0 B9R1.35 NC1=NC(C(=O)O)CS1 SC-88521 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 NC1C=C(C(=O)O)CC1 SC-51450 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 SC-23776 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 SC-24076 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 O=C(O)C1CC(O)CN1 SC-29014 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SC-52573 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CO1 SC-66730 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-52422 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-22199 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.1 O=C1N[C@H](CO)CO1 SC-33358 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.7 CC(=O)C1CCCC1 SC-34558 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.7 NC(=O)[C@H]1CCCN1 SC-09817 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.7 O=C(Cl)C1CCOC1 SC-45575 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.7 O=C(O)C1C=CCN1 SC-50874 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.7 O=C(O)[C@@H]1C=CCN1 SC-21522 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 O=C(O)[C@H]1C=CCN1 SC-52280 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.7 O=C(O)[C@H]1CCOC1 SC-25181 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.7 OC(=S)[C@H]1CCCO1 SC-28168 [1,0,0,0,0,0|1,1,1]=4 18 B8R1.7 [C@@H]1(C(N)=O)CCCN1 SC-09818 [1,0,0,0,0,0|1,0,1]=3 19 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 SC-33725 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.14 COC(=O)[C@@H]1COC(=O)N1 SC-69291 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.14 O=C1CC[C@@H](C(=O)CCl)N1 SC-48738 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.59 NC1CS(=O)CC1C(=O)O SC-29867 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 SC-29409 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.8 CCOC[C@H](N)C(=O)O SC-68756 [0,0,1,0,0,0|2,0,1]=4 25 B8R0.8 COCC[C@@H](N)C(=O)O SC-49310 [0,0,1,0,0,0|2,0,0]=3 26 B8R0.8 CSCC[C@H](N)C(=O)O SC-09744 [0,0,1,0,0,0|2,0,0]=3 27 B8R0.8 NCCC[C@H](N)C(=O)O SC-10386 [0,0,1,0,0,0|1,0,1]=3 28 B8R0.9 COC(=O)CCC(N)=O SC-88449 [0,0,1,0,0,0|3,0,0]=4 29 B8R0.9 NCC(=O)CCC(=O)O SC-52394 [0,0,1,0,0,0|2,0,0]=3 30 B8R0.9 NCC(=O)NCC(=O)O SC-17448 [0,0,1,0,0,0|1,0,0]=2 31 B8R0.23 CC(=O)N[C@@H](C)C(=O)O SC-09273 [0,0,1,0,0,0|0,0,0]=1 32 B8R0.23 CC(=O)O[C@@H](C)C(N)=S SC-53477 [0,0,1,0,0,0|2,1,0]=4 33 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-05405 [0,0,1,0,0,0|3,0,0]=4 34 B8R0.23 