0 B12R0.69 C#CCC(=O)C(C)CC(=O)OCC 1458a_100011220946_100009817359 [0,0,0,0,0,0|2,0,2]=4 1 B12R0.69 C=CCC(=O)C(C)CC(=O)OCC 1458a_100000210193_100009817359 [0,0,0,0,0,0|2,0,2]=4 2 B12R0.69 CC#CC(=O)C(C)CC(=O)OCC 1458a_100000763181_100009817359 [0,0,0,0,0,0|2,0,1]=3 3 B12R0.69 CC/C=C(\C)/C(=O)CC(=O)OCC 1458a_100016988807_100000188475 [0,0,0,0,0,0|2,0,2]=4 4 B12R0.69 CC=CC(=O)C(C)CC(=O)OCC 1458a_100000210699_100009817359 [0,0,0,0,0,0|2,0,1]=3 5 B12R0.69 CC=CC(=O)N(C)CC(=O)OCC 11a_100000220588_100000210699 [0,0,0,0,0,0|3,0,1]=4 6 B12R0.69 CC=CC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000210699 [0,0,0,0,0,0|3,0,1]=4 7 B12R0.69 CC=CC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000210699 [0,0,0,0,0,0|3,0,1]=4 8 B12R0.69 CC=CC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000210699 [0,0,0,0,0,0|3,0,1]=4 9 B12R0.69 CCCC(=O)C(C)CC(=O)OCC 1458a_100000211992_100009817359 [0,0,0,0,0,0|2,0,0]=2 10 B12R0.69 CCCC(=O)CC(=O)C(=O)NCC 1458a_200011297158_100000747444 [0,0,0,0,0,0|2,0,2]=4 11 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 11a_100000741943_100000211992 [0,0,0,0,0,0|4,0,0]=4 12 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 1626a_100000741943_100000211992 [0,0,0,0,0,0|4,0,0]=4 13 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 240690a_100000741943_100000211992 [0,0,0,0,0,0|4,0,0]=4 14 B12R0.69 CCCC(=O)N(C)CC(=O)NCC 527a_100000741943_100000211992 [0,0,0,0,0,0|4,0,0]=4 15 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000211992 [0,0,0,0,0,0|3,0,0]=3 16 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000211992 [0,0,0,0,0,0|3,0,0]=3 17 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000211992 [0,0,0,0,0,0|3,0,0]=3 18 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000211992 [0,0,0,0,0,0|3,0,0]=3 19 B12R0.69 CCCC(=O)NC(C)C(=O)CCC 1458a_100000205598_100000210303 [0,0,0,0,0,0|4,0,0]=4 20 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 11a_100000736553_100000211992 [0,0,0,0,0,0|4,0,0]=4 21 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 11a_100015525214_100000205598 [0,0,0,0,0,0|4,0,0]=4 22 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 1626a_100000736553_100000211992 [0,0,0,0,0,0|4,0,0]=4 23 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 240690a_100000736553_100000211992 [0,0,0,0,0,0|4,0,0]=4 24 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 240690a_100015525214_100000205598 [0,0,0,0,0,0|4,0,0]=4 25 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 527a_100000736553_100000211992 [0,0,0,0,0,0|4,0,0]=4 26 B12R0.69 CCCC(=O)NC(C)C(=O)NCC 527a_100015525214_100000205598 [0,0,0,0,0,0|4,0,0]=4 27 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 11a_100103168634_100000211992 [0,0,0,0,0,0|3,1,0]=4 28 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 1626a_100103168634_100000211992 [0,0,0,0,0,0|3,1,0]=4 29 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 240690a_100103168634_100000211992 [0,0,0,0,0,0|3,1,0]=4 30 B12R0.69 CCCC(=O)N[C@@H](C)C(=O)SCC 527a_100103168634_100000211992 [0,0,0,0,0,0|3,1,0]=4 31 B12R0.69 CCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000211992 [0,0,0,0,0,0|3,0,0]=3 32 B12R0.69 CCCN(C)C(C)CC(=O)OCC 2230a_100000747261_100009817359 [0,0,0,0,0,0|4,0,0]=4 33 B12R0.69 CCCN(C)C(C)CC(=O)OCC 269982a_100000747261_100009817359 [0,0,0,0,0,0|4,0,0]=4 34 B12R0.69 CCNC(=O)C(=O)CC(=O)OCC 1458a_200011297158_100000188475 [0,0,0,0,0,0|1,0,2]=3 35 B12R0.69 CCNC(=O)CC(=O)C(=O)NCC 1458a_200011297158_100000183381 [0,0,0,0,0,0|2,0,2]=4 36 B12R0.69 CCNC(=O)CN(C)C(=O)NCC 2708a_100015525214_100000741943 [0,0,0,0,0,0|4,0,0]=4 37 B12R0.69 CCNC(=O)CN(C)C(=O)NCC 273464a_100015525214_100000741943 [0,0,0,0,0,0|4,0,0]=4 38 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 2708a_100015525214_100000736553 [0,0,0,0,0,0|4,0,0]=4 39 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 273464a_100000736553_100015525214 [0,0,0,0,0,0|4,0,0]=4 40 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 512a_100000736553_100015525214 [0,0,0,0,0,0|4,0,0]=4 41 B12R0.69 CCNC(=O)NC(C)C(=O)NCC 512a_100015525214_100000736553 [0,0,0,0,0,0|4,0,0]=4 42 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 2708a_100015525214_100103168634 [0,0,0,0,0,0|3,1,0]=4 43 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 2708a_100103168634_100015525214 [0,0,0,0,0,0|3,1,0]=4 44 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 273464a_100015525214_100103168634 [0,0,0,0,0,0|3,1,0]=4 45 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 273464a_100103168634_100015525214 [0,0,0,0,0,0|3,1,0]=4 46 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 512a_100015525214_100103168634 [0,0,0,0,0,0|3,1,0]=4 47 B12R0.69 CCNC(=O)N[C@@H](C)C(=O)SCC 512a_100103168634_100015525214 [0,0,0,0,0,0|3,1,0]=4 48 B12R0.69 CCOC(=O)CC(=O)C(C)OCC 1458a_100000739345_100000188475 [0,0,0,0,0,0|1,0,3]=4 49 B12R0.69 CCOC(=O)CC(C)C(=O)C=CBr 1458a_100016273825_100009817359 [0,0,0,0,0,0|3,0,1]=4 50 B12R0.69 CCOC(=O)CC(C)C(=O)C=CCl 1458a_200016279998_100009817359 [0,0,0,0,0,0|3,0,1]=4 51 B12R0.69 CCOC(=O)CC(C)C(=O)C=CI 1458a_100016256311_100009817359 [0,0,0,0,0,0|3,0,1]=4 52 B12R0.69 CCOC(=O)CC(C)C(=O)CC#N 1458a_100051588842_100009817359 [0,0,0,0,0,0|3,0,1]=4 53 B12R0.69 CCOC(=O)CC(C)C(=O)CCO 1458a_100011216618_100009817359 [0,0,0,0,0,0|3,0,0]=3 54 B12R0.69 CCOC(=O)CC(C)C(=O)COC 1458a_100000210968_100009817359 [0,0,0,0,0,0|3,0,0]=3 55 B12R0.69 CCOC(=O)CC(C)C(=O)CSC 1458a_100000184570_100009817359 [0,0,0,0,0,0|3,0,0]=3 56 B12R0.69 CCOC(=O)CN(C)C(=O)CCO 240690a_100000220588_100011216618 [0,0,0,0,0,0|4,0,0]=4 57 B12R0.69 CCOC(=O)CN(C)C(=O)CNC 2230a_106832991635_100000754419 [0,0,0,0,0,0|4,0,0]=4 58 B12R0.69 CCOC(=O)CN(C)C(=O)CNC 34a_100102657272_100000754419 [0,0,0,0,0,0|4,0,0]=4 59 B12R0.69 CCOC(=O)CN(C)C(=O)CNC 7a_106832991635_100000754419 [0,0,0,0,0,0|4,0,0]=4 60 B12R0.69 CCOC(=O)CN(C)C(=O)COC 11a_100000220588_100000210968 [0,0,0,0,0,0|4,0,0]=4 61 B12R0.69 CCOC(=O)CN(C)C(=O)COC 1626a_100000220588_100000210968 [0,0,0,0,0,0|4,0,0]=4 62 B12R0.69 CCOC(=O)CN(C)C(=O)COC 240690a_100000220588_100000210968 [0,0,0,0,0,0|4,0,0]=4 63 B12R0.69 CCOC(=O)CN(C)C(=O)COC 34a_100138415774_100000754419 [0,0,0,0,0,0|4,0,0]=4 64 B12R0.69 CCOC(=O)CN(C)C(=O)COC 527a_100000220588_100000210968 [0,0,0,0,0,0|4,0,0]=4 65 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 11a_100000220588_100000184570 [0,0,0,0,0,0|4,0,0]=4 66 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 1626a_100000220588_100000184570 [0,0,0,0,0,0|4,0,0]=4 67 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 240690a_100000220588_100000184570 [0,0,0,0,0,0|4,0,0]=4 68 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 527a_100000220588_100000184570 [0,0,0,0,0,0|4,0,0]=4 69 B12R0.69 CCOC(=O)CN(C)C(=O)CSC 62a_100000754419_200000210301 [0,0,0,0,0,0|4,0,0]=4 70 B12R0.69 CCOC(=O)CN(C)C(=O)CS[13CH3] 62a_100000754419_200025704644 [0,0,0,0,0,0|4,0,0]=4 71 B12R0.69 CCOC(=O)[C@@H](C)NC(=O)COC 188690a_100016988386_100000210968 [0,0,0,0,0,0|4,0,0]=4 72 B12R0.69 CCOC(=O)[C@@H](C)NC(=O)CSC 188690a_100016988386_100000184570 [0,0,0,0,0,0|4,0,0]=4 73 B11R0.5 CCC=CC(=O)CC(=O)OCC 1458a_100000212282_100000188475 [1,0,0,0,0,0|1,0,2]=4 74 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [1,0,0,0,0,0|3,0,0]=4 75 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [1,0,0,0,0,0|3,0,0]=4 76 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [1,0,0,0,0,0|3,0,0]=4 77 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [1,0,0,0,0,0|0,1,1]=3 78 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [1,0,0,0,0,0|0,1,1]=3 79 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100000688340_100015361967 [1,0,0,0,0,0|1,1,1]=4 80 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100015361967_100000688340 [1,0,0,0,0,0|1,1,1]=4 81 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [1,0,0,0,0,0|0,0,3]=4 82 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [1,0,0,0,0,0|0,0,1]=2 83 B11R0.43 CCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210303 [1,0,0,0,0,0|2,0,0]=3 84 B11R0.43 CCCC(=O)C(C)NC(=O)CC 1458a_100000194823_100000210303 [1,0,0,0,0,0|3,0,0]=4 85 B11R0.43 CCCC(=O)N(C)CC(=O)OC 11a_100000198492_100000211992 [1,0,0,0,0,0|3,0,0]=4 86 B11R0.43 CCCC(=O)N(C)CC(=O)OC 1626a_100000198492_100000211992 [1,0,0,0,0,0|3,0,0]=4 87 B11R0.43 CCCC(=O)N(C)CC(=O)OC 240690a_100000198492_100000211992 [1,0,0,0,0,0|3,0,0]=4 88 B11R0.43 CCCC(=O)N(C)CC(=O)OC 527a_100000198492_100000211992 [1,0,0,0,0,0|3,0,0]=4 89 B11R0.43 CCNC(=O)C(=O)CC(=O)CC 1458a_200011297158_100000747405 [1,0,0,0,0,0|1,0,2]=4 90 B11R0.43 CCNC(=O)C(=O)CC(=O)OC 1458a_200011297158_100000747449 [1,0,0,0,0,0|1,0,2]=4 91 B11R0.43 CCNC(=O)C(C)CC(=O)OC 240690a_100015525214_100000037256 [1,0,0,0,0,0|2,0,0]=3 92 B11R0.43 CCNC(=O)C(C)CC(=O)OC 527a_100015525214_100000037256 [1,0,0,0,0,0|2,0,0]=3 93 B11R0.43 CCNC(=O)C(C)NC(=O)CC 11a_100000736553_100000210414 [1,0,0,0,0,0|3,0,0]=4 94 B11R0.43 CCNC(=O)C(C)NC(=O)CC 11a_100015525214_100000194823 [1,0,0,0,0,0|3,0,0]=4 95 B11R0.43 CCNC(=O)C(C)NC(=O)CC 1626a_100000736553_100000210414 [1,0,0,0,0,0|3,0,0]=4 96 B11R0.43 CCNC(=O)C(C)NC(=O)CC 240690a_100000736553_100000210414 [1,0,0,0,0,0|3,0,0]=4 97 B11R0.43 CCNC(=O)C(C)NC(=O)CC 240690a_100015525214_100000194823 [1,0,0,0,0,0|3,0,0]=4 98 B11R0.43 CCNC(=O)C(C)NC(=O)CC 527a_100000736553_100000210414 [1,0,0,0,0,0|3,0,0]=4 99 B11R0.43 CCNC(=O)C(C)NC(=O)CC 527a_100015525214_100000194823 [1,0,0,0,0,0|3,0,0]=4 100 B11R0.43 CCOC(=O)[C@@H](C)NC(=O)CC 188690a_100016988386_100000210414 [1,0,0,0,0,0|2,0,0]=3 101 B11R0.43 CCOC(=O)[C@@H](C)NC(=O)CO 188690a_100016988386_100000210174 [1,0,0,0,0,0|3,0,0]=4 102 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 11a_100103168634_100000210414 [1,0,0,0,0,0|2,1,0]=4 103 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 1626a_100103168634_100000210414 [1,0,0,0,0,0|2,1,0]=4 104 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 240690a_100103168634_100000210414 [1,0,0,0,0,0|2,1,0]=4 105 B11R0.43 CCSC(=O)[C@H](C)NC(=O)CC 527a_100103168634_100000210414 [1,0,0,0,0,0|2,1,0]=4 106 B11R0.43 CNNC(=O)C(C)CC(=O)OC 22a_100016993582_100000037256 [1,0,0,0,0,0|3,0,0]=4 107 B11R0.43 COC(=O)CC(C)C(=O)CCF 1458a_100000037256_100011217306 [1,0,0,0,0,0|3,0,0]=4 108 B11R0.43 COC(=O)CC(C)C(=O)CCO 1458a_100000037256_100000211926 [1,0,0,0,0,0|3,0,0]=4 109 B11R0.62 C#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000184674 [1,0,0,0,0,0|1,0,2]=4 110 B11R0.62 C=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000210623 [1,0,0,0,0,0|1,0,2]=4 111 B11R0.62 CC=CC(=O)NCC(=O)OCC 188690a_100000741813_100000210699 [1,0,0,0,0,0|2,0,1]=4 112 B11R0.62 CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210303 [1,0,0,0,0,0|1,0,2]=4 113 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [1,0,0,0,0,0|2,0,0]=3 114 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [1,0,0,0,0,0|1,0,0]=2 115 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [1,0,0,0,0,0|2,0,0]=3 116 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [1,0,0,0,0,0|3,0,0]=4 117 B11R0.62 CCCC(=O)NCC(=O)NCC 11a_100016988866_100000211992 [1,0,0,0,0,0|3,0,0]=4 118 B11R0.62 CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211992 [1,0,0,0,0,0|3,0,0]=4 119 B11R0.62 CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211992 [1,0,0,0,0,0|3,0,0]=4 120 B11R0.62 CCCC(=O)NCC(=O)NCC 527a_100016988866_100000211992 [1,0,0,0,0,0|3,0,0]=4 121 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [1,0,0,0,0,0|2,0,0]=3 122 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [1,0,0,0,0,0|3,0,0]=4 123 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [1,0,0,0,0,0|3,0,0]=4 124 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [1,0,0,0,0,0|3,0,0]=4 125 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [1,0,0,0,0,0|3,0,0]=4 126 B11R0.62 CCNC(=O)C=CC(=O)OCC 240690a_100015525214_100000210415 [1,0,0,0,0,0|1,0,2]=4 127 B11R0.62 CCNC(=O)CCC(=O)CCF 1458a_100000199579_100011217306 [1,0,0,0,0,0|3,0,0]=4 128 B11R0.62 CCNC(=O)CCC(=O)CCO 1458a_100000199579_100000211926 [1,0,0,0,0,0|3,0,0]=4 129 B11R0.62 CCNC(=O)CCC(=O)NCC 11a_100015525214_100000199579 [1,0,0,0,0,0|2,0,0]=3 130 B11R0.62 CCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199579 [1,0,0,0,0,0|2,0,0]=3 131 B11R0.62 CCNC(=O)CCC(=O)NNC 22a_100016993582_100000199579 [1,0,0,0,0,0|3,0,0]=4 132 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [1,0,0,0,0,0|1,0,0]=2 133 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [1,0,0,0,0,0|1,0,0]=2 134 B11R0.62 CCNC(=O)CNC(=O)NCC 2708a_100015525214_100016988866 [1,0,0,0,0,0|3,0,0]=4 135 B11R0.62 CCNC(=O)CNC(=O)NCC 2708a_100016988866_100015525214 [1,0,0,0,0,0|3,0,0]=4 136 B11R0.62 CCNC(=O)CNC(=O)NCC 273464a_100015525214_100016988866 [1,0,0,0,0,0|3,0,0]=4 137 B11R0.62 CCNC(=O)CNC(=O)NCC 273464a_100016988866_100015525214 [1,0,0,0,0,0|3,0,0]=4 138 B11R0.62 CCNC(=O)CNC(=O)NCC 512a_100015525214_100016988866 [1,0,0,0,0,0|3,0,0]=4 139 B11R0.62 CCNC(=O)CNC(=O)NCC 512a_100016988866_100015525214 [1,0,0,0,0,0|3,0,0]=4 140 B11R0.62 CCNC(=O)CNC(=O)OCC 11a_100015525214_100000190774 [1,0,0,0,0,0|2,0,0]=3 141 B11R0.62 CCNC(=O)CNC(=O)OCC 240690a_100015525214_100000190774 [1,0,0,0,0,0|2,0,0]=3 142 B11R0.62 CCNC(=O)CNC(=O)OCC 527a_100015525214_100000190774 [1,0,0,0,0,0|2,0,0]=3 143 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [1,0,0,0,0,0|2,0,1]=4 144 B11R0.62 CCOC(=O)CCC(=O)CC#N 1458a_100000183558_100011214920 [1,0,0,0,0,0|2,0,1]=4 145 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [1,0,0,0,0,0|2,0,0]=3 146 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [1,0,0,0,0,0|2,0,0]=3 147 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [1,0,0,0,0,0|1,0,1]=3 148 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [1,0,0,0,0,0|1,1,1]=4 149 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [1,0,0,0,0,0|1,1,1]=4 150 B11R0.62 CCOC(=O)CNC(=O)CNC 2230a_106832991635_100011215850 [1,0,0,0,0,0|3,0,0]=4 151 B11R0.62 CCOC(=O)CNC(=O)CNC 34a_100102657272_100011215850 [1,0,0,0,0,0|3,0,0]=4 152 B11R0.62 CCOC(=O)CNC(=O)CNC 7a_106832991635_100011215850 [1,0,0,0,0,0|3,0,0]=4 153 B11R0.62 CCOC(=O)CNC(=O)COC 188690a_100000741813_100000210968 [1,0,0,0,0,0|3,0,0]=4 154 B11R0.62 CCOC(=O)CNC(=O)COC 34a_100138415774_100011215850 [1,0,0,0,0,0|3,0,0]=4 155 B11R0.62 CCOC(=O)CNC(=O)CSC 188690a_100000741813_100000184570 [1,0,0,0,0,0|3,0,0]=4 156 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_100011215850_200000210301 [1,0,0,0,0,0|3,0,0]=4 157 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_200000210301_100011215850 [1,0,0,0,0,0|3,0,0]=4 158 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_100011215850_200025704644 [1,0,0,0,0,0|3,0,0]=4 159 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100011215850 [1,0,0,0,0,0|3,0,0]=4 160 B11R0.62 CCOC(=O)NCC(=O)CCF 1458a_100000190774_100011217306 [1,0,0,0,0,0|3,0,0]=4 161 B11R0.62 CCOC(=O)NCC(=O)CCO 1458a_100000190774_100000211926 [1,0,0,0,0,0|3,0,0]=4 162 B11R0.62 CCOC(=O)NCC(=O)NNC 22a_100016993582_100000190774 [1,0,0,0,0,0|3,0,0]=4 163 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100000739092_100011216346 [1,0,0,0,0,0|2,0,1]=4 164 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100011216346_100000739092 [1,0,0,0,0,0|2,0,1]=4 165 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000739092_100000760018 [1,0,0,0,0,0|2,0,1]=4 166 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000760018_100000739092 [1,0,0,0,0,0|2,0,1]=4 167 B11R0.187 C#CC(=O)C(C)CC(=O)OCC 1458a_100000211873_100009817359 [1,0,0,0,0,0|1,0,2]=4 168 B11R0.187 C=C(CC(=O)OCC)C(=O)NC 1626a_100102657272_200000043866 [1,0,0,0,0,0|2,0,1]=4 169 B11R0.187 C=CC(=O)C(C)CC(=O)OCC 1458a_100000185746_100009817359 [1,0,0,0,0,0|1,0,2]=4 170 B11R0.187 CCCC(=O)NC(C)C(=O)CC 1458a_100000205598_100000210202 [1,0,0,0,0,0|3,0,0]=4 171 B11R0.187 CCCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000211992 [1,0,0,0,0,0|3,0,0]=4 172 B11R0.187 CCNC(=O)CN(C)C(=O)CC 11a_100000741943_100000210414 [1,0,0,0,0,0|3,0,0]=4 173 B11R0.187 CCNC(=O)CN(C)C(=O)CC 1626a_100000741943_100000210414 [1,0,0,0,0,0|3,0,0]=4 174 B11R0.187 CCNC(=O)CN(C)C(=O)CC 240690a_100000741943_100000210414 [1,0,0,0,0,0|3,0,0]=4 175 B11R0.187 CCNC(=O)CN(C)C(=O)CC 527a_100000741943_100000210414 [1,0,0,0,0,0|3,0,0]=4 176 B11R0.187 CCOC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000188475 [1,0,0,0,0,0|1,0,2]=4 177 B11R0.187 CCOC(=O)CC(C)C(=O)CC 1458a_100000210414_100009817359 [1,0,0,0,0,0|1,0,0]=2 178 B11R0.187 CCOC(=O)CC(C)C(=O)CO 1458a_100000210174_100009817359 [1,0,0,0,0,0|2,0,0]=3 179 B11R0.187 CCOC(=O)CC(C)N(C)CC 2230a_100000225621_100009817359 [1,0,0,0,0,0|3,0,0]=4 180 B11R0.187 CCOC(=O)CC(C)N(C)CC 269982a_100000225621_100009817359 [1,0,0,0,0,0|3,0,0]=4 181 B11R0.187 CCOC(=O)CN(C)C(=O)CC 11a_100000220588_100000210414 [1,0,0,0,0,0|2,0,0]=3 182 B11R0.187 CCOC(=O)CN(C)C(=O)CC 1626a_100000220588_100000210414 [1,0,0,0,0,0|2,0,0]=3 183 B11R0.187 CCOC(=O)CN(C)C(=O)CC 240690a_100000220588_100000210414 [1,0,0,0,0,0|2,0,0]=3 184 B11R0.187 CCOC(=O)CN(C)C(=O)CC 527a_100000220588_100000210414 [1,0,0,0,0,0|2,0,0]=3 185 B11R0.187 CCOC(=O)CN(C)C(=O)CO 240690a_100000220588_100000210174 [1,0,0,0,0,0|3,0,0]=4 186 B11R0.187 CCOC(=O)CN(C)C(=O)CO 527a_100000220588_100000210174 [1,0,0,0,0,0|3,0,0]=4 187 B13R0.39 C#CCCC(=O)C(C)CC(=O)OCC 1458a_100000692101_100009817359 [0,1,0,0,0,0|2,0,1]=4 188 B13R0.39 C=C(CC(=O)OCC)C(=O)NCCC 1626a_100020643023_200000043866 [0,1,0,0,0,0|2,0,1]=4 189 B13R0.39 C=C(CC(=O)OCC)C(=O)NCCF 1626a_100000724931_200000043866 [0,1,0,0,0,0|2,0,1]=4 190 B13R0.39 C=CCCC(=O)C(C)CC(=O)OCC 1458a_100000749702_100009817359 [0,1,0,0,0,0|2,0,1]=4 191 B13R0.39 CC=CCC(=O)C(C)CC(=O)OCC 1458a_100121576822_100009817359 [0,1,0,0,0,0|2,0,1]=4 192 B13R0.39 CCC#CC(=O)C(C)CC(=O)OCC 1458a_100011827653_100009817359 [0,1,0,0,0,0|2,0,0]=3 193 B13R0.39 CCC=CC(=O)C(C)CC(=O)OCC 1458a_100000212282_100009817359 [0,1,0,0,0,0|2,0,0]=3 194 B13R0.39 CCC=CC(=O)N(C)CC(=O)OCC 11a_100000220588_100000212282 [0,1,0,0,0,0|3,0,0]=4 195 B13R0.39 CCC=CC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000212282 [0,1,0,0,0,0|3,0,0]=4 196 B13R0.39 CCC=CC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000212282 [0,1,0,0,0,0|3,0,0]=4 197 B13R0.39 CCCCC(=O)C(C)CC(=O)OCC 1458a_100000210183_100009817359 [0,1,0,0,0,0|2,0,0]=3 198 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000210183 [0,1,0,0,0,0|3,0,0]=4 199 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000210183 [0,1,0,0,0,0|3,0,0]=4 200 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000210183 [0,1,0,0,0,0|3,0,0]=4 201 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000210183 [0,1,0,0,0,0|3,0,0]=4 202 B13R0.39 CCCNC(=O)C(=O)CC(=O)OCC 1458a_200011297150_100000188475 [0,1,0,0,0,0|1,0,2]=4 203 B13R0.39 CCNC(=O)CN(C)C(=O)COCC 11a_100000741943_100000211967 [0,1,0,0,0,0|3,0,0]=4 204 B13R0.39 CCNC(=O)CN(C)C(=O)COCC 1626a_100000741943_100000211967 [0,1,0,0,0,0|3,0,0]=4 205 B13R0.39 CCNC(=O)CN(C)C(=O)COCC 240690a_100000741943_100000211967 [0,1,0,0,0,0|3,0,0]=4 206 B13R0.39 CCNC(=O)CN(C)C(=O)COCC 527a_100000741943_100000211967 [0,1,0,0,0,0|3,0,0]=4 207 B13R0.39 CCNCC(=O)N(C)CC(=O)OCC 2230a_100015525214_100000754419 [0,1,0,0,0,0|3,0,0]=4 208 B13R0.39 CCOC(=O)CC(C)C(=O)C#CCO 1458a_100000049017_100009817359 [0,1,0,0,0,0|2,0,1]=4 209 B13R0.39 CCOC(=O)CC(C)C(=O)C=COC 1458a_100016268678_100009817359 [0,1,0,0,0,0|2,0,1]=4 210 B13R0.39 CCOC(=O)CC(C)C(=O)CCC#N 1458a_100011934036_100009817359 [0,1,0,0,0,0|2,0,1]=4 211 B13R0.39 CCOC(=O)CC(C)C(=O)CCOC 1458a_100000749529_100009817359 [0,1,0,0,0,0|2,0,0]=3 212 B13R0.39 CCOC(=O)CC(C)C(=O)CCSC 1458a_100000174002_100009817359 [0,1,0,0,0,0|2,0,0]=3 213 B13R0.39 CCOC(=O)CC(C)C(=O)CSCC 1458a_100000230394_100009817359 [0,1,0,0,0,0|1,1,0]=3 214 B13R0.39 CCOC(=O)CN(C)C(=O)CCOC 11a_100000220588_100000749529 [0,1,0,0,0,0|3,0,0]=4 215 B13R0.39 CCOC(=O)CN(C)C(=O)CCOC 1626a_100000220588_100000749529 [0,1,0,0,0,0|3,0,0]=4 216 B13R0.39 CCOC(=O)CN(C)C(=O)CCOC 240690a_100000220588_100000749529 [0,1,0,0,0,0|3,0,0]=4 217 B13R0.39 CCOC(=O)CN(C)C(=O)CCOC 527a_100000220588_100000749529 [0,1,0,0,0,0|3,0,0]=4 218 B13R0.39 CCOC(=O)CN(C)C(=O)CCSC 11a_100000220588_100000174002 [0,1,0,0,0,0|3,0,0]=4 219 B13R0.39 CCOC(=O)CN(C)C(=O)CCSC 1626a_100000220588_100000174002 [0,1,0,0,0,0|3,0,0]=4 220 B13R0.39 CCOC(=O)CN(C)C(=O)CCSC 240690a_100000220588_100000174002 [0,1,0,0,0,0|3,0,0]=4 221 B13R0.39 CCOC(=O)CN(C)C(=O)CCSC 527a_100000220588_100000174002 [0,1,0,0,0,0|3,0,0]=4 222 B13R0.39 CCOC(=O)CN(C)C(=O)CSCC 11a_100000220588_100000230394 [0,1,0,0,0,0|2,1,0]=4 223 B13R0.39 CCOC(=O)CN(C)C(=O)CSCC 1626a_100000220588_100000230394 [0,1,0,0,0,0|2,1,0]=4 224 B13R0.39 CCOC(=O)CN(C)C(=O)CSCC 240690a_100000220588_100000230394 [0,1,0,0,0,0|2,1,0]=4 225 B13R0.39 CCOC(=O)CN(C)C(=O)CSCC 527a_100000220588_100000230394 [0,1,0,0,0,0|2,1,0]=4 226 B13R0.39 CCOC(=O)CN(C)C(=O)CSCC 62a_100000754419_100000210202 [0,1,0,0,0,0|2,1,0]=4 227 B13R0.39 CCOCC(=O)C(C)CC(=O)OCC 1458a_100000211967_100009817359 [0,1,0,0,0,0|1,0,0]=2 228 B13R0.39 CCOCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000211967 [0,1,0,0,0,0|2,0,0]=3 229 B13R0.39 CCOCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000211967 [0,1,0,0,0,0|2,0,0]=3 230 B13R0.39 CCOCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000211967 [0,1,0,0,0,0|2,0,0]=3 231 B13R0.39 CCOCC(=O)N(C)CC(=O)OCC 34a_100121572206_100000754419 [0,1,0,0,0,0|2,0,0]=3 232 B13R0.39 CCOCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000211967 [0,1,0,0,0,0|2,0,0]=3 233 B13R0.55 C=C(CC(=O)OCC)C(=O)NC(C)C 1626a_100138425928_200000043866 [0,1,0,0,0,0|2,0,1]=4 234 B13R0.55 CCOC(=O)CC(=O)C(=O)NC(C)C 1458a_100011220036_100000188475 [0,1,0,0,0,0|1,0,2]=4 235 B13R0.55 CCOC(=O)CC(C)C(=O)C=C(C)C 1458a_100000211388_100009817359 [0,1,0,0,0,0|2,0,1]=4 236 B13R0.55 CCOC(=O)CC(C)C(=O)C=C(C)Cl 1458a_200042562850_100009817359 [0,1,0,0,0,0|2,0,1]=4 237 B13R0.55 CCOC(=O)CC(C)C(=O)C=C(C)I 1458a_100025716642_100009817359 [0,1,0,0,0,0|2,0,1]=4 238 B13R0.55 CCOC(=O)CC(C)C(=O)CC(C)C 1458a_100000210554_100009817359 [0,1,0,0,0,0|2,0,0]=3 239 B13R0.55 CCOC(=O)CC(C)C(=O)CN(C)C 1458a_100000750896_100009817359 [0,1,0,0,0,0|3,0,0]=4 240 B13R0.55 CCOC(=O)CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100009817359 [0,1,0,0,0,0|2,0,0]=3 241 B13R0.55 CCOC(=O)CC(C)C(=O)C[S+](C)C 1458a_200159257847_100009817359 [0,1,0,0,0,0|3,0,0]=4 242 B13R0.55 CCOC(=O)CN(C)C(=O)CC(C)C 11a_100000220588_100000210554 [0,1,0,0,0,0|3,0,0]=4 243 B13R0.55 CCOC(=O)CN(C)C(=O)CC(C)C 1626a_100000220588_100000210554 [0,1,0,0,0,0|3,0,0]=4 244 B13R0.55 CCOC(=O)CN(C)C(=O)CC(C)C 240690a_100000220588_100000210554 [0,1,0,0,0,0|3,0,0]=4 245 B13R0.55 CCOC(=O)CN(C)C(=O)CC(C)C 527a_100000220588_100000210554 [0,1,0,0,0,0|3,0,0]=4 246 B13R0.55 CCOC(=O)CN(C)C(=O)C[C@@H](C)O 240690a_100000220588_100011933948 [0,1,0,0,0,0|3,0,0]=4 247 B13R0.120 CCCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000210183 [0,1,0,0,0,0|3,0,0]=4 248 B13R0.120 CCCOC(=O)CC(=O)C(=O)NCC 1458a_200011297158_200011215008 [0,1,0,0,0,0|1,0,2]=4 249 B13R0.120 CCNC(=O)C(C)NC(=O)COCC 11a_100000736553_100000211967 [0,1,0,0,0,0|3,0,0]=4 250 B13R0.120 CCNC(=O)C(C)NC(=O)COCC 1626a_100000736553_100000211967 [0,1,0,0,0,0|3,0,0]=4 251 B13R0.120 CCNC(=O)C(C)NC(=O)COCC 240690a_100000736553_100000211967 [0,1,0,0,0,0|3,0,0]=4 252 B13R0.120 CCNC(=O)C(C)NC(=O)COCC 527a_100000736553_100000211967 [0,1,0,0,0,0|3,0,0]=4 253 B13R0.120 CCOC(=O)[C@@H](C)NC(=O)CCOC 188690a_100016988386_100000749529 [0,1,0,0,0,0|3,0,0]=4 254 B13R0.120 CCOC(=O)[C@@H](C)NC(=O)CCSC 188690a_100016988386_100000174002 [0,1,0,0,0,0|3,0,0]=4 255 B13R0.120 CCOC(=O)[C@@H](C)NC(=O)CSCC 188690a_100016988386_100000230394 [0,1,0,0,0,0|2,1,0]=4 256 B13R0.120 CCOCC(=O)N[C@@H](C)C(=O)SCC 11a_100103168634_100000211967 [0,1,0,0,0,0|2,1,0]=4 257 B13R0.120 CCOCC(=O)N[C@@H](C)C(=O)SCC 1626a_100103168634_100000211967 [0,1,0,0,0,0|2,1,0]=4 258 B13R0.120 CCOCC(=O)N[C@@H](C)C(=O)SCC 240690a_100103168634_100000211967 [0,1,0,0,0,0|2,1,0]=4 259 B13R0.120 CCOCC(=O)N[C@@H](C)C(=O)SCC 527a_100103168634_100000211967 [0,1,0,0,0,0|2,1,0]=4 260 B13R0.120 CCOCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000211967 [0,1,0,0,0,0|2,0,0]=3 261 B13R0.225 CC=CC(=O)N[C@H](CO)C(=O)OCC 188690a_100016988294_100000210699 [0,1,0,0,0,0|2,0,1]=4 262 B13R0.225 CCCC(=O)N(CC)CC(=O)OCC 11a_100000220607_100000211992 [0,1,0,0,0,0|3,0,0]=4 263 B13R0.225 CCCC(=O)N(CC)CC(=O)OCC 1626a_100000220607_100000211992 [0,1,0,0,0,0|3,0,0]=4 264 B13R0.225 CCCC(=O)N(CC)CC(=O)OCC 240690a_100000220607_100000211992 [0,1,0,0,0,0|3,0,0]=4 265 B13R0.225 CCCC(=O)N(CC)CC(=O)OCC 527a_100000220607_100000211992 [0,1,0,0,0,0|3,0,0]=4 266 B13R0.225 CCCC(=O)N[C@@H](CC)C(=O)OCC 188690a_100025709693_100000211992 [0,1,0,0,0,0|3,0,0]=4 267 B13R0.225 CCCC(=O)N[C@H](CO)C(=O)OCC 188690a_100016988294_100000211992 [0,1,0,0,0,0|2,0,0]=3 268 B13R0.225 CCOC(=O)C[C@H](OC)C(=O)OCC 7a_100016993805_200000210301 [0,1,0,0,0,0|0,0,0]=1 269 B13R0.225 CCOC(=O)C[C@H](O[13CH3])C(=O)OCC 7a_100016993805_200025704644 [0,1,0,0,0,0|0,0,0]=1 270 B13R0.225 CCOC(=O)[C@@H](CO)NC(=O)COC 188690a_100016988294_100000210968 [0,1,0,0,0,0|3,0,0]=4 271 B13R0.225 CCOC(=O)[C@@H](CO)NC(=O)CSC 188690a_100016988294_100000184570 [0,1,0,0,0,0|3,0,0]=4 272 B13R0.243 CCCC(=O)C(C)OC(=O)OC(C)C 1458a_100000211992_100000067433 [0,1,0,0,0,0|3,0,0]=4 273 B13R0.243 CCNC(=O)C(=O)CC(=O)OC(C)C 1458a_200011297158_100011215430 [0,1,0,0,0,0|1,0,2]=4 274 B13R0.243 CCOC(=O)[C@@H](C)NC(=O)CC(C)C 188690a_100016988386_100000210554 [0,1,0,0,0,0|3,0,0]=4 275 B13R0.243 CCOC(=O)[C@@H](C)NC(=O)C[C@@H](C)O 188690a_100016988386_100011933948 [0,1,0,0,0,0|3,0,0]=4 276 B13R0.246 CCOC(=O)[C@@H](C)NC(=O)C(C)CC 188690a_100016988386_100011192722 [0,1,0,0,0,0|3,0,0]=4 277 B13R0.246 CCOC(=O)[C@@H](C)NC(=O)C(O)CC 188690a_100016988386_100011196387 [0,1,0,0,0,0|3,0,0]=4 278 B13R0.674 CCNC(=O)C(=O)C(C)C(=O)OCC 1458a_200011297158_100011216346 [0,1,0,0,0,0|1,0,2]=4 279 B13R0.674 CCNC(=O)C(=O)C(F)C(=O)OCC 1458a_200011297158_100000760018 [0,1,0,0,0,0|1,0,2]=4 280 B13R0.736 C/C=C(\C)/C(=O)C(C)CC(=O)OCC 1458a_100020587367_100009817359 [0,1,0,0,0,0|2,0,1]=4 281 B13R0.736 C=C(CC(=O)OCC)C(=O)N(C)CC 1626a_100000225621_200000043866 [0,1,0,0,0,0|2,0,1]=4 282 B13R0.736 CCOC(=O)CC(C)C(=O)C(=O)NC 1458a_100011218921_100009817359 [0,1,0,0,0,0|3,0,0]=4 283 B13R0.736 CCOC(=O)CC(C)C(=O)C(C)CC 1458a_100011192722_100009817359 [0,1,0,0,0,0|2,0,0]=3 284 B13R0.736 CCOC(=O)CC(C)C(=O)C(C)OC 1458a_100000743197_100009817359 [0,1,0,0,0,0|3,0,0]=4 285 B13R0.736 CCOC(=O)CC(C)C(=O)C(C)SC 1458a_100000149566_100009817359 [0,1,0,0,0,0|3,0,0]=4 286 B13R0.736 CCOC(=O)CC(C)C(=O)C(O)CC 1458a_100011196387_100009817359 [0,1,0,0,0,0|2,0,0]=3 287 B13R0.736 CCOC(=O)CC(C)C(=O)C(O)CO 1458a_100011215603_100009817359 [0,1,0,0,0,0|3,0,0]=4 288 B13R0.736 CCOC(=O)CN(C)C(=O)C(C)CC 11a_100000220588_100011192722 [0,1,0,0,0,0|3,0,0]=4 289 B13R0.736 CCOC(=O)CN(C)C(=O)C(C)CC 1626a_100000220588_100011192722 [0,1,0,0,0,0|3,0,0]=4 290 B13R0.736 CCOC(=O)CN(C)C(=O)C(C)CC 240690a_100000220588_100011192722 [0,1,0,0,0,0|3,0,0]=4 291 B13R0.736 CCOC(=O)CN(C)C(=O)C(C)CC 527a_100000220588_100011192722 [0,1,0,0,0,0|3,0,0]=4 292 B13R0.736 CCOC(=O)CN(C)C(=O)C(O)CC 240690a_100000220588_100011196387 [0,1,0,0,0,0|3,0,0]=4 293 B13R0.759 CCCC(=O)NC(C)(C)C(=O)OCC 188690a_100000750574_100000211992 [0,1,0,0,0,0|3,0,0]=4 294 B13R1.458 CCCC(=O)C1CC(=O)N(C1)CC 1458a_100000215766_100000210303 [0,0,0,1,0,0|3,0,0]=4 295 B13R1.458 CCNC(=O)C1CC(=O)N(C1)CC 11a_100015525214_100000215766 [0,0,0,1,0,0|3,0,0]=4 296 B13R1.458 CCNC(=O)C1CC(=O)N(C1)CC 240690a_100015525214_100000215766 [0,0,0,1,0,0|3,0,0]=4 297 B13R1.458 CCNC(=O)C1CC(=O)N(C1)CC 527a_100015525214_100000215766 [0,0,0,1,0,0|3,0,0]=4 298 B13R1.1494 CCOC(=O)[C@@H](C)NC(=O)C1CC1 188690a_100016988386_100000210395 [0,0,0,1,0,0|3,0,0]=4 299 B13R1.1495 CCOC(=O)CC(C)C(=O)C1CC1 1458a_100000210395_100009817359 [0,0,0,1,0,0|2,0,0]=3 300 B13R1.1495 CCOC(=O)CC(C)C(=O)C1CO1 1458a_100000701028_100009817359 [0,0,0,1,0,0|3,0,0]=4 301 B13R1.1495 CCOC(=O)CN(C)C(=O)C1CC1 11a_100000220588_100000210395 [0,0,0,1,0,0|3,0,0]=4 302 B13R1.1495 CCOC(=O)CN(C)C(=O)C1CC1 1626a_100000220588_100000210395 [0,0,0,1,0,0|3,0,0]=4 303 B13R1.1495 CCOC(=O)CN(C)C(=O)C1CC1 240690a_100000220588_100000210395 [0,0,0,1,0,0|3,0,0]=4 304 B13R1.1495 CCOC(=O)CN(C)C(=O)C1CC1 527a_100000220588_100000210395 [0,0,0,1,0,0|3,0,0]=4 305 B13R1.1515 CCCC(=O)[C@@H]1C[C@H]1C(=O)OCC 1458a_100009818562_100000210303 [0,0,0,1,0,0|2,0,0]=3 306 B13R1.1515 CCNC(=O)[C@@H]1C[C@H]1C(=O)OCC 11a_100015525214_100009818562 [0,0,0,1,0,0|2,0,0]=3 307 B13R1.1515 CCNC(=O)[C@@H]1C[C@H]1C(=O)OCC 240690a_100015525214_100009818562 [0,0,0,1,0,0|2,0,0]=3 308 B13R1.1515 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCF 1458a_100009818562_100011217306 [0,0,0,1,0,0|3,0,0]=4 309 B13R1.1515 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCO 1458a_100009818562_100000211926 [0,0,0,1,0,0|3,0,0]=4 310 B13R1.1515 CCOC(=O)[C@@H]1C[C@H]1C(=O)NNC 22a_100016993582_100009818562 [0,0,0,1,0,0|3,0,0]=4 311 B13R1.2909 CCNC(=O)C(=O)C1CCOC1=O 1458a_200011297158_100000211211 [0,0,0,1,0,0|1,0,2]=4 312 B11R0.177 CC#CC(=O)C(C)C(=O)OCC 1458a_100000763181_100011216346 [0,0,0,0,1,0|2,0,1]=4 313 B11R0.177 CC#CC(=O)C(F)C(=O)OCC 1458a_100000763181_100000760018 [0,0,0,0,1,0|2,0,1]=4 314 B11R0.177 CC=CC(=O)C(C)C(=O)OCC 1458a_100000210699_100011216346 [0,0,0,0,1,0|2,0,1]=4 315 B11R0.177 CC=CC(=O)C(F)C(=O)OCC 1458a_100000210699_100000760018 [0,0,0,0,1,0|2,0,1]=4 316 B11R0.177 CCCC(=O)C(C)C(=O)NCC 1458a_100000211992_100000230173 [0,0,0,0,1,0|3,0,0]=4 317 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100000211992_100011216346 [0,0,0,0,1,0|2,0,0]=3 318 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210303 [0,0,0,0,1,0|2,0,0]=3 319 B11R0.177 CCCC(=O)C(F)C(=O)OCC 1458a_100000211992_100000760018 [0,0,0,0,1,0|2,0,0]=3 320 B11R0.177 CCNC(=O)C(C)C(=O)OCC 11a_100015525214_100132301724 [0,0,0,0,1,0|2,0,0]=3 321 B11R0.177 CCNC(=O)C(C)C(=O)OCC 240690a_100015525214_100132301724 [0,0,0,0,1,0|2,0,0]=3 322 B11R0.177 CCNC(=O)C(C)C(=O)OCC 527a_100015525214_100132301724 [0,0,0,0,1,0|2,0,0]=3 323 B11R0.177 CCOC(=O)C(C)C(=O)CCF 1458a_100132301724_100011217306 [0,0,0,0,1,0|3,0,0]=4 324 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100011216346 [0,0,0,0,1,0|3,0,0]=4 325 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100132301724_100000211926 [0,0,0,0,1,0|3,0,0]=4 