0 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [0,0,0,0,0,0|1,0,3]=4 3 B8R1.4 O=c1cc(cn[nH]1)O 271570a_203496583355_100010197405 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [0,0,0,0,0,0|1,0,3]=4 5 B8R1.4 O=c1nc(cc[nH]1)O 271570a_203496583355_200000134032 [0,0,0,0,0,0|0,0,4]=4 6 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,1,0,0,0,0|3,0,0]=4 9 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,0,0,0|2,0,1]=4 10 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,0,0,0|2,0,1]=4 11 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,0,0,0|1,0,2]=4 12 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,0,0,0|2,0,1]=4 14 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,0,0,0|1,0,2]=4 15 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.34 O=c1cc([nH]c(=O)[nH]1)O 271570a_203496583355_100000015670 [0,1,0,0,0,0|0,0,2]=3 22 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.69 O=c1[nH]nc(c(=O)[nH]1)O 271570a_203496583355_100000181694 [0,1,0,0,0,0|1,0,1]=3 27 B7R0.2 C#CC(=O)CC(=O)N 1458a_100000211873_100000187820 [0,0,1,0,0,0|1,0,2]=4 28 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,0,1,0,0,0|3,0,0]=4 29 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,0,1,0,0,0|3,0,0]=4 30 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,0,1,0,0,0|1,0,2]=4 31 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,1,0,0,0|3,0,0]=4 32 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,1,0,0,0|3,0,0]=4 33 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,0,1,0,0,0|3,0,0]=4 34 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,0,1,0,0,0|3,0,0]=4 35 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,0,1,0,0,0|3,0,0]=4 36 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,0,1,0,0,0|3,0,0]=4 37 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,1,0,0,0|2,0,0]=3 38 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,1,0,0,0|1,0,0]=2 39 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,1,0,0,0|1,0,0]=2 40 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,1,0,0,0|2,0,0]=3 41 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,0,1,0,0,0|3,0,0]=4 42 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,0,1,0,0,0|2,0,1]=4 43 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,0,1,0,0,0|2,0,1]=4 44 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,0,1,0,0,0|2,0,1]=4 45 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,0,1,0,0,0|2,0,1]=4 46 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,0,1,0,0,0|2,0,1]=4 47 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,0,1,0,0,0|2,0,1]=4 48 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,0,1,0,0,0|2,0,1]=4 49 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,0,1,0,0,0|2,0,1]=4 50 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,0,1,0,0,0|3,0,0]=4 51 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,0,1,0,0,0|3,0,0]=4 52 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,0,1,0,0,0|3,0,0]=4 53 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,0,1,0,0,0|2,0,0]=3 54 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,0,1,0,0,0|2,0,0]=3 55 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,0,1,0,0,0|2,0,0]=3 56 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,0,1,0,0,0|2,0,0]=3 57 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,0,1,0,0,0|2,0,0]=3 58 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,0,1,0,0,0|2,0,0]=3 59 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,0,1,0,0,0|2,0,0]=3 60 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,0,1,0,0,0|2,0,0]=3 61 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,0,1,0,0,0|3,0,0]=4 62 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,0,1,0,0,0|3,0,0]=4 63 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,1,0,0,0|1,0,0]=2 64 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,0,1,0,0,0|2,0,0]=3 65 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,0,1,0,0,0|2,0,0]=3 66 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,0,1,0,0,0|2,0,1]=4 67 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,0,1,0,0,0|2,0,1]=4 68 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,0,1,0,0,0|2,0,1]=4 69 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,0,1,0,0,0|2,0,1]=4 70 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,0,1,0,0,0|3,0,0]=4 71 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,0,1,0,0,0|3,0,0]=4 72 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,0,1,0,0,0|3,0,0]=4 73 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,0,1,0,0,0|3,0,0]=4 74 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,0,1,0,0,0|3,0,0]=4 75 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,0,1,0,0,0|3,0,0]=4 76 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,0,1,0,0,0|3,0,0]=4 77 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,0,1,0,0,0|1,0,2]=4 78 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,0,1,0,0,0|3,0,0]=4 79 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,0,1,0,0,0|3,0,0]=4 80 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,0,1,0,0,0|3,0,0]=4 81 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,0,1,0,0,0|3,0,0]=4 82 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,0,1,0,0,0|1,0,1]=3 83 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,0,1,0,0,0|1,0,1]=3 84 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,0,1,0,0,0|1,0,1]=3 85 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,0,1,0,0,0|1,0,1]=3 86 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,0,1,0,0,0|1,0,1]=3 87 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,1,0,0,0|2,0,0]=3 88 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,1,0,0,0|2,0,0]=3 89 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,1,0,0,0|2,0,0]=3 90 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,0,1,0,0,0|2,0,0]=3 91 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,0,1,0,0,0|2,0,0]=3 92 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,0,1,0,0,0|3,0,0]=4 93 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,0,1,0,0,0|2,0,1]=4 94 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,0,1,0,0,0|2,0,1]=4 95 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,0,1,0,0,0|2,0,1]=4 96 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,0,1,0,0,0|2,0,1]=4 97 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,0,1,0,0,0|3,0,0]=4 98 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,0,1,0,0,0|3,0,0]=4 99 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,0,1,0,0,0|3,0,0]=4 100 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,0,1,0,0,0|2,0,0]=3 101 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,0,1,0,0,0|2,0,0]=3 102 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,0,1,0,0,0|2,0,0]=3 103 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,0,1,0,0,0|2,0,0]=3 104 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,0,1,0,0,0|3,0,0]=4 105 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,0,1,0,0,0|3,0,0]=4 106 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [0,0,1,0,0,0|3,0,0]=4 107 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,0,1,0,0,0|3,0,0]=4 108 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,0,1,0,0,0|3,0,0]=4 109 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,0,1,0,0,0|3,0,0]=4 110 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,0,1,0,0,0|3,0,0]=4 111 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,0,1,0,0,0|3,0,0]=4 112 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,0,1,0,0,0|2,0,1]=4 113 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,0,1,0,0,0|2,0,1]=4 114 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,0,1,0,0,0|2,0,1]=4 115 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,0,1,0,0,0|2,0,1]=4 116 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,0,1,0,0,0|2,0,1]=4 117 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,0,1,0,0,0|2,0,1]=4 118 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,0,1,0,0,0|2,0,1]=4 119 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,0,1,0,0,0|2,0,1]=4 120 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,0,1,0,0,0|1,0,2]=4 121 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,0,1,0,0,0|1,0,2]=4 122 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,0,1,0,0,0|3,0,0]=4 123 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,0,1,0,0,0|3,0,0]=4 124 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,0,1,0,0,0|3,0,0]=4 125 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,0,1,0,0,0|3,0,0]=4 126 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,0,1,0,0,0|2,0,1]=4 127 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,0,1,0,0,0|2,0,1]=4 