NC(=O)NC(O)C(=O)O SC-49973 [0,0,1,0,0,0|2,0,0]=3 35 B8R0.23 O=C(O)CC(O)C(=O)O SC-19305 [0,0,1,0,0,0|3,0,0]=4 36 B8R0.23 O=C(O)CC(O)C(=O)O SC-43909 [0,0,1,0,0,0|3,0,0]=4 37 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O SC-04187 [0,0,1,0,0,0|3,0,0]=4 38 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SC-26843 [0,0,1,0,0,0|3,0,0]=4 39 B8R0.23 [C@@H](C)(OC(C)=O)C(=O)O SC-08840 [0,0,1,0,0,0|1,0,0]=2 40 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,0,1,0,0,0|2,0,0]=3 41 B8R0.28 CC(=O)C\C=C\C(=O)O SC-70039 [0,0,1,0,0,0|1,0,2]=4 42 B8R0.28 N=C(N)NCCC(=O)O SC-46005 [0,0,1,0,0,0|2,0,0]=3 43 B8R0.28 NC(=O)CCCC(N)=O SC-87623 [0,0,1,0,0,0|1,0,0]=2 44 B8R0.28 O=C(O)CCCC(=O)O SC-16305 [0,0,1,0,0,0|1,0,0]=2 45 B8R0.28 O=C(O)CSCC(=O)O SC-19008 [0,0,1,0,0,0|2,0,0]=3 46 B10R2.357 O=C(O)C1CC2CC2C1 SC-25088 [0,0,0,1,0,0|2,0,1]=4 47 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 SC-84318 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.23 CC(=O)N1CC(=O)C1 SC-49225 [0,0,0,0,1,0|3,0,0]=4 49 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-70419 [0,0,0,0,1,0|2,0,1]=4 50 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SC-96294 [0,0,0,0,1,0|1,0,2]=4 51 B8R1.23 O=C1CC(C(=O)O)N1 SC-51258 [0,0,0,0,1,0|0,0,0]=1 52 B8R1.23 [C@@H]1(C(=O)O)CC(=O)N1 SC-15020 [0,0,0,0,1,0|0,0,0]=1 53 B10R1.13 CN1CCC(C(=O)O)CC1 SC-26675 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 SC-51226 [0,0,0,0,0,1|0,0,2]=3 55 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 SC-51087 [0,0,0,0,0,1|1,0,2]=4 56 B10R1.13 O=C1C=CC(C(=O)O)=NN1 SC-49079 [0,0,0,0,0,1|0,0,3]=4 57 B10R1.13 O=C1CNC(C(=O)O)CN1 SC-47913 [0,0,0,0,0,1|1,0,0]=2 58 B10R1.54 O=C1CCC(C[N+](=O)[O-])C1 SC-33861 [0,0,0,0,0,1|2,0,1]=4 59 B10R1.113 CC1CCCC(C(=O)O)C1 SC-52381 [0,0,0,0,0,1|2,0,1]=4 60 B10R1.113 O=C(O)C1CNCC(O)C1 SC-26985 [0,0,0,0,0,1|1,0,2]=4 61 B10R1.113 O=C(O)C1CNCC(O)C1 SC-51267 [0,0,0,0,0,1|1,0,2]=4 62 B7R0.4 C=CCOCC(=O)O SC-35140 [1,0,1,0,0,0|2,0,0]=4 63 B7R0.4 O=C(O)CCCCCl SC-57902 [1,0,1,0,0,0|1,0,1]=4 64 B7R0.5 C#CCC(N)C(=O)O SC-70414 [1,0,1,0,0,0|0,0,2]=4 65 B7R0.5 C=CCC(N)C(=O)O SC-14116 [1,0,1,0,0,0|0,0,1]=3 66 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [1,0,1,0,0,0|1,0,1]=4 67 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [1,0,1,0,0,0|1,0,1]=4 68 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [1,0,1,0,0,0|1,0,1]=4 69 B7R0.5 COCC(N)C(=O)O SC-43930 [1,0,1,0,0,0|1,0,1]=4 70 B7R0.5 NCCC(O)C(=O)O SC-16245 [1,0,1,0,0,0|2,0,0]=4 71 B7R0.6 