=4 1907 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,1,0,0,0,1|1,0,0]=3 1908 B10R0.59 CCC(C)OCCC(=NO)N 34a_100000749954_100011215416 [0,1,0,0,0,1|2,0,0]=4 1909 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [0,1,0,0,0,1|2,0,0]=4 1910 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [0,1,0,0,0,1|2,0,0]=4 1911 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,1,0,0,0,1|1,0,0]=3 1912 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [0,1,0,0,0,1|2,0,0]=4 1913 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [0,1,0,0,0,1|2,0,0]=4 1914 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,1,0,0,0,1|1,0,0]=3 1915 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,1,0,0,0,1|1,0,0]=3 1916 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [0,1,0,0,0,1|2,0,0]=4 1917 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100000693194_100011218378 [0,1,0,0,0,1|2,0,0]=4 1918 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100011218483_100000183359 [0,1,0,0,0,1|2,0,0]=4 1919 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,1,0,0,0,1|1,0,0]=3 1920 B10R0.59 CCC(O)CNNC(=O)CO 22a_100015206393_100000210174 [0,1,0,0,0,1|2,0,0]=4 1921 B10R0.59 CCC(O)COCC(=O)NC 34a_100000750040_100011218378 [0,1,0,0,0,1|2,0,0]=4 1922 B10R0.59 CCC(O)CSCC(=O)NC 62a_100000183359_100011218378 [0,1,0,0,0,1|2,0,0]=4 1923 B10R0.59 CCC(O)CSCC(=O)NC 62a_100011218378_100000183359 [0,1,0,0,0,1|2,0,0]=4 1924 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,1,0,0,0,1|1,0,0]=3 1925 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,1,0,0,0,1|1,0,0]=3 1926 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,1,0,0,0,1|2,0,0]=4 1927 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,1,0,0,0,1|2,0,0]=4 1928 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,1,0,0,0,1|2,0,0]=4 1929 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,1,0,0,0,1|2,0,0]=4 1930 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [0,1,0,0,0,1|2,0,0]=4 1931 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [0,1,0,0,0,1|2,0,0]=4 1932 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [0,1,0,0,0,1|2,0,0]=4 1933 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,1,0,0,0,1|1,0,0]=3 1934 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [0,1,0,0,0,1|2,0,0]=4 1935 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [0,1,0,0,0,1|2,0,0]=4 1936 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,1,0,0,0,1|1,0,0]=3 1937 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,1,0,0,0,1|1,0,0]=3 1938 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [0,1,0,0,0,1|2,0,0]=4 1939 B10R0.59 COC(=O)CCOC(C)CF 34a_100016041109_100000742370 [0,1,0,0,0,1|2,0,0]=4 1940 B10R0.59 COC(=O)CCOC(C)CF 7a_100016041109_100000204255 [0,1,0,0,0,1|2,0,0]=4 1941 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [0,1,0,0,0,1|2,0,0]=4 1942 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [0,1,0,0,0,1|2,0,0]=4 1943 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [0,1,0,0,0,1|2,0,0]=4 1944 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [0,1,0,0,0,1|2,0,0]=4 1945 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [0,1,0,0,0,1|2,0,0]=4 1946 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [0,1,0,0,0,1|2,0,0]=4 1947 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,1,0,0,0,1|2,0,0]=4 1948 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,1,0,0,0,1|2,0,0]=4 1949 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [0,1,0,0,0,1|2,0,0]=4 1950 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [0,1,0,0,0,1|2,0,0]=4 1951 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [0,1,0,0,0,1|2,0,0]=4 1952 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,1,0,0,0,1|2,0,0]=4 1953 B10R0.59 COC(=O)COCC(Cl)CCl 34a_100000033668_100000747449 [0,1,0,0,0,1|2,0,0]=4 1954 B10R0.59 COC(=O)COC[C@H](F)CN 34a_100015665980_100000747449 [0,1,0,0,0,1|2,0,0]=4 1955 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [0,1,0,0,0,1|2,0,0]=4 1956 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [0,1,0,0,0,1|2,0,0]=4 1957 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [0,1,0,0,0,1|2,0,0]=4 1958 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [0,1,0,0,0,1|2,0,0]=4 1959 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100000747449_100015614560 [0,1,0,0,0,1|2,0,0]=4 1960 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747449 [0,1,0,0,0,1|2,0,0]=4 1961 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [0,1,0,0,0,1|2,0,0]=4 1962 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [0,1,0,0,0,1|2,0,0]=4 1963 B10R0.65 CC(C)(CO)CNCC(=O)O 269956a_100016091260_100009813988 [0,1,0,0,0,1|2,0,0]=4 1964 B10R0.65 CCC(C)(C)COCC(=O)N 7a_100000765029_100000187820 [0,1,0,0,0,1|2,0,0]=4 1965 B10R0.65 CCC(C)(C)NCCC(=O)N 2230a_100000211385_100000744528 [0,1,0,0,0,1|2,0,0]=4 1966 B10R0.65 CCC(C)(C)NOCC(=O)O 269956a_100000106656_100000032637 [0,1,0,0,0,1|2,0,0]=4 1967 B10R0.65 CCC(C)(C)OCCC(=O)C 7a_100000210230_100000053229 [0,1,0,0,0,1|2,0,0]=4 1968 B10R0.65 CCC(C)(C)OCCC(=O)C 7a_100000759926_100000210677 [0,1,0,0,0,1|2,0,0]=4 1969 B10R0.65 CCC(C)(C)OCCC(=O)N 7a_100000210230_100000744528 [0,1,0,0,0,1|2,0,0]=4 1970 B10R0.65 CCC(C)(C)OCCC(=O)N 7a_100000757172_100000210677 [0,1,0,0,0,1|2,0,0]=4 1971 B10R0.65 CCC(C)(C)SCCC(=O)C 62a_100000032637_100000053229 [0,1,0,0,0,1|2,0,0]=4 1972 B10R0.65 CCC(C)(C)SCCC(=O)C 62a_100000053229_100000032637 [0,1,0,0,0,1|2,0,0]=4 1973 B10R0.65 CCC(C)(C)SCCC(=O)N 62a_100000032637_100000744528 [0,1,0,0,0,1|2,0,0]=4 1974 B10R0.65 CCC(C)(C)SCCC(=O)N 62a_100000744528_100000032637 [0,1,0,0,0,1|2,0,0]=4 1975 B10R0.65 COC(C)(C)CNCC(=O)O 269956a_100016091260_100000701081 [0,1,0,0,0,1|2,0,0]=4 1976 B10R0.77 C#CC(CC)OCCC(=O)C 7a_100000758843_100000053229 [0,1,0,0,0,1|2,0,0]=4 1977 B10R0.77 C#CC(CC)OCCC(=O)N 34a_100000758843_100000731001 [0,1,0,0,0,1|2,0,0]=4 1978 B10R0.77 C#CC(CC)OCCC(=O)N 7a_100000758843_100000744528 [0,1,0,0,0,1|2,0,0]=4 1979 B10R0.77 C=CC(CC)OCCC(=O)C 7a_100000766422_100000053229 [0,1,0,0,0,1|2,0,0]=4 1980 B10R0.77 C=CC(CC)OCCC(=O)N 34a_100000766422_100000731001 [0,1,0,0,0,1|2,0,0]=4 1981 B10R0.77 C=CC(CC)OCCC(=O)N 7a_100000766422_100000744528 [0,1,0,0,0,1|2,0,0]=4 1982 B10R0.77 CCC(CC)CNCC(=O)N 2230a_100000711301_100011215472 [0,1,0,0,0,1|2,0,0]=4 1983 B10R0.77 CCC(CC)CNCC(=O)N 2230a_100102946423_100000747473 [0,1,0,0,0,1|2,0,0]=4 1984 B10R0.77 CCC(CC)CNCC(=O)O 269956a_100016091260_100011215472 [0,1,0,0,0,1|1,0,0]=3 1985 B10R0.77 CCC(CC)COCC(=O)C 34a_100000211253_100011215472 [0,1,0,0,0,1|2,0,0]=4 1986 B10R0.77 CCC(CC)COCC(=O)N 7a_100000703878_100000187820 [0,1,0,0,0,1|2,0,0]=4 1987 B10R0.77 CCC(CC)CSCC(=O)N 62a_100000747473_100011215472 [0,1,0,0,0,1|2,0,0]=4 1988 B10R0.77 CCC(CC)CSCC(=O)N 62a_100011215472_100000747473 [0,1,0,0,0,1|2,0,0]=4 1989 B10R0.77 CCC(CC)CSCC(=O)[O-] 62a_100011215472_100020667443 [0,1,0,0,0,1|1,0,1]=4 1990 B10R0.77 CCC(CC)CSCC(=O)[O-] 62a_100020667443_100011215472 [0,1,0,0,0,1|1,0,1]=4 1991 B10R0.77 CCC(CC)NCCC(=O)N 2230a_100000199018_100000744528 [0,1,0,0,0,1|2,0,0]=4 1992 B10R0.77 CCC(CC)NOCC(=O)O 269956a_100000106656_100000210505 [0,1,0,0,0,1|2,0,0]=4 1993 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000688536_100000053229 [0,1,0,0,0,1|2,0,0]=4 1994 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000759926_100000210505 [0,1,0,0,0,1|2,0,0]=4 1995 B10R0.77 CCC(CC)OCCC(=O)N 7a_100000688536_100000744528 [0,1,0,0,0,1|2,0,0]=4 