128 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,0,1,0,0,0|2,0,1]=4 129 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,0,1,0,0,0|2,0,1]=4 130 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,0,1,0,0,0|1,0,1]=3 131 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,0,1,0,0,0|2,0,1]=4 132 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,0,1,0,0,0|2,0,1]=4 133 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,0,1,0,0,0|2,0,1]=4 134 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,0,1,0,0,0|2,0,1]=4 135 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,0,1,0,0,0|2,0,1]=4 136 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,0,1,0,0,0|3,0,0]=4 137 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,0,1,0,0,0|3,0,0]=4 138 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,0,1,0,0,0|3,0,0]=4 139 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,0,1,0,0,0|3,0,0]=4 140 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,0,1,0,0,0|3,0,0]=4 141 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,0,1,0,0,0|3,0,0]=4 142 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,0,1,0,0,0|2,0,0]=3 143 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,0,1,0,0,0|2,0,0]=3 144 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,0,1,0,0,0|2,0,0]=3 145 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,0,1,0,0,0|3,0,0]=4 146 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,0,1,0,0,0|3,0,0]=4 147 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,0,1,0,0,0|3,0,0]=4 148 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,0,1,0,0,0|3,0,0]=4 149 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,0,1,0,0,0|3,0,0]=4 150 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,0,1,0,0,0|3,0,0]=4 151 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,0,1,0,0,0|3,0,0]=4 152 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,0,1,0,0,0|2,0,0]=3 153 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,0,1,0,0,0|3,0,0]=4 154 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,0,1,0,0,0|3,0,0]=4 155 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,0,1,0,0,0|3,0,0]=4 156 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,0,1,0,0,0|3,0,0]=4 157 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,0,1,0,0,0|3,0,0]=4 158 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,0,1,0,0,0|3,0,0]=4 159 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,0,1,0,0,0|3,0,0]=4 160 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,0,1,0,0,0|3,0,0]=4 161 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,0,1,0,0,0|3,0,0]=4 162 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,0,1,0,0,0|3,0,0]=4 163 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,0,1,0,0,0|2,0,0]=3 164 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,0,1,0,0,0|2,0,0]=3 165 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,0,1,0,0,0|3,0,0]=4 166 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,0,1,0,0,0|3,0,0]=4 167 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,0,1,0,0,0|2,0,1]=4 168 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,0,1,0,0,0|2,0,1]=4 169 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,0,1,0,0,0|2,0,1]=4 170 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,0,1,0,0,0|2,0,1]=4 171 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,0,1,0,0,0|2,0,0]=3 172 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,0,1,0,0,0|2,0,0]=3 173 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,0,1,0,0,0|2,0,0]=3 174 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,0,1,0,0,0|3,0,0]=4 175 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,0,1,0,0,0|3,0,0]=4 176 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,0,1,0,0,0|3,0,0]=4 177 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,0,1,0,0,0|3,0,0]=4 178 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,0,1,0,0,0|2,0,0]=3 179 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,0,1,0,0,0|2,0,0]=3 180 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,0,1,0,0,0|3,0,0]=4 181 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,0,1,0,0,0|3,0,0]=4 182 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,0,1,0,0,0|3,0,0]=4 183 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,0,1,0,0,0|2,0,0]=3 184 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,0,1,0,0,0|2,0,0]=3 185 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,0,1,0,0,0|3,0,0]=4 186 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,0,1,0,0,0|3,0,0]=4 187 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,0,1,0,0,0|2,0,1]=4 188 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,0,1,0,0,0|3,0,0]=4 189 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,0,1,0,0,0|3,0,0]=4 190 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,0,1,0,0,0|3,0,0]=4 191 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,0,1,0,0,0|3,0,0]=4 192 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,0,1,0,0,0|3,0,0]=4 193 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,0,1,0,0,0|2,0,0]=3 194 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,0,1,0,0,0|2,0,0]=3 195 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,0,1,0,0,0|2,0,0]=3 196 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,0,1,0,0,0|3,0,0]=4 197 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,0,1,0,0,0|3,0,0]=4 198 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,0,1,0,0,0|3,0,0]=4 199 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,0,1,0,0,0|3,0,0]=4 200 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,0,1,0,0,0|2,0,0]=3 201 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,0,1,0,0,0|2,0,0]=3 202 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,0,1,0,0,0|3,0,0]=4 203 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,0,1,0,0,0|3,0,0]=4 204 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,0,1,0,0,0|3,0,0]=4 205 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,0,1,0,0,0|3,0,0]=4 206 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,0,1,0,0,0|2,0,1]=4 207 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,0,1,0,0,0|2,0,1]=4 208 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,0,1,0,0,0|2,0,1]=4 209 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,0,1,0,0,0|3,0,0]=4 210 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,0,1,0,0,0|2,0,0]=3 211 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,0,1,0,0,0|2,0,0]=3 212 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,0,1,0,0,0|2,0,0]=3 213 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,0,1,0,0,0|2,0,1]=4 214 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,0,1,0,0,0|1,0,2]=4 215 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,0,1,0,0,0|3,0,0]=4 216 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,0,1,0,0,0|3,0,0]=4 217 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,0,1,0,0,0|3,0,0]=4 218 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,0,1,0,0,0|3,0,0]=4 219 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,0,1,0,0,0|3,0,0]=4 220 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,0,1,0,0,0|3,0,0]=4 221 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,0,1,0,0,0|3,0,0]=4 222 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,0,1,0,0,0|3,0,0]=4 223 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,0,1,0,0,0|3,0,0]=4 224 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,0,1,0,0,0|3,0,0]=4 225 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,0,1,0,0,0|3,0,0]=4 226 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,0,1,0,0,0|3,0,0]=4 227 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,0,1,0,0,0|3,0,0]=4 228 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,0,1,0,0,0|3,0,0]=4 229 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,0,1,0,0,0|3,0,0]=4 230 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,0,1,0,0,0|3,0,0]=4 231 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,0,1,0,0,0|1,0,1]=3 232 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,0,1,0,0,0|1,0,1]=3 233 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,0,1,0,0,0|1,0,1]=3 234 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,0,1,0,0,0|2,0,0]=3 235 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,0,1,0,0,0|2,0,0]=3 236 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,0,1,0,0,0|2,0,0]=3 237 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,0,1,0,0,0|3,0,0]=4 238 B7R0.7 CNNC(=O)NNC 512a_100016993582_100016993582 [0,0,1,0,0,0|3,0,0]=4 239 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [0,0,1,0,0,0|3,0,0]=4 