326 B11R0.177 CCOC(=O)C(C)C(=O)COC 1458a_100000210968_100011216346 [0,0,0,0,1,0|3,0,0]=4 327 B11R0.177 CCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100011216346 [0,0,0,0,1,0|3,0,0]=4 328 B11R0.177 CCOC(=O)C(C)C(=O)NNC 22a_100016993582_100132301724 [0,0,0,0,1,0|3,0,0]=4 329 B11R0.177 CCOC(=O)C(F)C(=O)CCO 1458a_100011216618_100000760018 [0,0,0,0,1,0|3,0,0]=4 330 B11R0.177 CCOC(=O)C(F)C(=O)COC 1458a_100000210968_100000760018 [0,0,0,0,1,0|3,0,0]=4 331 B11R0.177 CCOC(=O)C(F)C(=O)CSC 1458a_100000184570_100000760018 [0,0,0,0,1,0|3,0,0]=4 332 B13R0.18 C=COC(=O)CSC(C)C(=O)OCC 62a_100000036128_100011216346 [0,0,0,0,0,1|1,0,2]=4 333 B13R0.18 C=COC(=O)CSC(C)C(=O)OCC 62a_100011216346_100000036128 [0,0,0,0,0,1|1,0,2]=4 334 B13R0.18 C=COC(=O)CSC(F)C(=O)OCC 62a_100000036128_100000760018 [0,0,0,0,0,1|1,0,2]=4 335 B13R0.18 C=COC(=O)CSC(F)C(=O)OCC 62a_100000760018_100000036128 [0,0,0,0,0,1|1,0,2]=4 336 B13R0.18 CC#CC(=O)C(C)CCC(=O)OCC 1458a_100000763181_100000748298 [0,0,0,0,0,1|2,0,1]=4 337 B13R0.18 CC=CC(=O)C(C)CCC(=O)OCC 1458a_100000210699_100000748298 [0,0,0,0,0,1|2,0,1]=4 338 B13R0.18 CCCC(=O)C(C)CCC(=O)OCC 1458a_100000211992_100000748298 [0,0,0,0,0,1|2,0,0]=3 339 B13R0.18 CCCC(=O)CNC(C)C(=O)NCC 2230a_100000736553_100000747444 [0,0,0,0,0,1|3,0,0]=4 340 B13R0.18 CCCC(=O)CN[C@@H](C)C(=O)SCC 2230a_100103168634_100000747444 [0,0,0,0,0,1|2,1,0]=4 341 B13R0.18 CCCC(=O)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000747444 [0,0,0,0,0,1|2,0,0]=3 342 B13R0.18 CCCC(=O)CSC(C)C(=O)NCC 62a_100000230173_100000747444 [0,0,0,0,0,1|3,0,0]=4 343 B13R0.18 CCCC(=O)CSC(C)C(=O)NCC 62a_100000747444_100000230173 [0,0,0,0,0,1|3,0,0]=4 344 B13R0.18 CCCC(=O)CSC(C)C(=O)OCC 62a_100000747444_100011216346 [0,0,0,0,0,1|2,0,0]=3 345 B13R0.18 CCCC(=O)CSC(C)C(=O)OCC 62a_100011216346_100000747444 [0,0,0,0,0,1|2,0,0]=3 346 B13R0.18 CCCC(=O)CSC(F)C(=O)OCC 62a_100000747444_100000760018 [0,0,0,0,0,1|2,0,0]=3 347 B13R0.18 CCCC(=O)CSC(F)C(=O)OCC 62a_100000760018_100000747444 [0,0,0,0,0,1|2,0,0]=3 348 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 11a_100000745921_100000211992 [0,0,0,0,0,1|3,0,0]=4 349 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000211992 [0,0,0,0,0,1|3,0,0]=4 350 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 240690a_100000745921_100000211992 [0,0,0,0,0,1|3,0,0]=4 351 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 527a_100000745921_100000211992 [0,0,0,0,0,1|3,0,0]=4 352 B13R0.18 CCNC(=O)C(C)NCC(=O)OCC 2230a_100000736553_100000188475 [0,0,0,0,0,1|2,0,0]=3 353 B13R0.18 CCNC(=O)C(C)NCC(=O)OCC 34a_100000736553_100000188475 [0,0,0,0,0,1|2,0,0]=3 354 B13R0.18 CCNC(=O)C(C)SCC(=O)OCC 62a_100000188475_100000230173 [0,0,0,0,0,1|2,0,0]=3 355 B13R0.18 CCNC(=O)C(C)SCC(=O)OCC 62a_100000230173_100000188475 [0,0,0,0,0,1|2,0,0]=3 356 B13R0.18 CCNC(=O)CNC(=O)C(=O)OCC 11a_100016988866_100014798877 [0,0,0,0,0,1|1,0,2]=4 357 B13R0.18 CCNC(=O)CNC(=O)C(=O)OCC 1626a_100016988866_100014798877 [0,0,0,0,0,1|1,0,2]=4 358 B13R0.18 CCNC(=O)CNC(=O)C(=O)OCC 240690a_100016988866_100014798877 [0,0,0,0,0,1|1,0,2]=4 359 B13R0.18 CCNC(=O)CNC(C)C(=O)NCC 2230a_100000736553_100000183381 [0,0,0,0,0,1|3,0,0]=4 360 B13R0.18 CCNC(=O)CNC(C)C(=O)NCC 2230a_100016988866_100000230173 [0,0,0,0,0,1|3,0,0]=4 361 B13R0.18 CCNC(=O)CNC(C)C(=O)NCC 34a_100000736553_100000183381 [0,0,0,0,0,1|3,0,0]=4 362 B13R0.18 CCNC(=O)CNC(C)C(=O)OCC 2230a_100016988866_100011215307 [0,0,0,0,0,1|2,0,0]=3 363 B13R0.18 CCNC(=O)CNC(F)C(=O)OCC 2230a_100016988866_100000760018 [0,0,0,0,0,1|2,0,0]=3 364 B13R0.18 CCNC(=O)CN[C@@H](C)C(=O)SCC 2230a_100103168634_100000183381 [0,0,0,0,0,1|2,1,0]=4 365 B13R0.18 CCNC(=O)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000183381 [0,0,0,0,0,1|2,0,0]=3 366 B13R0.18 CCNC(=O)CSC(C)C(=O)NCC 62a_100000183381_100000230173 [0,0,0,0,0,1|3,0,0]=4 367 B13R0.18 CCNC(=O)CSC(C)C(=O)NCC 62a_100000230173_100000183381 [0,0,0,0,0,1|3,0,0]=4 368 B13R0.18 CCNC(=O)CSC(C)C(=O)OCC 62a_100000183381_100011216346 [0,0,0,0,0,1|2,0,0]=3 369 B13R0.18 CCNC(=O)CSC(C)C(=O)OCC 62a_100011216346_100000183381 [0,0,0,0,0,1|2,0,0]=3 370 B13R0.18 CCNC(=O)CSC(F)C(=O)OCC 62a_100000183381_100000760018 [0,0,0,0,0,1|2,0,0]=3 371 B13R0.18 CCNC(=O)CSC(F)C(=O)OCC 62a_100000760018_100000183381 [0,0,0,0,0,1|2,0,0]=3 372 B13R0.18 CCOC(=O)C(C)SCC(=O)NCO 62a_100000185155_100011216346 [0,0,0,0,0,1|3,0,0]=4 373 B13R0.18 CCOC(=O)C(C)SCC(=O)NCO 62a_100011216346_100000185155 [0,0,0,0,0,1|3,0,0]=4 374 B13R0.18 CCOC(=O)C(F)SCC(=O)NCO 62a_100000185155_100000760018 [0,0,0,0,0,1|3,0,0]=4 375 B13R0.18 CCOC(=O)C(F)SCC(=O)NCO 62a_100000760018_100000185155 [0,0,0,0,0,1|3,0,0]=4 376 B13R0.18 CCOC(=O)CCC(C)C(=O)CCO 1458a_100011216618_100000748298 [0,0,0,0,0,1|3,0,0]=4 377 B13R0.18 CCOC(=O)CCC(C)C(=O)COC 1458a_100000210968_100000748298 [0,0,0,0,0,1|3,0,0]=4 378 B13R0.18 CCOC(=O)CCC(C)C(=O)CSC 1458a_100000184570_100000748298 [0,0,0,0,0,1|3,0,0]=4 379 B13R0.18 CCOC(=O)CN[C@@H](C)C(=O)SCC 2230a_100103168634_100000188475 [0,0,0,0,0,1|1,1,0]=3 380 B13R0.18 CCOC(=O)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000188475 [0,0,0,0,0,1|1,0,0]=2 381 B13R0.18 CCOC(=O)CSC(C)C(=O)OCC 62a_100000188475_100011216346 [0,0,0,0,0,1|1,0,0]=2 382 B13R0.18 CCOC(=O)CSC(C)C(=O)OCC 62a_100011216346_100000188475 [0,0,0,0,0,1|1,0,0]=2 383 B13R0.18 CCOC(=O)CSC(F)C(=O)OCC 62a_100000188475_100000760018 [0,0,0,0,0,1|1,0,0]=2 384 B13R0.18 CCOC(=O)CSC(F)C(=O)OCC 62a_100000760018_100000188475 [0,0,0,0,0,1|1,0,0]=2 385 B13R0.18 CCOC(=O)[C@H](C)OCC(=O)NCO 7a_100000751109_100000185155 [0,0,0,0,0,1|3,0,0]=4 386 B13R0.89 CC=CC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000210699 [0,0,0,0,0,1|2,0,1]=4 387 B13R0.89 CCCC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_100000747444 [0,0,0,0,0,1|1,0,2]=4 388 B13R0.89 CCCC(=O)CC(=O)NC(=O)OCC 1458a_100000211992_100000010344 [0,0,0,0,0,1|1,0,2]=4 389 B13R0.89 CCCC(=O)CN(C)CC(=O)OCC 2230a_100000220588_100000747444 [0,0,0,0,0,1|3,0,0]=4 390 B13R0.89 CCCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000211992 [0,0,0,0,0,1|2,0,0]=3 391 B13R0.89 CCCN(C)C[C@@H](O)CC(=O)OCC 269982a_100000747261_100000688340 [0,0,0,0,0,1|3,0,0]=4 392 B13R0.89 CCNC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_100000183381 [0,0,0,0,0,1|1,0,2]=4 393 B13R0.89 CCNC(=O)CN(C)CC(=O)OCC 2230a_100000220588_100000183381 [0,0,0,0,0,1|3,0,0]=4 394 B13R0.89 CCNC(=O)CN(C)CC(=O)OCC 2230a_100000741943_100000188475 [0,0,0,0,0,1|3,0,0]=4 395 B13R0.89 CCNC(=O)CN(C)CC(=O)OCC 269982a_100000741943_100000188475 [0,0,0,0,0,1|3,0,0]=4 396 B13R0.89 CCOC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_100000188475 [0,0,0,0,0,1|0,0,2]=3 397 B13R0.89 CCOC(=O)CC(C)NC(=O)COC 188690a_100000686176_100000210968 [0,0,0,0,0,1|3,0,0]=4 398 B13R0.89 CCOC(=O)CC(C)NC(=O)CSC 188690a_100000686176_100000184570 [0,0,0,0,0,1|3,0,0]=4 399 B13R0.89 CCOC(=O)CN(C)CC(=O)OCC 2230a_100000220588_100000188475 [0,0,0,0,0,1|2,0,0]=3 400 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [2,0,0,0,0,0|2,0,0]=4 401 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [2,0,0,0,0,0|1,0,1]=4 402 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [2,0,0,0,0,0|2,0,0]=4 403 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [2,0,0,0,0,0|2,0,0]=4 404 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [2,0,0,0,0,0|2,0,0]=4 405 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [2,0,0,0,0,0|1,0,1]=4 406 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [2,0,0,0,0,0|1,0,1]=4 407 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [2,0,0,0,0,0|0,1,1]=4 408 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [2,0,0,0,0,0|0,1,1]=4 409 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [2,0,0,0,0,0|0,0,1]=3 410 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [2,0,0,0,0,0|0,0,1]=3 411 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [2,0,0,0,0,0|1,0,1]=4 412 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [2,0,0,0,0,0|1,0,1]=4 413 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [2,0,0,0,0,0|1,0,1]=4 414 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [2,0,0,0,0,0|2,0,0]=4 415 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [2,0,0,0,0,0|1,1,0]=4 416 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [2,0,0,0,0,0|1,1,0]=4 417 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [2,0,0,0,0,0|1,0,0]=3 418 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [2,0,0,0,0,0|2,0,0]=4 419 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [2,0,0,0,0,0|1,0,1]=4 420 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [2,0,0,0,0,0|1,0,1]=4 421 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [2,0,0,0,0,0|0,0,1]=3 422 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [2,0,0,0,0,0|0,1,1]=4 423 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [2,0,0,0,0,0|0,1,1]=4 424 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [2,0,0,0,0,0|0,1,1]=4 425 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [2,0,0,0,0,0|0,1,1]=4 426 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [2,0,0,0,0,0|0,0,1]=3 427 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [2,0,0,0,0,0|0,1,1]=4 428 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [2,0,0,0,0,0|0,1,1]=4 429 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [2,0,0,0,0,0|1,0,1]=4 430 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [2,0,0,0,0,0|1,0,1]=4 431 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [2,0,0,0,0,0|1,0,1]=4 432 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [2,0,0,0,0,0|1,0,1]=4 433 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [2,0,0,0,0,0|2,0,0]=4 434 B10R0.46 CCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210202 [2,0,0,0,0,0|1,0,0]=3 435 B10R0.46 CCC(=O)N(C)CC(=O)OC 11a_100000198492_100000210414 [2,0,0,0,0,0|2,0,0]=4 436 B10R0.46 CCC(=O)N(C)CC(=O)OC 1626a_100000198492_100000210414 [2,0,0,0,0,0|2,0,0]=4 437 B10R0.46 CCC(=O)N(C)CC(=O)OC 240690a_100000198492_100000210414 [2,0,0,0,0,0|2,0,0]=4 438 B10R0.46 CCC(=O)N(C)CC(=O)OC 527a_100000198492_100000210414 [2,0,0,0,0,0|2,0,0]=4 439 B10R0.46 CCC(=O)NC(C)C(=O)CC 1458a_100000194823_100000210202 [2,0,0,0,0,0|2,0,0]=4 440 B10R0.46 CCC(=O)N[C@H](C)C(=O)OC 188690a_100000687819_100000210414 [2,0,0,0,0,0|2,0,0]=4 441 B10R0.46 CNC(=O)C(C)CC(=O)OC 1626a_100102657272_100000037256 [2,0,0,0,0,0|2,0,0]=4 442 B10R0.46 CNC(=O)C(C)CC(=O)OC 240690a_100102657272_100000037256 [2,0,0,0,0,0|2,0,0]=4 443 B10R0.46 CNC(=O)C(C)CC(=O)OC 527a_100102657272_100000037256 [2,0,0,0,0,0|2,0,0]=4 444 B10R0.46 COC(=O)CC(C)C(=O)CF 1458a_100000037256_100015361967 [2,0,0,0,0,0|2,0,0]=4 445 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [2,0,0,0,0,0|2,0,0]=4 446 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [2,0,0,0,0,0|1,0,0]=3 447 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [2,0,0,0,0,0|2,0,0]=4 448 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [2,0,0,0,0,0|2,0,0]=4 449 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [2,0,0,0,0,0|2,0,0]=4 450 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [2,0,0,0,0,0|2,0,0]=4 451 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [2,0,0,0,0,0|2,0,0]=4 452 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [2,0,0,0,0,0|1,0,0]=3 453 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [2,0,0,0,0,0|2,0,0]=4 454 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [2,0,0,0,0,0|2,0,0]=4 455 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [2,0,0,0,0,0|2,0,0]=4 456 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [2,0,0,0,0,0|2,0,0]=4 457 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [2,0,0,0,0,0|2,0,0]=4 458 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [2,0,0,0,0,0|2,0,0]=4 459 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [2,0,0,0,0,0|2,0,0]=4 460 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [2,0,0,0,0,0|1,0,0]=3 461 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [2,0,0,0,0,0|1,0,0]=3 462 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [2,0,0,0,0,0|1,0,0]=3 463 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [2,0,0,0,0,0|2,0,0]=4 464 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [2,0,0,0,0,0|2,0,0]=4 465 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [2,0,0,0,0,0|2,0,0]=4 466 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100015525214_100000194589 [2,0,0,0,0,0|2,0,0]=4 467 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100016988866_100000210414 [2,0,0,0,0,0|2,0,0]=4 468 B10R0.108 CCNC(=O)CNC(=O)CC 1626a_100016988866_100000210414 [2,0,0,0,0,0|2,0,0]=4 469 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100015525214_100000194589 [2,0,0,0,0,0|2,0,0]=4 470 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100016988866_100000210414 [2,0,0,0,0,0|2,0,0]=4 471 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100015525214_100000194589 [2,0,0,0,0,0|2,0,0]=4 472 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100016988866_100000210414 [2,0,0,0,0,0|2,0,0]=4 473 B10R0.108 CCNC(=O)CNC(=O)OC 11a_100015525214_100000215747 [2,0,0,0,0,0|2,0,0]=4 474 B10R0.108 CCNC(=O)CNC(=O)OC 240690a_100015525214_100000215747 [2,0,0,0,0,0|2,0,0]=4 475 B10R0.108 CCNC(=O)CNC(=O)OC 527a_100015525214_100000215747 [2,0,0,0,0,0|2,0,0]=4 476 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [2,0,0,0,0,0|0,0,2]=4 477 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [2,0,0,0,0,0|0,0,0]=2 478 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [2,0,0,0,0,0|1,0,0]=3 479 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [2,0,0,0,0,0|1,0,0]=3 480 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [2,0,0,0,0,0|1,0,0]=3 481 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [2,0,0,0,0,0|1,0,0]=3 482 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [2,0,0,0,0,0|1,0,1]=4 483 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [2,0,0,0,0,0|2,0,0]=4 484 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [2,0,0,0,0,0|2,0,0]=4 485 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [2,0,0,0,0,0|2,0,0]=4 486 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [2,0,0,0,0,0|2,0,0]=4 487 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [2,0,0,0,0,0|2,0,0]=4 488 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [2,0,0,0,0,0|2,0,0]=4 489 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [2,0,0,0,0,0|2,0,0]=4 490 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [2,0,0,0,0,0|2,0,0]=4 491 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [2,0,0,0,0,0|1,0,0]=3 492 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [2,0,0,0,0,0|2,0,0]=4 493 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [2,0,0,0,0,0|1,0,0]=3 494 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [2,0,0,0,0,0|2,0,0]=4 495 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [2,0,0,0,0,0|2,0,0]=4 496 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [2,0,0,0,0,0|2,0,0]=4 497 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [2,0,0,0,0,0|2,0,0]=4 498 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [2,0,0,0,0,0|2,0,0]=4 499 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [2,0,0,0,0,0|2,0,0]=4 500 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [2,0,0,0,0,0|2,0,0]=4 