1996 B10R0.77 CCC(CC)OCCC(=O)N 7a_100000757172_100000210505 [0,1,0,0,0,1|2,0,0]=4 1997 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000053229_100000210505 [0,1,0,0,0,1|2,0,0]=4 1998 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000210505_100000053229 [0,1,0,0,0,1|2,0,0]=4 1999 B10R0.77 CCC(CC)SCCC(=O)N 62a_100000210505_100000744528 [0,1,0,0,0,1|2,0,0]=4 2000 B10R0.77 CCC(CC)SCCC(=O)N 62a_100000744528_100000210505 [0,1,0,0,0,1|2,0,0]=4 2001 B10R0.77 CCC(COCC(=O)N)OC 34a_100011934954_100000187820 [0,1,0,0,0,1|2,0,0]=4 2002 B10R0.77 CCC(COCC(=O)N)OC 7a_100011934954_100000187820 [0,1,0,0,0,1|2,0,0]=4 2003 B10R0.77 CCC(COCC(=O)[O-])OC 34a_100011934954_100020667443 [0,1,0,0,0,1|1,0,1]=4 2004 B10R0.77 CC[C@@H](CO)NCCC(=O)N 2230a_100000709445_100000744528 [0,1,0,0,0,1|2,0,0]=4 2005 B10R0.77 COC(CNCC(=O)O)OC 269956a_100016091260_100000751394 [0,1,0,0,0,1|2,0,0]=4 2006 B10R0.77 NCC(CN)OCCC(=O)N 34a_100000031598_100000731001 [0,1,0,0,0,1|2,0,0]=4 2007 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,1,0,0,0,1|2,0,0]=4 2008 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,1,0,0,0,1|1,0,1]=4 2009 B10R0.82 CCC(C)CNC(C)C(=O)C 2230a_100020588543_100009814033 [0,1,0,0,0,1|2,0,0]=4 2010 B10R0.82 CCC(C)CNC(C)C(=O)N 2230a_100020588543_100000702099 [0,1,0,0,0,1|2,0,0]=4 2011 B10R0.82 CCC(C)CNC(F)C(=O)N 2230a_100020588543_100009813875 [0,1,0,0,0,1|2,0,0]=4 2012 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,1,0,0,0,1|1,0,0]=3 2013 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748023 [0,1,0,0,0,1|2,0,0]=4 2014 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000243153 [0,1,0,0,0,1|2,0,0]=4 2015 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748023 [0,1,0,0,0,1|2,0,0]=4 2016 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,1,0,0,0,1|2,0,0]=4 2017 B10R0.82 CCC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748023 [0,1,0,0,0,1|1,0,1]=4 2018 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748023 [0,1,0,0,0,1|2,0,0]=4 2019 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748023 [0,1,0,0,0,1|2,0,0]=4 2020 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100000748023_100009814033 [0,1,0,0,0,1|2,0,0]=4 2021 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100009814033_100000748023 [0,1,0,0,0,1|2,0,0]=4 2022 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000702099_100000748023 [0,1,0,0,0,1|2,0,0]=4 2023 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000748023_100000702099 [0,1,0,0,0,1|2,0,0]=4 2024 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100000748023_100009813875 [0,1,0,0,0,1|2,0,0]=4 2025 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100009813875_100000748023 [0,1,0,0,0,1|2,0,0]=4 2026 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100000748023_100020610796 [0,1,0,0,0,1|1,0,1]=4 2027 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000748023 [0,1,0,0,0,1|1,0,1]=4 2028 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,1,0,0,0,1|1,0,0]=3 2029 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,1,0,0,0,1|1,0,0]=3 2030 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,1,0,0,0,1|2,0,0]=4 2031 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,1,0,0,0,1|2,0,0]=4 2032 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [0,1,0,0,0,1|2,0,0]=4 2033 B10R0.82 CCC(O)CNC(C)C(=O)C 2230a_100011218483_100009814033 [0,1,0,0,0,1|2,0,0]=4 2034 B10R0.82 CCC(O)CNC(C)C(=O)N 2230a_100011218483_100000702099 [0,1,0,0,0,1|2,0,0]=4 2035 B10R0.82 CCC(O)CNC(F)C(=O)N 2230a_100011218483_100009813875 [0,1,0,0,0,1|2,0,0]=4 2036 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,1,0,0,0,1|1,0,0]=3 2037 B10R0.82 CCC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218378 [0,1,0,0,0,1|2,0,0]=4 2038 B10R0.82 CCC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218378 [0,1,0,0,0,1|2,0,0]=4 2039 B10R0.82 CCC(O)COC(C)C(=O)C 34a_100000212229_100011218378 [0,1,0,0,0,1|2,0,0]=4 2040 B10R0.82 CCC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218378 [0,1,0,0,0,1|1,0,1]=4 2041 B10R0.82 CCC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218378 [0,1,0,0,0,1|2,0,0]=4 2042 B10R0.82 CCC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218378 [0,1,0,0,0,1|2,0,0]=4 2043 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100009814033_100011218378 [0,1,0,0,0,1|2,0,0]=4 2044 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100011218378_100009814033 [0,1,0,0,0,1|2,0,0]=4 2045 B10R0.82 CCC(O)CSC(C)C(=O)N 62a_100000702099_100011218378 [0,1,0,0,0,1|2,0,0]=4 2046 B10R0.82 CCC(O)CSC(C)C(=O)N 62a_100011218378_100000702099 [0,1,0,0,0,1|2,0,0]=4 2047 B10R0.82 CCC(O)CSC(F)C(=O)N 62a_100009813875_100011218378 [0,1,0,0,0,1|2,0,0]=4 2048 B10R0.82 CCC(O)CSC(F)C(=O)N 62a_100011218378_100009813875 [0,1,0,0,0,1|2,0,0]=4 2049 B10R0.82 CCC(O)CSC(F)C(=O)[O-] 62a_100011218378_100020610796 [0,1,0,0,0,1|1,0,1]=4 2050 B10R0.82 CCC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218378 [0,1,0,0,0,1|1,0,1]=4 2051 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,1,0,0,0,1|1,0,0]=3 2052 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 2230a_100000119354_100009816398 [0,1,0,0,0,1|2,0,0]=4 2053 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 34a_100000119354_100009816398 [0,1,0,0,0,1|2,0,0]=4 2054 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,1,0,0,0,1|2,0,0]=4 2055 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,1,0,0,0,1|2,0,0]=4 2056 B10R0.82 CC[C@H](C)COC(C)C(=O)N 7a_100009816381_100000702099 [0,1,0,0,0,1|2,0,0]=4 2057 B10R0.82 CC[C@H](C)COC(F)C(=O)N 7a_100009816381_100009813875 [0,1,0,0,0,1|2,0,0]=4 2058 B10R0.82 CC[C@H](C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100009816398 [0,1,0,0,0,1|1,0,1]=4 2059 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 34a_100000731257_100009816398 [0,1,0,0,0,1|2,0,0]=4 2060 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 7a_100000731257_100009816398 [0,1,0,0,0,1|2,0,0]=4 2061 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009814033_100009816398 [0,1,0,0,0,1|2,0,0]=4 2062 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009816398_100009814033 [0,1,0,0,0,1|2,0,0]=4 2063 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100000702099_100009816398 [0,1,0,0,0,1|2,0,0]=4 2064 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100009816398_100000702099 [0,1,0,0,0,1|2,0,0]=4 2065 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009813875_100009816398 [0,1,0,0,0,1|2,0,0]=4 2066 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009816398_100009813875 [0,1,0,0,0,1|2,0,0]=4 2067 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100009816398_100020610796 [0,1,0,0,0,1|1,0,1]=4 2068 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100020610796_100009816398 [0,1,0,0,0,1|1,0,1]=4 2069 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,1,0,0,0,1|2,0,0]=4 2070 B10R0.82 COC(C)NCC(F)C(=O)O 269956a_100000084737_100009879195 [0,1,0,0,0,1|2,0,0]=4 2071 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,1,0,0,0,1|2,0,0]=4 2072 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,1,0,0,0,1|2,0,0]=4 2073 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,1,0,0,0,1|2,0,0]=4 2074 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,1,0,0,0,1|2,0,0]=4 2075 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,1,0,0,0,1|2,0,0]=4 2076 B10R0.98 C=C(C)COC[C@H](N)C(C)C 34a_100011830312_100000748629 [0,1,0,0,0,1|2,0,0]=4 2077 B10R0.98 C=C(F)COC[C@H](N)C(C)C 34a_100011830312_100009893438 [0,1,0,0,0,1|2,0,0]=4 2078 B10R0.98 CC(=O)CCOC(C)C(C)C 7a_100000748068_100000053229 [0,1,0,0,0,1|2,0,0]=4 2079 B10R0.98 CC(C)C(=O)CNCC(=O)O 269956a_100016091260_100000753385 [0,1,0,0,0,1|1,0,1]=4 2080 B10R0.98 CC(C)C(C)NCCC(=O)N 2230a_100000211541_100000744528 [0,1,0,0,0,1|2,0,0]=4 2081 B10R0.98 CC(C)C(C)OCCC(=O)N 7a_100000748068_100000744528 [0,1,0,0,0,1|2,0,0]=4 2082 B10R0.98 CC(C)C(O)CNCC(=O)N 2230a_100000759067_100000747473 [0,1,0,0,0,1|2,0,0]=4 2083 B10R0.98 CC(C)C(O)CNCC(=O)N 34a_100000759067_100000187820 [0,1,0,0,0,1|2,0,0]=4 2084 B10R0.98 CC(C)C(O)CNCC(=O)[O-] 34a_100000759067_100020667443 [0,1,0,0,0,1|1,0,1]=4 2085 B10R0.98 CC(C)N(C)CCCC(=O)O 269956a_100000719178_100000210206 [0,1,0,0,0,1|2,0,0]=4 2086 B10R0.98 CC(C)[C@@H](N)COCC(=O)N 34a_100011830312_100000187820 [0,1,0,0,0,1|1,0,0]=3 2087 B10R0.98 CC(C)[C@@H](N)COCC(=O)[O-] 34a_100011830312_100020667443 [0,1,0,0,0,1|0,0,1]=3 2088 B10R0.98 CC(C)[C@@H](N)COC[C@@H](C)O 34a_100011830312_100009817552 [0,1,0,0,0,1|1,0,1]=4 2089 B10R0.98 CC(C)[C@@H](N)COC[N+](=O)[O-] 34a_100011830312_100000761209 [0,1,0,0,0,1|1,0,1]=4 2090 B10R0.98 CC(O)COC[C@H](N)C(C)C 34a_100011830312_100011218427 [0,1,0,0,0,1|1,0,1]=4 2091 B10R0.84 CC(C)C(CN)OCC(=O)N 34a_100000759067_100000187820 [0,2,0,0,0,0|2,0,0]=4 2092 B10R0.84 CC(C)C(CN)OCC(=O)[O-] 34a_100000759067_100020667443 [0,2,0,0,0,0|1,0,1]=4 2093 B10R0.84 CCC(CNC(=O)C)N(C)C 11a_100000738386_100015343762 [0,2,0,0,0,0|2,0,0]=4 2094 B10R0.84 CCC(CNC(=O)C)N(C)C 1626a_100000738386_100015343762 [0,2,0,0,0,0|2,0,0]=4 2095 B10R0.84 CCC(CNC(=O)C)N(C)C 240690a_100000738386_100015343762 [0,2,0,0,0,0|2,0,0]=4 2096 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000711301_100000750255 [0,2,0,0,0,0|2,0,0]=4 2097 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000733705_100000747473 [0,2,0,0,0,0|2,0,0]=4 2098 B10R0.84 CCC(NCC(=O)N)C(=O)N 34a_100000733705_100000187820 [0,2,0,0,0,0|2,0,0]=4 2099 B10R0.84 CCC(NCC(=O)O)C(=O)N 269956a_100016091260_200011216081 [0,2,0,0,0,0|1,0,0]=3 2100 B10R0.84 CCC(NCC(=O)[O-])C(=O)N 34a_100000733705_100020667443 [0,2,0,0,0,0|1,0,1]=4 2101 B10R0.84 CCC(OCC(=O)C)C(=O)N 34a_100000211253_100000750255 [0,2,0,0,0,0|2,0,0]=4 2102 B10R0.84 CCC(SCC(=O)N)C(=O)N 62a_100000747473_100000750255 [0,2,0,0,0,0|2,0,0]=4 2103 B10R0.84 CCC(SCC(=O)N)C(=O)N 62a_100000750255_100000747473 [0,2,0,0,0,0|2,0,0]=4 2104 B10R0.84 CCC(SCC(=O)[O-])C(=O)N 62a_100000750255_100020667443 [0,2,0,0,0,0|1,0,1]=4 2105 B10R0.84 CCC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000750255 [0,2,0,0,0,0|1,0,1]=4 2106 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200000210301 [0,2,0,0,0,0|2,0,0]=4 2107 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200000210301 [0,2,0,0,0,0|2,0,0]=4 2108 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200025704644 [0,2,0,0,0,0|2,0,0]=4 2109 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200025704644 [0,2,0,0,0,0|2,0,0]=4 2110 B10R0.115 CCC(C)(C)NCC(=O)OC 2230a_100000211385_100000747449 [0,2,0,0,0,0|2,0,0]=4 2111 B10R0.115 CCC(C)(C)OCC(=O)OC 7a_100000210230_100000747449 [0,2,0,0,0,0|2,0,0]=4 2112 B10R0.115 CCC(C)(C)SCC(=O)OC 62a_100000032637_100000747449 [0,2,0,0,0,0|2,0,0]=4 2113 B10R0.115 CCC(C)(C)SCC(=O)OC 62a_100000747449_100000032637 [0,2,0,0,0,0|2,0,0]=4 2114 B10R0.115 CCS(=O)(=O)CCC(=O)CO 1458a_100000210174_100000756660 [0,2,0,0,0,0|2,0,0]=4 2115 B10R0.32 CC(CCO)N(C)CC(=O)O 269956a_100000746989_100009893172 [0,2,0,0,0,0|2,0,0]=4 2116 B10R0.32 CCCC(C)N(C)CC(=O)O 269956a_100000746989_100000766640 [0,2,0,0,0,0|2,0,0]=4 2117 B10R0.32 COCC(C)N(C)CC(=O)O 269956a_100000746989_100000765312 [0,2,0,0,0,0|2,0,0]=4 2118 B10R0.46 CCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210202 [0,2,0,0,0,0|1,0,1]=4 2119 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100000211351_100000758301 [0,2,0,0,0,0|1,0,1]=4 2120 B10R0.46 CCC(C)C(=O)CC(=O)OC 1458a_100011192722_100000747449 [0,2,0,0,0,0|1,0,1]=4 2121 B10R0.46 CCC(C)CN(C)C(=O)CO 240690a_100000753921_100000210174 [0,2,0,0,0,0|2,0,0]=4 2122 B10R0.46 CCC(C)CN(C)C(=O)CO 527a_100000753921_100000210174 [0,2,0,0,0,0|2,0,0]=4 2123 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000198492_100000758301 [0,2,0,0,0,0|2,0,0]=4 2124 B10R0.46 CCC(C)N(C)CC(=O)OC 2230a_100000741768_100000747449 [0,2,0,0,0,0|2,0,0]=4 2125 B10R0.46 CCC(C)N(C)CC(=O)OC 269982a_100000741768_100000747449 [0,2,0,0,0,0|2,0,0]=4 2126 B10R0.46 CCC(C)NC(C)C(=O)OC 2230a_100000209981_100000211248 [0,2,0,0,0,0|2,0,0]=4 2127 B10R0.46 CCC(C)OC(C)C(=O)OC 34a_100011215400_100011215416 [0,2,0,0,0,0|2,0,0]=4 2128 B10R0.46 CCC(C)OC(C)C(=O)OC 7a_100000210228_100000211248 [0,2,0,0,0,0|2,0,0]=4 2129 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000211248_100000758301 [0,2,0,0,0,0|2,0,0]=4 2130 B10R0.46 CCC(C)SC(C)C(=O)OC 62a_100000758301_100000211248 [0,2,0,0,0,0|2,0,0]=4 2131 B10R0.46 CCC(O)C(=O)CC(=O)OC 1458a_100011196387_100000747449 [0,2,0,0,0,0|1,0,1]=4 2132 B10R0.46 CCN(C)C(C)CC(=O)OC 2230a_100000225621_100009817358 [0,2,0,0,0,0|2,0,0]=4 2133 B10R0.46 CCN(C)C(C)CC(=O)OC 269982a_100000225621_100009817358 [0,2,0,0,0,0|2,0,0]=4 2134 B10R0.46 CCN(C)CC(C)C(=O)OC 269982a_100000225621_100000698445 [0,2,0,0,0,0|2,0,0]=4 2135 B10R0.54 CCC(C)N(CC)CC(=O)O 269956a_100000746405_100000758301 [0,2,0,0,0,0|2,0,0]=4 2136 B10R0.54 CC[C@H](C)[C@@H](CC(=O)O)NC 269956a_100020625877_200000210301 [0,2,0,0,0,0|1,0,0]=3 2137 B10R0.54 CC[C@H](C)[C@@H](CC(=O)O)N[13CH3] 269956a_100020625877_200025704644 [0,2,0,0,0,0|1,0,0]=3 2138 B10R0.56 CCC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000758301 [0,2,0,0,0,0|2,0,0]=4 2139 B10R0.63 CCC(C)(C)N(C)CC(=O)O 269956a_100000746989_100000032637 [0,2,0,0,0,0|2,0,0]=4 2140 B10R0.144 CCC(CC)N(C)CC(=O)O 269956a_100000746989_100000210505 [0,2,0,0,0,0|2,0,0]=4 2141 B10R0.45 C#CC(CC)OCC(=O)OC 34a_100000758843_100000747449 [0,2,0,0,0,0|2,0,0]=4 2142 B10R0.45 C#CC(CC)OCC(=O)OC 7a_100000758843_100000747449 [0,2,0,0,0,0|2,0,0]=4 2143 B10R0.45 C=CC(CC)OCC(=O)OC 34a_100000766422_100000747449 [0,2,0,0,0,0|2,0,0]=4 2144 B10R0.45 C=CC(CC)OCC(=O)OC 7a_100000766422_100000747449 [0,2,0,0,0,0|2,0,0]=4 2145 B10R0.45 CCC(CC)CNC(=O)CO 240690a_100102946423_100000210174 [0,2,0,0,0,0|2,0,0]=4 2146 B10R0.45 CCC(CC)CNC(=O)CO 527a_100102946423_100000210174 [0,2,0,0,0,0|2,0,0]=4 2147 B10R0.45 CCC(CC)NCC(=O)OC 2230a_100000199018_100000747449 [0,2,0,0,0,0|2,0,0]=4 2148 B10R0.45 CCC(CC)OCC(=O)OC 7a_100000688536_100000747449 [0,2,0,0,0,0|2,0,0]=4 2149 B10R0.45 CCC(CC)SCC(=O)OC 62a_100000210505_100000747449 [0,2,0,0,0,0|2,0,0]=4 2150 B10R0.45 CCC(CC)SCC(=O)OC 62a_100000747449_100000210505 [0,2,0,0,0,0|2,0,0]=4 2151 B10R0.45 CCC(CNC(=O)CO)OC 240690a_100000731041_100000210174 [0,2,0,0,0,0|2,0,0]=4 2152 B10R0.45 CCC(CNC(=O)CO)OC 527a_100000731041_100000210174 [0,2,0,0,0,0|2,0,0]=4 2153 B10R0.45 CCN(CC)CCC(=O)CO 1458a_100000210174_100000700428 [0,2,0,0,0,0|2,0,0]=4 2154 B10R0.45 CCN(CC)CCC(=O)OC 2230a_100000229097_100000210202 [0,2,0,0,0,0|2,0,0]=4 2155 B10R0.45 CCN(CC)CCC(=O)OC 2230a_100000724800_100000204255 [0,2,0,0,0,0|2,0,0]=4 2156 B10R0.45 CCN(CC)CCC(=O)OC 269956a_100000042499_100000204255 [0,2,0,0,0,0|2,0,0]=4 2157 B10R0.45 CCN(CC)CCC(=O)OC 269982a_100000229097_100000204670 [0,2,0,0,0,0|2,0,0]=4 2158 B10R0.45 CCN(CC)CCC(=O)OC 269982a_100000724800_100000204255 [0,2,0,0,0,0|2,0,0]=4 2159 B10R0.45 CCN(CF)CCC(=O)OC 269982a_100000229097_100015361967 [0,2,0,0,0,0|2,0,0]=4 2160 B10R0.45 CC[C@@H](CO)NCC(=O)OC 2230a_100000709445_100000747449 [0,2,0,0,0,0|2,0,0]=4 2161 B10R0.45 COC(=O)COC(CN)CN 34a_100000031598_100000747449 [0,2,0,0,0,0|2,0,0]=4 2162 B10R0.45 COC(CCC(=O)CO)OC 1458a_100000210174_100000139399 [0,2,0,0,0,0|2,0,0]=4 2163 B10R0.108 C#CCC(=O)CCC(C)CC 1458a_100000701222_100000184674 [0,2,0,0,0,0|2,0,0]=4 2164 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [0,2,0,0,0,0|2,0,0]=4 2165 B10R0.108 C=COC(=O)CNC(C)CC 2230a_100000209981_100000036128 [0,2,0,0,0,0|2,0,0]=4 2166 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000036128_100000758301 [0,2,0,0,0,0|2,0,0]=4 2167 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000758301_100000036128 [0,2,0,0,0,0|2,0,0]=4 2168 B10R0.108 CCC(C)CCC(=O)CC#N 1458a_100000701222_100011214920 [0,2,0,0,0,0|2,0,0]=4 2169 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,2,0,0,0,0|2,0,0]=4 2170 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,2,0,0,0,0|1,0,0]=3 2171 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [0,2,0,0,0,0|2,0,0]=4 2172 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [0,2,0,0,0,0|2,0,0]=4 2173 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [0,2,0,0,0,0|2,0,0]=4 2174 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [0,2,0,0,0,0|2,0,0]=4 2175 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [0,2,0,0,0,0|2,0,0]=4 2176 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [0,2,0,0,0,0|2,0,0]=4 2177 B10R0.108 CCC(C)NCC(=O)NCO 2230a_100000209981_100000185155 [0,2,0,0,0,0|2,0,0]=4 2178 B10R0.108 CCC(C)OCC(=O)NCO 7a_100000210228_100000185155 [0,2,0,0,0,0|2,0,0]=4 2179 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000185155_100000758301 [0,2,0,0,0,0|2,0,0]=4 2180 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000758301_100000185155 [0,2,0,0,0,0|2,0,0]=4 2181 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [0,2,0,0,0,0|2,0,0]=4 2182 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [0,2,0,0,0,0|2,0,0]=4 2183 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [0,2,0,0,0,0|2,0,0]=4 2184 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [0,2,0,0,0,0|2,0,0]=4 2185 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [0,2,0,0,0,0|2,0,0]=4 2186 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,2,0,0,0,0|1,0,1]=4 2187 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,2,0,0,0,0|2,0,0]=4 2188 B10R0.108 CCCC(C)NCC(=O)OC 2230a_100000741246_100000747449 [0,2,0,0,0,0|2,0,0]=4 2189 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [0,2,0,0,0,0|2,0,0]=4 2190 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [0,2,0,0,0,0|2,0,0]=4 2191 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000747449_100000766640 [0,2,0,0,0,0|2,0,0]=4 2192 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000766640_100000747449 [0,2,0,0,0,0|2,0,0]=4 2193 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [0,2,0,0,0,0|2,0,0]=4 2194 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [0,2,0,0,0,0|2,0,0]=4 2195 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [0,2,0,0,0,0|2,0,0]=4 2196 B10R0.108 CCN(C)CCC(=O)CCO 1458a_100000755305_100000211926 [0,2,0,0,0,0|2,0,0]=4 2197 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 2198 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 2199 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 2200 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 2201 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 2202 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 2203 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,2,0,0,0,0|2,0,0]=4 2204 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,2,0,0,0,0|1,0,1]=4 2205 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,2,0,0,0,0|2,0,0]=4 2206 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,2,0,0,0,0|2,0,0]=4 2207 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,2,0,0,0,0|2,0,0]=4 2208 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,2,0,0,0,0|2,0,0]=4 2209 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,2,0,0,0,0|2,0,0]=4 2210 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,2,0,0,0,0|2,0,0]=4 2211 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,2,0,0,0,0|2,0,0]=4 2212 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,2,0,0,0,0|2,0,0]=4 2213 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,2,0,0,0,0|2,0,0]=4 2214 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,2,0,0,0,0|2,0,0]=4 2215 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,2,0,0,0,0|2,0,0]=4 2216 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,2,0,0,0,0|2,0,0]=4 2217 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,2,0,0,0,0|2,0,0]=4 2218 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,2,0,0,0,0|2,0,0]=4 2219 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,2,0,0,0,0|2,0,0]=4 2220 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,2,0,0,0,0|2,0,0]=4 2221 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,2,0,0,0,0|2,0,0]=4 2222 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,2,0,0,0,0|2,0,0]=4 2223 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,2,0,0,0,0|2,0,0]=4 2224 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,2,0,0,0,0|2,0,0]=4 2225 B10R0.108 CCS(=O)CCC(=O)CCO 1458a_100011387550_100000211926 [0,2,0,0,0,0|2,0,0]=4 2226 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [0,2,0,0,0,0|1,0,1]=4 2227 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [0,2,0,0,0,0|1,0,1]=4 2228 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [0,2,0,0,0,0|1,0,1]=4 2229 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [0,2,0,0,0,0|1,0,1]=4 2230 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,2,0,0,0,0|1,0,1]=4 2231 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [0,2,0,0,0,0|1,0,1]=4 2232 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [0,2,0,0,0,0|1,0,1]=4 2233 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [0,2,0,0,0,0|1,0,1]=4 2234 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [0,2,0,0,0,0|1,0,1]=4 2235 B10R0.108 COC(=O)CCN(C)CCF 269982a_100025711912_100011217306 [0,2,0,0,0,0|2,0,0]=4 2236 B10R0.108 COC(=O)CCN(C)CCO 2230a_100000210263_100000204255 [0,2,0,0,0,0|2,0,0]=4 2237 B10R0.108 COC(=O)CCN(C)CCO 269982a_100000210263_100000204255 [0,2,0,0,0,0|2,0,0]=4 2238 B10R0.108 COC(=O)CCN(C)CCO 269982a_100025711912_100000211926 [0,2,0,0,0,0|2,0,0]=4 2239 B10R0.108 COC(=O)CCN(C)CSC 269982a_100025711912_100011218213 [0,2,0,0,0,0|2,0,0]=4 2240 B10R0.108 COC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747449 [0,2,0,0,0,0|2,0,0]=4 2241 B10R0.108 COC(=O)CN[C@H](C)CCO 34a_100000706166_100000747449 [0,2,0,0,0,0|2,0,0]=4 2242 B10R0.108 COC(=O)COC(C)CCBr 34a_100012276601_100000747449 [0,2,0,0,0,0|2,0,0]=4 2243 B10R0.108 COC(=O)CSC(C)CCO 62a_100000747449_100009893172 [0,2,0,0,0,0|2,0,0]=4 2244 B10R0.108 COC(=O)CSC(C)CCO 62a_100009893172_100000747449 [0,2,0,0,0,0|2,0,0]=4 2245 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [0,2,0,0,0,0|1,0,1]=4 2246 B10R0.108 COCC(C)SCC(=O)OC 62a_100000747449_100000765312 [0,2,0,0,0,0|2,0,0]=4 2247 B10R0.108 COCC(C)SCC(=O)OC 62a_100000765312_100000747449 [0,2,0,0,0,0|2,0,0]=4 2248 B10R0.108 COCC(O)CNC(=O)CO 240690a_100000756049_100000210174 [0,2,0,0,0,0|2,0,0]=4 2249 B10R0.108 COCC(O)CNC(=O)CO 527a_100000756049_100000210174 [0,2,0,0,0,0|2,0,0]=4 2250 B10R0.108 COCN(C)CCC(=O)OC 