240 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [0,0,1,0,0,0|3,0,0]=4 241 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [0,0,1,0,0,0|3,0,0]=4 242 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [0,0,1,0,0,0|3,0,0]=4 243 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [0,0,1,0,0,0|3,0,0]=4 244 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [0,0,1,0,0,0|3,0,0]=4 245 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,0,1,0|3,0,0]=4 246 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,0,1,0|3,0,0]=4 247 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,0,0,1|3,0,0]=4 248 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,0,0,1|3,0,0]=4 249 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,0,0,1|3,0,0]=4 250 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,0,0,1|3,0,0]=4 251 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,0,0,1|3,0,0]=4 253 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,1,0,0,0|2,0,0]=4 254 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,1,0,0,0|2,0,0]=4 255 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,1,0,0,0|2,0,0]=4 256 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,1,0,0,0|1,0,0]=3 257 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [1,0,1,0,0,0|2,0,0]=4 258 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,1,0,0,0|2,0,0]=4 259 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,1,0,0,0|2,0,0]=4 260 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,0,1,0,0,0|1,0,1]=4 261 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,0,1,0,0,0|1,0,1]=4 262 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,0,1,0,0,0|1,0,1]=4 263 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,0,1,0,0,0|1,0,1]=4 264 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,1,0,0,0|2,0,0]=4 265 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,1,0,0,0|1,0,0]=3 266 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,1,0,0,0|1,0,0]=3 267 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,1,0,0,0|1,0,0]=3 268 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,1,0,0,0|2,0,0]=4 269 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,1,0,0,0|2,0,0]=4 270 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,1,0,0,0|2,0,0]=4 271 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,1,0,0,0|2,0,0]=4 272 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,1,0,0,0|1,0,1]=4 273 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,1,0,0,0|1,0,1]=4 274 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,1,0,0,0|1,0,1]=4 275 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,1,0,0,0|1,0,1]=4 276 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,1,0,0,0|1,0,1]=4 277 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,1,0,0,0|1,0,1]=4 278 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,1,0,0,0|1,0,1]=4 279 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,1,0,0,0|0,0,2]=4 280 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,1,0,0,0|0,0,2]=4 281 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,1,0,0,0|0,0,1]=3 282 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,1,0,0,0|0,0,1]=3 283 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,1,0,0,0|0,0,1]=3 284 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,1,0,0,0|0,0,1]=3 285 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,1,0,0,0|0,0,1]=3 286 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,1,0,0,0|0,0,1]=3 287 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [1,0,1,0,0,0|2,0,0]=4 288 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [1,0,1,0,0,0|2,0,0]=4 289 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [1,0,1,0,0,0|2,0,0]=4 290 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [1,0,1,0,0,0|2,0,0]=4 291 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [1,0,1,0,0,0|2,0,0]=4 292 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [1,0,1,0,0,0|2,0,0]=4 293 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,1,0,0,0|1,0,1]=4 294 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,1,0,0,0|2,0,0]=4 295 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,1,0,0,0|2,0,0]=4 296 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,1,0,0,0|2,0,0]=4 297 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,1,0,0,0|2,0,0]=4 298 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,1,0,0,0|2,0,0]=4 299 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,1,0,0,0|2,0,0]=4 300 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,1,0,0,0|2,0,0]=4 301 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,1,0,0,0|2,0,0]=4 302 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,1,0,0,0|2,0,0]=4 303 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,1,0,0,0|2,0,0]=4 304 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,1,0,0,0|2,0,0]=4 305 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,1,0,0,0|2,0,0]=4 306 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,1,0,0,0|2,0,0]=4 307 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,1,0,0,0|2,0,0]=4 308 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,1,0,0,0|2,0,0]=4 309 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,1,0,0,0|2,0,0]=4 310 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,1,0,0,0|2,0,0]=4 311 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,1,0,0,0|2,0,0]=4 312 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,1,0,0,0|2,0,0]=4 313 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,1,0,0,0|2,0,0]=4 314 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,0,1,0,0,0|1,0,0]=3 315 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,0,1,0,0,0|1,0,0]=3 316 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,0,1,0,0,0|1,0,0]=3 317 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,0,1,0,0,0|2,0,0]=4 318 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,1,0,0,0|2,0,0]=4 319 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,0,1,0,0,0|2,0,0]=4 320 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,0,1,0,0,0|2,0,0]=4 321 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,1,0,0,0|2,0,0]=4 322 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,0,1,0,0,0|2,0,0]=4 323 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,0,1,0,0,0|2,0,0]=4 324 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,0,1,0,0,0|1,0,0]=3 325 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,0,1,0,0,0|1,0,0]=3 326 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,0,1,0,0,0|2,0,0]=4 327 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,0,1,0,0,0|1,0,1]=4 328 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,0,1,0,0,0|1,0,1]=4 329 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,0,1,0,0,0|1,0,1]=4 330 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,0,1,0,0,0|1,0,1]=4 331 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,0,1,0,0,0|1,0,0]=3 332 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,1,0,0,0|2,0,0]=4 333 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,1,0,0,0|2,0,0]=4 334 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,1,0,0,0|2,0,0]=4 335 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,1,0,0,0|2,0,0]=4 336 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,1,0,0,0|1,0,1]=4 337 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,1,0,0,0|1,0,1]=4 338 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,1,0,0,0|1,0,1]=4 339 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 340 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 341 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 342 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,1,0,0,0|2,0,0]=4 343 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,1,0,0,0|1,0,1]=4 344 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,1,0,0,0|1,0,1]=4 345 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,1,0,0,0|2,0,0]=4 346 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,1,0,0,0|2,0,0]=4 347 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,1,0,0,0|2,0,0]=4 348 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,1,0,0,0|2,0,0]=4 349 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,1,0,0,0|2,0,0]=4 350 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,1,0,0,0|2,0,0]=4 351 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,1,0,0,0|1,0,1]=4 352 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,1,0,0,0|1,0,1]=4 353 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,1,0,0,0|1,0,1]=4 354 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,1,0,0,0|1,0,1]=4 355 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,1,0,0,0|1,0,1]=4 356 