501 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [2,0,0,0,0,0|2,0,0]=4 502 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [2,0,0,0,0,0|2,0,0]=4 503 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [2,0,0,0,0,0|2,0,0]=4 504 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [2,0,0,0,0,0|2,0,0]=4 505 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [2,0,0,0,0,0|2,0,0]=4 506 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [2,0,0,0,0,0|2,0,0]=4 507 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [2,0,0,0,0,0|2,0,0]=4 508 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [2,0,0,0,0,0|2,0,0]=4 509 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [2,0,0,0,0,0|1,0,1]=4 510 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [2,0,0,0,0,0|1,0,0]=3 511 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [2,0,0,0,0,0|2,0,0]=4 512 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [2,0,0,0,0,0|2,0,0]=4 513 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [2,0,0,0,0,0|2,0,0]=4 514 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [2,0,0,0,0,0|2,0,0]=4 515 B12R0.68 CCOC(=O)C[C@H](O)CN(C)CC 269982a_100000225621_100000688340 [1,1,0,0,0,0|1,0,1]=4 516 B12R0.239 C#CCOC[C@@H](O)CC(=O)OCC 34a_100000210247_100000688340 [1,1,0,0,0,0|0,0,2]=4 517 B12R0.239 C=CCOC[C@@H](O)CC(=O)OCC 34a_200000210373_100000688340 [1,1,0,0,0,0|0,0,2]=4 518 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [1,1,0,0,0,0|0,0,1]=3 519 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000210303_100000688340 [1,1,0,0,0,0|0,1,1]=4 520 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210303 [1,1,0,0,0,0|0,1,1]=4 521 B12R0.239 CCOC(=O)C[C@H](O)CNCCF 34a_100000724931_100000688340 [1,1,0,0,0,0|1,0,1]=4 522 B12R0.239 CCOC(=O)C[C@H](O)CNCCO 34a_100016990907_100000688340 [1,1,0,0,0,0|1,0,1]=4 523 B12R0.239 CCOC(=O)C[C@H](O)COCCBr 34a_100000211926_100000688340 [1,1,0,0,0,0|0,0,1]=3 524 B12R0.239 CCOC(=O)C[C@H](O)COCCN 34a_100000210304_100000688340 [1,1,0,0,0,0|0,0,1]=3 525 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100000688340_100011217306 [1,1,0,0,0,0|0,1,1]=4 526 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100011217306_100000688340 [1,1,0,0,0,0|0,1,1]=4 527 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000211926_100000688340 [1,1,0,0,0,0|0,1,1]=4 528 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000688340_100000211926 [1,1,0,0,0,0|0,1,1]=4 529 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000688340_100000766300 [1,1,0,0,0,0|0,1,1]=4 530 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000766300_100000688340 [1,1,0,0,0,0|0,1,1]=4 531 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100000688340_100011218213 [1,1,0,0,0,0|0,1,1]=4 532 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100011218213_100000688340 [1,1,0,0,0,0|0,1,1]=4 533 B12R0.239 CCOC=CC(=O)CC(=O)OCC 1458a_100016266692_100000188475 [1,1,0,0,0,0|0,0,2]=4 534 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100000739092_100009817359 [1,1,0,0,0,0|1,0,1]=4 535 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100009817359_100000739092 [1,1,0,0,0,0|1,0,1]=4 536 B12R0.283 CCOC(=O)C[C@H](O)CNC(C)C 34a_100138425928_100000688340 [1,1,0,0,0,0|1,0,1]=4 537 B12R0.283 CCOC(=O)C[C@H](O)COC(C)C 34a_100000212225_100000688340 [1,1,0,0,0,0|0,0,1]=3 538 B12R0.283 CCOC(=O)C[C@H](O)CSC(C)C 62a_100000210206_100000688340 [1,1,0,0,0,0|0,1,1]=4 539 B12R0.283 CCOC(=O)C[C@H](O)CSC(C)C 62a_100000688340_100000210206 [1,1,0,0,0,0|0,1,1]=4 540 B12R0.61 CCC(C)C(=O)C(C)CC(=O)OC 1458a_100000037256_100000758301 [1,1,0,0,0,0|2,0,0]=4 541 B12R0.61 CCN(C)C(=O)C(C)CC(=O)OC 1626a_100000225621_100000037256 [1,1,0,0,0,0|2,0,0]=4 542 B12R0.61 CCN(C)C(=O)C(C)CC(=O)OC 240690a_100000225621_100000037256 [1,1,0,0,0,0|2,0,0]=4 543 B12R0.61 CCN(C)C(=O)C(C)CC(=O)OC 527a_100000225621_100000037256 [1,1,0,0,0,0|2,0,0]=4 544 B12R0.76 CCOC(=O)[C@@H](C)NC(=O)C(C)C 188690a_100016988386_100000210198 [1,1,0,0,0,0|2,0,0]=4 545 B12R0.76 CCOC(=O)[C@@H](C)NC(=O)C(C)F 188690a_100016988386_100000062450 [1,1,0,0,0,0|2,0,0]=4 546 B12R0.76 CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)O 188690a_100016988386_100000717761 [1,1,0,0,0,0|2,0,0]=4 547 B12R0.76 CCOC(=O)[C@@H](C)NC(=O)[C@H](C)O 188690a_100016988386_217856618621 [1,1,0,0,0,0|2,0,0]=4 548 B12R0.80 CCOC(=O)[C@@H](CO)NC(=O)CC 188690a_100016988294_100000210414 [1,1,0,0,0,0|1,0,0]=3 549 B12R0.80 CCOC(=O)[C@@H](CO)NC(=O)CO 188690a_100016988294_100000210174 [1,1,0,0,0,0|2,0,0]=4 550 B12R0.80 CCOC(=O)[C@H](CC)NC(=O)CC 188690a_100025709693_100000210414 [1,1,0,0,0,0|2,0,0]=4 551 B12R0.235 COC(=O)CC(C)C(=O)CC(C)C 1458a_100000037256_100000210624 [1,1,0,0,0,0|2,0,0]=4 552 B12R0.235 COC(=O)CC(C)C(=O)CC(C)O 1458a_100000037256_100011218427 [1,1,0,0,0,0|2,0,0]=4 553 B12R0.235 COC(=O)CC(C)C(=O)NC(C)C 1626a_100138425928_100000037256 [1,1,0,0,0,0|2,0,0]=4 554 B12R0.235 COC(=O)CC(C)C(=O)NC(C)C 240690a_100138425928_100000037256 [1,1,0,0,0,0|2,0,0]=4 555 B12R0.235 COC(=O)CC(C)C(=O)NC(C)C 527a_100138425928_100000037256 [1,1,0,0,0,0|2,0,0]=4 556 B12R0.252 CCCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210211 [1,1,0,0,0,0|2,0,0]=4 557 B12R0.252 CCCNC(=O)C(C)CC(=O)OC 1626a_100020643023_100000037256 [1,1,0,0,0,0|2,0,0]=4 558 B12R0.252 CCCNC(=O)C(C)CC(=O)OC 240690a_100020643023_100000037256 [1,1,0,0,0,0|2,0,0]=4 559 B12R0.252 CCCNC(=O)C(C)CC(=O)OC 527a_100020643023_100000037256 [1,1,0,0,0,0|2,0,0]=4 560 B12R0.252 CCNNC(=O)C(C)CC(=O)OC 22a_100000756455_100000037256 [1,1,0,0,0,0|2,0,0]=4 561 B12R0.252 CCOCC(=O)N(C)CC(=O)OC 11a_100000198492_100000211967 [1,1,0,0,0,0|2,0,0]=4 562 B12R0.252 CCOCC(=O)N(C)CC(=O)OC 1626a_100000198492_100000211967 [1,1,0,0,0,0|2,0,0]=4 563 B12R0.252 CCOCC(=O)N(C)CC(=O)OC 240690a_100000198492_100000211967 [1,1,0,0,0,0|2,0,0]=4 564 B12R0.252 CCOCC(=O)N(C)CC(=O)OC 527a_100000198492_100000211967 [1,1,0,0,0,0|2,0,0]=4 565 B12R0.252 COC(=O)CC(C)C(=O)CCCF 1458a_100000037256_100011934791 [1,1,0,0,0,0|2,0,0]=4 566 B12R0.252 COC(=O)CC(C)C(=O)CCCO 1458a_100000037256_100011215043 [1,1,0,0,0,0|2,0,0]=4 567 B12R0.252 COC(=O)CC(C)C(=O)CCSC 1458a_100000037256_100000751147 [1,1,0,0,0,0|2,0,0]=4 568 B12R0.252 COC(=O)CC(C)C(=O)NCCF 1626a_100000724931_100000037256 [1,1,0,0,0,0|2,0,0]=4 569 B12R0.252 COC(=O)CC(C)C(=O)NCCF 240690a_100000724931_100000037256 [1,1,0,0,0,0|2,0,0]=4 570 B12R0.252 COC(=O)CC(C)C(=O)NCCF 527a_100000724931_100000037256 [1,1,0,0,0,0|2,0,0]=4 571 B12R0.252 COC(=O)CC(C)C(=O)NCCO 240690a_100000210304_100000037256 [1,1,0,0,0,0|2,0,0]=4 572 B12R0.252 COC(=O)CC(C)C(=O)NCCO 527a_100000210304_100000037256 [1,1,0,0,0,0|2,0,0]=4 573 B12R0.252 COCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000233755 [1,1,0,0,0,0|2,0,0]=4 574 B12R0.730 CCCC(=O)C(C)(C)CC(=O)OC 1458a_100000720384_100000210303 [1,1,0,0,0,0|2,0,0]=4 575 B12R0.730 CCNC(=O)C(C)(C)CC(=O)OC 240690a_100015525214_100000720384 [1,1,0,0,0,0|2,0,0]=4 576 B12R0.730 CCNC(=O)C(C)(C)CC(=O)OC 527a_100015525214_100000720384 [1,1,0,0,0,0|2,0,0]=4 577 B12R0.730 CCOC(=O)C(C)(C)NC(=O)CC 188690a_100000750574_100000210414 [1,1,0,0,0,0|2,0,0]=4 578 B12R0.79 CCNC(=O)CCC(=O)C(C)CC 1458a_100000199579_100000758301 [1,1,0,0,0,0|2,0,0]=4 579 B12R0.79 CCNC(=O)CCC(=O)N(C)CC 11a_100000225621_100000199579 [1,1,0,0,0,0|2,0,0]=4 580 B12R0.79 CCNC(=O)CCC(=O)N(C)CC 1626a_100000225621_100000199579 [1,1,0,0,0,0|2,0,0]=4 581 B12R0.79 CCNC(=O)CCC(=O)N(C)CC 240690a_100000225621_100000199579 [1,1,0,0,0,0|2,0,0]=4 582 B12R0.79 CCOC(=O)CCC(=O)C(C)CC 1458a_100000183558_100000758301 [1,1,0,0,0,0|1,0,0]=3 583 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 11a_100000225621_100000183558 [1,1,0,0,0,0|1,0,0]=3 584 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 1626a_100000225621_100000183558 [1,1,0,0,0,0|1,0,0]=3 585 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 240690a_100000225621_100000183558 [1,1,0,0,0,0|1,0,0]=3 586 B12R0.79 CCOC(=O)CNC(=O)C(C)CC 188690a_100000741813_100011192722 [1,1,0,0,0,0|2,0,0]=4 587 B12R0.79 CCOC(=O)CNC(=O)C(O)CC 188690a_100000741813_100011196387 [1,1,0,0,0,0|2,0,0]=4 588 B12R0.79 CCOC(=O)NCC(=O)C(C)CC 1458a_100000190774_100000758301 [1,1,0,0,0,0|2,0,0]=4 589 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 11a_100000225621_100000190774 [1,1,0,0,0,0|2,0,0]=4 590 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 1626a_100000225621_100000190774 [1,1,0,0,0,0|2,0,0]=4 591 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 240690a_100000225621_100000190774 [1,1,0,0,0,0|2,0,0]=4 592 B12R0.79 CCOC(=O)NCC(=O)N(C)CC 527a_100000225621_100000190774 [1,1,0,0,0,0|2,0,0]=4 593 B12R0.101 C#CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000753159 [1,1,0,0,0,0|1,0,1]=4 594 B12R0.101 C#CCNC(=O)CCC(=O)OCC 11a_100000212058_100000183558 [1,1,0,0,0,0|1,0,1]=4 595 B12R0.101 C#CCNC(=O)CCC(=O)OCC 1626a_100000212058_100000183558 [1,1,0,0,0,0|1,0,1]=4 596 B12R0.101 C#CCNC(=O)CCC(=O)OCC 240690a_100000212058_100000183558 [1,1,0,0,0,0|1,0,1]=4 597 B12R0.101 C/C=C/CC(=O)CCC(=O)OCC 1458a_100000183558_100102629194 [1,1,0,0,0,0|1,0,1]=4 598 B12R0.101 C=CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000754431 [1,1,0,0,0,0|1,0,1]=4 599 B12R0.101 C=CCNC(=O)CCC(=O)OCC 1626a_100020586998_100000183558 [1,1,0,0,0,0|1,0,1]=4 600 B12R0.101 C=CCNC(=O)CCC(=O)OCC 240690a_100020586998_100000183558 [1,1,0,0,0,0|1,0,1]=4 601 B12R0.101 CC#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000748600 [1,1,0,0,0,0|1,0,1]=4 602 B12R0.101 CC=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000070051 [1,1,0,0,0,0|1,0,1]=4 603 B12R0.101 CCCC(=O)OCC(=O)COCC 1458a_100000211967_100000034017 [1,1,0,0,0,0|2,0,0]=4 604 B12R0.101 CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210211 [1,1,0,0,0,0|2,0,0]=4 605 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [1,1,0,0,0,0|1,0,0]=3 606 B12R0.101 CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210211 [1,1,0,0,0,0|2,0,0]=4 607 B12R0.101 CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210183 [1,1,0,0,0,0|2,0,0]=4 608 B12R0.101 CCCNC(=O)CCC(=O)CCC 1458a_100000199543_100000210303 [1,1,0,0,0,0|2,0,0]=4 609 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100015525214_100000199543 [1,1,0,0,0,0|2,0,0]=4 610 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100020643023_100000199579 [1,1,0,0,0,0|2,0,0]=4 611 B12R0.101 CCCNC(=O)CCC(=O)NCC 1626a_100020643023_100000199579 [1,1,0,0,0,0|2,0,0]=4 612 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199543 [1,1,0,0,0,0|2,0,0]=4 613 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100020643023_100000199579 [1,1,0,0,0,0|2,0,0]=4 614 B12R0.101 CCCNC(=O)CCC(=O)NCC 527a_100015525214_100000199543 [1,1,0,0,0,0|2,0,0]=4 615 B12R0.101 CCCNC(=O)CCC(=O)OCC 11a_100020643023_100000183558 [1,1,0,0,0,0|1,0,0]=3 616 B12R0.101 CCCNC(=O)CCC(=O)OCC 1626a_100020643023_100000183558 [1,1,0,0,0,0|1,0,0]=3 617 B12R0.101 CCCNC(=O)CCC(=O)OCC 240690a_100020643023_100000183558 [1,1,0,0,0,0|1,0,0]=3 618 B12R0.101 CCCNC(=O)CNC(=O)OCC 11a_100020643023_100000190774 [1,1,0,0,0,0|2,0,0]=4 619 B12R0.101 CCCNC(=O)CNC(=O)OCC 1626a_100020643023_100000190774 [1,1,0,0,0,0|2,0,0]=4 620 B12R0.101 CCCNC(=O)CNC(=O)OCC 240690a_100020643023_100000190774 [1,1,0,0,0,0|2,0,0]=4 621 B12R0.101 CCCNC(=O)CNC(=O)OCC 527a_100020643023_100000190774 [1,1,0,0,0,0|2,0,0]=4 622 B12R0.101 CCCOC(=O)OCC(=O)CCC 1458a_100000211992_200000139673 [1,1,0,0,0,0|2,0,0]=4 623 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [1,1,0,0,0,0|1,0,1]=4 624 B12R0.101 CCNC(=O)CCC(=O)CCCF 1458a_100000199579_100011934791 [1,1,0,0,0,0|2,0,0]=4 625 B12R0.101 CCNC(=O)CCC(=O)CCCO 1458a_100000199579_100011215043 [1,1,0,0,0,0|2,0,0]=4 626 B12R0.101 CCNC(=O)CCC(=O)CCOC 1458a_100000199579_100000233755 [1,1,0,0,0,0|2,0,0]=4 627 B12R0.101 CCNC(=O)CCC(=O)CCSC 1458a_100000199579_100000751147 [1,1,0,0,0,0|2,0,0]=4 628 B12R0.101 CCNC(=O)CCC(=O)NCCF 11a_100000724931_100000199579 [1,1,0,0,0,0|2,0,0]=4 629 B12R0.101 CCNC(=O)CCC(=O)NCCF 1626a_100000724931_100000199579 [1,1,0,0,0,0|2,0,0]=4 630 B12R0.101 CCNC(=O)CCC(=O)NCCF 240690a_100000724931_100000199579 [1,1,0,0,0,0|2,0,0]=4 631 B12R0.101 CCNC(=O)CCC(=O)NCCO 240690a_100000210304_100000199579 [1,1,0,0,0,0|2,0,0]=4 632 B12R0.101 CCNC(=O)CNC(=O)COCC 11a_100016988866_100000211967 [1,1,0,0,0,0|2,0,0]=4 633 B12R0.101 CCNC(=O)CNC(=O)COCC 1626a_100016988866_100000211967 [1,1,0,0,0,0|2,0,0]=4 634 B12R0.101 CCNC(=O)CNC(=O)COCC 240690a_100016988866_100000211967 [1,1,0,0,0,0|2,0,0]=4 635 B12R0.101 CCNC(=O)CNC(=O)COCC 527a_100016988866_100000211967 [1,1,0,0,0,0|2,0,0]=4 636 B12R0.101 CCNCC(=O)NCC(=O)OCC 2230a_100015525214_100011215850 [1,1,0,0,0,0|2,0,0]=4 637 B12R0.101 CCNN=C(C)CCC(=O)OCC 4a_100000756455_100011212338 [1,1,0,0,0,0|2,0,0]=4 638 B12R0.101 CCNNC(=O)CCC(=O)NCC 22a_100000756455_100000199579 [1,1,0,0,0,0|2,0,0]=4 639 B12R0.101 CCNNC(=O)CNC(=O)OCC 22a_100000756455_100000190774 [1,1,0,0,0,0|2,0,0]=4 640 B12R0.101 CCOC(=O)CCC(=O)CCC#N 1458a_100000183558_100011215226 [1,1,0,0,0,0|1,0,1]=4 641 B12R0.101 CCOC(=O)CCC(=O)CCCF 1458a_100000183558_100011934791 [1,1,0,0,0,0|1,0,0]=3 642 B12R0.101 CCOC(=O)CCC(=O)CCCO 1458a_100000183558_100011215043 [1,1,0,0,0,0|1,0,0]=3 643 B12R0.101 CCOC(=O)CCC(=O)CCOC 1458a_100000183558_100000233755 [1,1,0,0,0,0|1,0,0]=3 644 B12R0.101 CCOC(=O)CCC(=O)CCSC 1458a_100000183558_100000751147 [1,1,0,0,0,0|1,0,0]=3 645 B12R0.101 CCOC(=O)CCC(=O)NCC#N 1626a_100000734998_100000183558 [1,1,0,0,0,0|1,0,1]=4 646 B12R0.101 CCOC(=O)CCC(=O)NCCF 11a_100000724931_100000183558 [1,1,0,0,0,0|1,0,0]=3 647 B12R0.101 CCOC(=O)CCC(=O)NCCF 1626a_100000724931_100000183558 [1,1,0,0,0,0|1,0,0]=3 648 B12R0.101 CCOC(=O)CCC(=O)NCCF 240690a_100000724931_100000183558 [1,1,0,0,0,0|1,0,0]=3 649 B12R0.101 CCOC(=O)CCC(=O)NCCO 240690a_100000210304_100000183558 [1,1,0,0,0,0|1,0,0]=3 650 B12R0.101 CCOC(=O)CCC(C)OCCBr 34a_100000211926_100000748298 [1,1,0,0,0,0|1,0,1]=4 651 B12R0.101 CCOC(=O)CCC(C)OCCN 34a_100000210304_100000748298 [1,1,0,0,0,0|1,0,1]=4 652 B12R0.101 CCOC(=O)CNC(=O)CCOC 188690a_100000741813_100000749529 [1,1,0,0,0,0|2,0,0]=4 653 B12R0.101 CCOC(=O)CNC(=O)CCSC 188690a_100000741813_100000174002 [1,1,0,0,0,0|2,0,0]=4 654 B12R0.101 CCOC(=O)CNC(=O)CSCC 188690a_100000741813_100000230394 [1,1,0,0,0,0|1,1,0]=4 655 B12R0.101 CCOC(=O)CNC(=O)CSCC 62a_100000210202_100011215850 [1,1,0,0,0,0|1,1,0]=4 656 B12R0.101 CCOC(=O)CNC(=O)CSCC 62a_100011215850_100000210202 [1,1,0,0,0,0|1,1,0]=4 657 B12R0.101 CCOC(=O)NCC(=O)CCCF 1458a_100000190774_100011934791 [1,1,0,0,0,0|2,0,0]=4 658 B12R0.101 CCOC(=O)NCC(=O)CCCO 1458a_100000190774_100011215043 [1,1,0,0,0,0|2,0,0]=4 659 B12R0.101 CCOC(=O)NCC(=O)CCOC 1458a_100000190774_100000233755 [1,1,0,0,0,0|2,0,0]=4 660 B12R0.101 CCOC(=O)NCC(=O)CCSC 1458a_100000190774_100000751147 [1,1,0,0,0,0|2,0,0]=4 661 B12R0.101 CCOC(=O)NCC(=O)NCCF 11a_100000724931_100000190774 [1,1,0,0,0,0|2,0,0]=4 662 B12R0.101 CCOC(=O)NCC(=O)NCCF 1626a_100000724931_100000190774 [1,1,0,0,0,0|2,0,0]=4 663 B12R0.101 CCOC(=O)NCC(=O)NCCF 240690a_100000724931_100000190774 [1,1,0,0,0,0|2,0,0]=4 664 B12R0.101 CCOC(=O)NCC(=O)NCCF 527a_100000724931_100000190774 [1,1,0,0,0,0|2,0,0]=4 665 B12R0.101 CCOC(=O)NCC(=O)NCCO 240690a_100000210304_100000190774 [1,1,0,0,0,0|2,0,0]=4 666 B12R0.101 CCOC(=O)NCC(=O)NCCO 