CC(=O)NCB(O)O SC-87534 [1,0,1,0,0,0|1,0,1]=4 72 B7R0.6 CC(=O)OCC(=O)Cl SC-17748 [1,0,1,0,0,0|2,0,0]=4 73 B7R0.6 CC(=O)OCC(=O)O SC-65254 [1,0,1,0,0,0|1,0,0]=3 74 B7R1.2 CC1CCC(=O)N1 SC-89347 [2,0,0,0,0,0|0,0,1]=3 75 B7R1.2 CC1CNC(=O)N1 SC-65644 [2,0,0,0,0,0|1,0,1]=4 76 B7R1.2 CC1CNC(=O)N1 SC-67475 [2,0,0,0,0,0|1,0,1]=4 77 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [2,0,0,0,0,0|1,0,1]=4 78 B7R1.2 C[C@@H]1COC(=O)N1 SC-43641 [2,0,0,0,0,0|1,0,1]=4 79 B7R1.2 C[C@@H]1COC(=O)N1 SC-51055 [2,0,0,0,0,0|1,0,1]=4 80 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [2,0,0,0,0,0|1,0,1]=4 81 B7R1.2 O=C1CCC(Cl)O1 SC-69818 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.2 O=C1CNC(=O)N1 SC-46970 [2,0,0,0,0,0|1,0,1]=4 83 B7R1.2 O=C1C[C@@H](O)CO1 SC-49425 [2,0,0,0,0,0|2,0,0]=4 84 B9R0.6 CCCC(C)C(N)C(=O)O SC-45629 [0,1,1,0,0,0|1,0,1]=4 85 B9R0.7 C=C(C)CC[C@H](C)C(=O)O SC-31724 [0,1,1,0,0,0|2,0,0]=4 86 B9R0.7 CC(CCC(=O)O)C(=O)O SC-53293 [0,1,1,0,0,0|1,0,0]=3 87 B9R0.7 NC(=O)NC[C@H](N)C(=O)O SC-66318 [0,1,1,0,0,0|1,0,0]=3 88 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-49449 [0,1,1,0,0,0|0,0,0]=2 89 B9R0.8 COC(=O)[C@H](N)CCCN SC-10414 [0,1,1,0,0,0|1,0,1]=4 90 B9R0.13 C=CCC[C@@H](C=C)C(=O)O SC-31454 [0,1,1,0,0,0|2,0,0]=4 91 B9R0.13 C=CCC[C@H](C=C)C(=O)O SC-31713 [0,1,1,0,0,0|2,0,0]=4 92 B9R0.47 C=CCCC[C@@H](C)C(=O)O SC-31827 [0,1,1,0,0,0|2,0,0]=4 93 B9R0.47 C=CCCC[C@H](C)C(=O)O SC-31058 [0,1,1,0,0,0|2,0,0]=4 94 B9R0.47 C=CCSC[C@H](N)C(=O)O SC-10023 [0,1,1,0,0,0|1,0,0]=3 95 B9R0.47 CC[Se]CCC(N)C(=O)O SC-69852 [0,1,1,0,0,0|1,0,1]=4 96 B9R0.47 COCCC[C@@H](N)C(=O)O SC-49289 [0,1,1,0,0,0|0,0,2]=4 97 B9R0.47 CSCCC[C@@H](N)C(=O)O SC-49287 [0,1,1,0,0,0|0,1,1]=4 98 B9R0.47 NCCCCC(N)C(=O)O SC-09671 [0,1,1,0,0,0|1,0,1]=4 99 B9R0.47 NCCCCC(N)C(=O)O SC-20502 [0,1,1,0,0,0|1,0,1]=4 100 B9R0.47 NCCCC[C@H](N)C(=O)O SC-22201 [0,1,1,0,0,0|1,0,1]=4 101 B9R0.23 COC(=O)[C@H](N)CC(=O)O SC-65762 [0,1,1,0,0,0|2,0,0]=4 102 B9R0.1 COC(=O)CSCC(C)=O SC-68739 [0,1,1,0,0,0|2,0,0]=4 103 B9R1.11 COC(=O)C1C=CCN1 SC-51004 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.11 COC(=O)C1CCCO1 SC-03960 [1,1,0,0,0,0|1,0,1]=4 105 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-21501 [1,1,0,0,0,0|0,0,1]=3 106 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-28867 [1,1,0,0,0,0|0,0,1]=3 107 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-52270 [1,1,0,0,0,0|0,0,1]=3 108 B9R1.41 CN1CCC[C@H]1C(=O)O SC-23602 [1,1,0,0,0,0|0,0,1]=3 109 B9R1.41 NC1CCCC1C(=O)O