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,1,0,0,0|1,0,1]=4 357 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,1,0,0,0|2,0,0]=4 358 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,1,0,0,0|2,0,0]=4 359 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,1,0,0,0|2,0,0]=4 360 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,1,0,0,0|2,0,0]=4 361 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,1,0,0,0|1,0,1]=4 362 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,1,0,0,0|0,0,1]=3 363 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,1,0,0,0|0,0,1]=3 364 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,1,0,0,0|0,0,1]=3 365 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,1,0,0,0|1,0,1]=4 366 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,1,0,0,0|2,0,0]=4 367 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,1,0,0,0|2,0,0]=4 368 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,1,0,0,0|1,0,1]=4 369 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,1,0,0,0|1,0,1]=4 370 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,1,0,0,0|1,0,1]=4 371 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,1,0,0,0|1,0,1]=4 372 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,1,0,0,0|1,0,1]=4 373 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,1,0,0,0|1,0,1]=4 374 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,1,0,0,0|1,0,1]=4 375 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,1,0,0,0|1,0,1]=4 376 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,1,0,0,0|1,0,1]=4 377 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,0,1,0,0,0|2,0,0]=4 378 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [1,0,1,0,0,0|2,0,0]=4 379 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [0,1,1,0,0,0|2,0,0]=4 380 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,1,0,0,0|2,0,0]=4 381 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,1,0,0,0|2,0,0]=4 382 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,1,1,0,0,0|1,0,0]=3 383 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,1,1,0,0,0|1,0,0]=3 384 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,1,1,0,0,0|2,0,0]=4 385 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,1,1,0,0,0|1,0,0]=3 386 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [0,1,1,0,0,0|1,0,0]=3 387 B8R0.2 CNC(=O)N(C)C(C)C 2708a_100102657272_200000211004 [0,1,1,0,0,0|1,0,1]=4 388 B8R0.2 CNC(=O)N(C)C(C)C 273464a_100102657272_200000211004 [0,1,1,0,0,0|1,0,1]=4 389 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,1,1,0,0,0|2,0,0]=4 390 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,1,1,0,0,0|2,0,0]=4 391 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,1,1,0,0,0|2,0,0]=4 392 B8R0.2 NC(=O)C(F)C(=O)CO 1458a_100000210174_100009813875 [0,1,1,0,0,0|2,0,0]=4 393 B8R0.5 C#CCC(=O)CC(=O)N 1458a_100011220946_100000187820 [0,1,1,0,0,0|1,0,1]=4 394 B8R0.5 C#CCC(=O)CC(=O)N 1458a_100134613110_100000184674 [0,1,1,0,0,0|1,0,1]=4 395 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100000210193_100000187820 [0,1,1,0,0,0|1,0,1]=4 396 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100134613110_100000210623 [0,1,1,0,0,0|1,0,1]=4 397 B8R0.5 CC#CC(=O)CC(=O)N 1458a_100000763181_100000187820 [0,1,1,0,0,0|1,0,1]=4 398 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,1,1,0,0,0|1,0,0]=3 399 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,1,1,0,0,0|1,0,0]=3 400 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,1,1,0,0,0|1,0,1]=4 401 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [0,1,1,0,0,0|1,0,1]=4 402 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,1,0,0,0|2,0,0]=4 403 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,1,1,0,0,0|1,0,0]=3 404 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,1,1,0,0,0|1,0,0]=3 405 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,1,1,0,0,0|2,0,0]=4 406 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,1,1,0,0,0|2,0,0]=4 407 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,1,1,0,0,0|2,0,0]=4 408 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,1,1,0,0,0|2,0,0]=4 409 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,1,1,0,0,0|2,0,0]=4 410 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,1,1,0,0,0|2,0,0]=4 411 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,1,1,0,0,0|1,0,0]=3 412 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,1,1,0,0,0|1,0,0]=3 413 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,1,1,0,0,0|1,0,0]=3 414 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,1,1,0,0,0|1,0,1]=4 415 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,1,1,0,0,0|1,0,1]=4 416 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,1,1,0,0,0|1,0,1]=4 417 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,1,1,0,0,0|1,0,1]=4 418 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,1,1,0,0,0|1,0,1]=4 419 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,1,0,0,0|2,0,0]=4 420 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,1,0,0,0|2,0,0]=4 421 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,1,0,0,0|2,0,0]=4 422 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,1,1,0,0,0|0,0,0]=2 423 B8R0.5 CNCC(=O)NC(=O)N 2230a_106832991635_100000182717 [0,1,1,0,0,0|0,0,0]=2 424 B8R0.5 CNCC(=O)NC(=O)N 7a_106832991635_100000182717 [0,1,1,0,0,0|0,0,0]=2 425 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,1,1,0,0,0|1,0,1]=4 426 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,1,1,0,0,0|1,0,1]=4 427 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,1,1,0,0,0|1,0,1]=4 428 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,1,1,0,0,0|1,0,1]=4 429 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [0,1,1,0,0,0|2,0,0]=4 430 B8R0.5 CNNC(=O)C=C(C)Cl 22a_100016993582_200042562850 [0,1,1,0,0,0|2,0,0]=4 431 B8R0.5 CNNC(=O)CC(=O)N 22a_100016993582_100134613110 [0,1,1,0,0,0|2,0,0]=4 432 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,1,1,0,0,0|1,0,1]=4 433 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,1,1,0,0,0|1,0,1]=4 434 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,1,1,0,0,0|1,0,1]=4 435 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,1,1,0,0,0|1,0,0]=3 436 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,1,1,0,0,0|2,0,0]=4 437 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,1,1,0,0,0|1,0,0]=3 438 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,1,1,0,0,0|2,0,0]=4 439 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,1,1,0,0,0|1,0,0]=3 440 B8R0.5 CSCC(=O)NC(=O)N 62a_200000210301_100000182717 [0,1,1,0,0,0|0,0,0]=2 441 B8R0.5 N#CCC(=O)CC(=O)N 1458a_100051588842_100000187820 [0,1,1,0,0,0|1,0,1]=4 442 B8R0.5 N#CCC(=O)CC(=O)N 1458a_100134613110_100011214920 [0,1,1,0,0,0|1,0,1]=4 443 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,1,1,0,0,0|1,0,0]=3 444 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,1,1,0,0,0|1,0,0]=3 445 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,1,1,0,0,0|1,0,0]=3 446 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,1,1,0,0,0|2,0,0]=4 447 B8R0.5 [13CH3]SCC(=O)NC(=O)N 62a_200025704644_100000182717 [0,1,1,0,0,0|0,0,0]=2 448 B8R0.19 C#CC(=O)CC(=O)CC 1458a_100000211873_100000747405 [0,1,1,0,0,0|2,0,0]=4 449 B8R0.19 C#CC(=O)CC(=O)NC 1458a_100000211873_100000183359 [0,1,1,0,0,0|1,0,1]=4 450 B8R0.19 C#CC(C)NC(=O)NC 2708a_100000707721_106832991635 [0,1,1,0,0,0|1,0,1]=4 451 B8R0.19 C#CC(C)NC(=O)NC 2708a_100102657272_100000707721 [0,1,1,0,0,0|1,0,1]=4 452 B8R0.19 C#CC(C)NC(=O)NC 273464a_100000707721_100102657272 [0,1,1,0,0,0|1,0,1]=4 453 B8R0.19 C#CC(C)NC(=O)NC 273464a_100102657272_100000707721 [0,1,1,0,0,0|1,0,1]=4 454 B8R0.19 C#CC(C)NC(=O)NC 512a_100000707721_100102657272 [0,1,1,0,0,0|1,0,1]=4 455 B8R0.19 C#CC(C)NC(=O)NC 512a_106832991638_100000707721 [0,1,1,0,0,0|1,0,1]=4 456 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [0,1,1,0,0,0|2,0,0]=4 457 B8R0.19 C=CC(=O)CC(=O)NC 1458a_100000185746_100000183359 [0,1,1,0,0,0|1,0,1]=4 458 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,1,0,0,0|2,0,0]=4 459 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,1,0,0,0|2,0,0]=4 460 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,1,0,0,0|2,0,0]=4 461 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,1,1,0,0,0|2,0,0]=4 462 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,1,0,0,0|2,0,0]=4 463 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,1,1,0,0,0|1,0,0]=3 464 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,1,0,0,0|2,0,0]=4 465 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,1,0,0,0|2,0,0]=4 466 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,1,0,0,0|1,0,1]=4 467 