527a_100000210304_100000190774 [1,1,0,0,0,0|2,0,0]=4 667 B12R0.101 CCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000211967 [1,1,0,0,0,0|1,0,0]=3 668 B12R0.101 CCOCC(=O)NCC(=O)OCC 34a_100121572206_100011215850 [1,1,0,0,0,0|1,0,0]=3 669 B12R0.101 CCOCN(C)CCC(=O)OCC 269982a_100000745921_100000739092 [1,1,0,0,0,0|2,0,0]=4 670 B12R0.272 C=C(C)CC(=O)CCC(=O)OCC 1458a_100000183558_100000748629 [1,1,0,0,0,0|1,0,1]=4 671 B12R0.272 CC#CC(=O)CCC(=O)OC(C)C 1458a_100000763181_100000760027 [1,1,0,0,0,0|1,0,1]=4 672 B12R0.272 CC(C)OC(=O)CCC(=O)CCO 1458a_100011216618_100000760027 [1,1,0,0,0,0|2,0,0]=4 673 B12R0.272 CC=CC(=O)CCC(=O)OC(C)C 1458a_100000210699_100000760027 [1,1,0,0,0,0|1,0,1]=4 674 B12R0.272 CCCC(=O)CCC(=O)NC(C)C 1458a_100000211992_100000737564 [1,1,0,0,0,0|2,0,0]=4 675 B12R0.272 CCCC(=O)CCC(=O)OC(C)C 1458a_100000211992_100000760027 [1,1,0,0,0,0|1,0,0]=3 676 B12R0.272 CCCC(=O)COC(=O)OC(C)C 1458a_100000211992_100000003507 [1,1,0,0,0,0|2,0,0]=4 677 B12R0.272 CCNC(=O)CCC(=O)CC(C)C 1458a_100000199579_100000210624 [1,1,0,0,0,0|2,0,0]=4 678 B12R0.272 CCNC(=O)CCC(=O)CC(C)O 1458a_100000199579_100011218427 [1,1,0,0,0,0|2,0,0]=4 679 B12R0.272 CCNC(=O)CCC(=O)NC(C)C 11a_100138425928_100000199579 [1,1,0,0,0,0|2,0,0]=4 680 B12R0.272 CCNC(=O)CCC(=O)NC(C)C 1626a_100138425928_100000199579 [1,1,0,0,0,0|2,0,0]=4 681 B12R0.272 CCNC(=O)CCC(=O)NC(C)C 240690a_100138425928_100000199579 [1,1,0,0,0,0|2,0,0]=4 682 B12R0.272 CCOC(=O)CCC(=O)CC(C)C 1458a_100000183558_100000210624 [1,1,0,0,0,0|1,0,0]=3 683 B12R0.272 CCOC(=O)CCC(=O)CC(C)O 1458a_100000183558_100011218427 [1,1,0,0,0,0|1,0,0]=3 684 B12R0.272 CCOC(=O)CCC(=O)CC(F)F 1458a_100000183558_100011934356 [1,1,0,0,0,0|2,0,0]=4 685 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 11a_100138425928_100000183558 [1,1,0,0,0,0|1,0,0]=3 686 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 1626a_100138425928_100000183558 [1,1,0,0,0,0|1,0,0]=3 687 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 240690a_100138425928_100000183558 [1,1,0,0,0,0|1,0,0]=3 688 B12R0.272 CCOC(=O)CCC(C)OC(C)C 34a_100000212225_100000748298 [1,1,0,0,0,0|1,0,1]=4 689 B12R0.272 CCOC(=O)CNC(=O)CC(C)C 188690a_100000741813_100000210554 [1,1,0,0,0,0|2,0,0]=4 690 B12R0.272 CCOC(=O)CNC(=O)C[C@@H](C)O 188690a_100000741813_100011933948 [1,1,0,0,0,0|2,0,0]=4 691 B12R0.272 CCOC(=O)NCC(=O)CC(C)C 1458a_100000190774_100000210624 [1,1,0,0,0,0|2,0,0]=4 692 B12R0.272 CCOC(=O)NCC(=O)CC(C)O 1458a_100000190774_100011218427 [1,1,0,0,0,0|2,0,0]=4 693 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 11a_100138425928_100000190774 [1,1,0,0,0,0|2,0,0]=4 694 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000190774 [1,1,0,0,0,0|2,0,0]=4 695 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000190774 [1,1,0,0,0,0|2,0,0]=4 696 B12R0.272 CCOC(=O)NCC(=O)NC(C)C 527a_100138425928_100000190774 [1,1,0,0,0,0|2,0,0]=4 697 B12R0.272 COCC(=O)CCC(=O)OC(C)C 1458a_100000210968_100000760027 [1,1,0,0,0,0|2,0,0]=4 698 B12R0.272 CSCC(=O)CCC(=O)OC(C)C 1458a_100000184570_100000760027 [1,1,0,0,0,0|2,0,0]=4 699 B12R0.114 CC/C=C\COC(C)C(=O)OCC 34a_100016268518_100011216346 [1,1,0,0,0,0|2,0,0]=4 700 B12R0.114 CC/C=C\COC(F)C(=O)OCC 34a_100016268518_100000760018 [1,1,0,0,0,0|2,0,0]=4 701 B12R0.114 CC/C=C\CO[C@@H](C)C(=O)OCC 7a_100000751109_100103147603 [1,1,0,0,0,0|2,0,0]=4 702 B12R0.114 CC/C=C\CSC(C)C(=O)OCC 62a_100011216346_100103147603 [1,1,0,0,0,0|2,0,0]=4 703 B12R0.114 CC/C=C\CSC(C)C(=O)OCC 62a_100103147603_100011216346 [1,1,0,0,0,0|2,0,0]=4 704 B12R0.114 CC/C=C\CSC(F)C(=O)OCC 62a_100000760018_100103147603 [1,1,0,0,0,0|2,0,0]=4 705 B12R0.114 CC/C=C\CSC(F)C(=O)OCC 62a_100103147603_100000760018 [1,1,0,0,0,0|2,0,0]=4 706 B12R0.114 CCOCCNC(C)C(=O)OCC 2230a_102516460346_100011215307 [1,1,0,0,0,0|1,0,1]=4 707 B12R0.114 CCOCCNC(C)C(=O)OCC 34a_102516460346_100011216346 [1,1,0,0,0,0|1,0,1]=4 708 B12R0.114 CCOCCNC(F)C(=O)OCC 2230a_102516460346_100000760018 [1,1,0,0,0,0|1,0,1]=4 709 B12R0.114 CCOCCNC(F)C(=O)OCC 34a_102516460346_100000760018 [1,1,0,0,0,0|1,0,1]=4 710 B12R0.114 CCOCCOC(C)C(=O)OCC 34a_100000210136_100011216346 [1,1,0,0,0,0|1,0,1]=4 711 B12R0.114 CCOCCOC(C)C(=O)OCC 7a_100000210136_100011216346 [1,1,0,0,0,0|1,0,1]=4 712 B12R0.114 CCOCCOC(F)C(=O)OCC 34a_100000210136_100000760018 [1,1,0,0,0,0|1,0,1]=4 713 B12R0.114 CCOCCOC(F)C(=O)OCC 7a_100000210136_100000040065 [1,1,0,0,0,0|1,0,1]=4 714 B12R0.114 CCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215890 [1,1,0,0,0,0|1,0,1]=4 715 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100000210147_100011216346 [1,1,0,0,0,0|1,0,1]=4 716 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100011216346_100011215890 [1,1,0,0,0,0|1,0,1]=4 717 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000210147_100000760018 [1,1,0,0,0,0|1,0,1]=4 718 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000760018_100011215890 [1,1,0,0,0,0|1,0,1]=4 719 B12R0.363 CCCCCC(OC)C(=O)OCC 34a_100138415774_200009813352 [1,1,0,0,0,0|1,0,1]=4 720 B12R0.15 CCCC(=O)N[C@H](CO)C(=O)OC 188690a_100000003586_100000211992 [1,1,0,0,0,0|2,0,0]=4 721 B12R0.15 CCOC(=O)CN(CC)C(=O)CC 11a_100000220607_100000210414 [1,1,0,0,0,0|2,0,0]=4 722 B12R0.15 CCOC(=O)CN(CC)C(=O)CC 1626a_100000220607_100000210414 [1,1,0,0,0,0|2,0,0]=4 723 B12R0.15 CCOC(=O)CN(CC)C(=O)CC 240690a_100000220607_100000210414 [1,1,0,0,0,0|2,0,0]=4 724 B12R0.15 CCOC(=O)CN(CC)C(=O)CC 527a_100000220607_100000210414 [1,1,0,0,0,0|2,0,0]=4 725 B12R0.20 C=C(C)C(=O)C(C)CC(=O)OCC 1458a_100000185857_100009817359 [1,1,0,0,0,0|1,0,1]=4 726 B12R0.20 CCOC(=O)CC(C)C(=O)C(C)C 1458a_100000210198_100009817359 [1,1,0,0,0,0|1,0,0]=3 727 B12R0.20 CCOC(=O)CC(C)C(=O)C(C)F 1458a_100000062450_100009817359 [1,1,0,0,0,0|1,0,0]=3 728 B12R0.20 CCOC(=O)CC(C)C(=O)C(O)O 1458a_100000233687_100009817359 [1,1,0,0,0,0|2,0,0]=4 729 B12R0.20 CCOC(=O)CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100009817359 [1,1,0,0,0,0|1,0,0]=3 730 B12R0.20 CCOC(=O)CC(C)C(=O)[C@H](C)O 1458a_217856618621_100009817359 [1,1,0,0,0,0|1,0,0]=3 731 B12R0.20 CCOC(=O)CN(C)C(=O)C(C)C 11a_100000220588_100000210198 [1,1,0,0,0,0|2,0,0]=4 732 B12R0.20 CCOC(=O)CN(C)C(=O)C(C)C 1626a_100000220588_100000210198 [1,1,0,0,0,0|2,0,0]=4 733 B12R0.20 CCOC(=O)CN(C)C(=O)C(C)C 240690a_100000220588_100000210198 [1,1,0,0,0,0|2,0,0]=4 734 B12R0.20 CCOC(=O)CN(C)C(=O)C(C)C 527a_100000220588_100000210198 [1,1,0,0,0,0|2,0,0]=4 735 B12R0.20 CCOC(=O)CN(C)C(=O)C(C)F 11a_100000220588_100000062450 [1,1,0,0,0,0|2,0,0]=4 736 B12R0.20 CCOC(=O)CN(C)C(=O)C(C)F 1626a_100000220588_100000062450 [1,1,0,0,0,0|2,0,0]=4 737 B12R0.20 CCOC(=O)CN(C)C(=O)C(C)F 240690a_100000220588_100000062450 [1,1,0,0,0,0|2,0,0]=4 738 B12R0.20 CCOC(=O)CN(C)C(=O)C(C)F 527a_100000220588_100000062450 [1,1,0,0,0,0|2,0,0]=4 739 B12R0.20 CCOC(=O)CN(C)C(=O)[C@@H](C)O 240690a_100000220588_100000717761 [1,1,0,0,0,0|2,0,0]=4 740 B12R0.20 CCOC(=O)CN(C)C(=O)[C@H](C)O 1626a_100000220588_217856618621 [1,1,0,0,0,0|2,0,0]=4 741 B12R0.20 CCOC(=O)CN(C)C(=O)[C@H](C)O 240690a_100000220588_217856618621 [1,1,0,0,0,0|2,0,0]=4 742 B12R0.563 CCC(=O)C(C)OC(=O)OC(C)C 1458a_100000210414_100000067433 [1,1,0,0,0,0|2,0,0]=4 743 B12R0.746 CCCC(=O)CC(C)(C)C(=O)OC 1458a_100000106591_100000210303 [1,1,0,0,0,0|2,0,0]=4 744 B12R0.746 CCNC(=O)CC(C)(C)C(=O)OC 11a_100015525214_100000106591 [1,1,0,0,0,0|2,0,0]=4 745 B12R0.746 CCNC(=O)CC(C)(C)C(=O)OC 240690a_100015525214_100000106591 [1,1,0,0,0,0|2,0,0]=4 746 B12R0.746 CCNC(=O)CC(C)(C)C(=O)OC 527a_100015525214_100000106591 [1,1,0,0,0,0|2,0,0]=4 747 B12R0.8 CCCC(=O)C(CC)C(=O)OCC 1458a_100000211992_100000212269 [0,1,0,0,1,0|2,0,0]=4 748 B12R0.8 CCCC(=O)C(SC)C(=O)OCC 1458a_100000211992_100009893047 [0,1,0,0,1,0|1,1,0]=4 749 B12R0.8 CCOC(=O)C(NC)C(=O)OCC 34a_100102657272_100000243710 [0,1,0,0,1,0|1,0,0]=3 750 B12R0.8 CCOC(=O)C(OC)C(=O)OCC 34a_100138415774_100000243710 [0,1,0,0,1,0|0,0,0]=2 751 B12R0.8 CCOC(=O)C(SC)C(=O)OCC 62a_100000243710_200000210301 [0,1,0,0,1,0|0,1,0]=3 752 B12R0.8 CCOC(=O)C(SC)C(=O)OCC 62a_200000210301_100000243710 [0,1,0,0,1,0|0,1,0]=3 753 B12R0.8 CCOC(=O)C(S[13CH3])C(=O)OCC 62a_100000243710_200025704644 [0,1,0,0,1,0|0,1,0]=3 754 B12R0.8 CCOC(=O)C(S[13CH3])C(=O)OCC 62a_200025704644_100000243710 [0,1,0,0,1,0|0,1,0]=3 755 B12R0.191 CCOC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100011216346 [0,1,0,0,1,0|2,0,0]=4 756 B12R0.191 CCOC(=O)C(C)C(=O)CC(C)C 1458a_100132301724_100000210624 [0,1,0,0,1,0|2,0,0]=4 757 B12R0.191 CCOC(=O)C(C)C(=O)CC(C)O 1458a_100132301724_100011218427 [0,1,0,0,1,0|2,0,0]=4 758 B12R0.191 CCOC(=O)C(C)C(=O)C[C@@H](C)O 1458a_100011933948_100011216346 [0,1,0,0,1,0|2,0,0]=4 759 B12R0.191 CCOC(=O)C(C)C(=O)NC(C)C 11a_100138425928_100132301724 [0,1,0,0,1,0|2,0,0]=4 760 B12R0.191 CCOC(=O)C(C)C(=O)NC(C)C 1626a_100138425928_100132301724 [0,1,0,0,1,0|2,0,0]=4 761 B12R0.191 CCOC(=O)C(C)C(=O)NC(C)C 240690a_100138425928_100132301724 [0,1,0,0,1,0|2,0,0]=4 762 B12R0.191 CCOC(=O)C(C)C(=O)NC(C)C 527a_100138425928_100132301724 [0,1,0,0,1,0|2,0,0]=4 763 B12R0.191 CCOC(=O)C(F)C(=O)CC(C)C 1458a_100000210554_100000760018 [0,1,0,0,1,0|2,0,0]=4 764 B12R0.191 CCOC(=O)C(F)C(=O)C[C@@H](C)O 1458a_100011933948_100000760018 [0,1,0,0,1,0|2,0,0]=4 765 B12R0.731 CCCC(=O)C(C)(C)C(=O)OCC 1458a_100000694683_100000210303 [0,1,0,0,1,0|2,0,0]=4 766 B12R0.731 CCCC(=O)C(C)(O)C(=O)OCC 1458a_200009913003_100000210303 [0,1,0,0,1,0|1,0,0]=3 767 B12R0.731 CCNC(=O)C(C)(C)C(=O)OCC 11a_100015525214_100000694683 [0,1,0,0,1,0|2,0,0]=4 768 B12R0.731 CCNC(=O)C(C)(C)C(=O)OCC 240690a_100015525214_100000694683 [0,1,0,0,1,0|2,0,0]=4 769 B12R0.731 CCNC(=O)C(C)(C)C(=O)OCC 527a_100015525214_100000694683 [0,1,0,0,1,0|2,0,0]=4 770 B12R0.731 CCNC(=O)C(C)(O)C(=O)OCC 240690a_100015525214_200009913003 [0,1,0,0,1,0|1,0,0]=3 771 B12R0.731 CCOC(=O)C(C)(O)C(=O)CCF 1458a_200009913003_100011217306 [0,1,0,0,1,0|2,0,0]=4 772 B12R0.731 CCOC(=O)C(C)(O)C(=O)CCO 1458a_200009913003_100000211926 [0,1,0,0,1,0|2,0,0]=4 773 B12R0.731 CCOC(=O)C(C)(O)C(=O)NNC 22a_100016993582_200009913003 [0,1,0,0,1,0|2,0,0]=4 774 B14R0.207 C=C(CSC(C)C(=O)OCC)OCOC 62a_100000042856_100011216346 [0,1,0,0,0,1|2,0,0]=4 775 B14R0.207 C=C(CSC(C)C(=O)OCC)OCOC 62a_100011216346_100000042856 [0,1,0,0,0,1|2,0,0]=4 776 B14R0.207 C=C(CSC(F)C(=O)OCC)OCOC 62a_100000042856_100000760018 [0,1,0,0,0,1|2,0,0]=4 777 B14R0.207 C=C(CSC(F)C(=O)OCC)OCOC 62a_100000760018_100000042856 [0,1,0,0,0,1|2,0,0]=4 778 B14R0.207 C=CCOC(=O)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000033060 [0,1,0,0,0,1|1,0,1]=4 779 B14R0.207 C=CCOC(=O)CSC(C)C(=O)OCC 62a_100000033060_100011216346 [0,1,0,0,0,1|1,0,1]=4 780 B14R0.207 C=CCOC(=O)CSC(C)C(=O)OCC 62a_100011216346_100000033060 [0,1,0,0,0,1|1,0,1]=4 781 B14R0.207 C=CCOC(=O)CSC(F)C(=O)OCC 62a_100000033060_100000760018 [0,1,0,0,0,1|1,0,1]=4 782 B14R0.207 C=CCOC(=O)CSC(F)C(=O)OCC 62a_100000760018_100000033060 [0,1,0,0,0,1|1,0,1]=4 783 B14R0.207 CCCNC(=O)CNC(C)C(=O)OCC 2230a_100000174927_100011215307 [0,1,0,0,0,1|2,0,0]=4 784 B14R0.207 CCCNC(=O)CNC(F)C(=O)OCC 2230a_100000174927_100000760018 [0,1,0,0,0,1|2,0,0]=4 785 B14R0.207 CCCNC(=O)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000183358 [0,1,0,0,0,1|2,0,0]=4 786 B14R0.207 CCCNC(=O)CSC(C)C(=O)OCC 62a_100000183358_100011216346 [0,1,0,0,0,1|2,0,0]=4 787 B14R0.207 CCCNC(=O)CSC(C)C(=O)OCC 62a_100011216346_100000183358 [0,1,0,0,0,1|2,0,0]=4 788 B14R0.207 CCCNC(=O)CSC(F)C(=O)OCC 62a_100000183358_100000760018 [0,1,0,0,0,1|2,0,0]=4 789 B14R0.207 CCCNC(=O)CSC(F)C(=O)OCC 62a_100000760018_100000183358 [0,1,0,0,0,1|2,0,0]=4 790 B14R0.207 CCCOC(=O)CNC(C)C(=O)NCC 2230a_100000736553_200011215008 [0,1,0,0,0,1|2,0,0]=4 791 B14R0.207 CCCOC(=O)CNC(C)C(=O)NCC 34a_100000736553_200011215008 [0,1,0,0,0,1|2,0,0]=4 792 B14R0.207 CCCOC(=O)CN[C@@H](C)C(=O)SCC 2230a_100103168634_200011215008 [0,1,0,0,0,1|1,1,0]=4 793 B14R0.207 CCCOC(=O)CO[C@@H](C)C(=O)OCC 7a_100000751109_200011215008 [0,1,0,0,0,1|1,0,0]=3 794 B14R0.207 CCCOC(=O)CSC(C)C(=O)NCC 62a_100000230173_200011215008 [0,1,0,0,0,1|2,0,0]=4 795 B14R0.207 CCCOC(=O)CSC(C)C(=O)NCC 62a_200011215008_100000230173 [0,1,0,0,0,1|2,0,0]=4 796 B14R0.207 CCCOC(=O)CSC(C)C(=O)OCC 62a_100011216346_200011215008 [0,1,0,0,0,1|1,0,0]=3 797 B14R0.207 CCCOC(=O)CSC(C)C(=O)OCC 62a_200011215008_100011216346 [0,1,0,0,0,1|1,0,0]=3 798 B14R0.207 CCCOC(=O)CSC(F)C(=O)OCC 62a_100000760018_200011215008 [0,1,0,0,0,1|1,0,0]=3 799 B14R0.207 CCCOC(=O)CSC(F)C(=O)OCC 62a_200011215008_100000760018 [0,1,0,0,0,1|1,0,0]=3 800 B14R0.207 CCOC(=O)C(C)NCC(=O)NCCF 2230a_100000725713_100011215307 [0,1,0,0,0,1|2,0,0]=4 801 B14R0.207 CCOC(=O)C(F)NCC(=O)NCCF 2230a_100000725713_100000760018 [0,1,0,0,0,1|2,0,0]=4 802 B14R0.311 CCNC(=O)C(C)NCC(=O)OC(C)C 2230a_100000736553_100011215430 [0,1,0,0,0,1|2,0,0]=4 803 B14R0.311 CCNC(=O)C(C)NCC(=O)OC(C)C 34a_100000736553_100011215430 [0,1,0,0,0,1|2,0,0]=4 804 B14R0.311 CCNC(=O)C(C)SCC(=O)OC(C)C 62a_100000230173_100011215430 [0,1,0,0,0,1|2,0,0]=4 805 B14R0.311 CCNC(=O)C(C)SCC(=O)OC(C)C 62a_100011215430_100000230173 [0,1,0,0,0,1|2,0,0]=4 806 B14R0.311 CCOC(=O)C(C)NCC(=O)NC(C)C 2230a_100000168517_100011215307 [0,1,0,0,0,1|2,0,0]=4 807 B14R0.311 CCOC(=O)C(C)SCC(=O)NC(C)C 62a_100000183996_100011216346 [0,1,0,0,0,1|2,0,0]=4 808 B14R0.311 CCOC(=O)C(C)SCC(=O)NC(C)C 62a_100011216346_100000183996 [0,1,0,0,0,1|2,0,0]=4 809 B14R0.311 CCOC(=O)C(C)SCC(=O)OC(C)C 62a_100011215430_100011216346 [0,1,0,0,0,1|1,0,0]=3 810 B14R0.311 CCOC(=O)C(C)SCC(=O)OC(C)C 62a_100011216346_100011215430 [0,1,0,0,0,1|1,0,0]=3 811 B14R0.311 CCOC(=O)C(F)NCC(=O)NC(C)C 2230a_100000168517_100000760018 [0,1,0,0,0,1|2,0,0]=4 812 B14R0.311 CCOC(=O)C(F)SCC(=O)NC(C)C 62a_100000183996_100000760018 [0,1,0,0,0,1|2,0,0]=4 813 B14R0.311 CCOC(=O)C(F)SCC(=O)NC(C)C 62a_100000760018_100000183996 [0,1,0,0,0,1|2,0,0]=4 814 B14R0.311 CCOC(=O)C(F)SCC(=O)OC(C)C 62a_100000760018_100011215430 [0,1,0,0,0,1|1,0,0]=3 815 B14R0.311 CCOC(=O)C(F)SCC(=O)OC(C)C 62a_100011215430_100000760018 [0,1,0,0,0,1|1,0,0]=3 816 B14R0.311 CCOC(=O)[C@H](C)OCC(=O)NC(C)C 7a_100000751109_100000183996 [0,1,0,0,0,1|2,0,0]=4 817 B14R0.311 CCOC(=O)[C@H](C)OCC(=O)OC(C)C 7a_100000751109_100011215430 [0,1,0,0,0,1|1,0,0]=3 818 B14R0.311 CCSC(=O)[C@H](C)NCC(=O)OC(C)C 2230a_100103168634_100011215430 [0,1,0,0,0,1|1,1,0]=4 819 B14R0.316 CCNC(=O)C(C)NC(C)C(=O)OCC 2230a_100000736553_100011215307 [0,1,0,0,0,1|2,0,0]=4 820 B14R0.316 CCNC(=O)C(C)NC(C)C(=O)OCC 34a_100000736553_100011216346 [0,1,0,0,0,1|2,0,0]=4 821 B14R0.316 CCNC(=O)C(C)NC(F)C(=O)OCC 2230a_100000736553_100000760018 [0,1,0,0,0,1|2,0,0]=4 822 B14R0.316 CCNC(=O)C(C)NC(F)C(=O)OCC 34a_100000736553_100000760018 [0,1,0,0,0,1|2,0,0]=4 823 B14R0.316 CCNC(=O)C(C)O[C@@H](C)C(=O)OCC 7a_100000751109_100000230173 [0,1,0,0,0,1|2,0,0]=4 824 B14R0.316 CCNC(=O)C(C)SC(C)C(=O)OCC 62a_100000230173_100011216346 [0,1,0,0,0,1|2,0,0]=4 825 B14R0.316 CCNC(=O)C(C)SC(C)C(=O)OCC 62a_100011216346_100000230173 [0,1,0,0,0,1|2,0,0]=4 826 B14R0.316 CCNC(=O)C(C)SC(F)C(=O)OCC 62a_100000230173_100000760018 [0,1,0,0,0,1|2,0,0]=4 827 B14R0.316 CCNC(=O)C(C)SC(F)C(=O)OCC 62a_100000760018_100000230173 [0,1,0,0,0,1|2,0,0]=4 828 B14R0.316 CCOC(=O)C(C)N[C@@H](C)C(=O)SCC 2230a_100103168634_100011215307 [0,1,0,0,0,1|1,1,0]=4 829 B14R0.316 CCOC(=O)C(C)O[C@@H](C)C(=O)OCC 7a_100000751109_100011216346 [0,1,0,0,0,1|1,0,0]=3 