0 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.7 CC(=O)NN=C(C)C(C)C 4a_100000189765_100000211110 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.7 CC(=O)NN=C(C)C(C)O 4a_100000189765_100000212229 [0,0,0,0,0,0|3,1,0]=4 4 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.7 CC(C)C(=O)NCC(=O)N 11a_100000711301_100000210198 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.7 CC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210198 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.7 CC(C)C(=O)NCC(=O)N 527a_100000711301_100000210198 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.7 CC(F)C(=O)NCC(=O)N 11a_100000711301_100000062450 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.7 CC(F)C(=O)NCC(=O)N 240690a_100000711301_100000062450 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.7 CC(F)C(=O)NCC(=O)N 527a_100000711301_100000062450 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.7 C[C@@H](O)C(=O)NCC(=O)N 240690a_100000711301_100000717761 [0,0,0,0,0,0|1,1,2]=4 13 B9R0.7 C[C@H](O)C(=O)NCC(=O)N 240690a_100000711301_217856618621 [0,0,0,0,0,0|1,1,2]=4 14 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [1,0,0,0,0,0|1,0,2]=4 17 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [1,0,0,0,0,0|1,0,2]=4 18 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [1,0,0,0,0,0|3,0,0]=4 24 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,0,0,0,0,0|1,0,2]=4 25 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,0,0,0,0,0|0,1,2]=4 27 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,0,0,0,0,0|0,1,2]=4 28 B10R0.57 CN[C@@H](C)C(=O)NCC(=O)O 269956a_200011416764_200000210301 [0,1,0,0,0,0|1,0,2]=4 29 B10R0.57 CSC(C)C(=NNC(=O)C)C 4a_100000189765_200011218923 [0,1,0,0,0,0|3,0,0]=4 30 B10R0.57 CSC(C)C(=O)NCC(=O)N 11a_100000711301_100000149566 [0,1,0,0,0,0|1,0,2]=4 31 B10R0.57 CSC(C)C(=O)NCC(=O)N 240690a_100000711301_100000149566 [0,1,0,0,0,0|1,0,2]=4 32 B10R0.57 CSC(C)C(=O)NCC(=O)N 527a_100000711301_100000149566 [0,1,0,0,0,0|1,0,2]=4 33 B10R0.57 C[C@H](N[13CH3])C(=O)NCC(=O)O 269956a_200011416764_200025704644 [0,1,0,0,0,0|1,0,2]=4 34 B10R0.82 CC(C)C(=O)OCC(=O)CO 1458a_100000210174_100000139345 [0,1,0,0,0,0|2,0,1]=4 35 B10R0.82 COC(=O)CCC(=O)C(C)C 1458a_100000187943_100000210206 [0,1,0,0,0,0|2,0,1]=4 36 B10R0.82 COC(=O)CNC(=O)C(C)C 188690a_100000185156_100000210198 [0,1,0,0,0,0|1,0,2]=4 37 B10R0.82 COC(=O)CNC(=O)C(C)F 188690a_100000185156_100000062450 [0,1,0,0,0,0|1,0,2]=4 38 B10R0.82 COC(=O)CNC(=O)[C@@H](C)O 188690a_100000185156_100000717761 [0,1,0,0,0,0|0,1,2]=4 39 B10R0.82 COC(=O)CNC(=O)[C@H](C)O 188690a_100000185156_217856618621 [0,1,0,0,0,0|0,1,2]=4 40 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,0,0,0,1,0|2,0,1]=4 41 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,0,0,0,1,0|2,0,1]=4 42 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,0,0,0,1,0|2,0,1]=4 43 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,0,0,0,1,0|1,0,2]=4 44 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,0,0,0,1,0|3,0,0]=4 45 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,0,0,0,1,0|2,0,1]=4 46 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [0,0,0,0,1,0|1,0,2]=4 47 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,0,0,0,1,0|1,1,1]=4 48 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,0,0,0,1,0|0,1,2]=4 49 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,0,0,0,1,0|1,1,1]=4 50 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,0,0,0,1,0|0,1,2]=4 51 B10R0.98 CC(C)C(=O)CNCC(=O)O 269956a_100016091260_100000753385 [0,0,0,0,0,1|1,0,2]=4 52 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|0,0,2]=4 57 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [2,0,0,0,0,0|2,0,0]=4 58 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [1,1,0,0,0,0|0,0,2]=4 60 B9R0.43 CCC(=NNC(=O)C)CO 4a_100000189765_100000725409 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [1,1,0,0,0,0|0,0,2]=4 62 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [1,1,0,0,0,0|0,0,2]=4 63 B11R0.120 COC(=O)CNC(=O)C(C)SC 188690a_100000185156_100000149566 [0,2,0,0,0,0|0,0,2]=4 64 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [1,0,0,1,0,0|0,0,2]=4 65 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,0,0,0,1,0|1,0,1]=4 66 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,0,0,0,1,0|1,0,1]=4 67 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,0,0,0,1,0|1,0,1]=4 68 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,0,0,0,1,0|0,0,2]=4 69 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,0,0,0,1,0|1,0,1]=4 70 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,0,0,0,1,0|1,0,1]=4 71 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,0,0,0,1,0|1,0,1]=4 72 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,0,0,0,1,0|2,0,0]=4 73 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,0,0,0,1,0|2,0,0]=4 74 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,0,0,0,1,0|2,0,0]=4