0 B8R0.28 CN(C)CCCC(=O)O AC-51576 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.28 CN(C)C\C=C\C(=O)O AC-71519 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.28 CN(C)C\C=C\C(=O)O AC-77445 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 C=CCNCC(=O)O AC-32135 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.4 CC(=O)CCCCBr AC-77132 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 CCCCCB(O)O AC-77216 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.4 CCO\C=C\C(=O)O AC-28683 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 CNCCCC(=O)O AC-81313 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.7 CC(C)C(=O)NCC(=O)O AC-81387 [0,1,0,0,0,0|1,0,1]=3 9 B9R0.7 NC(=O)CCC(N)C(=O)O AC-17051 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.7 NC(=O)[C@H](N)CCC(=O)O AC-80669 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.7 NC(CCC(=O)O)C(=O)O AC-65809 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.7 N[C@H](CCC(=O)O)C(=O)O AC-10287 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.35 CC(=O)N1CCC(Br)C1 AC-94637 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.35 CC(=O)N1CCC(N)C1 AC-45636 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.35 CC(=O)N1CCC(N)C1 AC-85189 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 CN1CCC(C(=O)O)C1 AC-31739 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.35 CN1CCC(C(=O)O)C1 AC-50464 [0,0,0,1,0,0|1,0,0]=2 18 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 AC-66634 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.35 NC(=O)C1CC(F)CN1 AC-95160 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 AC-80367 [0,0,0,1,0,0|1,0,0]=2 21 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 AC-79269 [0,0,0,1,0,0|1,0,0]=2 22 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC-45056 [0,0,0,1,0,0|1,0,0]=2 23 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 AC-83227 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AC-16840 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 AC-83990 [0,0,0,1,0,0|1,0,0]=2 26 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 AC-85839 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 AC-16841 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 AC-66775 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.35 O=C1CC(C(=O)O)CN1 AC-57457 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.35 O=C1CCC(C(=O)O)N1 AC-24041 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.35 O=C1CC[C@H](C(=O)O)N1 AC-10288 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.49 CN1CCCC(=O)CC1 AC-56154 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.49 CN1CCNC(=O)CC1 AC-58165 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.66 CC1(C)CC(=O)CCN1 AC-71729 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.66 CC1(C)CC(=O)CCO1 AC-40742 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.66 CC1(C)CC(O)CCO1 AC-72325 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.66 CC1(C)CCCC(=O)C1 AC-68550 [0,0,0,1,0,0|1,0,0]=2 38 B9R1.66 CC1(O)CCOC(=O)C1 AC-32060 [0,0,0,1,0,0|3,0,0]=4 39 B7R0.6 CC(=O)NCC(=O)O AC-22388 [0,0,0,0,1,0|2,0,1]=4 40 B7R0.6 CC(C)NCC(=O)O AC-84846 [0,0,0,0,1,0|1,0,0]=2 41 B6R0.4 CC(=O)CCCBr AC-77239 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.4 CC(=O)CCCCl AC-35279 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.4 CCCCB(O)O AC-11281 [2,0,0,0,0,0|1,0,1]=4 44 B6R0.4 CN(C)CCCCl AC-23395 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.4 CNCCC(C)=O AC-83135 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.4 N#CCCC(=O)O AC-79263 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.4 NCCCC(=O)O AC-22540 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.4 O=C(O)CCCBr AC-34557 [2,0,0,0,0,0|1,0,0]=3 49 B8R0.6 CCCCNC(=O)CCl AC-57945 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.7 NCCCCCC(=O)O AC-22667 [1,1,0,0,0,0|0,0,0]=2 51 B8R0.7 NCCCCCC(=O)O AC-74011 [1,1,0,0,0,0|0,0,0]=2 52 B8R0.7 O=C(O)CCCCCBr AC-80223 [1,1,0,0,0,0|0,0,0]=2 53 B8R0.8 NCCC[C@H](N)C(=O)O AC-10594 [1,1,0,0,0,0|1,0,0]=3 54 B8R0.23 CC(C)CC(Br)C(=O)O AC-77294 [0,1,0,0,1,0|0,0,0]=2 55 B8R0.23 CC(C)CC(N)C(=O)O AC-10289 [0,1,0,0,1,0|0,0,0]=2 56 B8R0.23 CC(C)CC(O)C(=O)O AC-83999 [0,1,0,0,1,0|0,0,0]=2 57 B8R0.23 CC(C)C[C@@H](N)C(=O)O AC-16501 [0,1,0,0,1,0|0,0,0]=2 58 B8R0.23 CC(C)[C@@H](N)CC(=O)O AC-81175 [0,1,0,0,1,0|0,0,0]=2 59 B8R0.29 CC(C)(C)NCC(=O)O AC-63194 [0,1,0,0,1,0|1,0,0]=3 60 B8R0.29 CC(C)(N)CNC(N)=O AC-83164 [0,1,0,0,1,0|2,0,0]=4 61 B10R0.44 COC(=O)CC(C)CC(=O)O AC-77212 [0,2,0,0,0,0|1,0,1]=4 