830 B14R0.316 CCOC(=O)C(C)SC(C)C(=O)OCC 62a_100011216346_100011216346 [0,1,0,0,0,1|1,0,0]=3 831 B14R0.316 CCOC(=O)C(C)SC(F)C(=O)OCC 62a_100000760018_100011216346 [0,1,0,0,0,1|1,0,0]=3 832 B14R0.316 CCOC(=O)C(C)SC(F)C(=O)OCC 62a_100011216346_100000760018 [0,1,0,0,0,1|1,0,0]=3 833 B14R0.316 CCOC(=O)C(F)N[C@@H](C)C(=O)SCC 2230a_100103168634_100000760018 [0,1,0,0,0,1|1,1,0]=4 834 B14R0.316 CCOC(=O)C(F)O[C@@H](C)C(=O)OCC 7a_100000751109_100000040065 [0,1,0,0,0,1|1,0,0]=3 835 B14R0.316 CCOC(=O)C(F)SC(F)C(=O)OCC 62a_100000760018_100000760018 [0,1,0,0,0,1|1,0,0]=3 836 B14R0.326 CCOC(=O)C(C)SCC(=O)N(C)CC 62a_100000738999_100011216346 [0,1,0,0,0,1|2,0,0]=4 837 B14R0.326 CCOC(=O)C(C)SCC(=O)N(C)CC 62a_100011216346_100000738999 [0,1,0,0,0,1|2,0,0]=4 838 B14R0.326 CCOC(=O)C(F)SCC(=O)N(C)CC 62a_100000738999_100000760018 [0,1,0,0,0,1|2,0,0]=4 839 B14R0.326 CCOC(=O)C(F)SCC(=O)N(C)CC 62a_100000760018_100000738999 [0,1,0,0,0,1|2,0,0]=4 840 B14R0.326 CCOC(=O)[C@H](C)OCC(=O)N(C)CC 7a_100000751109_100000738999 [0,1,0,0,0,1|2,0,0]=4 841 B14R0.597 CCC#CC(=O)C(C)CCC(=O)OCC 1458a_100011827653_100000748298 [0,1,0,0,0,1|2,0,0]=4 842 B14R0.597 CCC=CC(=O)C(C)CCC(=O)OCC 1458a_100000212282_100000748298 [0,1,0,0,0,1|2,0,0]=4 843 B14R0.597 CCCCC(=O)C(C)CCC(=O)OCC 1458a_100000210183_100000748298 [0,1,0,0,0,1|2,0,0]=4 844 B14R0.597 CCCNC(=O)C(C)NCC(=O)OCC 2230a_100025744714_100000188475 [0,1,0,0,0,1|2,0,0]=4 845 B14R0.597 CCCNC(=O)C(C)NCC(=O)OCC 34a_100025744714_100000188475 [0,1,0,0,0,1|2,0,0]=4 846 B14R0.597 CCCNC(=O)C(C)SCC(=O)OCC 62a_100000188475_100000230305 [0,1,0,0,0,1|2,0,0]=4 847 B14R0.597 CCCNC(=O)C(C)SCC(=O)OCC 62a_100000230305_100000188475 [0,1,0,0,0,1|2,0,0]=4 848 B14R0.597 CCCOC(=O)C(C)NCC(=O)NCC 2230a_100016988866_100000760410 [0,1,0,0,0,1|2,0,0]=4 849 B14R0.597 CCCOC(=O)C(C)OCC(=O)CCC 7a_100000037348_100000747444 [0,1,0,0,0,1|2,0,0]=4 850 B14R0.597 CCCOC(=O)C(C)OCC(=O)NCC 34a_100000037348_100000183381 [0,1,0,0,0,1|2,0,0]=4 851 B14R0.597 CCCOC(=O)C(C)OCC(=O)NCC 7a_100000037348_100000183381 [0,1,0,0,0,1|2,0,0]=4 852 B14R0.597 CCCOC(=O)C(C)OCC(=O)OCC 34a_100000037348_100000188475 [0,1,0,0,0,1|1,0,0]=3 853 B14R0.597 CCCOC(=O)C(C)OCC(=O)OCC 7a_100000037348_100000188475 [0,1,0,0,0,1|1,0,0]=3 854 B14R0.597 CCCOC(=O)C(C)SCC(=O)CCC 62a_100000747444_100000760410 [0,1,0,0,0,1|2,0,0]=4 855 B14R0.597 CCCOC(=O)C(C)SCC(=O)CCC 62a_100000760410_100000747444 [0,1,0,0,0,1|2,0,0]=4 856 B14R0.597 CCCOC(=O)C(C)SCC(=O)NCC 62a_100000183381_100000760410 [0,1,0,0,0,1|2,0,0]=4 857 B14R0.597 CCCOC(=O)C(C)SCC(=O)NCC 62a_100000760410_100000183381 [0,1,0,0,0,1|2,0,0]=4 858 B14R0.597 CCCOC(=O)C(C)SCC(=O)OCC 62a_100000188475_100000760410 [0,1,0,0,0,1|1,0,0]=3 859 B14R0.597 CCCOC(=O)C(C)SCC(=O)OCC 62a_100000760410_100000188475 [0,1,0,0,0,1|1,0,0]=3 860 B14R0.597 CCOC(=O)CCC(C)C(=O)CCOC 1458a_100000749529_100000748298 [0,1,0,0,0,1|2,0,0]=4 861 B14R0.597 CCOC(=O)CCC(C)C(=O)CCSC 1458a_100000174002_100000748298 [0,1,0,0,0,1|2,0,0]=4 862 B14R0.597 CCOC(=O)CCC(C)C(=O)CSCC 1458a_100000230394_100000748298 [0,1,0,0,0,1|1,1,0]=4 863 B14R0.597 CCOCC(=O)C(C)CCC(=O)OCC 1458a_100000211967_100000748298 [0,1,0,0,0,1|1,0,0]=3 864 B14R0.597 CCOCC(=O)N(C)CCC(=O)OCC 11a_100000745921_100000211967 [0,1,0,0,0,1|2,0,0]=4 865 B14R0.597 CCOCC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000211967 [0,1,0,0,0,1|2,0,0]=4 866 B14R0.597 CCOCC(=O)N(C)CCC(=O)OCC 240690a_100000745921_100000211967 [0,1,0,0,0,1|2,0,0]=4 867 B14R0.597 CCOCC(=O)N(C)CCC(=O)OCC 527a_100000745921_100000211967 [0,1,0,0,0,1|2,0,0]=4 868 B14R0.695 CCOC(=O)CCC(C)C(=O)C(C)CC 1458a_100011192722_100000748298 [0,1,0,0,0,1|2,0,0]=4 869 B14R0.695 CCOC(=O)CCC(C)C(=O)C(O)CC 1458a_100011196387_100000748298 [0,1,0,0,0,1|2,0,0]=4 870 B14R0.695 CCOC(=O)CSC(C)C(=O)N(C)CC 62a_100000188475_200012002205 [0,1,0,0,0,1|2,0,0]=4 871 B14R0.695 CCOC(=O)CSC(C)C(=O)N(C)CC 62a_200012002205_100000188475 [0,1,0,0,0,1|2,0,0]=4 872 B14R0.719 CCCC(=O)COC(C)(C)C(=O)OCC 7a_100000686869_100000747444 [0,1,0,0,0,1|2,0,0]=4 873 B14R0.719 CCCC(=O)CSC(C)(C)C(=O)OCC 62a_100000747444_100011216345 [0,1,0,0,0,1|2,0,0]=4 874 B14R0.719 CCCC(=O)CSC(C)(C)C(=O)OCC 62a_100011216345_100000747444 [0,1,0,0,0,1|2,0,0]=4 875 B14R0.719 CCCC(=O)CSC(F)(F)C(=O)OCC 62a_100000210910_100000747444 [0,1,0,0,0,1|2,0,0]=4 876 B14R0.719 CCCC(=O)CSC(F)(F)C(=O)OCC 62a_100000747444_100000210910 [0,1,0,0,0,1|2,0,0]=4 877 B14R0.719 CCCC(=O)NCC(C)(C)C(=O)OCC 188690a_100016995041_100000211992 [0,1,0,0,0,1|2,0,0]=4 878 B14R0.719 CCCC(=O)NCC(F)(F)C(=O)OCC 188690a_100020587217_100000211992 [0,1,0,0,0,1|2,0,0]=4 879 B14R0.719 CCNC(=O)CNC(C)(C)C(=O)OCC 2230a_100016988866_100011216345 [0,1,0,0,0,1|2,0,0]=4 880 B14R0.719 CCNC(=O)COC(C)(C)C(=O)OCC 34a_100000686869_100000183381 [0,1,0,0,0,1|2,0,0]=4 881 B14R0.719 CCNC(=O)COC(C)(C)C(=O)OCC 7a_100000686869_100000183381 [0,1,0,0,0,1|2,0,0]=4 882 B14R0.719 CCNC(=O)CSC(C)(C)C(=O)OCC 62a_100000183381_100011216345 [0,1,0,0,0,1|2,0,0]=4 883 B14R0.719 CCNC(=O)CSC(C)(C)C(=O)OCC 62a_100011216345_100000183381 [0,1,0,0,0,1|2,0,0]=4 884 B14R0.719 CCNC(=O)CSC(F)(F)C(=O)OCC 62a_100000183381_100000210910 [0,1,0,0,0,1|2,0,0]=4 885 B14R0.719 CCNC(=O)CSC(F)(F)C(=O)OCC 62a_100000210910_100000183381 [0,1,0,0,0,1|2,0,0]=4 886 B14R0.719 CCOC(=O)COC(C)(C)C(=O)OCC 34a_100000686869_100000188475 [0,1,0,0,0,1|1,0,0]=3 887 B14R0.719 CCOC(=O)COC(C)(C)C(=O)OCC 7a_100000686869_100000188475 [0,1,0,0,0,1|1,0,0]=3 888 B14R0.719 CCOC(=O)CSC(C)(C)C(=O)OCC 62a_100000188475_100011216345 [0,1,0,0,0,1|1,0,0]=3 889 B14R0.719 CCOC(=O)CSC(C)(C)C(=O)OCC 62a_100011216345_100000188475 [0,1,0,0,0,1|1,0,0]=3 890 B14R0.719 CCOC(=O)CSC(F)(F)C(=O)OCC 62a_100000188475_100000210910 [0,1,0,0,0,1|1,0,0]=3 891 B14R0.719 CCOC(=O)CSC(F)(F)C(=O)OCC 62a_100000210910_100000188475 [0,1,0,0,0,1|1,0,0]=3 892 B14R0.2406 CCCC(=O)CO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000747444 [0,1,0,0,0,1|2,0,0]=4 893 B14R0.2406 CCNC(=O)CO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000183381 [0,1,0,0,0,1|2,0,0]=4 894 B14R0.2406 CCNC(=O)CO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000183381 [0,1,0,0,0,1|2,0,0]=4 895 B14R0.2406 CCOC(=O)CCC(C)C(=O)CC(C)C 1458a_100000210554_100000748298 [0,1,0,0,0,1|2,0,0]=4 896 B14R0.2406 CCOC(=O)CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000748298 [0,1,0,0,0,1|2,0,0]=4 897 B14R0.2406 CCOC(=O)CNC(C)C(=O)NC(C)C 2230a_100015205314_100000188475 [0,1,0,0,0,1|2,0,0]=4 898 B14R0.2406 CCOC(=O)CNC(C)C(=O)NC(C)C 34a_100015205314_100000188475 [0,1,0,0,0,1|2,0,0]=4 899 B14R0.2406 CCOC(=O)CO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000188475 [0,1,0,0,0,1|1,0,0]=3 900 B14R0.2406 CCOC(=O)CO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000188475 [0,1,0,0,0,1|1,0,0]=3 901 B14R0.2406 CCOC(=O)CSC(C)C(=O)NC(C)C 62a_100000188475_100000195394 [0,1,0,0,0,1|2,0,0]=4 902 B14R0.2406 CCOC(=O)CSC(C)C(=O)NC(C)C 62a_100000195394_100000188475 [0,1,0,0,0,1|2,0,0]=4 903 B14R0.2860 CCCC(=O)COC(CC)C(=O)OCC 7a_100011216719_100000747444 [0,1,0,0,0,1|2,0,0]=4 904 B14R0.2860 CCCC(=O)CSC(C=O)C(=O)OCC 62a_100000053139_100000747444 [0,1,0,0,0,1|1,0,1]=4 905 B14R0.2860 CCCC(=O)CSC(C=O)C(=O)OCC 62a_100000747444_100000053139 [0,1,0,0,0,1|1,0,1]=4 906 B14R0.2860 CCCC(=O)CSC(CC)C(=O)OCC 62a_100000212269_100000747444 [0,1,0,0,0,1|2,0,0]=4 907 B14R0.2860 CCCC(=O)CSC(CC)C(=O)OCC 62a_100000747444_100000212269 [0,1,0,0,0,1|2,0,0]=4 908 B14R0.2860 CCCC(=O)CSC(SC)C(=O)OCC 62a_100000747444_100009893047 [0,1,0,0,0,1|1,1,0]=4 909 B14R0.2860 CCCC(=O)CSC(SC)C(=O)OCC 62a_100009893047_100000747444 [0,1,0,0,0,1|1,1,0]=4 910 B14R0.2860 CCNC(=O)CNC(CC)C(=O)OCC 2230a_100016988866_100000212269 [0,1,0,0,0,1|2,0,0]=4 911 B14R0.2860 CCNC(=O)COC(CC)C(=O)OCC 34a_100011216719_100000183381 [0,1,0,0,0,1|2,0,0]=4 912 B14R0.2860 CCNC(=O)COC(CC)C(=O)OCC 7a_100011216719_100000183381 [0,1,0,0,0,1|2,0,0]=4 913 B14R0.2860 CCNC(=O)CSC(C=O)C(=O)OCC 62a_100000053139_100000183381 [0,1,0,0,0,1|1,0,1]=4 914 B14R0.2860 CCNC(=O)CSC(C=O)C(=O)OCC 62a_100000183381_100000053139 [0,1,0,0,0,1|1,0,1]=4 915 B14R0.2860 CCNC(=O)CSC(CC)C(=O)OCC 62a_100000183381_100000212269 [0,1,0,0,0,1|2,0,0]=4 916 B14R0.2860 CCNC(=O)CSC(CC)C(=O)OCC 62a_100000212269_100000183381 [0,1,0,0,0,1|2,0,0]=4 917 B14R0.2860 CCNC(=O)CSC(SC)C(=O)OCC 62a_100000183381_100009893047 [0,1,0,0,0,1|1,1,0]=4 918 B14R0.2860 CCNC(=O)CSC(SC)C(=O)OCC 62a_100009893047_100000183381 [0,1,0,0,0,1|1,1,0]=4 919 B14R0.2860 CCOC(=O)CCC(OC)C(=O)OCC 7a_200010072476_200000210301 [0,1,0,0,0,1|0,0,0]=2 920 B14R0.2860 CCOC(=O)CCC(O[13CH3])C(=O)OCC 7a_200010072476_200025704644 [0,1,0,0,0,1|0,0,0]=2 921 B14R0.2860 CCOC(=O)COC(CC)C(=O)OCC 34a_100011216719_100000188475 [0,1,0,0,0,1|1,0,0]=3 922 B14R0.2860 CCOC(=O)COC(CC)C(=O)OCC 7a_100011216719_100000188475 [0,1,0,0,0,1|1,0,0]=3 923 B14R0.2860 CCOC(=O)CSC(C=O)C(=O)OCC 62a_100000053139_100000188475 [0,1,0,0,0,1|0,0,1]=3 924 B14R0.2860 CCOC(=O)CSC(C=O)C(=O)OCC 62a_100000188475_100000053139 [0,1,0,0,0,1|0,0,1]=3 925 B14R0.2860 CCOC(=O)CSC(CC)C(=O)OCC 62a_100000188475_100000212269 [0,1,0,0,0,1|1,0,0]=3 926 B14R0.2860 CCOC(=O)CSC(CC)C(=O)OCC 62a_100000212269_100000188475 [0,1,0,0,0,1|1,0,0]=3 927 B14R0.2860 CCOC(=O)CSC(SC)C(=O)OCC 62a_100000188475_100009893047 [0,1,0,0,0,1|0,1,0]=3 928 B14R0.2860 CCOC(=O)CSC(SC)C(=O)OCC 62a_100009893047_100000188475 [0,1,0,0,0,1|0,1,0]=3 929 B14R0.2864 CCCC(=O)C(C)C(=O)CC(=O)OCC 1458a_100000211992_100010090504 [0,1,0,0,0,1|2,0,0]=4 930 B14R0.2864 CCCC(=O)CC(=O)C(C)C(=O)OCC 1458a_100132301724_100000747444 [0,1,0,0,0,1|2,0,0]=4 931 B14R0.2864 CCNC(=O)C(C)C(=O)CC(=O)OCC 1458a_100000243816_100000230173 [0,1,0,0,0,1|2,0,0]=4 932 B14R0.2864 CCNC(=O)C(C)N(C)CC(=O)OCC 2230a_100000220588_100000230173 [0,1,0,0,0,1|2,0,0]=4 933 B14R0.2864 CCNC(=O)CC(=O)C(C)C(=O)OCC 1458a_100132301724_100000183381 [0,1,0,0,0,1|2,0,0]=4 934 B14R0.2864 CCNC(=O)CN(C)C(C)C(=O)OCC 2230a_100000741943_100011215307 [0,1,0,0,0,1|2,0,0]=4 935 B14R0.2864 CCNC(=O)CN(C)C(C)C(=O)OCC 269982a_100000741943_100011216346 [0,1,0,0,0,1|2,0,0]=4 936 B14R0.2864 CCNC(=O)CN(C)C(F)C(=O)OCC 2230a_100000741943_100000760018 [0,1,0,0,0,1|2,0,0]=4 937 B14R0.2864 CCNC(=O)CN(C)C(F)C(=O)OCC 269982a_100000741943_100000760018 [0,1,0,0,0,1|2,0,0]=4 938 B14R0.2864 CCOC(=O)CC(=O)C(C)C(=O)OCC 1458a_100000243816_100011216346 [0,1,0,0,0,1|1,0,0]=3 939 B14R0.2864 CCOC(=O)CC(=O)C(C)C(=O)OCC 1458a_100132301724_100000188475 [0,1,0,0,0,1|1,0,0]=3 940 B14R0.2864 CCOC(=O)CC(=O)C(F)C(=O)OCC 1458a_100000243816_100000760018 [0,1,0,0,0,1|1,0,0]=3 941 B14R0.2864 CCOC(=O)CN(C)C(=O)C(=O)OCC 11a_100000220588_100014798877 [0,1,0,0,0,1|0,0,2]=4 942 B14R0.2864 CCOC(=O)CN(C)C(=O)C(=O)OCC 1626a_100000220588_100014798877 [0,1,0,0,0,1|0,0,2]=4 943 B14R0.2864 CCOC(=O)CN(C)C(=O)C(=O)OCC 240690a_100000220588_100014798877 [0,1,0,0,0,1|0,0,2]=4 944 B14R0.2864 CCOC(=O)CN(C)C(C)C(=O)OCC 2230a_100000220588_100011215307 [0,1,0,0,0,1|1,0,0]=3 945 B14R0.2864 CCOC(=O)CN(C)C(F)C(=O)OCC 2230a_100000220588_100000760018 [0,1,0,0,0,1|1,0,0]=3 946 B14R0.154 CCCCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000210183 [0,1,0,0,0,1|2,0,0]=4 947 B14R0.154 CCCOC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_200011215008 [0,1,0,0,0,1|0,0,2]=4 948 B14R0.154 CCCOC(=O)CN(C)CC(=O)OCC 2230a_100000220588_200011215008 [0,1,0,0,0,1|2,0,0]=4 949 B14R0.154 CCOC(=O)CC(C)NC(=O)CCOC 188690a_100000686176_100000749529 [0,1,0,0,0,1|2,0,0]=4 950 B14R0.154 CCOC(=O)CC(C)NC(=O)CCSC 188690a_100000686176_100000174002 [0,1,0,0,0,1|2,0,0]=4 951 B14R0.154 CCOC(=O)CC(C)NC(=O)CSCC 188690a_100000686176_100000230394 [0,1,0,0,0,1|1,1,0]=4 952 B14R0.154 CCOCC(=O)CC(=O)NC(=O)OCC 1458a_100000211967_100000010344 [0,1,0,0,0,1|0,0,2]=4 953 B14R0.154 CCOCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000211967 [0,1,0,0,0,1|1,0,0]=3 954 B14R0.390 CCOC(=O)CC(=O)CC(=O)OC(C)C 1458a_100000243816_100011215430 [0,1,0,0,0,1|0,0,2]=4 955 B14R0.390 CCOC(=O)CC(C)NC(=O)CC(C)C 188690a_100000686176_100000210554 [0,1,0,0,0,1|2,0,0]=4 956 B14R0.390 CCOC(=O)CC(C)NC(=O)C[C@@H](C)O 188690a_100000686176_100011933948 [0,1,0,0,0,1|2,0,0]=4 957 B14R0.390 CCOC(=O)CN(C)CC(=O)OC(C)C 2230a_100000220588_100011215430 [0,1,0,0,0,1|2,0,0]=4 958 B14R0.707 CCOC(=O)CC(CC(=O)OCC)OC 7a_100000034584_200000210301 [0,1,0,0,0,1|0,0,0]=2 959 B14R0.707 CCOC(=O)CC(CC(=O)OCC)O[13CH3] 7a_100000034584_200025704644 [0,1,0,0,0,1|0,0,0]=2 960 B14R0.707 CCOC(=O)CN(CC)CC(=O)OCC 2230a_100000220607_100000188475 [0,1,0,0,0,1|2,0,0]=4 961 B14R0.707 CCOC(=O)CN(CC)CC(=O)OCC 269982a_100000220607_100000188475 [0,1,0,0,0,1|2,0,0]=4 962 B14R0.722 CCCC(=O)NC(C)(C)CC(=O)OCC 188690a_100016987763_100000211992 [0,1,0,0,0,1|2,0,0]=4 963 B14R0.2872 CCOC(=O)CC(C)NC(=O)C(C)CC 188690a_100000686176_100011192722 [0,1,0,0,0,1|2,0,0]=4 964 B14R0.2872 CCOC(=O)CC(C)NC(=O)C(O)CC 188690a_100000686176_100011196387 [0,1,0,0,0,1|2,0,0]=4 965 B14R0.36 C=CC(C)CC(=O)C(C)CC(=O)OCC 1458a_100011934298_100009817359 [0,2,0,0,0,0|2,0,0]=4 966 B14R0.36 CCOC(=O)CC(C)C(=O)C=C(C)CC 1458a_100020758463_100009817359 [0,2,0,0,0,0|2,0,0]=4 967 B14R0.36 CCOC(=O)CC(C)C(=O)CC(C)CC 1458a_100000708755_100009817359 [0,2,0,0,0,0|2,0,0]=4 968 B14R0.36 CCOC(=O)CC(C)C(=O)CC(O)CC 1458a_100011667805_100009817359 [0,2,0,0,0,0|2,0,0]=4 969 B14R0.36 CCOC(=O)CC(C)C(=O)CN(C)CC 1458a_100116209913_100009817359 [0,2,0,0,0,0|2,0,0]=4 970 B14R0.44 CCOCC(=O)C(C)OC(=O)OC(C)C 1458a_100000211967_100000067433 [0,2,0,0,0,0|2,0,0]=4 971 B14R0.1172 C=C(C)CCC(=O)C(C)CC(=O)OCC 1458a_200000688413_100009817359 [0,2,0,0,0,0|2,0,0]=4 972 B14R0.1172 CCOC(=O)CC(C)C(=O)C=CC(C)C 1458a_100016268746_100009817359 [0,2,0,0,0,0|2,0,0]=4 973 B14R0.1172 CCOC(=O)CC(C)C(=O)CCC(C)C 1458a_100000181311_100009817359 [0,2,0,0,0,0|2,0,0]=4 974 B14R0.1172 CCOC(=O)CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100009817359 [0,2,0,0,0,0|2,0,0]=4 975 B14R0.1172 CCOC(=O)CC(C)C(=O)COC(=O)C 1458a_100000183556_100009817359 [0,2,0,0,0,0|1,0,1]=4 976 B14R0.1172 CCOC(=O)CC(C)C(=O)COC(C)C 1458a_100000745533_100009817359 [0,2,0,0,0,0|1,0,0]=3 977 B14R0.1172 CCOC(=O)CC(C)C(=O)COC(F)F 1458a_200000719455_100009817359 [0,2,0,0,0,0|2,0,0]=4 978 B14R0.1172 CCOC(=O)CC(C)C(=O)CSC(C)C 1458a_100000241585_100009817359 [0,2,0,0,0,0|1,1,0]=4 979 B14R0.1172 CCOC(=O)CN(C)C(=O)COC(C)C 11a_100000220588_100000745533 [0,2,0,0,0,0|2,0,0]=4 980 B14R0.1172 CCOC(=O)CN(C)C(=O)COC(C)C 1626a_100000220588_100000745533 [0,2,0,0,0,0|2,0,0]=4 981 B14R0.1172 CCOC(=O)CN(C)C(=O)COC(C)C 240690a_100000220588_100000745533 [0,2,0,0,0,0|2,0,0]=4 982 B14R0.1172 CCOC(=O)CN(C)C(=O)COC(C)C 34a_100000212225_100000754419 [0,2,0,0,0,0|2,0,0]=4 983 B14R0.1172 CCOC(=O)CN(C)C(=O)COC(C)C 527a_100000220588_100000745533 [0,2,0,0,0,0|2,0,0]=4 984 B14R0.1312 CCOCC(=O)N(CC)CC(=O)OCC 11a_100000220607_100000211967 [0,2,0,0,0,0|2,0,0]=4 985 B14R0.1312 CCOCC(=O)N(CC)CC(=O)OCC 1626a_100000220607_100000211967 [0,2,0,0,0,0|2,0,0]=4 986 B14R0.1312 CCOCC(=O)N(CC)CC(=O)OCC 240690a_100000220607_100000211967 [0,2,0,0,0,0|2,0,0]=4 987 B14R0.1312 CCOCC(=O)N(CC)CC(=O)OCC 527a_100000220607_100000211967 [0,2,0,0,0,0|2,0,0]=4 988 B14R0.2424 C#CCCCC(=O)C(C)CC(=O)OCC 1458a_100000690238_100009817359 [0,2,0,0,0,0|2,0,0]=4 989 B14R0.2424 C#CCOCC(=O)C(C)CC(=O)OCC 1458a_100011251226_100009817359 [0,2,0,0,0,0|1,0,1]=4 990 B14R0.2424 C=CCCCC(=O)C(C)CC(=O)OCC 