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,1,0,0,0|1,0,1]=4 468 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,1,0,0,0|1,0,1]=4 469 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,1,0,0,0|1,0,1]=4 470 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,1,0,0,0|1,0,1]=4 471 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,1,0,0,0|1,0,1]=4 472 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,1,1,0,0,0|1,0,0]=3 473 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,1,1,0,0,0|1,0,0]=3 474 B8R0.19 CNC(=O)NC(C)C#N 2708a_100000737613_106832991635 [0,1,1,0,0,0|1,0,1]=4 475 B8R0.19 CNC(=O)NC(C)C#N 2708a_100102657272_100000737613 [0,1,1,0,0,0|1,0,1]=4 476 B8R0.19 CNC(=O)NC(C)C#N 273464a_100000737613_100102657272 [0,1,1,0,0,0|1,0,1]=4 477 B8R0.19 CNC(=O)NC(C)C#N 273464a_100102657272_100000737613 [0,1,1,0,0,0|1,0,1]=4 478 B8R0.19 CNC(=O)NC(C)C#N 512a_100000737613_100102657272 [0,1,1,0,0,0|1,0,1]=4 479 B8R0.19 CNC(=O)NC(C)C#N 512a_106832991638_100000737613 [0,1,1,0,0,0|1,0,1]=4 480 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,1,1,0,0,0|1,0,1]=4 481 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,1,1,0,0,0|1,0,1]=4 482 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,1,1,0,0,0|1,0,1]=4 483 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,1,1,0,0,0|1,0,1]=4 484 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,1,1,0,0,0|1,0,1]=4 485 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,1,1,0,0,0|0,0,2]=4 486 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,1,1,0,0,0|0,0,2]=4 487 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,1,1,0,0,0|0,0,2]=4 488 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,1,1,0,0,0|0,0,2]=4 489 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,1,1,0,0,0|2,0,0]=4 490 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,1,1,0,0,0|2,0,0]=4 491 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [0,1,1,0,0,0|1,0,1]=4 492 B8R0.23 CC(=CC(=O)N(C)C)C 11a_100102631434_100000211388 [0,1,1,0,0,0|2,0,0]=4 493 B8R0.23 CC(=CC(=O)N(C)C)C 1626a_100102631434_100000211388 [0,1,1,0,0,0|2,0,0]=4 494 B8R0.23 CC(=CC(=O)N(C)C)C 240690a_100102631434_100000211388 [0,1,1,0,0,0|2,0,0]=4 495 B8R0.23 CC(=CC(=O)N(C)C)Cl 11a_100102631434_200042562850 [0,1,1,0,0,0|2,0,0]=4 496 B8R0.23 CC(=CC(=O)N(C)C)Cl 1626a_100102631434_200042562850 [0,1,1,0,0,0|2,0,0]=4 497 B8R0.23 CC(=CC(=O)N(C)C)Cl 240690a_100102631434_200042562850 [0,1,1,0,0,0|2,0,0]=4 498 B8R0.23 CC(=CC(=O)N(C)C)I 11a_100102631434_100025716642 [0,1,1,0,0,0|2,0,0]=4 499 B8R0.23 CC(=CC(=O)N(C)C)I 1626a_100102631434_100025716642 [0,1,1,0,0,0|2,0,0]=4 500 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,1,0,0,0|2,0,0]=4 501 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,1,0,0,0|2,0,0]=4 502 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,1,0,0,0|1,0,0]=3 503 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,1,1,0,0,0|1,0,0]=3 504 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,1,1,0,0,0|1,0,0]=3 505 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,1,1,0,0,0|2,0,0]=4 506 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [0,1,1,0,0,0|1,0,1]=4 507 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,1,1,0,0,0|1,0,0]=3 508 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [0,1,1,0,0,0|2,0,0]=4 509 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [0,1,1,0,0,0|2,0,0]=4 510 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [0,1,1,0,0,0|2,0,0]=4 511 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,1,1,0,0,0|1,0,0]=3 512 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,1,1,0,0,0|2,0,0]=4 513 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,1,1,0,0,0|1,0,0]=3 514 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,1,1,0,0,0|2,0,0]=4 515 B8R0.23 NC(=O)CC(=O)C(O)O 1458a_100000233687_100000187820 [0,1,1,0,0,0|2,0,0]=4 516 B8R0.24 CCC(=O)CS(=O)(=O)N 1458a_100000210414_100000741382 [0,1,1,0,0,0|2,0,0]=4 517 B8R0.24 CCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210414 [0,1,1,0,0,0|2,0,0]=4 518 B8R0.24 CNC(=O)CS(=O)(=O)C 11a_106832991635_100000744497 [0,1,1,0,0,0|2,0,0]=4 519 B8R0.24 CNC(=O)CS(=O)(=O)C 240690a_100102657272_100000744497 [0,1,1,0,0,0|2,0,0]=4 520 B8R0.24 CNC(=O)CS(=O)(=O)C 527a_100102657272_100000744497 [0,1,1,0,0,0|2,0,0]=4 521 B8R0.24 CNC(=O)NC(C)(C)C 2708a_100102657272_100000715429 [0,1,1,0,0,0|1,0,1]=4 522 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100000715429_100102657272 [0,1,1,0,0,0|1,0,1]=4 523 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100102657272_100000715429 [0,1,1,0,0,0|1,0,1]=4 524 B8R0.24 CNC(=O)NC(C)(C)C 512a_100000715429_100102657272 [0,1,1,0,0,0|1,0,1]=4 525 B8R0.34 CCS(=O)(=O)NC(=O)C 2740a_100000171174_100015343762 [0,1,1,0,0,0|2,0,0]=4 526 B8R0.6 C#CCCNC(=O)NC 2708a_100000755551_106832991635 [0,1,1,0,0,0|1,0,1]=4 527 B8R0.6 C#CCCNC(=O)NC 2708a_100102657272_100000755551 [0,1,1,0,0,0|1,0,1]=4 528 B8R0.6 C#CCCNC(=O)NC 273464a_100000755551_100102657272 [0,1,1,0,0,0|1,0,1]=4 529 B8R0.6 C#CCCNC(=O)NC 273464a_100102657272_100000755551 [0,1,1,0,0,0|1,0,1]=4 530 B8R0.6 C#CCCNC(=O)NC 512a_100000755551_100102657272 [0,1,1,0,0,0|1,0,1]=4 531 B8R0.6 C#CCCNC(=O)NC 512a_106832991638_100000755551 [0,1,1,0,0,0|1,0,1]=4 532 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,1,1,0,0,0|2,0,0]=4 533 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,1,1,0,0,0|2,0,0]=4 534 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,1,1,0,0,0|2,0,0]=4 535 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,1,1,0,0,0|2,0,0]=4 536 B8R0.6 C=CCCNC(=O)C=C 1626a_100015191253_100000185746 [0,1,1,0,0,0|2,0,0]=4 537 B8R0.6 C=CCCNC(=O)C=C 240690a_100015191253_200121576911 [0,1,1,0,0,0|2,0,0]=4 538 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,1,1,0,0,0|2,0,0]=4 539 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,1,1,0,0,0|2,0,0]=4 540 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,1,1,0,0,0|2,0,0]=4 541 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,1,1,0,0,0|2,0,0]=4 542 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [0,1,1,0,0,0|2,0,0]=4 543 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [0,1,1,0,0,0|2,0,0]=4 544 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [0,1,1,0,0,0|1,0,0]=3 545 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [0,1,1,0,0,0|1,0,0]=3 546 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [0,1,1,0,0,0|1,0,0]=3 547 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [0,1,1,0,0,0|1,0,0]=3 548 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [0,1,1,0,0,0|1,0,0]=3 549 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [0,1,1,0,0,0|1,0,0]=3 550 B8R0.6 C=CCNNC(=O)NC 273464a_100102657272_100020588587 [0,1,1,0,0,0|2,0,0]=4 551 B8R0.6 C=CCNNC(=O)NC 512a_100020588587_100102657272 [0,1,1,0,0,0|2,0,0]=4 552 B8R0.6 C=CCNNC(=O)NC 512a_106832991638_100020588587 [0,1,1,0,0,0|2,0,0]=4 553 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,1,1,0,0,0|1,0,1]=4 554 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,1,1,0,0,0|1,0,1]=4 555 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,1,1,0,0,0|1,0,1]=4 556 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,1,1,0,0,0|1,0,1]=4 557 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,1,1,0,0,0|1,0,1]=4 558 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,1,1,0,0,0|1,0,1]=4 559 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,1,1,0,0,0|1,0,1]=4 560 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,1,1,0,0,0|1,0,1]=4 561 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,1,1,0,0,0|1,0,1]=4 562 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,1,1,0,0,0|1,0,1]=4 563 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,1,1,0,0,0|2,0,0]=4 564 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,1,1,0,0,0|2,0,0]=4 565 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [0,1,1,0,0,0|2,0,0]=4 566 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [0,1,1,0,0,0|2,0,0]=4 567 B8R0.6 CNC(=O)NCCC#N 2708a_100000720768_106832991635 [0,1,1,0,0,0|1,0,1]=4 568 B8R0.6 CNC(=O)NCCC#N 2708a_100102657272_100000720768 [0,1,1,0,0,0|1,0,1]=4 569 B8R0.6 CNC(=O)NCCC#N 273464a_100000720768_100102657272 [0,1,1,0,0,0|1,0,1]=4 570 B8R0.6 CNC(=O)NCCC#N 273464a_100102657272_100000720768 [0,1,1,0,0,0|1,0,1]=4 571 B8R0.6 CNC(=O)NCCC#N 512a_100000720768_100102657272 [0,1,1,0,0,0|1,0,1]=4 572 B8R0.6 CNC(=O)NCCC#N 512a_106832991638_100000720768 [0,1,1,0,0,0|1,0,1]=4 573 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,1,1,0,0,0|1,0,1]=4 574 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,1,1,0,0,0|1,0,1]=4 575 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,1,1,0,0,0|1,0,1]=4 576 