SC-29667 [1,1,0,0,0,0|1,0,1]=4 110 B9R1.41 NC1CCNC1C(=O)O SC-49345 [1,1,0,0,0,0|0,0,1]=3 111 B9R1.41 NC1CCSC1C(=O)O SC-29866 [1,1,0,0,0,0|1,0,1]=4 112 B9R1.41 NC1CSCC1C(=O)O SC-30185 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.41 O=C(O)C1CCCC1=O SC-53677 [1,1,0,0,0,0|1,0,1]=4 114 B9R1.163 CC1(C(=O)O)CCCN1 SC-26124 [1,1,0,0,0,0|0,0,1]=3 115 B9R1.163 CC1(C(=O)O)CCNC1 SC-69239 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.163 C[C@@]1(C(N)=O)CCCN1 SC-88089 [1,1,0,0,0,0|1,0,1]=4 117 B9R1.163 NC1(C(=O)O)CCNC1 SC-49720 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.55 C=C1CC(C(=O)O)C1N SC-29613 [0,1,0,0,1,0|2,0,0]=4 119 B9R1.52 C=C1CC(N)C1C(=O)O SC-29552 [0,1,0,0,1,0|1,0,0]=3 120 B11R1.3 O=CN1CCC(C(=O)O)CC1 SC-53566 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.21 NC1CCC(C(=O)O)NC1=O SC-49698 [0,1,0,0,0,1|1,0,1]=4 122 B11R1.22 COC(=O)N1CCC(=O)CC1 SC-50308 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.220 NC1(C(=O)O)CCC(=O)CC1 SC-66786 [0,1,0,0,0,1|1,0,0]=3 124 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 SC-50422 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.23 COC(=O)C1CC(=O)CCO1 SC-65890 [0,1,0,0,0,1|1,0,0]=3 126 B11R1.74 NC1CC(=O)NC(C(=O)O)C1 SC-69983 [0,1,0,0,0,1|0,0,0]=2 127 B11R1.15 O=C1CC[C@@H](C(=O)OCCl)N1 SC-69816 [0,2,0,0,0,0|0,0,0]=2 128 B11R1.44 COC(=O)C1CCC(OC)N1 SC-52730 [0,2,0,0,0,0|0,0,2]=4 129 B11R1.225 C=C1CC(N)C(C(=O)OC)C1 SC-26485 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.226 COC(=O)C1CC(=O)N(C)C1 SC-49016 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.50 NC1C\C(=C/F)CC1C(=O)O SC-29685 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.175 O=C(O)C1CCC(C(=O)O)N1 SC-49849 [0,2,0,0,0,0|0,0,1]=3 133 B11R1.488 NC1CS(=O)(=O)CC1C(=O)O SC-30065 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.738 NC1(C(=O)O)CCS(=O)(=O)C1 SC-29871 [0,2,0,0,0,0|2,0,0]=4 135 B9R1.6 O=C(O)C1CC=CCC1 SC-79651 [0,0,1,1,0,0|2,0,0]=4 136 B9R1.6 O=C(O)[C@@H]1CCCNN1 SC-49631 [0,0,1,1,0,0|1,0,1]=4 137 B9R1.93 C=CC1CC1(N)C(=O)O SC-69330 [0,0,1,1,0,0|1,0,0]=3 138 B9R1.93 C=CC1CC1(N)C(=O)O SC-70890 [0,0,1,1,0,0|1,0,0]=3 139 B9R1.112 N[C@@H](CC1CC1)C(=O)O SC-20866 [0,0,1,1,0,0|1,0,1]=4 140 B7R1.18 O=C(O)C1CCN1 SC-53260 [1,0,0,0,1,0|0,0,0]=2 141 B7R1.12 CC1CC1C(=O)O SC-71058 [0,0,0,0,2,0|1,0,1]=4 142 B9R1.13 O=C(O)CC1CCCC1 SC-65869 [1,0,0,0,0,1|1,0,1]=4 143 B9R1.13 O=C(O)CC1CCNC1 SC-48282 [1,0,0,0,0,1|2,0,0]=4 144 B11R1.20 O=C(O)CN1CCC(=O)CC1 SC-50803 [0,0,0,0,0,2|2,0,0]=4