1458a_100000766728_100009817359 [0,2,0,0,0,0|2,0,0]=4 991 B14R0.2424 CC/C=C/CC(=O)C(C)CC(=O)OCC 1458a_100016274230_100009817359 [0,2,0,0,0,0|2,0,0]=4 992 B14R0.2424 CCCC#CC(=O)C(C)CC(=O)OCC 1458a_200011218047_100009817359 [0,2,0,0,0,0|2,0,0]=4 993 B14R0.2424 CCCC=CC(=O)C(C)CC(=O)OCC 1458a_100000212230_100009817359 [0,2,0,0,0,0|2,0,0]=4 994 B14R0.2424 CCCCCC(=O)C(C)CC(=O)OCC 1458a_100000212188_100009817359 [0,2,0,0,0,0|2,0,0]=4 995 B14R0.2424 CCCOCC(=O)C(C)CC(=O)OCC 1458a_100000745993_100009817359 [0,2,0,0,0,0|1,0,0]=3 996 B14R0.2424 CCCOCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000745993 [0,2,0,0,0,0|2,0,0]=4 997 B14R0.2424 CCCOCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000745993 [0,2,0,0,0,0|2,0,0]=4 998 B14R0.2424 CCCOCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000745993 [0,2,0,0,0,0|2,0,0]=4 999 B14R0.2424 CCCOCC(=O)N(C)CC(=O)OCC 34a_100000210258_100000754419 [0,2,0,0,0,0|2,0,0]=4 1000 B14R0.2424 CCCOCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000745993 [0,2,0,0,0,0|2,0,0]=4 1001 B14R0.2424 CCCSCC(=O)C(C)CC(=O)OCC 1458a_100000217233_100009817359 [0,2,0,0,0,0|1,1,0]=4 1002 B14R0.2424 CCOC(=O)CC(C)C(=O)C=CCOC 1458a_100016285016_100009817359 [0,2,0,0,0,0|2,0,0]=4 1003 B14R0.2424 CCOC(=O)CC(C)C(=O)CCCC#N 1458a_100000075515_100009817359 [0,2,0,0,0,0|2,0,0]=4 1004 B14R0.2424 CCOC(=O)CC(C)C(=O)CCCCO 1458a_100000695505_100009817359 [0,2,0,0,0,0|2,0,0]=4 1005 B14R0.2424 CCOC(=O)CC(C)C(=O)CCCOC 1458a_100000741012_100009817359 [0,2,0,0,0,0|2,0,0]=4 1006 B14R0.2424 CCOC(=O)CC(C)C(=O)CCCSC 1458a_100000173376_100009817359 [0,2,0,0,0,0|2,0,0]=4 1007 B14R0.2424 CCOC(=O)CC(C)C(=O)CCSCC 1458a_100000230768_100009817359 [0,2,0,0,0,0|1,1,0]=4 1008 B14R0.2424 CCOC(=O)CC(C)C(=O)COCCO 1458a_100000708028_100009817359 [0,2,0,0,0,0|1,0,0]=3 1009 B14R0.2424 CCOC(=O)CN(C)C(=O)COCCBr 34a_100000211926_100000754419 [0,2,0,0,0,0|2,0,0]=4 1010 B14R0.2424 CCOC(=O)CN(C)C(=O)COCCN 34a_100000210304_100000754419 [0,2,0,0,0,0|2,0,0]=4 1011 B14R0.2424 CCOC(=O)CN(C)C(=O)COCCO 1626a_100000220588_100000708028 [0,2,0,0,0,0|2,0,0]=4 1012 B14R0.2424 CCOC(=O)CN(C)C(=O)COCCO 240690a_100000220588_100000708028 [0,2,0,0,0,0|2,0,0]=4 1013 B14R0.2424 CCOC=CC(=O)C(C)CC(=O)OCC 1458a_100016266692_100009817359 [0,2,0,0,0,0|1,0,0]=3 1014 B14R0.2424 CCOC=CC(=O)N(C)CC(=O)OCC 11a_100000220588_100016266692 [0,2,0,0,0,0|2,0,0]=4 1015 B14R0.2424 CCOC=CC(=O)N(C)CC(=O)OCC 1626a_100000220588_100016266692 [0,2,0,0,0,0|2,0,0]=4 1016 B14R0.2424 CCOC=CC(=O)N(C)CC(=O)OCC 240690a_100000220588_100016266692 [0,2,0,0,0,0|2,0,0]=4 1017 B14R0.2424 CCOCCC(=O)C(C)CC(=O)OCC 1458a_100000749530_100009817359 [0,2,0,0,0,0|1,0,0]=3 1018 B14R0.2424 CCOCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000749530 [0,2,0,0,0,0|2,0,0]=4 1019 B14R0.2424 CCOCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000749530 [0,2,0,0,0,0|2,0,0]=4 1020 B14R0.2424 CCOCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000749530 [0,2,0,0,0,0|2,0,0]=4 1021 B14R0.2424 CCOCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000749530 [0,2,0,0,0,0|2,0,0]=4 1022 B14R0.499 CCOC(=O)CC(C)C(=O)C(C)C(C)C 1458a_100000755409_100009817359 [0,2,0,0,0,0|2,0,0]=4 1023 B14R0.499 CCOC(=O)CC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100009817359 [0,2,0,0,0,0|2,0,0]=4 1024 B14R0.1173 CCOC(=O)CC(C)C(=O)CC(C)(C)C 1458a_100000211214_100009817359 [0,2,0,0,0,0|2,0,0]=4 1025 B14R0.1173 CCOC(=O)CC(C)C(=O)CC(C)(C)O 1458a_100000693243_100009817359 [0,2,0,0,0,0|2,0,0]=4 1026 B14R0.232 CCCOCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000745993 [0,2,0,0,0,0|2,0,0]=4 1027 B14R0.232 CCOC(=O)[C@@H](C)NC(=O)COCCO 188690a_100016988386_100000708028 [0,2,0,0,0,0|2,0,0]=4 1028 B14R0.232 CCOCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000749530 [0,2,0,0,0,0|2,0,0]=4 1029 B14R0.301 CCOC(=O)[C@@H](C)NC(=O)COC(C)C 188690a_100016988386_100000745533 [0,2,0,0,0,0|2,0,0]=4 1030 B14R0.567 CCCCC(=O)N[C@H](CO)C(=O)OCC 188690a_100016988294_100000210183 [0,2,0,0,0,0|2,0,0]=4 1031 B14R0.567 CCOC(=O)[C@@H](CO)NC(=O)CCOC 188690a_100016988294_100000749529 [0,2,0,0,0,0|2,0,0]=4 1032 B14R0.567 CCOC(=O)[C@@H](CO)NC(=O)CCSC 188690a_100016988294_100000174002 [0,2,0,0,0,0|2,0,0]=4 1033 B14R0.567 CCOC(=O)[C@@H](CO)NC(=O)CSCC 188690a_100016988294_100000230394 [0,2,0,0,0,0|1,1,0]=4 1034 B14R0.567 CCOCC(=O)N[C@@H](CC)C(=O)OCC 188690a_100025709693_100000211967 [0,2,0,0,0,0|2,0,0]=4 1035 B14R0.567 CCOCC(=O)N[C@H](CO)C(=O)OCC 188690a_100016988294_100000211967 [0,2,0,0,0,0|1,0,0]=3 1036 B14R0.1326 CCOCC(=O)NC(C)(C)C(=O)OCC 188690a_100000750574_100000211967 [0,2,0,0,0,0|2,0,0]=4 1037 B14R0.713 CCCC(=O)N[C@@H](C(=O)OCC)[C@@H](C)O 188690a_100016989591_100000211992 [0,2,0,0,0,0|2,0,0]=4 1038 B14R0.1167 CCOC(=O)C[C@H](OCC)C(=O)OCC 7a_100016993805_100000210202 [0,2,0,0,0,0|0,0,0]=2 1039 B14R0.1167 CCOC(=O)C[C@H](OCF)C(=O)OCC 7a_100016993805_100015361967 [0,2,0,0,0,0|0,0,0]=2 1040 B14R0.1189 CCOC(=O)[C@@H](CO)NC(=O)CC(C)C 188690a_100016988294_100000210554 [0,2,0,0,0,0|2,0,0]=4 1041 B14R0.1189 CCOC(=O)[C@@H](CO)NC(=O)C[C@@H](C)O 188690a_100016988294_100011933948 [0,2,0,0,0,0|2,0,0]=4 1042 B14R0.1200 CCOC(=O)[C@@H](CO)NC(=O)C(C)CC 188690a_100016988294_100011192722 [0,2,0,0,0,0|2,0,0]=4 1043 B14R0.1200 CCOC(=O)[C@@H](CO)NC(=O)C(O)CC 188690a_100016988294_100011196387 [0,2,0,0,0,0|2,0,0]=4 1044 B14R0.1771 CCOC(=O)C(=O)C(SC)C(=O)OCC 62a_100000067482_200000210301 [0,2,0,0,0,0|0,0,2]=4 1045 B14R0.1771 CCOC(=O)C(=O)C(SC)C(=O)OCC 62a_200000210301_100000067482 [0,2,0,0,0,0|0,0,2]=4 1046 B14R0.1771 CCOC(=O)C(=O)C(S[13CH3])C(=O)OCC 62a_100000067482_200025704644 [0,2,0,0,0,0|0,0,2]=4 1047 B14R0.1771 CCOC(=O)C(=O)C(S[13CH3])C(=O)OCC 62a_200025704644_100000067482 [0,2,0,0,0,0|0,0,2]=4 1048 B14R0.325 CCCC(=O)[C@H](C)CC(=O)OC(C)(C)C 1458a_100016989264_100000210303 [0,2,0,0,0,0|2,0,0]=4 1049 B14R0.325 CCNC(=O)[C@H](C)CC(=O)OC(C)(C)C 240690a_100015525214_100016989264 [0,2,0,0,0,0|2,0,0]=4 1050 B14R0.325 CCNC(=O)[C@H](C)CC(=O)OC(C)(C)C 527a_100015525214_100016989264 [0,2,0,0,0,0|2,0,0]=4 1051 B14R0.1060 CCOC(=O)CC(C)C(=O)C(C)(C)CC 1458a_100000749717_100009817359 [0,2,0,0,0,0|2,0,0]=4 1052 B14R0.1060 CCOC(=O)CC(C)C(=O)C(C)(O)CC 1458a_100011219770_100009817359 [0,2,0,0,0,0|2,0,0]=4 1053 B14R0.1060 CCOC(=O)CC(C)C(=O)C(F)(F)CC 1458a_100000061896_100009817359 [0,2,0,0,0,0|2,0,0]=4 1054 B14R0.2866 CCOC(=O)CC(C)C(=O)C(CC)CC 1458a_100000211163_100009817359 [0,2,0,0,0,0|2,0,0]=4 1055 B14R0.2866 CCOC(=O)CC(C)C(=O)C(CC)OC 1458a_100000747056_100009817359 [0,2,0,0,0,0|2,0,0]=4 1056 B12R1.17 CCOC(=O)C1CN(CCO1)C 2230a_100016995033_200000210301 [1,0,0,1,0,0|2,0,0]=4 1057 B12R1.17 CCOC(=O)C1CN(CCO1)C 269982a_100016995033_200000210301 [1,0,0,1,0,0|2,0,0]=4 1058 B12R1.17 CCOC(=O)C1CN(CCO1)[13CH3] 2230a_100016995033_200025704644 [1,0,0,1,0,0|2,0,0]=4 1059 B12R1.17 CCOC(=O)C1CN(CCO1)[13CH3] 269982a_100016995033_200025704644 [1,0,0,1,0,0|2,0,0]=4 1060 B12R1.312 CCCC(=O)C1CC(=NO1)CC 1458a_100000763699_100000210303 [1,0,0,1,0,0|2,0,0]=4 1061 B12R1.312 CCNC(=O)C1CC(=NO1)CC 11a_100015525214_100000763699 [1,0,0,1,0,0|2,0,0]=4 1062 B12R1.312 CCNC(=O)C1CC(=NO1)CC 240690a_100015525214_100000763699 [1,0,0,1,0,0|2,0,0]=4 1063 B12R1.312 CCNC(=O)C1CC(=NO1)CC 527a_100015525214_100000763699 [1,0,0,1,0,0|2,0,0]=4 1064 B12R1.1562 CCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000210303 [1,0,0,1,0,0|2,0,0]=4 1065 B12R1.1562 CCNC(=O)C1CC1C(=O)OC 11a_100015525214_100000750770 [1,0,0,1,0,0|2,0,0]=4 1066 B12R1.1562 CCNC(=O)C1CC1C(=O)OC 240690a_100015525214_100000750770 [1,0,0,1,0,0|2,0,0]=4 1067 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)CC 1458a_100009818562_100000210202 [1,0,0,1,0,0|1,0,0]=3 1068 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)CF 1458a_100009818562_100015361967 [1,0,0,1,0,0|2,0,0]=4 1069 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)NC 11a_106832991635_100009818562 [1,0,0,1,0,0|2,0,0]=4 1070 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)NC 240690a_100102657272_100009818562 [1,0,0,1,0,0|2,0,0]=4 1071 B12R1.178 CCOC(=O)C1CC(C1)OCC 7a_100000093532_100000210202 [1,0,0,1,0,0|1,0,1]=4 1072 B12R1.318 CCCC(=O)CN1CCOC1=O 1458a_100011227918_100000210303 [1,0,0,1,0,0|2,0,0]=4 1073 B12R1.318 CCNC(=O)CN1CCOC1=O 11a_100015525214_100011227918 [1,0,0,1,0,0|2,0,0]=4 1074 B12R1.318 CCNC(=O)CN1CCOC1=O 240690a_100015525214_100011227918 [1,0,0,1,0,0|2,0,0]=4 1075 B12R1.318 CCNC(=O)CN1CCOC1=O 527a_100015525214_100011227918 [1,0,0,1,0,0|2,0,0]=4 1076 B12R1.686 CCOC(=O)CNC(=O)C1CC1 188690a_100000741813_100000210395 [1,0,0,1,0,0|2,0,0]=4 1077 B12R1.1595 CCCC(=O)C1(CCOCC1)O 1458a_100000751969_100000210303 [1,0,0,1,0,0|1,0,1]=4 1078 B12R1.1595 CCNC(=O)C1(CCOCC1)O 240690a_100015525214_100000751969 [1,0,0,1,0,0|1,0,1]=4 1079 B12R1.63 CCC(=O)C1CC(=O)N(C1)CC 1458a_100000215766_100000210202 [1,0,0,1,0,0|2,0,0]=4 1080 B12R1.1446 CCOC(=O)C(C)C(=O)C1CC1 1458a_100000210395_100011216346 [0,0,0,1,1,0|2,0,0]=4 1081 B12R1.1446 CCOC(=O)C(F)C(=O)C1CC1 1458a_100000210395_100000760018 [0,0,0,1,1,0|2,0,0]=4 1082 B14R1.17 CCOC(=O)CN1CCNC(=O)C1C 2230a_100000750721_100000188475 [0,0,0,1,0,1|2,0,0]=4 1083 B14R1.17 CCOC(=O)CN1CCNC(=O)C1C 269982a_100000750721_100000188475 [0,0,0,1,0,1|2,0,0]=4 1084 B14R1.17 CCOC(=O)CN1CCNC(=O)C1C 34a_100000750721_100000188475 [0,0,0,1,0,1|2,0,0]=4 1085 B14R1.36 CCNC(=O)C(C)N1CCOC(=O)C1 2230a_100000131268_100000230173 [0,0,0,1,0,1|2,0,0]=4 1086 B14R1.36 CCOC(=O)C(=O)N1CCOC(=O)C1 11a_100000131268_100014798877 [0,0,0,1,0,1|0,0,2]=4 1087 B14R1.36 CCOC(=O)C(=O)N1CCOC(=O)C1 240690a_100000131268_100014798877 [0,0,0,1,0,1|0,0,2]=4 1088 B14R1.36 CCOC(=O)C(C)N1CCNC(=O)C1 2230a_100000184651_100011215307 [0,0,0,1,0,1|2,0,0]=4 1089 B14R1.36 CCOC(=O)C(C)N1CCOC(=O)C1 2230a_100000131268_100011215307 [0,0,0,1,0,1|1,0,0]=3 1090 B14R1.36 CCOC(=O)C(F)N1CCNC(=O)C1 2230a_100000184651_100000760018 [0,0,0,1,0,1|2,0,0]=4 1091 B14R1.36 CCOC(=O)C(F)N1CCOC(=O)C1 2230a_100000131268_100000760018 [0,0,0,1,0,1|1,0,0]=3 1092 B14R1.598 CCOC(=O)CNC1CCCNC1=O 2230a_100000747585_100000188475 [0,0,0,1,0,1|2,0,0]=4 1093 B14R1.598 CCOC(=O)CNC1CCCNC1=O 34a_100000747585_100000188475 [0,0,0,1,0,1|2,0,0]=4 1094 B14R1.598 CCOC(=O)COC1CCCCC1=O 34a_100011214950_100000188475 [0,0,0,1,0,1|2,0,0]=4 1095 B14R1.598 CCOC(=O)COC1CCCNC1=O 34a_100000073722_100000188475 [0,0,0,1,0,1|2,0,0]=4 1096 B14R1.598 CCOC(=O)CSC1CCCCC1=O 62a_100000188475_100000204591 [0,0,0,1,0,1|2,0,0]=4 1097 B14R1.598 CCOC(=O)CSC1CCCCC1=O 62a_100000204591_100000188475 [0,0,0,1,0,1|2,0,0]=4 1098 B14R1.598 CCOC(=O)CSC1CCCNC1=O 62a_100000188475_100000687798 [0,0,0,1,0,1|2,0,0]=4 1099 B14R1.598 CCOC(=O)CSC1CCCNC1=O 62a_100000687798_100000188475 [0,0,0,1,0,1|2,0,0]=4 1100 B14R1.2628 CCOC(=O)CCC(C)C(=O)C1CC1 1458a_100000210395_100000748298 [0,0,0,1,0,1|2,0,0]=4 1101 B14R1.3309 CCCC(=O)CSC1CC(OC1=O)C 62a_100000747444_200000216747 [0,0,0,1,0,1|2,0,0]=4 1102 B14R1.3309 CCCC(=O)CSC1CC(OC1=O)C 62a_200000216747_100000747444 [0,0,0,1,0,1|2,0,0]=4 1103 B14R1.3309 CCNC(=O)CNC1CC(OC1=O)C 2230a_100016988866_200000216747 [0,0,0,1,0,1|2,0,0]=4 1104 B14R1.3309 CCNC(=O)CSC1CC(OC1=O)C 62a_100000183381_200000216747 [0,0,0,1,0,1|2,0,0]=4 1105 B14R1.3309 CCNC(=O)CSC1CC(OC1=O)C 62a_200000216747_100000183381 [0,0,0,1,0,1|2,0,0]=4 1106 B14R1.3309 CCOC(=O)CSC1CC(OC1=O)C 62a_100000188475_200000216747 [0,0,0,1,0,1|1,0,0]=3 1107 B14R1.3309 CCOC(=O)CSC1CC(OC1=O)C 62a_200000216747_100000188475 [0,0,0,1,0,1|1,0,0]=3 1108 B14R1.3356 CCNC(=O)C(C)NC1CCOC1=O 2230a_100000736553_100000211211 [0,0,0,1,0,1|2,0,0]=4 1109 B14R1.3356 CCNC(=O)C(C)NC1CCOC1=O 34a_100000736553_100000211211 [0,0,0,1,0,1|2,0,0]=4 1110 B14R1.3356 CCNC(=O)C(C)SC1CCOC1=O 62a_100000211211_100000230173 [0,0,0,1,0,1|2,0,0]=4 1111 B14R1.3356 CCNC(=O)C(C)SC1CCOC1=O 62a_100000230173_100000211211 [0,0,0,1,0,1|2,0,0]=4 1112 B14R1.3356 CCOC(=O)C(C)NC1CCNC1=O 2230a_100016995588_100011215307 [0,0,0,1,0,1|2,0,0]=4 1113 B14R1.3356 CCOC(=O)C(C)NC1CCNC1=O 34a_100016995588_100011216346 [0,0,0,1,0,1|2,0,0]=4 1114 B14R1.3356 CCOC(=O)C(C)OC1CCCC1=O 34a_200000719330_100011216346 [0,0,0,1,0,1|2,0,0]=4 1115 B14R1.3356 CCOC(=O)C(C)O[C@H]1CCNC1=O 34a_100000688343_100011216346 [0,0,0,1,0,1|2,0,0]=4 1116 B14R1.3356 CCOC(=O)C(C)SC1CCCC1=O 62a_100000211823_100011216346 [0,0,0,1,0,1|2,0,0]=4 1117 B14R1.3356 CCOC(=O)C(C)SC1CCCC1=O 62a_100011216346_100000211823 [0,0,0,1,0,1|2,0,0]=4 1118 B14R1.3356 CCOC(=O)C(C)SC1CCOC1=O 62a_100000211211_100011216346 [0,0,0,1,0,1|1,0,0]=3 1119 B14R1.3356 CCOC(=O)C(C)SC1CCOC1=O 62a_100011216346_100000211211 [0,0,0,1,0,1|1,0,0]=3 1120 B14R1.3356 CCOC(=O)C(F)NC1CCNC1=O 2230a_100016995588_100000760018 [0,0,0,1,0,1|2,0,0]=4 1121 B14R1.3356 CCOC(=O)C(F)NC1CCNC1=O 34a_100016995588_100000760018 [0,0,0,1,0,1|2,0,0]=4 1122 B14R1.3356 CCOC(=O)C(F)OC1CCCC1=O 34a_200000719330_100000760018 [0,0,0,1,0,1|2,0,0]=4 1123 B14R1.3356 CCOC(=O)C(F)O[C@H]1CCNC1=O 34a_100000688343_100000760018 [0,0,0,1,0,1|2,0,0]=4 1124 B14R1.3356 CCOC(=O)C(F)SC1CCCC1=O 62a_100000211823_100000760018 [0,0,0,1,0,1|2,0,0]=4 1125 B14R1.3356 CCOC(=O)C(F)SC1CCCC1=O 62a_100000760018_100000211823 [0,0,0,1,0,1|2,0,0]=4 1126 B14R1.3356 CCOC(=O)C(F)SC1CCOC1=O 62a_100000211211_100000760018 [0,0,0,1,0,1|1,0,0]=3 1127 B14R1.3356 CCOC(=O)C(F)SC1CCOC1=O 62a_100000760018_100000211211 [0,0,0,1,0,1|1,0,0]=3 1128 B14R1.3356 CCOC(=O)[C@H](C)OC1CCCC1=O 7a_100000751109_100000211823 [0,0,0,1,0,1|2,0,0]=4 1129 B14R1.3356 CCOC(=O)[C@H](C)OC1CCOC1=O 7a_100000751109_100000211211 [0,0,0,1,0,1|1,0,0]=3 1130 B14R1.3356 CCSC(=O)[C@H](C)NC1CCOC1=O 2230a_100103168634_100000211211 [0,0,0,1,0,1|1,1,0]=4 1131 B14R1.7177 CCOC(=O)C(C)OCC(=O)C1CC1 34a_100000686663_100011216346 [0,0,0,1,0,1|2,0,0]=4 1132 B14R1.7177 CCOC(=O)C(C)SCC(=O)C1CC1 62a_100000746382_100011216346 [0,0,0,1,0,1|2,0,0]=4 1133 B14R1.7177 CCOC(=O)C(C)SCC(=O)C1CC1 62a_100011216346_100000746382 [0,0,0,1,0,1|2,0,0]=4 1134 B14R1.7177 CCOC(=O)C(F)OCC(=O)C1CC1 34a_100000686663_100000760018 [0,0,0,1,0,1|2,0,0]=4 1135 B14R1.7177 CCOC(=O)C(F)SCC(=O)C1CC1 62a_100000746382_100000760018 [0,0,0,1,0,1|2,0,0]=4 1136 B14R1.7177 CCOC(=O)C(F)SCC(=O)C1CC1 62a_100000760018_100000746382 [0,0,0,1,0,1|2,0,0]=4 1137 B14R1.7177 CCOC(=O)[C@H](C)OCC(=O)C1CC1 7a_100000751109_100000746382 [0,0,0,1,0,1|2,0,0]=4 1138 B14R1.7254 CCCC(=O)N1CC(C1)C(=O)OCC 11a_100015188541_100000211992 [0,0,0,1,0,1|2,0,0]=4 1139 B14R1.7254 CCCC(=O)N1CC(C1)C(=O)OCC 240690a_100015188541_100000211992 [0,0,0,1,0,1|2,0,0]=4 1140 B14R1.7254 CCCC(=O)N1CC(C1)C(=O)OCC 527a_100015188541_100000211992 [0,0,0,1,0,1|2,0,0]=4 1141 B14R1.7254 CCNC(=O)N1CC(C1)C(=O)OCC 2708a_100015525214_100015188541 [0,0,0,1,0,1|2,0,0]=4 1142 B14R1.2627 CCOC(=O)CC(C)NC(=O)C1CC1 188690a_100000686176_100000210395 [0,0,0,1,0,1|2,0,0]=4 1143 B14R1.3242 CCOC(=O)CC(=O)C1CCOC1=O 1458a_100000243816_100000211211 [0,0,0,1,0,1|0,0,2]=4 1144 B14R1.3242 CCOC(=O)CN(C)C1CCOC1=O 2230a_100000220588_100000211211 [0,0,0,1,0,1|2,0,0]=4 1145 B14R1.2529 CCCCC(=O)[C@@H]1C[C@H]1C(=O)OCC 1458a_100009818562_100000210211 [0,1,0,1,0,0|2,0,0]=4 1146 B14R1.2529 CCCNC(=O)[C@@H]1C[C@H]1C(=O)OCC 11a_100020643023_100009818562 [0,1,0,1,0,0|2,0,0]=4 1147 B14R1.2529 CCCNC(=O)[C@@H]1C[C@H]1C(=O)OCC 240690a_100020643023_100009818562 [0,1,0,1,0,0|2,0,0]=4 1148 B14R1.2529 CCNNC(=O)[C@@H]1C[C@H]1C(=O)OCC 