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,1,1,0,0,0|1,0,1]=4 577 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,1,1,0,0,0|1,0,1]=4 578 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,1,1,0,0,0|1,0,1]=4 579 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,1,1,0,0,0|0,0,2]=4 580 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,1,1,0,0,0|0,0,2]=4 581 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,1,1,0,0,0|0,0,2]=4 582 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,1,1,0,0,0|0,0,2]=4 583 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,1,1,0,0,0|2,0,0]=4 584 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,1,1,0,0,0|2,0,0]=4 585 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,1,1,0,0,0|2,0,0]=4 586 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,1,1,0,0,0|2,0,0]=4 587 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,1,1,0,0,0|2,0,0]=4 588 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,1,1,0,0,0|2,0,0]=4 589 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,1,1,0,0,0|2,0,0]=4 590 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,1,1,0,0,0|2,0,0]=4 591 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,1,1,0,0,0|2,0,0]=4 592 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,1,1,0,0,0|2,0,0]=4 593 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,1,1,0,0,0|2,0,0]=4 594 B8R0.7 C#CCCNCC(=O)N 2230a_100000711301_100000688953 [0,1,1,0,0,0|1,0,1]=4 595 B8R0.7 C#CCCNCC(=O)N 34a_100000755551_100000187820 [0,1,1,0,0,0|1,0,1]=4 596 B8R0.7 C#CCNCCC(=O)N 34a_100000212058_100000731001 [0,1,1,0,0,0|1,0,1]=4 597 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [0,1,1,0,0,0|2,0,0]=4 598 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [0,1,1,0,0,0|2,0,0]=4 599 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [0,1,1,0,0,0|2,0,0]=4 600 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,1,1,0,0,0|2,0,0]=4 601 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,1,1,0,0,0|2,0,0]=4 602 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,1,1,0,0,0|2,0,0]=4 603 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,1,1,0,0,0|2,0,0]=4 604 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,1,1,0,0,0|1,0,0]=3 605 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,1,1,0,0,0|1,0,0]=3 606 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,1,1,0,0,0|2,0,0]=4 607 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,1,1,0,0,0|2,0,0]=4 608 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,1,1,0,0,0|2,0,0]=4 609 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,1,1,0,0,0|2,0,0]=4 610 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,1,1,0,0,0|1,0,0]=3 611 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,1,1,0,0,0|2,0,0]=4 612 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,1,1,0,0,0|2,0,0]=4 613 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,1,1,0,0,0|2,0,0]=4 614 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,1,1,0,0,0|2,0,0]=4 615 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,1,1,0,0,0|2,0,0]=4 616 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,1,1,0,0,0|2,0,0]=4 617 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,1,1,0,0,0|2,0,0]=4 618 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,1,1,0,0,0|2,0,0]=4 619 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,1,1,0,0,0|2,0,0]=4 620 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [0,1,1,0,0,0|2,0,0]=4 621 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [0,1,1,0,0,0|2,0,0]=4 622 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [0,1,1,0,0,0|1,0,1]=4 623 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [0,1,1,0,0,0|2,0,0]=4 624 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [0,1,1,0,0,0|2,0,0]=4 625 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,1,1,0,0,0|1,0,1]=4 626 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,1,1,0,0,0|1,0,1]=4 627 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,1,1,0,0,0|1,0,1]=4 628 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,1,1,0,0,0|1,0,1]=4 629 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,1,1,0,0,0|1,0,1]=4 630 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,1,1,0,0,0|1,0,1]=4 631 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,1,1,0,0,0|1,0,1]=4 632 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,1,1,0,0,0|1,0,1]=4 633 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,1,1,0,0,0|1,0,1]=4 634 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,1,1,0,0,0|2,0,0]=4 635 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,1,1,0,0,0|2,0,0]=4 636 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,1,1,0,0,0|2,0,0]=4 637 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,1,1,0,0,0|2,0,0]=4 638 B8R0.7 N#CCCNCC(=O)N 2230a_100000711301_100011215226 [0,1,1,0,0,0|1,0,1]=4 639 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,1,1,0,0,0|1,0,1]=4 640 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,1,1,0,0,0|1,0,1]=4 641 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,1,1,0,0,0|0,0,2]=4 642 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,1,1,0,0,0|0,0,2]=4 643 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,1,1,0,0,0|1,0,0]=3 644 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,1,1,0,0,0|1,0,0]=3 645 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,1,1,0,0,0|1,0,0]=3 646 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,1,1,0,0,0|1,0,0]=3 647 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,1,1,0,0,0|1,0,1]=4 648 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,1,1,0,0,0|1,0,1]=4 649 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,1,1,0,0,0|1,0,1]=4 650 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,1,1,0,0,0|0,0,2]=4 651 B8R0.7 NC(=O)NCCNCF 34a_100020590234_100015361967 [0,1,1,0,0,0|1,0,1]=4 652 B8R0.7 NC(=O)NCCOCF 34a_100000181757_100015361967 [0,1,1,0,0,0|1,0,1]=4 653 B8R0.7 NC(=O)NCCSCF 62a_100015361967_200000034859 [0,1,1,0,0,0|1,0,1]=4 654 B8R0.7 NC(=O)NCCSCF 62a_200000034859_100015361967 [0,1,1,0,0,0|1,0,1]=4 655 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [0,1,1,0,0,0|2,0,0]=4 656 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [0,1,1,0,0,0|2,0,0]=4 657 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [0,1,1,0,0,0|2,0,0]=4 658 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [0,1,1,0,0,0|2,0,0]=4 659 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [0,1,1,0,0,0|2,0,0]=4 660 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [0,1,1,0,0,0|2,0,0]=4 661 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [0,1,1,0,0,0|2,0,0]=4 662 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [0,1,1,0,0,0|2,0,0]=4 663 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [0,1,1,0,0,0|2,0,0]=4 664 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [0,1,1,0,0,0|2,0,0]=4 665 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [0,1,1,0,0,0|2,0,0]=4 666 B8R0.8 NC(=O)C(F)SCC=O 62a_100009813875_200015260668 [0,1,1,0,0,0|2,0,0]=4 667 B8R0.8 NC(=O)C(F)SCC=O 62a_200015260668_100009813875 [0,1,1,0,0,0|2,0,0]=4 668 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,1,1,0,0,0|1,0,1]=4 669 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,1,1,0,0,0|1,0,1]=4 670 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,1,1,0,0,0|1,0,1]=4 671 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,1,1,0,0,0|1,0,1]=4 672 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,1,1,0,0,0|1,0,1]=4 673 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,1,1,0,0,0|2,0,0]=4 674 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,1,1,0,0,0|1,0,0]=3 675 B8R0.28 CC(=O)CCN=C(N)N 1458a_100000033030_200000210301 [0,1,1,0,0,0|1,0,1]=4 676 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,1,1,0,0,0|1,0,0]=3 677 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,1,1,0,0,0|1,0,0]=3 678 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,1,1,0,0,0|0,0,0]=2 679 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,1,1,0,0,0|0,0,0]=2 680 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,1,1,0,0,0|2,0,0]=4 681 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,1,1,0,0,0|1,0,0]=3 682 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,1,1,0,0,0|2,0,0]=4 683 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,1,1,0,0,0|2,0,0]=4 684 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,1,1,0,0,0|2,0,0]=4 685 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,1,1,0,0,0|0,0,0]=2 686 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,1,1,0,0,0|0,0,0]=2 687 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,1,1,0,0,0|0,0,0]=2 688 