269982a_100025711912_100000766300 [0,2,0,0,0,0|2,0,0]=4 2251 B10R0.108 COC[C@@H](C)NCC(=O)OC 2230a_100000764878_100000747449 [0,2,0,0,0,0|2,0,0]=4 2252 B10R0.108 COC[C@@H](C)OCC(=O)OC 34a_100011934205_100000747449 [0,2,0,0,0,0|2,0,0]=4 2253 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,2,0,0,0,0|2,0,0]=4 2254 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,2,0,0,0,0|2,0,0]=4 2255 B10R0.26 COCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000765312 [0,2,0,0,0,0|2,0,0]=4 2256 B10R0.53 C=C[C@H](NC(C)CC)C(=O)O 269956a_100016992060_100000758301 [0,2,0,0,0,0|2,0,0]=4 2257 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [0,2,0,0,0,0|2,0,0]=4 2258 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [0,2,0,0,0,0|2,0,0]=4 2259 B10R0.67 CCC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000032637 [0,2,0,0,0,0|2,0,0]=4 2260 B10R0.72 CCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100000210505 [0,2,0,0,0,0|2,0,0]=4 2261 B10R0.27 CCCC(CC)NCC(=O)O 269956a_100016091260_100011219200 [0,2,0,0,0,0|2,0,0]=4 2262 B10R0.27 COCC(CN)OCC(=O)N 34a_100000756049_100000187820 [0,2,0,0,0,0|2,0,0]=4 2263 B10R0.27 COCC(CN)OCC(=O)[O-] 34a_100000756049_100020667443 [0,2,0,0,0,0|1,0,1]=4 2264 B10R0.121 CCC(C)(CC)NCC(=O)O 269956a_100016091260_100009817345 [0,2,0,0,0,0|2,0,0]=4 2265 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,2,0,0,0,0|2,0,0]=4 2266 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,2,0,0,0,0|2,0,0]=4 2267 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,2,0,0,0,0|2,0,0]=4 2268 B10R0.96 CC(C)CC(C)NCC(=O)O 269956a_100016091260_100000731052 [0,2,0,0,0,0|2,0,0]=4 2269 B10R0.96 CC(CN(C)C)NCC(=O)O 269956a_100016091260_100020606517 [0,2,0,0,0,0|2,0,0]=4 2270 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|2,0,0]=4 2271 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|2,0,0]=4 2272 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [1,0,0,1,0,0|2,0,0]=4 2273 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [1,0,0,1,0,0|2,0,0]=4 2274 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [1,0,0,1,0,0|2,0,0]=4 2275 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [1,0,0,1,0,0|2,0,0]=4 2276 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [1,0,0,1,0,0|2,0,0]=4 2277 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [1,0,0,1,0,0|2,0,0]=4 2278 B8R1.41 CC1(CC1)NCC=O 2230a_100000757604_200015260668 [1,0,0,1,0,0|2,0,0]=4 2279 B8R1.41 CC1(CC1)OCC=O 7a_100011725673_200015260668 [1,0,0,1,0,0|2,0,0]=4 2280 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|2,0,0]=4 2281 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|2,0,0]=4 2282 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|2,0,0]=4 2283 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|2,0,0]=4 2284 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|2,0,0]=4 2285 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|2,0,0]=4 2286 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|2,0,0]=4 2287 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|2,0,0]=4 2288 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|2,0,0]=4 2289 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|1,0,0]=3 2290 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|1,0,0]=3 2291 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|2,0,0]=4 2292 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|2,0,0]=4 2293 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|2,0,0]=4 2294 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|2,0,0]=4 2295 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|2,0,0]=4 2296 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|2,0,0]=4 2297 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|1,0,0]=3 2298 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|2,0,0]=4 2299 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|2,0,0]=4 2300 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|2,0,0]=4 2301 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 2302 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 2303 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|2,0,0]=4 2304 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|1,0,0]=3 2305 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|1,0,0]=3 2306 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,0]=3 2307 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,0]=3 2308 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|2,0,0]=4 2309 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|2,0,0]=4 2310 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|2,0,0]=4 2311 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 2312 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 2313 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 2314 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|2,0,0]=4 2315 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [1,0,0,1,0,0|2,0,0]=4 2316 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [1,0,0,1,0,0|1,0,1]=4 2317 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,0]=3 2318 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|2,0,0]=4 2319 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|1,0,0]=3 2320 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|1,0,0]=3 2321 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|2,0,0]=4 2322 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|2,0,0]=4 2323 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 2324 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 2325 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 2326 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|2,0,0]=4 2327 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [1,0,0,1,0,0|2,0,0]=4 2328 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [1,0,0,1,0,0|2,0,0]=4 2329 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|1,0,0]=3 2330 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [1,0,0,1,0,0|1,0,1]=4 2331 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [1,0,0,1,0,0|1,0,1]=4 2332 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|1,0,0]=3 2333 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,0]=3 2334 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,0]=3 2335 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [1,0,0,1,0,0|2,0,0]=4 2336 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [1,0,0,1,0,0|2,0,0]=4 2337 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [1,0,0,1,0,0|2,0,0]=4 2338 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [1,0,0,1,0,0|2,0,0]=4 2339 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [1,0,0,1,0,0|2,0,0]=4 2340 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [1,0,0,1,0,0|2,0,0]=4 2341 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [1,0,0,1,0,0|2,0,0]=4 2342 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [1,0,0,1,0,0|2,0,0]=4 2343 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,0,0,1,1,0|2,0,0]=4 2344 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,0,0,1,1,0|2,0,0]=4 2345 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,0,0,1,0,1|2,0,0]=4 2346 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,0,0,1,0,1|2,0,0]=4 2347 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,0,0,1,0,1|2,0,0]=4 2348 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,0,0,1,0,1|2,0,0]=4 2349 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [0,0,0,1,0,1|2,0,0]=4 2350 