22a_100000756455_100009818562 [0,1,0,1,0,0|2,0,0]=4 1149 B14R1.2529 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCCF 1458a_100009818562_100011934791 [0,1,0,1,0,0|2,0,0]=4 1150 B14R1.2529 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCCO 1458a_100009818562_100011215043 [0,1,0,1,0,0|2,0,0]=4 1151 B14R1.2529 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCOC 1458a_100009818562_100000233755 [0,1,0,1,0,0|2,0,0]=4 1152 B14R1.2529 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCSC 1458a_100009818562_100000751147 [0,1,0,1,0,0|2,0,0]=4 1153 B14R1.2529 CCOC(=O)[C@@H]1C[C@H]1C(=O)NCCF 11a_100000724931_100009818562 [0,1,0,1,0,0|2,0,0]=4 1154 B14R1.2529 CCOC(=O)[C@@H]1C[C@H]1C(=O)NCCF 240690a_100000724931_100009818562 [0,1,0,1,0,0|2,0,0]=4 1155 B14R1.2529 CCOC(=O)[C@@H]1C[C@H]1C(=O)NCCO 240690a_100000210304_100009818562 [0,1,0,1,0,0|2,0,0]=4 1156 B14R1.7167 CCOC(=O)CC(C)C(=O)C1CCC1 1458a_100000209988_100009817359 [0,1,0,1,0,0|2,0,0]=4 1157 B14R1.7167 CCOC(=O)CC(C)C(=O)C1CCO1 1458a_100000089072_100009817359 [0,1,0,1,0,0|1,0,0]=3 1158 B14R1.7167 CCOC(=O)CC(C)C(=O)C1COC1 1458a_100000758290_100009817359 [0,1,0,1,0,0|2,0,0]=4 1159 B14R1.7167 CCOC(=O)CN(C)C(=O)C1CCO1 11a_100000220588_100000089072 [0,1,0,1,0,0|2,0,0]=4 1160 B14R1.7167 CCOC(=O)CN(C)C(=O)C1CCO1 1626a_100000220588_100000089072 [0,1,0,1,0,0|2,0,0]=4 1161 B14R1.7167 CCOC(=O)CN(C)C(=O)C1CCO1 240690a_100000220588_100000089072 [0,1,0,1,0,0|2,0,0]=4 1162 B14R1.7167 CCOC(=O)CN(C)C(=O)C1CCO1 527a_100000220588_100000089072 [0,1,0,1,0,0|2,0,0]=4 1163 B14R1.7169 CCOC(=O)CC(C)C(=O)CC1CC1 1458a_100000738066_100009817359 [0,1,0,1,0,0|2,0,0]=4 1164 B14R1.18931 CCOC(=O)CC(C)C(=O)C1CC1C 1458a_100000211227_100009817359 [0,1,0,1,0,0|2,0,0]=4 1165 B14R1.18931 CCOC(=O)CC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100009817359 [0,1,0,1,0,0|2,0,0]=4 1166 B14R1.957 CC1(OC(=O)[C@H](O1)CC(=O)CCF)C 1458a_100016176030_100011217306 [0,1,0,1,0,0|2,0,0]=4 1167 B14R1.957 CC1(OC(=O)[C@H](O1)CC(=O)CCO)C 1458a_100016176030_100000211926 [0,1,0,1,0,0|2,0,0]=4 1168 B14R1.957 CCCC(=O)C[C@H]1OC(OC1=O)(C)C 1458a_100016176030_100000210303 [0,1,0,1,0,0|1,0,0]=3 1169 B14R1.957 CCNC(=O)C[C@H]1OC(OC1=O)(C)C 11a_100015525214_100016176030 [0,1,0,1,0,0|1,0,0]=3 1170 B14R1.7247 CCOC(=O)[C@@H]1C[C@H]1C(=O)CC(C)C 1458a_100009818562_100000210624 [0,1,0,1,0,0|2,0,0]=4 1171 B14R1.7247 CCOC(=O)[C@@H]1C[C@H]1C(=O)CC(C)O 1458a_100009818562_100011218427 [0,1,0,1,0,0|2,0,0]=4 1172 B14R1.7247 CCOC(=O)[C@@H]1C[C@H]1C(=O)NC(C)C 11a_100138425928_100009818562 [0,1,0,1,0,0|2,0,0]=4 1173 B14R1.7247 CCOC(=O)[C@@H]1C[C@H]1C(=O)NC(C)C 240690a_100138425928_100009818562 [0,1,0,1,0,0|2,0,0]=4 1174 B14R1.766 CCNN=C1COC(C1)C(=O)OCC 4a_100000756455_100020640124 [0,1,0,1,0,0|2,0,0]=4 1175 B14R1.7164 CCOC(=O)[C@@H](C)NC(=O)C1CCO1 188690a_100016988386_100000089072 [0,1,0,1,0,0|2,0,0]=4 1176 B14R1.2669 CCCC(=O)CC1(CC1)C(=O)OCC 1458a_100000211992_100010983122 [0,1,0,1,0,0|2,0,0]=4 1177 B14R1.7163 CCOC(=O)[C@@H](CO)NC(=O)C1CC1 188690a_100016988294_100000210395 [0,1,0,1,0,0|2,0,0]=4 1178 B14R1.19171 CCOC(=O)CC1C(=O)NCCN1C 2230a_100000013613_200000210301 [0,1,0,1,0,0|2,0,0]=4 1179 B14R1.19171 CCOC(=O)CC1C(=O)NCCN1[13CH3] 2230a_100000013613_200025704644 [0,1,0,1,0,0|2,0,0]=4 1180 B14R1.7112 CCOC(=O)[C@@H]1C[C@H]1C(=O)C(C)CC 1458a_100009818562_100000758301 [0,1,0,1,0,0|2,0,0]=4 1181 B14R1.7112 CCOC(=O)[C@@H]1C[C@H]1C(=O)N(C)CC 11a_100000225621_100009818562 [0,1,0,1,0,0|2,0,0]=4 1182 B14R1.7112 CCOC(=O)[C@@H]1C[C@H]1C(=O)N(C)CC 240690a_100000225621_100009818562 [0,1,0,1,0,0|2,0,0]=4 1183 B14R1.7168 CCOC(=O)CC(C)C(=O)C1(CC1)C 1458a_100000756474_100009817359 [0,1,0,1,0,0|2,0,0]=4 1184 B14R1.7168 CCOC(=O)CC(C)C(=O)C1(CC1)F 1458a_100000055089_100009817359 [0,1,0,1,0,0|2,0,0]=4 1185 B14R1.7168 CCOC(=O)CC(C)C(=O)C1(CC1)O 1458a_100000241761_100009817359 [0,1,0,1,0,0|2,0,0]=4 1186 B14R2.9967 CCCC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_100000210303 [0,0,0,2,0,0|2,0,0]=4 1187 B14R2.9967 CCCC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_100000210303 [0,0,0,2,0,0|2,0,0]=4 1188 B14R2.9967 CCNC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 11a_100015525214_200045396503 [0,0,0,2,0,0|2,0,0]=4 1189 B14R2.9967 CCNC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 240690a_100015525214_200045396503 [0,0,0,2,0,0|2,0,0]=4 1190 B14R2.9967 CCNC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 527a_100015525214_200045396503 [0,0,0,2,0,0|2,0,0]=4 1191 B14R2.9967 CCNC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 240690a_100015525214_200121570381 [0,0,0,2,0,0|2,0,0]=4 1192 B10R0.35 CCCC(=O)C(C)C(=O)CC 1458a_100000211992_100000742827 [1,0,0,0,1,0|2,0,0]=4 1193 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100000211992_100000211248 [1,0,0,0,1,0|2,0,0]=4 1194 B10R0.35 CCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210303 [1,0,0,0,1,0|2,0,0]=4 1195 B10R0.35 CCNC(=O)C(C)C(=O)CC 1458a_100000210414_100000230173 [1,0,0,0,1,0|2,0,0]=4 1196 B10R0.35 CCNC(=O)C(C)C(=O)OC 11a_100015525214_100012027023 [1,0,0,0,1,0|2,0,0]=4 1197 B10R0.35 CCNC(=O)C(C)C(=O)OC 240690a_100015525214_100012027023 [1,0,0,0,1,0|2,0,0]=4 1198 B10R0.35 CCNC(=O)C(C)C(=O)OC 527a_100015525214_100012027023 [1,0,0,0,1,0|2,0,0]=4 1199 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100000210414_100011216346 [1,0,0,0,1,0|1,0,0]=3 1200 B10R0.35 CCOC(=O)C(C)C(=O)CC 1458a_100132301724_100000210202 [1,0,0,0,1,0|1,0,0]=3 1201 B10R0.35 CCOC(=O)C(C)C(=O)CF 1458a_100132301724_100015361967 [1,0,0,0,1,0|2,0,0]=4 1202 B10R0.35 CCOC(=O)C(C)C(=O)CO 1458a_100000210174_100011216346 [1,0,0,0,1,0|2,0,0]=4 1203 B10R0.35 CCOC(=O)C(C)C(=O)NC 11a_106832991635_100132301724 [1,0,0,0,1,0|2,0,0]=4 1204 B10R0.35 CCOC(=O)C(C)C(=O)NC 1626a_100102657272_100132301724 [1,0,0,0,1,0|2,0,0]=4 1205 B10R0.35 CCOC(=O)C(C)C(=O)NC 240690a_100102657272_100132301724 [1,0,0,0,1,0|2,0,0]=4 1206 B10R0.35 CCOC(=O)C(C)C(=O)NC 527a_100102657272_100132301724 [1,0,0,0,1,0|2,0,0]=4 1207 B10R0.35 CCOC(=O)C(F)C(=O)CC 1458a_100000210414_100000760018 [1,0,0,0,1,0|1,0,0]=3 1208 B10R0.35 CCOC(=O)C(F)C(=O)CO 1458a_100000210174_100000760018 [1,0,0,0,1,0|2,0,0]=4 1209 B12R0.285 C=COC(=O)CSCC(=O)OCC 62a_100000036128_100000188475 [1,0,0,0,0,1|0,0,2]=4 1210 B12R0.285 C=COC(=O)CSCC(=O)OCC 62a_100000188475_100000036128 [1,0,0,0,0,1|0,0,2]=4 1211 B12R0.285 CC#CC(=O)CCCC(=O)OCC 1458a_100000763181_100011215271 [1,0,0,0,0,1|1,0,1]=4 1212 B12R0.285 CC#CC(=O)CCNC(=O)OCC 1458a_100000763181_200011445536 [1,0,0,0,0,1|1,0,1]=4 1213 B12R0.285 CC=CC(=O)CCCC(=O)OCC 1458a_100000210699_100011215271 [1,0,0,0,0,1|1,0,1]=4 1214 B12R0.285 CC=CC(=O)CCNC(=O)OCC 1458a_100000210699_200011445536 [1,0,0,0,0,1|1,0,1]=4 1215 B12R0.285 CC=CC(=O)NCCC(=O)OCC 188690a_100000746078_100000210699 [1,0,0,0,0,1|1,0,1]=4 1216 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [1,0,0,0,0,1|2,0,0]=4 1217 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [1,0,0,0,0,1|1,0,0]=3 1218 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [1,0,0,0,0,1|1,0,0]=3 1219 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [1,0,0,0,0,1|1,0,0]=3 1220 B12R0.285 CCCC(=O)CNCC(=O)NCC 2230a_100016988866_100000747444 [1,0,0,0,0,1|2,0,0]=4 1221 B12R0.285 CCCC(=O)CSCC(=O)CCC 62a_100000747444_100000747444 [1,0,0,0,0,1|2,0,0]=4 1222 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000183381_100000747444 [1,0,0,0,0,1|2,0,0]=4 1223 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000747444_100000183381 [1,0,0,0,0,1|2,0,0]=4 1224 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [1,0,0,0,0,1|1,0,0]=3 1225 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [1,0,0,0,0,1|1,0,0]=3 1226 B12R0.285 CCCC(=O)NCCC(=O)NCC 11a_100025743525_100000211992 [1,0,0,0,0,1|2,0,0]=4 1227 B12R0.285 CCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000211992 [1,0,0,0,0,1|2,0,0]=4 1228 B12R0.285 CCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000211992 [1,0,0,0,0,1|2,0,0]=4 1229 B12R0.285 CCCC(=O)NCCC(=O)NCC 527a_100025743525_100000211992 [1,0,0,0,0,1|2,0,0]=4 1230 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [1,0,0,0,0,1|1,0,0]=3 1231 B12R0.285 CCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199580 [1,0,0,0,0,1|2,0,0]=4 1232 B12R0.285 CCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199580 [1,0,0,0,0,1|2,0,0]=4 1233 B12R0.285 CCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199580 [1,0,0,0,0,1|2,0,0]=4 1234 B12R0.285 CCNC(=O)CCCC(=O)OCC 11a_100015525214_100000210991 [1,0,0,0,0,1|1,0,0]=3 1235 B12R0.285 CCNC(=O)CCCC(=O)OCC 240690a_100015525214_100000210991 [1,0,0,0,0,1|1,0,0]=3 1236 B12R0.285 CCNC(=O)CCCC(=O)OCC 527a_100015525214_100000210991 [1,0,0,0,0,1|1,0,0]=3 1237 B12R0.285 CCNC(=O)CCNC(=O)NCC 2708a_100015525214_100025743525 [1,0,0,0,0,1|2,0,0]=4 1238 B12R0.285 CCNC(=O)CCNC(=O)NCC 273464a_100015525214_100025743525 [1,0,0,0,0,1|2,0,0]=4 1239 B12R0.285 CCNC(=O)CCNC(=O)NCC 273464a_100025743525_100015525214 [1,0,0,0,0,1|2,0,0]=4 1240 B12R0.285 CCNC(=O)CCNC(=O)NCC 512a_100015525214_100025743525 [1,0,0,0,0,1|2,0,0]=4 1241 B12R0.285 CCNC(=O)CCNC(=O)NCC 512a_100025743525_100015525214 [1,0,0,0,0,1|2,0,0]=4 1242 B12R0.285 CCNC(=O)CNCC(=O)NCC 2230a_100016988866_100000183381 [1,0,0,0,0,1|2,0,0]=4 1243 B12R0.285 CCNC(=O)CNCC(=O)OCC 2230a_100016988866_100000188475 [1,0,0,0,0,1|1,0,0]=3 1244 B12R0.285 CCNC(=O)CSCC(=O)NCC 62a_100000183381_100000183381 [1,0,0,0,0,1|2,0,0]=4 1245 B12R0.285 CCNC(=O)CSCC(=O)OCC 62a_100000183381_100000188475 [1,0,0,0,0,1|1,0,0]=3 1246 B12R0.285 CCNC(=O)CSCC(=O)OCC 62a_100000188475_100000183381 [1,0,0,0,0,1|1,0,0]=3 1247 B12R0.285 CCOC(=O)CCCC(=O)CCF 1458a_100000210991_100011217306 [1,0,0,0,0,1|2,0,0]=4 1248 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100000210991_100000211926 [1,0,0,0,0,1|2,0,0]=4 1249 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100011216618_100011215271 [1,0,0,0,0,1|2,0,0]=4 1250 B12R0.285 CCOC(=O)CCCC(=O)COC 1458a_100000210968_100011215271 [1,0,0,0,0,1|2,0,0]=4 1251 B12R0.285 CCOC(=O)CCCC(=O)CSC 1458a_100000184570_100011215271 [1,0,0,0,0,1|2,0,0]=4 1252 B12R0.285 CCOC(=O)CCCC(=O)NNC 22a_100016993582_100000210991 [1,0,0,0,0,1|2,0,0]=4 1253 B12R0.285 CCOC(=O)CCNC(=O)COC 188690a_100000746078_100000210968 [1,0,0,0,0,1|2,0,0]=4 1254 B12R0.285 CCOC(=O)CCNC(=O)CSC 188690a_100000746078_100000184570 [1,0,0,0,0,1|2,0,0]=4 1255 B12R0.285 CCOC(=O)CSCC(=O)NCO 62a_100000185155_100000188475 [1,0,0,0,0,1|2,0,0]=4 1256 B12R0.285 CCOC(=O)CSCC(=O)NCO 62a_100000188475_100000185155 [1,0,0,0,0,1|2,0,0]=4 1257 B12R0.285 CCOC(=O)CSCC(=O)OCC 62a_100000188475_100000188475 [1,0,0,0,0,1|0,0,0]=2 1258 B12R0.285 CCOC(=O)NCCC(=O)CCO 1458a_100011216618_200011445536 [1,0,0,0,0,1|2,0,0]=4 1259 B12R0.285 CCOC(=O)NCCC(=O)COC 1458a_100000210968_200011445536 [1,0,0,0,0,1|2,0,0]=4 1260 B12R0.285 CCOC(=O)NCCC(=O)CSC 1458a_100000184570_200011445536 [1,0,0,0,0,1|2,0,0]=4 1261 B14R0.33 CCCC(=O)CO[C@H](C)CC(=O)OCC 7a_100009816390_100000747444 [0,0,0,0,0,2|2,0,0]=4 1262 B14R0.33 CCCC(=O)CSC(C)CC(=O)OCC 62a_100000747444_100009817359 [0,0,0,0,0,2|2,0,0]=4 1263 B14R0.33 CCCC(=O)CSC(C)CC(=O)OCC 62a_100009817359_100000747444 [0,0,0,0,0,2|2,0,0]=4 1264 B14R0.33 CCCC(=O)CSC(C)OC(=O)OCC 62a_100000036008_100000747444 [0,0,0,0,0,2|2,0,0]=4 1265 B14R0.33 CCCC(=O)CSC(C)OC(=O)OCC 62a_100000747444_100000036008 [0,0,0,0,0,2|2,0,0]=4 1266 B14R0.33 CCNC(=O)CNC(C)CC(=O)OCC 2230a_100016988866_100009817359 [0,0,0,0,0,2|2,0,0]=4 1267 B14R0.33 CCNC(=O)CO[C@H](C)CC(=O)OCC 7a_100009816390_100000183381 [0,0,0,0,0,2|2,0,0]=4 1268 B14R0.33 CCNC(=O)CSC(C)CC(=O)OCC 62a_100000183381_100009817359 [0,0,0,0,0,2|2,0,0]=4 1269 B14R0.33 CCNC(=O)CSC(C)CC(=O)OCC 62a_100009817359_100000183381 [0,0,0,0,0,2|2,0,0]=4 1270 B14R0.33 CCNC(=O)CSC(C)OC(=O)OCC 62a_100000036008_100000183381 [0,0,0,0,0,2|2,0,0]=4 1271 B14R0.33 CCNC(=O)CSC(C)OC(=O)OCC 62a_100000183381_100000036008 [0,0,0,0,0,2|2,0,0]=4 1272 B14R0.33 CCOC(=O)CC(=O)CNC(=O)OCC 1458a_100000190774_100000188475 [0,0,0,0,0,2|0,0,2]=4 1273 B14R0.33 CCOC(=O)CCC(=O)CC(=O)OCC 1458a_100000183558_100000188475 [0,0,0,0,0,2|0,0,2]=4 1274 B14R0.33 CCOC(=O)CCN(C)CC(=O)OCC 2230a_100000220588_100011206558 [0,0,0,0,0,2|2,0,0]=4 1275 B14R0.33 CCOC(=O)CCN(C)CC(=O)OCC 2230a_100000745921_100000188475 [0,0,0,0,0,2|2,0,0]=4 1276 B14R0.33 CCOC(=O)CCN(C)CC(=O)OCC 269982a_100000745921_100000188475 [0,0,0,0,0,2|2,0,0]=4 1277 B14R0.33 CCOC(=O)CO[C@H](C)CC(=O)OCC 7a_100009816390_100000188475 [0,0,0,0,0,2|1,0,0]=3 1278 B14R0.33 CCOC(=O)CSC(C)CC(=O)OCC 62a_100000188475_100009817359 [0,0,0,0,0,2|1,0,0]=3 1279 B14R0.33 CCOC(=O)CSC(C)CC(=O)OCC 62a_100009817359_100000188475 [0,0,0,0,0,2|1,0,0]=3 1280 B14R0.33 CCOC(=O)CSC(C)OC(=O)OCC 62a_100000036008_100000188475 [0,0,0,0,0,2|1,0,0]=3 1281 B14R0.33 CCOC(=O)CSC(C)OC(=O)OCC 62a_100000188475_100000036008 [0,0,0,0,0,2|1,0,0]=3 1282 B14R0.410 C=C(CSCC(=O)OCC)C(=O)OCC 62a_100000188475_100000755967 [0,0,0,0,0,2|1,0,1]=4 1283 B14R0.410 C=C(CSCC(=O)OCC)C(=O)OCC 62a_100000755967_100000188475 [0,0,0,0,0,2|1,0,1]=4 1284 B14R0.410 CCCC(=O)OCSC(C)C(=O)OCC 62a_100011216346_100000034017 [0,0,0,0,0,2|2,0,0]=4 1285 B14R0.410 CCCC(=O)OCSC(F)C(=O)OCC 62a_100000760018_100000034017 [0,0,0,0,0,2|2,0,0]=4 1286 B14R0.410 CCNC(=O)C(C)NCCC(=O)OCC 2230a_100000736553_100011206558 [0,0,0,0,0,2|2,0,0]=4 1287 B14R0.410 CCNC(=O)C(C)NCCC(=O)OCC 34a_100000736553_100000765890 [0,0,0,0,0,2|2,0,0]=4 1288 B14R0.410 CCNC(=O)C(C)SCCC(=O)OCC 62a_100000230173_100000765890 [0,0,0,0,0,2|2,0,0]=4 1289 B14R0.410 CCNC(=O)C(C)SCCC(=O)OCC 62a_100000765890_100000230173 [0,0,0,0,0,2|2,0,0]=4 1290 B14R0.410 CCNC(=O)C(C)SCOC(=O)OCC 62a_100000230173_100000075025 [0,0,0,0,0,2|2,0,0]=4 1291 B14R0.410 CCNC(=O)CCNC(C)C(=O)OCC 34a_100025743525_100011216346 [0,0,0,0,0,2|2,0,0]=4 1292 B14R0.410 CCNC(=O)CCNC(F)C(=O)OCC 34a_100025743525_100000760018 [0,0,0,0,0,2|2,0,0]=4 1293 B14R0.410 CCNC(=O)CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000737597 [0,0,0,0,0,2|2,0,0]=4 1294 B14R0.410 CCNC(=O)CCSC(C)C(=O)OCC 62a_100000737597_100011216346 [0,0,0,0,0,2|2,0,0]=4 1295 B14R0.410 CCNC(=O)CCSC(C)C(=O)OCC 62a_100011216346_100000737597 [0,0,0,0,0,2|2,0,0]=4 1296 B14R0.410 CCNC(=O)CCSC(F)C(=O)OCC 62a_100000737597_100000760018 [0,0,0,0,0,2|2,0,0]=4 1297 B14R0.410 CCNC(=O)CCSC(F)C(=O)OCC 62a_100000760018_100000737597 [0,0,0,0,0,2|2,0,0]=4 1298 B14R0.410 CCOC(=O)CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100011206558 [0,0,0,0,0,2|1,1,0]=4 1299 B14R0.410 CCOC(=O)CCO[C@@H](C)C(=O)OCC 7a_100000751109_100011206558 [0,0,0,0,0,2|1,0,0]=3 1300 B14R0.410 CCOC(=O)CCSC(C)C(=O)OCC 62a_100000765890_100011216346 [0,0,0,0,0,2|1,0,0]=3 1301 B14R0.410 CCOC(=O)CCSC(C)C(=O)OCC 62a_100011216346_100000765890 [0,0,0,0,0,2|1,0,0]=3 1302 B14R0.410 CCOC(=O)CCSC(F)C(=O)OCC 62a_100000760018_100000765890 [0,0,0,0,0,2|1,0,0]=3 1303 B14R0.410 CCOC(=O)CCSC(F)C(=O)OCC 62a_100000765890_100000760018 [0,0,0,0,0,2|1,0,0]=3 1304 B14R0.410 CCOC(=O)CSCC(=O)C(=O)OCC 62a_100000188475_100000211299 [0,0,0,0,0,2|0,0,2]=4 1305 B14R0.410 CCOC(=O)CSCC(=O)C(=O)OCC 62a_100000211299_100000188475 [0,0,0,0,0,2|0,0,2]=4 1306 B14R0.410 CCOC(=O)OCSC(C)C(=O)OCC 62a_100011216346_100000075025 [0,0,0,0,0,2|1,0,0]=3 1307 B14R0.410 CCOC(=O)OCSC(F)C(=O)OCC 62a_100000760018_100000075025 [0,0,0,0,0,2|1,0,0]=3