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,1,1,0,0,0|1,0,0]=3 689 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,1,1,0,0,0|2,0,0]=4 690 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,1,1,0,0,0|1,0,1]=4 691 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,1,1,0,0,0|1,0,1]=4 692 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,1,1,0,0,0|2,0,0]=4 693 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,1,1,0,0,0|2,0,0]=4 694 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [0,1,1,0,0,0|2,0,0]=4 695 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,1,1,0,0,0|2,0,0]=4 696 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [0,1,1,0,0,0|2,0,0]=4 697 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [0,1,1,0,0,0|2,0,0]=4 698 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [0,1,1,0,0,0|2,0,0]=4 699 B8R0.28 [13CH3]C(=O)CCN=C(N)N 1458a_100000033030_200025704644 [0,1,1,0,0,0|1,0,1]=4 700 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,1,1,0,0,0|0,0,0]=2 701 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,1,1,0,0,0|2,0,0]=4 702 B8R0.1 C#CCNC(=O)NCC 2708a_100000212058_100015525214 [0,1,1,0,0,0|1,0,1]=4 703 B8R0.1 C#CCNC(=O)NCC 2708a_100015525214_100000212058 [0,1,1,0,0,0|1,0,1]=4 704 B8R0.1 C#CCNC(=O)NCC 273464a_100000212058_100015525214 [0,1,1,0,0,0|1,0,1]=4 705 B8R0.1 C#CCNC(=O)NCC 273464a_100015525214_100000212058 [0,1,1,0,0,0|1,0,1]=4 706 B8R0.1 C#CCNC(=O)NCC 512a_100000212058_100015525214 [0,1,1,0,0,0|1,0,1]=4 707 B8R0.1 C#CCNC(=O)NCC 512a_100015525214_100000212058 [0,1,1,0,0,0|1,0,1]=4 708 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,1,1,0,0,0|2,0,0]=4 709 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,1,1,0,0,0|2,0,0]=4 710 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,1,1,0,0,0|2,0,0]=4 711 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,1,1,0,0,0|2,0,0]=4 712 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [0,1,1,0,0,0|2,0,0]=4 713 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [0,1,1,0,0,0|2,0,0]=4 714 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [0,1,1,0,0,0|2,0,0]=4 715 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [0,1,1,0,0,0|2,0,0]=4 716 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [0,1,1,0,0,0|2,0,0]=4 717 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [0,1,1,0,0,0|2,0,0]=4 718 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [0,1,1,0,0,0|2,0,0]=4 719 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,1,1,0,0,0|2,0,0]=4 720 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,1,1,0,0,0|2,0,0]=4 721 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,1,1,0,0,0|2,0,0]=4 722 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,1,1,0,0,0|2,0,0]=4 723 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,1,1,0,0,0|2,0,0]=4 724 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,1,1,0,0,0|2,0,0]=4 725 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [0,1,1,0,0,0|2,0,0]=4 726 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,1,1,0,0,0|1,0,0]=3 727 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,1,1,0,0,0|1,0,0]=3 728 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,1,1,0,0,0|1,0,0]=3 729 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,1,1,0,0,0|1,0,0]=3 730 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,1,1,0,0,0|1,0,0]=3 731 B8R0.1 C=CCNC(=O)NNC 273464a_100020586998_100016993582 [0,1,1,0,0,0|2,0,0]=4 732 B8R0.1 C=CCNC(=O)NNC 512a_100016993582_100020586998 [0,1,1,0,0,0|2,0,0]=4 733 B8R0.1 C=CCNC(=O)NNC 512a_100020586998_100016993582 [0,1,1,0,0,0|2,0,0]=4 734 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,1,1,0,0,0|2,0,0]=4 735 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,1,0,0,0|2,0,0]=4 736 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,1,0,0,0|2,0,0]=4 737 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,1,0,0,0|2,0,0]=4 738 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [0,1,1,0,0,0|2,0,0]=4 739 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [0,1,1,0,0,0|2,0,0]=4 740 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [0,1,1,0,0,0|2,0,0]=4 741 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [0,1,1,0,0,0|2,0,0]=4 742 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [0,1,1,0,0,0|2,0,0]=4 743 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,1,1,0,0,0|2,0,0]=4 744 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,1,1,0,0,0|2,0,0]=4 745 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,1,1,0,0,0|2,0,0]=4 746 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,1,1,0,0,0|2,0,0]=4 747 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,1,0,0,0|2,0,0]=4 748 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,1,0,0,0|2,0,0]=4 749 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [0,1,1,0,0,0|2,0,0]=4 750 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [0,1,1,0,0,0|2,0,0]=4 751 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [0,1,1,0,0,0|2,0,0]=4 752 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [0,1,1,0,0,0|2,0,0]=4 753 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [0,1,1,0,0,0|2,0,0]=4 754 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [0,1,1,0,0,0|2,0,0]=4 755 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,1,0,0,0|1,0,1]=4 756 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,1,0,0,0|1,0,1]=4 757 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,1,0,0,0|1,0,1]=4 758 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,1,0,0,0|1,0,1]=4 759 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,1,0,0,0|1,0,1]=4 760 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,1,0,0,0|1,0,1]=4 761 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,1,1,0,0,0|2,0,0]=4 762 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,1,1,0,0,0|2,0,0]=4 763 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,1,1,0,0,0|2,0,0]=4 764 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,1,1,0,0,0|1,0,1]=4 765 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,1,0,0,0|1,0,1]=4 766 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,1,0,0,0|1,0,1]=4 767 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,1,0,0,0|1,0,1]=4 768 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,1,0,0,0|1,0,1]=4 769 B8R0.1 CCNC(=O)NCC#N 2708a_100000734998_100015525214 [0,1,1,0,0,0|1,0,1]=4 770 B8R0.1 CCNC(=O)NCC#N 273464a_100000734998_100015525214 [0,1,1,0,0,0|1,0,1]=4 771 B8R0.1 CCNC(=O)NCC#N 273464a_100015525214_100000734998 [0,1,1,0,0,0|1,0,1]=4 772 B8R0.1 CCNC(=O)NCC#N 512a_100000734998_100015525214 [0,1,1,0,0,0|1,0,1]=4 773 B8R0.1 CCNC(=O)NCC#N 512a_100015525214_100000734998 [0,1,1,0,0,0|1,0,1]=4 774 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,1,1,0,0,0|1,0,1]=4 775 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,1,1,0,0,0|1,0,1]=4 776 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,1,1,0,0,0|1,0,1]=4 777 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,1,1,0,0,0|1,0,1]=4 778 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,1,0,0,0|0,0,2]=4 779 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,1,0,0,0|0,0,2]=4 780 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,1,0,0,0|0,0,2]=4 781 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,1,0,0,0|0,0,2]=4 782 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,1,1,0,0,0|1,0,1]=4 783 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,1,1,0,0,0|1,0,1]=4 784 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,1,1,0,0,0|0,0,2]=4 785 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,1,1,0,0,0|1,0,1]=4 786 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,1,1,0,0,0|1,0,1]=4 787 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,1,1,0,0,0|1,0,1]=4 788 B8R0.1 CCNNC(=O)NNC 512a_100000756455_100016993582 [0,1,1,0,0,0|2,0,0]=4 789 B8R0.1 CCNNC(=O)NNC 512a_100016993582_100000756455 [0,1,1,0,0,0|2,0,0]=4 790 B8R0.1 CNNC(=O)NCCF 273464a_100000724931_100016993582 [0,1,1,0,0,0|2,0,0]=4 791 B8R0.1 CNNC(=O)NCCF 512a_100016993582_100000724931 [0,1,1,0,0,0|2,0,0]=4 792 B8R0.1 CNNC(=O)NCCO 273464a_100000210304_100016993582 [0,1,1,0,0,0|2,0,0]=4 793 B8R0.1 CNNC(=O)NCCO 512a_100016993582_100000210304 [0,1,1,0,0,0|2,0,0]=4 794 B8R0.1 O=C(C=CBr)NCCF 1626a_100000724931_100016273825 [0,1,1,0,0,0|2,0,0]=4 795 B8R0.1 O=C(C=CBr)NCCF 240690a_100000724931_100016273825 [0,1,1,0,0,0|2,0,0]=4 796 B8R0.1 O=C(C=CBr)NCCO 240690a_100000210304_100016273825 [0,1,1,0,0,0|2,0,0]=4 797 B8R0.1 O=C(C=CCl)NCCF 11a_100000724931_200016279998 [0,1,1,0,0,0|2,0,0]=4 798 B8R0.1 O=C(C=CCl)NCCF 1626a_100000724931_200016279998 [0,1,1,0,0,0|2,0,0]=4 799 B8R0.1 O=C(C=CCl)NCCF 240690a_100000724931_200016279998 [0,1,1,0,0,0|2,0,0]=4 800 B8R0.1 O=C(C=CCl)NCCO 240690a_100000210304_200016279998 [0,1,1,0,0,0|2,0,0]=4 801 B8R0.1 O=C(C=CI)NCCF 1626a_100000724931_100016256311 [0,1,1,0,0,0|2,0,0]=4 802 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,1,1,0,0,0|2,0,0]=4 803 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,1,1,0,0,0|2,0,0]=4 804 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,1,1,0,0,0|2,0,0]=4 805 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,1,1,0,0,0|2,0,0]=4 806 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,1,1,0,0,0|2,0,0]=4 807 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,1,1,0,0,0|2,0,0]=4 808 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,1,1,0,0,0|2,0,0]=4 809 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,1,1,0,0,0|2,0,0]=4 810 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,1,1,0,0,0|2,0,0]=4 811 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,1,1,0,0,0|2,0,0]=4 812 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,1,1,0,0,0|2,0,0]=4 813 B8R0.3 CCN(C)C(=O)C=CBr 1626a_100000225621_100016273825 [0,1,1,0,0,0|2,0,0]=4 814 B8R0.3 CCN(C)C(=O)C=CBr 240690a_100000225621_100016273825 [0,1,1,0,0,0|2,0,0]=4 815 B8R0.3 CCN(C)C(=O)C=CCl 11a_100000225621_200016279998 [0,1,1,0,0,0|2,0,0]=4 816 B8R0.3 CCN(C)C(=O)C=CCl 1626a_100000225621_200016279998 [0,1,1,0,0,0|2,0,0]=4 817 B8R0.3 CCN(C)C(=O)C=CCl 240690a_100000225621_200016279998 [0,1,1,0,0,0|2,0,0]=4 818 B8R0.3 CCN(C)C(=O)C=CI 1626a_100000225621_100016256311 [0,1,1,0,0,0|2,0,0]=4 819 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,1,1,0,0,0|1,0,1]=4 820 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,1,1,0,0,0|1,0,1]=4 821 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,0,1,0|1,0,1]=4 822 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,0,1,0|1,0,1]=4 823 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,0,1,0|0,0,2]=4 824 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,0,1,0|1,0,1]=4 825 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,0,1,0|1,0,1]=4 826 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,0,1,0|0,0,2]=4 827 B10R1.332 C[C@H]1CNC(=O)CCN1C 2230a_102125656889_200000210301 [0,1,0,0,0,1|1,0,1]=4 828 B10R1.332 C[C@H]1CNC(=O)CCN1C 269982a_102125656889_200000210301 [0,1,0,0,0,1|1,0,1]=4 829 B10R1.332 C[C@H]1CNC(=O)CCN1C 34a_102125656889_200000210301 [0,1,0,0,0,1|1,0,1]=4 830 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 2230a_102125656889_200025704644 [0,1,0,0,0,1|1,0,1]=4 831 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 269982a_102125656889_200025704644 [0,1,0,0,0,1|1,0,1]=4 832 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 34a_102125656889_200025704644 [0,1,0,0,0,1|1,0,1]=4 833 B10R1.8 C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100011290941_100000015670 [0,2,0,0,0,0|0,0,2]=4 834 B10R1.8 CNc1cc(=O)[nH]c(=O)[nH]1 27a_100102657272_100000015670 [0,2,0,0,0,0|0,0,2]=4 835 B10R1.8 CSc1cc(=O)[nH]c(=O)[nH]1 62a_200000210301_100000015670 [0,2,0,0,0,0|0,0,2]=4 836 B10R1.8 [13CH3]Sc1cc(=O)[nH]c(=O)[nH]1 62a_200025704644_100000015670 [0,2,0,0,0,0|0,0,2]=4 837 B10R1.10 O=CCN1CCNC(=O)C1 2230a_100000184651_200015260668 [0,2,0,0,0,0|2,0,0]=4 838 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,2,0,0,0,0|1,0,1]=4 839 B10R1.113 CC(=O)N1CCNC(=O)C1 11a_100000184651_100015343762 [0,2,0,0,0,0|2,0,0]=4 840 B10R1.113 CC(=O)N1CCNC(=O)C1 1626a_100000184651_100015343762 [0,2,0,0,0,0|2,0,0]=4 841 B10R1.113 CC(=O)N1CCNC(=O)C1 240690a_100000184651_100015343762 [0,2,0,0,0,0|2,0,0]=4 842 B10R1.113 CC(=O)N1CCNC(=O)C1 527a_100000184651_100103153847 [0,2,0,0,0,0|2,0,0]=4 843 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,2,0,0,0,0|1,0,1]=4 844 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,2,0,0,0,0|1,0,1]=4 845 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,2,0,0,0,0|1,0,1]=4 846 B10R1.22 Cc1c([nH]c(=O)[nH]c1=O)O 271570a_203496583355_200009866310 [0,2,0,0,0,0|0,0,2]=4 847 B10R1.22 Cn1c(=O)cc([nH]c1=O)O 271570a_203496583355_100000723047 [0,2,0,0,0,0|0,0,2]=4 848 B10R1.22 Cn1c(cc(=O)[nH]c1=O)O 271570a_203496583355_100000093302 [0,2,0,0,0,0|0,0,2]=4 849 B10R1.245 CNC1C(=O)CCCC1=O 2230a_106832991635_100009814513 [0,2,0,0,0,0|2,0,0]=4 850 B10R1.245 CNC1C(=O)CCCC1=O 7a_106832991635_100009814513 [0,2,0,0,0,0|2,0,0]=4 851 B10R1.245 CSC1C(=O)CCCC1=O 62a_100009814513_200000210301 [0,2,0,0,0,0|2,0,0]=4 852 B10R1.245 CSC1C(=O)CCCC1=O 62a_200000210301_100009814513 [0,2,0,0,0,0|2,0,0]=4 853 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_100009814513_200025704644 [0,2,0,0,0,0|2,0,0]=4 854 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_200025704644_100009814513 [0,2,0,0,0,0|2,0,0]=4 855 B10R1.25 C=Cc1n[nH]c(=O)[nH]c1=O 271570a_100011290941_100000181694 [0,2,0,0,0,0|1,0,1]=4 856 B10R1.25 CNC1CCC(=O)NC1=O 2230a_100000691121_200000210301 [0,2,0,0,0,0|1,0,0]=3 857 B10R1.25 CNC1CCC(=O)NC1=O 2230a_106832991635_100000694648 [0,2,0,0,0,0|1,0,0]=3 858 B10R1.25 CNC1CCC(=O)NC1=O 34a_100000691121_200000210301 [0,2,0,0,0,0|1,0,0]=3 859 B10R1.25 CNC1CCC(=O)NC1=O 7a_106832991635_100000694648 [0,2,0,0,0,0|1,0,0]=3 860 B10R1.25 CNc1n[nH]c(=O)[nH]c1=O 27a_100102657272_100000181694 [0,2,0,0,0,0|1,0,1]=4 861 B10R1.25 CSC1CCC(=O)NC1=O 62a_100000694648_200000210301 [0,2,0,0,0,0|1,0,0]=3 862 B10R1.25 CSC1CCC(=O)NC1=O 62a_200000210301_100000694648 [0,2,0,0,0,0|1,0,0]=3 863 B10R1.25 CSc1n[nH]c(=O)[nH]c1=O 62a_200000210301_100000181694 [0,2,0,0,0,0|1,0,1]=4 864 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 2230a_100000691121_200025704644 [0,2,0,0,0,0|1,0,0]=3 865 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 34a_100000691121_200025704644 [0,2,0,0,0,0|1,0,0]=3 866 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_100000694648_200025704644 [0,2,0,0,0,0|1,0,0]=3 867 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_200025704644_100000694648 [0,2,0,0,0,0|1,0,0]=3 868 B10R1.25 [13CH3]Sc1n[nH]c(=O)[nH]c1=O 62a_200025704644_100000181694 [0,2,0,0,0,0|1,0,1]=4 869 B10R1.118 Cn1cc(c(=O)[nH]c1=O)O 271570a_203496583355_100000185368 [0,2,0,0,0,0|0,0,2]=4 870 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,1,1,0,0|2,0,0]=4 871 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,0,1,1,0,0|1,0,1]=4 872 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,0,1,1,0,0|1,0,1]=4 873 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,0,1,1,0,0|1,0,1]=4 874 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,0,1,1,0,0|1,0,1]=4 875 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,0,1,1,0,0|1,0,1]=4 876 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,1,0,1,0|2,0,0]=4 877 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,1,0,1,0|2,0,0]=4 878 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,0,1,0,1,0|1,0,1]=4 879 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,0,1,0,1,0|1,0,1]=4 880 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,1,0,1,0|2,0,0]=4 881 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,0,1,0,1,0|1,0,0]=3 882 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,0,1,0,1,0|1,0,0]=3 883 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,0,1,0,1,0|1,0,1]=4 884 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,0,1,0,1,0|1,0,1]=4 885 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,0,1,0,1,0|1,0,1]=4 886 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,0,1,0,1,0|1,0,1]=4 887 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,1,0,1,0|0,0,0]=2 888 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,0,1,0,1,0|1,0,0]=3 889 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,1,0,1,0|0,0,0]=2 890 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,0,1,0,1,0|1,0,1]=4 891 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,0,1,0,1,0|1,0,1]=4 892 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,0,1,0,1,0|1,0,1]=4 893 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,0,1,0,1,0|1,0,1]=4 894 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,0,1,0,1,0|1,0,1]=4 895 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,0,1,0,1,0|1,0,1]=4 896 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,0,1,0,1,0|1,0,1]=4 897 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,0,1,0,1,0|1,0,1]=4 898 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,0,1,0,1,0|2,0,0]=4 899 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,0,1,0,1,0|0,0,2]=4 900 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,0,1,0,1,0|0,0,2]=4 901 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,0,1,0,1,0|0,0,2]=4 902 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,1,0,1,0|1,0,1]=4 903 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,1,0,1,0|1,0,1]=4