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [0,0,0,1,0,1|2,0,0]=4 2351 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [0,0,0,1,0,1|2,0,0]=4 2352 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [0,0,0,1,0,1|2,0,0]=4 2353 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,0,0,1,0,1|2,0,0]=4 2354 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,0,0,1,0,1|2,0,0]=4 2355 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,0,0,1,0,1|2,0,0]=4 2356 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,0,0,1,0,1|2,0,0]=4 2357 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,0,0,1,0,1|2,0,0]=4 2358 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,0,0,1,0,1|2,0,0]=4 2359 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,0,0,1,0,1|2,0,0]=4 2360 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,0,0,1,0,1|1,0,1]=4 2361 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,0,0,1,0,1|2,0,0]=4 2362 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,0,0,1,0,1|2,0,0]=4 2363 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,0,0,1,0,1|2,0,0]=4 2364 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,0,0,1,0,1|2,0,0]=4 2365 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,0,0,1,0,1|2,0,0]=4 2366 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 2230a_100016987628_100000747473 [0,0,0,1,0,1|2,0,0]=4 2367 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 269982a_100016987628_100000187820 [0,0,0,1,0,1|2,0,0]=4 2368 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 34a_100016987628_100000187820 [0,0,0,1,0,1|2,0,0]=4 2369 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 269982a_100016987628_100020667443 [0,0,0,1,0,1|1,0,1]=4 2370 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 34a_100016987628_100020667443 [0,0,0,1,0,1|1,0,1]=4 2371 B10R1.54 NC(=O)CN1CCC(C1)O 2230a_100011215560_100000747473 [0,0,0,1,0,1|2,0,0]=4 2372 B10R1.54 NC(=O)CN1CCC(C1)O 269982a_100011215560_100000187820 [0,0,0,1,0,1|2,0,0]=4 2373 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000747473 [0,0,0,1,0,1|2,0,0]=4 2374 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000187820 [0,0,0,1,0,1|2,0,0]=4 2375 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 34a_100015203821_100000187820 [0,0,0,1,0,1|2,0,0]=4 2376 B10R1.54 O=C([O-])CN1CCC(C1)O 269982a_100011215560_100020667443 [0,0,0,1,0,1|1,0,1]=4 2377 B10R1.54 O=C([O-])CN1CC[C@@H](C1)F 269982a_100015203821_100020667443 [0,0,0,1,0,1|1,0,1]=4 2378 B10R1.54 O=C([O-])CN1CC[C@@H](C1)F 34a_100015203821_100020667443 [0,0,0,1,0,1|1,0,1]=4 2379 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,0,0,1,0,1|2,0,0]=4 2380 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [0,0,0,1,0,1|2,0,0]=4 2381 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [0,0,0,1,0,1|2,0,0]=4 2382 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [0,0,0,1,0,1|1,0,1]=4 2383 B10R1.80 C[C@H]1[C@H](CN1CC(=O)N)O 2230a_206633788156_100000747473 [0,0,0,1,0,1|2,0,0]=4 2384 B10R1.80 C[C@H]1[C@H](CN1CC(=O)N)O 269982a_206633788156_100000187820 [0,0,0,1,0,1|2,0,0]=4 2385 B10R1.80 C[C@H]1[C@H](CN1CC(=O)[O-])O 269982a_206633788156_100020667443 [0,0,0,1,0,1|1,0,1]=4 2386 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,0,0,1,0,1|2,0,0]=4 2387 B10R1.117 CC1CCN1CCC(=O)N 269982a_100000755817_100000744528 [0,0,0,1,0,1|2,0,0]=4 2388 B10R1.117 CC1CCN1CCC(=O)N 34a_100000755817_100000731001 [0,0,0,1,0,1|2,0,0]=4 2389 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [0,0,0,1,0,1|1,0,1]=4 2390 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,0,0,1,0,1|2,0,0]=4 2391 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,0,0,1,0,1|2,0,0]=4 2392 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,0,0,1,0,1|2,0,0]=4 2393 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,0,0,1,0,1|2,0,0]=4 2394 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [0,0,0,1,0,1|2,0,0]=4 2395 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [0,0,0,1,0,1|2,0,0]=4 2396 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [0,0,0,1,0,1|2,0,0]=4 2397 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [0,0,0,1,0,1|2,0,0]=4 2398 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [0,0,0,1,0,1|2,0,0]=4 2399 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [0,0,0,1,0,1|2,0,0]=4 2400 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [0,0,0,1,0,1|2,0,0]=4 2401 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [0,0,0,1,0,1|2,0,0]=4 2402 B10R1.127 NC(=O)CNCC1CCO1 2230a_100000711301_100000103362 [0,0,0,1,0,1|2,0,0]=4 2403 B10R1.127 NC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747473 [0,0,0,1,0,1|2,0,0]=4 2404 B10R1.127 NC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000187820 [0,0,0,1,0,1|2,0,0]=4 2405 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [0,0,0,1,0,1|2,0,0]=4 2406 B10R1.127 NC(=O)COCC1CCO1 34a_100000039022_100000187820 [0,0,0,1,0,1|2,0,0]=4 2407 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [0,0,0,1,0,1|2,0,0]=4 2408 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [0,0,0,1,0,1|2,0,0]=4 2409 B10R1.127 NC(=O)CSCC1CCO1 62a_100000103362_100000747473 [0,0,0,1,0,1|2,0,0]=4 2410 B10R1.127 NC(=O)CSCC1CCO1 62a_100000747473_100000103362 [0,0,0,1,0,1|2,0,0]=4 2411 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [0,0,0,1,0,1|1,0,0]=3 2412 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [0,0,0,1,0,1|1,0,0]=3 2413 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [0,0,0,1,0,1|2,0,0]=4 2414 B10R1.127 O=C(O)CONC1CCC1 269956a_100000106656_100000749161 [0,0,0,1,0,1|2,0,0]=4 2415 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [0,0,0,1,0,1|1,0,1]=4 2416 B10R1.127 O=C([O-])CNC[C@@H]1CCO1 34a_100020831831_100020667443 [0,0,0,1,0,1|1,0,1]=4 2417 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [0,0,0,1,0,1|1,0,1]=4 2418 B10R1.127 O=C([O-])COCC1CCO1 34a_100000039022_100020667443 [0,0,0,1,0,1|1,0,1]=4 2419 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [0,0,0,1,0,1|1,0,1]=4 2420 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [0,0,0,1,0,1|1,0,1]=4 2421 B10R1.127 O=C([O-])CSCC1CCO1 62a_100000103362_100020667443 [0,0,0,1,0,1|1,0,1]=4 2422 B10R1.127 O=C([O-])CSCC1CCO1 62a_100020667443_100000103362 [0,0,0,1,0,1|1,0,1]=4 2423 B10R1.150 CCC(C)SC1CC(=O)C1 62a_100009894365_100000758301 [0,0,0,1,0,1|2,0,0]=4 2424 B10R1.168 CCC1CN(C1)CC(=O)N 2230a_100015205115_100000747473 [0,0,0,1,0,1|2,0,0]=4 2425 B10R1.168 CCC1CN(C1)CC(=O)N 269982a_100015205115_100000187820 [0,0,0,1,0,1|2,0,0]=4 2426 B10R1.168 CCC1CN(C1)CC(=O)[O-] 269982a_100015205115_100020667443 [0,0,0,1,0,1|1,0,1]=4 2427 B10R1.168 CCN1CC(C1)CC(=O)O 269956a_100016993960_100000210202 [0,0,0,1,0,1|2,0,0]=4 2428 B10R1.350 CC(=O)CCOC1(CC1)C 7a_100011725673_100000053229 [0,0,0,1,0,1|2,0,0]=4 2429 B10R1.350 CC1(CC1)CNCC(=O)N 2230a_100000766693_100000747473 [0,0,0,1,0,1|2,0,0]=4 2430 B10R1.350 CC1(CC1)COCC(=O)N 7a_100000698024_100000187820 [0,0,0,1,0,1|2,0,0]=4 2431 B10R1.350 CC1(CC1)NCCC(=O)N 2230a_100000757604_100000744528 [0,0,0,1,0,1|2,0,0]=4 2432 B10R1.350 CC1(CC1)OCCC(=O)N 7a_100011725673_100000744528 [0,0,0,1,0,1|2,0,0]=4 2433 B10R1.350 CC1(CO1)CNCC(=O)O 269956a_100016091260_100000760498 [0,0,0,1,0,1|2,0,0]=4 2434 B10R1.350 NC(=O)CNCC1(CC1)O 2230a_100011936951_100000747473 [0,0,0,1,0,1|2,0,0]=4 2435 B10R1.350 NC(=O)COCC1(CC1)F 34a_200000703853_100000187820 [0,0,0,1,0,1|2,0,0]=4 2436 B10R1.350 NC(=O)COCC1(CC1)F 7a_200000703853_100000187820 [0,0,0,1,0,1|2,0,0]=4 2437 B10R1.350 O=C([O-])COCC1(CC1)F 34a_200000703853_100020667443 [0,0,0,1,0,1|1,0,1]=4 2438 B10R1.359 CC(=O)C1CCC(C1)(F)F 1458a_100000696201_200000210301 [0,1,0,1,0,0|2,0,0]=4 2439 B10R1.359 [13CH3]C(=O)C1CCC(C1)(F)F 1458a_100000696201_200025704644 [0,1,0,1,0,0|2,0,0]=4 2440 B10R1.26 CNC1CCC(CC1)(C)O 270004a_106832991635_100012184276 [0,1,0,1,0,0|1,0,1]=4 2441 B10R1.26 CNC1CCS(=O)(=O)CC1 2230a_100000739226_200000210301 [0,1,0,1,0,0|1,0,1]=4 2442 B10R1.26 CNC1CCS(=O)(=O)CC1 270004a_106832991635_100000015219 [0,1,0,1,0,0|1,0,1]=4 2443 B10R1.26 CNC1CCS(=O)(=O)CC1 34a_100000739226_200000210301 [0,1,0,1,0,0|1,0,1]=4 2444 B10R1.26 CN[C@H]1CC[C@](CC1)(C)O 2230a_202125554758_200000210301 [0,1,0,1,0,0|1,0,1]=4 2445 B10R1.26 CN[C@H]1CC[C@](CC1)(C)O 34a_202125554758_200000210301 [0,1,0,1,0,0|1,0,1]=4 2446 B10R1.26 C[C@@]1(CC[C@@H](CC1)N[13CH3])O 2230a_202125554758_200025704644 [0,1,0,1,0,0|1,0,1]=4 2447 B10R1.26 C[C@@]1(CC[C@@H](CC1)N[13CH3])O 34a_202125554758_200025704644 [0,1,0,1,0,0|1,0,1]=4 2448 B10R1.26 [13CH3]NC1CCS(=O)(=O)CC1 2230a_100000739226_200025704644 [0,1,0,1,0,0|1,0,1]=4 2449 B10R1.26 [13CH3]NC1CCS(=O)(=O)CC1 34a_100000739226_200025704644 [0,1,0,1,0,0|1,0,1]=4 2450 B10R1.152 CC1(CC1)CNC(=O)CO 240690a_100000766693_100000210174 [0,1,0,1,0,0|2,0,0]=4 2451 B10R1.152 CC1(CC1)CNC(=O)CO 527a_100000766693_100000210174 [0,1,0,1,0,0|2,0,0]=4 2452 B10R1.152 COC(=O)CNC1(CC1)C 2230a_100000757604_100000747449 [0,1,0,1,0,0|2,0,0]=4 2453 B10R1.152 COC(=O)COC1(CC1)C 7a_100011725673_100000747449 [0,1,0,1,0,0|2,0,0]=4 2454 B10R1.152 O=C(CO)NCC1(CC1)O 240690a_100011936951_100000210174 [0,1,0,1,0,0|2,0,0]=4 2455 B10R1.152 O=C(CO)NCC1(CC1)O 527a_100011936951_100000210174 [0,1,0,1,0,0|2,0,0]=4 2456 B10R1.266 CN(CC(=O)O)C1CCC1 269956a_100000746989_100000749161 [0,1,0,1,0,0|2,0,0]=4 2457 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [0,1,0,1,0,0|2,0,0]=4 2458 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [0,1,0,1,0,0|2,0,0]=4 2459 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [0,1,0,1,0,0|2,0,0]=4 2460 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [0,1,0,1,0,0|2,0,0]=4 2461 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [0,1,0,1,0,0|2,0,0]=4 2462 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,1,0,1,0,0|2,0,0]=4 2463 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,1,0,1,0,0|2,0,0]=4 2464 B10R1.151 O=C(CO)NC[C@@H]1CCO1 240690a_100020831831_100000210174 [0,1,0,1,0,0|2,0,0]=4 2465 B10R1.151 O=C(CO)NC[C@@H]1CCO1 527a_100020831831_100000210174 [0,1,0,1,0,0|2,0,0]=4 2466 B10R1.169 CCC1CN(C1)C(=O)CO 240690a_100015205115_100000210174 [0,1,0,1,0,0|2,0,0]=4 2467 B10R1.169 CCC1CN(C1)C(=O)CO 527a_100015205115_100000210174 [0,1,0,1,0,0|2,0,0]=4 2468 B10R1.169 CCN1CC(C1)C(=O)OC 269982a_100015188540_100000204670 [0,1,0,1,0,0|2,0,0]=4 2469 B10R1.169 CNC1CC(C1)C(=O)OC 34a_100102657272_100009897219 [0,1,0,1,0,0|2,0,0]=4 2470 B10R1.169 CNC1CC(C1)C(=O)OC 7a_106832991635_100009897219 [0,1,0,1,0,0|2,0,0]=4 2471 B10R1.169 COC(=O)C1CC(C1)OC 34a_100138415774_100009897219 [0,1,0,1,0,0|2,0,0]=4 2472 B10R1.169 COC(=O)C1CC(C1)OC 7a_100000076263_200000210301 [0,1,0,1,0,0|2,0,0]=4 2473 B10R1.169 COC(=O)C1CC(C1)O[13CH3] 7a_100000076263_200025704644 [0,1,0,1,0,0|2,0,0]=4 2474 B10R1.169 COC(=O)C1CC(C1)SC 62a_100009897219_200000210301 [0,1,0,1,0,0|2,0,0]=4 2475 B10R1.169 COC(=O)C1CC(C1)SC 62a_200000210301_100009897219 [0,1,0,1,0,0|2,0,0]=4 2476 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_100009897219_200025704644 [0,1,0,1,0,0|2,0,0]=4 2477 B10R1.169 COC(=O)C1CC(C1)S[13CH3] 62a_200025704644_100009897219 [0,1,0,1,0,0|2,0,0]=4 2478 B10R1.412 C[C@H]1[C@H](CN1C(=O)CO)O 240690a_206633788156_100000210174 [0,1,0,1,0,0|2,0,0]=4 2479 B10R1.412 C[C@H]1[C@H](CN1C(=O)CO)O 527a_206633788156_100000210174 [0,1,0,1,0,0|2,0,0]=4 2480 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [0,1,0,1,0,0|2,0,0]=4 2481 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [0,1,0,1,0,0|2,0,0]=4 2482 B10R1.473 CO[C@@]1(CC[C@H](CC1)N)C 34a_202125554758_200000210301 [0,1,0,1,0,0|1,0,1]=4 2483 B10R1.473 C[C@@]1(CC[C@@H](CC1)N)O[13CH3] 34a_202125554758_200025704644 [0,1,0,1,0,0|1,0,1]=4 2484 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,1,0,0|2,0,0]=4 2485 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,1,0,0|2,0,0]=4 2486 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,1,0,0|2,0,0]=4 2487 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,1,0,0|2,0,0]=4 2488 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,1,0,1,0,0|2,0,0]=4 2489 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,1,0,1,0,0|2,0,0]=4 2490 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,1,0,1,0,0|2,0,0]=4 2491 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,1,0,1,0,0|2,0,0]=4 2492 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,1,0,1,0,0|2,0,0]=4 2493 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,1,0,1,0,0|2,0,0]=4 2494 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,1,0,1,0,0|2,0,0]=4 2495 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [0,1,0,1,0,0|2,0,0]=4 2496 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,1,0,1,0,0|2,0,0]=4 2497 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,1,0,1,0,0|2,0,0]=4 2498 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,1,0,1,0,0|2,0,0]=4 2499 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [0,1,0,1,0,0|2,0,0]=4 2500 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [0,1,0,1,0,0|2,0,0]=4 2501 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,1,0,1,0,0|2,0,0]=4 2502 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,1,0,1,0,0|2,0,0]=4 2503 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [0,1,0,1,0,0|2,0,0]=4 2504 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,1,0,1,0,0|2,0,0]=4 2505 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,1,0,1,0,0|2,0,0]=4 2506 B10R1.59 CC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_200000210301 [0,1,0,1,0,0|2,0,0]=4 2507 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200000210301 [0,1,0,1,0,0|2,0,0]=4 2508 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200000210301 [0,1,0,1,0,0|2,0,0]=4 2509 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100015191551_200025704644 [0,1,0,1,0,0|2,0,0]=4 2510 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200000210301 [0,1,0,1,0,0|2,0,0]=4 2511 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200000210301 [0,1,0,1,0,0|2,0,0]=4 2512 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200000210301 [0,1,0,1,0,0|2,0,0]=4 2513 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [0,1,0,1,0,0|1,0,0]=3 2514 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,1,0,1,0,0|1,0,0]=3 2515 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200025704644 [0,1,0,1,0,0|2,0,0]=4 2516 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200025704644 [0,1,0,1,0,0|2,0,0]=4 2517 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200025704644 [0,1,0,1,0,0|2,0,0]=4 2518 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200025704644 [0,1,0,1,0,0|2,0,0]=4 2519 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200025704644 [0,1,0,1,0,0|2,0,0]=4 2520 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [0,1,0,1,0,0|1,0,0]=3 2521 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,1,0,1,0,0|1,0,0]=3 2522 B10R1.93 CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210202 [0,1,0,1,0,0|1,0,0]=3 2523 B10R1.93 COCC1CC(C1)C(=O)C 1458a_100000138301_200000210301 [0,1,0,1,0,0|2,0,0]=4 2524 B10R1.93 COCC1CC(C1)C(=O)[13CH3] 1458a_100000138301_200025704644 [0,1,0,1,0,0|2,0,0]=4 2525 B10R1.93 O=C(O)[C@H]1C[C@H](C1)NCF 269956a_100000738708_100015361967 [0,1,0,1,0,0|2,0,0]=4 2526 B10R2.638 CC(=O)C1CC12CCC2 1458a_100000687150_200000210301 [0,0,0,2,0,0|2,0,0]=4 2527 B10R2.638 [13CH3]C(=O)C1CC12CCC2 1458a_100000687150_200025704644 [0,0,0,2,0,0|2,0,0]=4 2528 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,0,0,1,0|2,0,0]=4 2529 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,0,0,1,0|2,0,0]=4 2530 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,0,0,1,0|2,0,0]=4 2531 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,0,0,1,0|2,0,0]=4 2532 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,0,0,1,0|2,0,0]=4 2533 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,0,0,1,0|2,0,0]=4 2534 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,0,0,1,0|2,0,0]=4 2535 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,0,0,1,0|2,0,0]=4 2536 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,0,0,2,0|2,0,0]=4 2537 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,0,0,2,0|2,0,0]=4 2538 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,0,0,2,0|2,0,0]=4 2539 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,0,0,2,0|2,0,0]=4 2540 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,0,0,2,0|2,0,0]=4 2541 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,0,0,2,0|2,0,0]=4 2542 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,0,0,2,0|2,0,0]=4 2543 B10R0.55 CCC(=O)CNOCC(=O)O 269956a_100000106656_100000747405 [0,0,0,0,0,2|1,0,1]=4 2544 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [0,0,0,0,0,2|2,0,0]=4 2545 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [0,0,0,0,0,2|2,0,0]=4 2546 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [0,0,0,0,0,2|2,0,0]=4 2547 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [0,0,0,0,0,2|1,0,0]=3 2548 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,0,0,0,0,2|2,0,0]=4 2549 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,0,0,0,0,2|2,0,0]=4 2550 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [0,0,0,0,0,2|2,0,0]=4 2551 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [0,0,0,0,0,2|2,0,0]=4 2552 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,0,0,0,0,2|2,0,0]=4 2553 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,0,0,0,0,2|2,0,0]=4 2554 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [0,0,0,0,0,2|2,0,0]=4 2555 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [0,0,0,0,0,2|2,0,0]=4 2556 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,0,0,0,0,2|2,0,0]=4 2557 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,0,0,0,0,2|2,0,0]=4 2558 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [0,0,0,0,0,2|2,0,0]=4 2559 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,0,0,0,0,2|2,0,0]=4 2560 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,0,0,0,0,2|2,0,0]=4 2561 B10R0.55 CCC(C)NCCNC(=O)N 2230a_100000209981_200000034859 [0,0,0,0,0,2|2,0,0]=4 2562 B10R0.55 CCC(C)NCCNC(=O)N 34a_100020590234_100011215416 [0,0,0,0,0,2|2,0,0]=4 2563 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,0,0,0,0,2|2,0,0]=4 2564 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,0,0,0,0,2|2,0,0]=4 2565 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,0,0,0,0,2|2,0,0]=4 2566 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [0,0,0,0,0,2|2,0,0]=4 2567 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,0,0,0,0,2|2,0,0]=4 2568 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,0,0,0,0,2|2,0,0]=4 2569 B10R0.55 CCC(C)OCCNC(=O)N 34a_100000181757_100011215416 [0,0,0,0,0,2|2,0,0]=4 2570 B10R0.55 CCC(C)OCCNC(=O)N 7a_100000210228_200000034859 [0,0,0,0,0,2|2,0,0]=4 2571 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,0,0,0,0,2|2,0,0]=4 2572 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [0,0,0,0,0,2|2,0,0]=4 2573 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [0,0,0,0,0,2|2,0,0]=4 2574 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,0,0,0,0,2|2,0,0]=4 2575 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,0,0,0,0,2|2,0,0]=4 2576 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [0,0,0,0,0,2|2,0,0]=4 2577 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [0,0,0,0,0,2|2,0,0]=4 2578 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,0,0,0,0,2|2,0,0]=4 2579 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,0,0,0,0,2|2,0,0]=4 2580 B10R0.55 CCC(C)SCCNC(=O)N 62a_100000758301_200000034859 [0,0,0,0,0,2|2,0,0]=4 2581 B10R0.55 CCC(C)SCCNC(=O)N 62a_200000034859_100000758301 [0,0,0,0,0,2|2,0,0]=4 2582 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,0,0,0,0,2|2,0,0]=4 2583 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,0,0,0,0,2|2,0,0]=4 2584 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [0,0,0,0,0,2|2,0,0]=4 2585 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [0,0,0,0,0,2|2,0,0]=4 2586 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [0,0,0,0,0,2|2,0,0]=4 2587 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [0,0,0,0,0,2|1,0,0]=3 2588 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,0,0,0,0,2|2,0,0]=4 2589 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,0,0,0,0,2|2,0,0]=4 2590 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [0,0,0,0,0,2|2,0,0]=4 2591 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [0,0,0,0,0,2|2,0,0]=4 2592 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,0,0,0,0,2|2,0,0]=4 2593 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,0,0,0,0,2|2,0,0]=4 2594 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [0,0,0,0,0,2|2,0,0]=4 2595 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [0,0,0,0,0,2|2,0,0]=4 2596 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,0,0,0,0,2|2,0,0]=4 2597 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,0,0,0,0,2|2,0,0]=4 2598 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [0,0,0,0,0,2|1,0,0]=3 2599 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,0,0,0,0,2|2,0,0]=4 2600 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,0,0,0,0,2|2,0,0]=4 2601 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,0,0,0,0,2|2,0,0]=4 2602 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [0,0,0,0,0,2|2,0,0]=4 2603 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [0,0,0,0,0,2|2,0,0]=4 2604 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [0,0,0,0,0,2|2,0,0]=4 2605 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,0,0,0,0,2|2,0,0]=4 2606 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,0,0,0,0,2|2,0,0]=4 2607 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [0,0,0,0,0,2|2,0,0]=4 2608 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [0,0,0,0,0,2|2,0,0]=4 2609 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,0,0,0,0,2|2,0,0]=4 2610 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,0,0,0,0,2|2,0,0]=4 2611 B10R0.55 C[C@@H](CO)CNOCC(=O)O 269956a_100000106656_100000059175 [0,0,0,0,0,2|2,0,0]=4 2612 B10R0.55 O=C(O)CONCC(O)CO 269956a_100000106656_100011219619 [0,0,0,0,0,2|2,0,0]=4 2613 B10R0.55 O=C(O)CONC[C@@H](O)CF 269956a_100000106656_100015614560 [0,0,0,0,0,2|2,0,0]=4 2614 B10R0.55 O=C(O)CONC[C@@H](O)CO 269956a_100000106656_100009815848 [0,0,0,0,0,2|2,0,0]=4