62 B10R0.82 COC(=O)CC[C@H](N)C(=O)O AC-10297 [0,2,0,0,0,0|1,0,1]=4 63 B10R0.70 CC(C)CC(CN)CC(=O)O AC-32436 [0,2,0,0,0,0|0,0,0]=2 64 B8R1.1 CCN1CCC(=O)C1 AC-96216 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.1 O=C1CC[C@@H](CO)N1 AC-45768 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.1 O=C1CC[C@H](CBr)N1 AC-25275 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.1 O=C1CC[C@H](CO)N1 AC-45740 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.4 CC1CC(=O)CCO1 AC-40753 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.4 CC1CC(O)CCN1 AC-91898 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.4 CC1CCOC(=O)C1 AC-96315 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.4 CC1CNCC(=O)N1 AC-41442 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.4 CN1CCCC(=O)C1 AC-84159 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.4 CN1CCOC(=O)C1 AC-91581 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.4 NC1CCCC(O)C1 AC-32513 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.4 NC1CCCC(O)C1 AC-72120 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.4 NC1CCNC(=O)C1 AC-24692 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.4 NC1CCNC(=O)C1 AC-80838 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 AC-81874 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.4 O=C1CC(O)CCN1 AC-65410 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.4 O=C1CCCC(=O)O1 AC-61739 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.6 CN1CC(CCO)C1 AC-96500 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.7 NC(=O)C1CCCN1 AC-56570 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.7 NC(=O)C1CCCO1 AC-81426 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.7 NC(=O)C1CCNC1 AC-91916 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.7 NC(=O)[C@@H]1CCCN1 AC-11445 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.7 O=C(O)C1CCCC1 AC-27255 [1,0,0,1,0,0|0,0,0]=2 87 B8R1.7 O=C(O)C1CCCN1 AC-19172 [1,0,0,1,0,0|1,0,0]=3 88 B8R1.7 O=C(O)C1CCOC1 AC-44952 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.7 O=C(O)C1NCCS1 AC-62961 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.7 O=C(O)[C@@H]1CCOC1 AC-63073 [1,0,0,1,0,0|1,0,0]=3 91 B8R1.7 O=C(O)[C@H]1CCCN1 AC-10596 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.7 O=C(O)[C@H]1CCCO1 AC-10530 [1,0,0,1,0,0|1,0,0]=3 93 B8R1.7 O=C(O)[C@H]1CCNC1 AC-20499 [1,0,0,1,0,0|1,0,0]=3 94 B8R1.7 O=C(O)[C@H]1CCNC1 AC-63692 [1,0,0,1,0,0|1,0,0]=3 95 B8R1.7 O=C(O)[C@H]1CCOC1 AC-85377 [1,0,0,1,0,0|1,0,0]=3 96 B8R1.7 OB(O)C1CCCC1 AC-17942 [1,0,0,1,0,0|1,0,1]=4 97 B8R1.19 CC1(C)CCCC1=O AC-92916 [1,0,0,1,0,0|0,0,0]=2 98 B8R1.19 CC1(C)CCNC1=O AC-76535 [1,0,0,1,0,0|1,0,0]=3 99 B8R1.22 O=C1CCCCNC1 AC-81448 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.34 O=C(O)CC1CCC1 AC-45159 [1,0,0,1,0,0|0,0,0]=2 101 B8R1.34 O=C(O)CC1CNC1 AC-90589 [1,0,0,1,0,0|1,0,0]=3 102 B8R1.34 O=C(O)CN1CCC1 AC-94294 [1,0,0,1,0,0|1,0,0]=3 103 B8R1.35 O=C(O)CCC1CC1 AC-45156 [1,0,0,1,0,0|0,0,0]=2 104 B8R1.35 O=C(O)CNC1CC1 AC-94098 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.72 CC1(O)CCCCC1 AC-82882 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.3 CN1CCC(=O)CC1 AC-40555 [0,0,0,1,1,0|2,0,0]=4 107 B8R1.3 O=C1CCC(O)CC1 AC-37934 [0,0,0,1,1,0|2,0,0]=4 108 B8R1.23 CC1CC(C(=O)O)C1 AC-41624 [0,0,0,1,1,0|0,0,0]=2 109 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 AC-79281 [0,0,0,1,1,0|1,0,0]=3 110 B8R1.23 O=C(O)C1CC(Cl)C1 AC-88521 [0,0,0,1,1,0|1,0,0]=3 111 B8R1.23 O=C(O)C1CC(F)C1 AC-29373 [0,0,0,1,1,0|1,0,0]=3 112 B8R1.23 O=C(O)C1CC(O)C1 AC-37931 [0,0,0,1,1,0|1,0,0]=3 113 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 AC-41630 [0,0,0,1,1,0|1,0,0]=3 114 B8R1.51 CC1(C)CCC(=O)N1 AC-44987 [0,0,0,1,1,0|1,0,0]=3 115 B8R1.51 CC1(C)CCC(=O)O1 AC-83139 [0,0,0,1,1,0|0,0,0]=2 116 B8R1.77 CC1(C)CC1C(=O)O AC-93733 [0,0,0,1,1,0|0,0,0]=2 117 B8R1.77 CC1(C)C[C@@H]1C(=O)O AC-77496 [0,0,0,1,1,0|0,0,0]=2 118 B10R1.54 NC1CCN(CC(=O)O)C1 AC-91509 [0,0,0,1,0,1|1,0,0]=3 119 B10R1.54 O=C(O)CN1CCC(O)C1 AC-86503 [0,0,0,1,0,1|1,0,0]=3 120 B10R1.113 CC(C)C1CC(=O)CCN1 AC-89507 [0,0,0,1,0,1|1,0,0]=3 121 B10R1.113 CN1CCC=C(C(=O)O)C1 AC-81187 [0,0,0,1,0,1|1,0,1]=4 122 B10R1.113 CN1CCCC(C(=O)O)C1 AC-44887 [0,0,0,1,0,1|1,0,0]=3 123 B10R1.113 CN1CCOC(C(=O)O)C1 AC-44885 [0,0,0,1,0,1|1,0,0]=3 124 B10R1.113 NC1CCCC(C(=O)O)C1 AC-24444 [0,0,0,1,0,1|1,0,0]=3 125 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 AC-81150 [0,0,0,1,0,1|1,0,0]=3 126 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 AC-80481 [0,0,0,1,0,1|1,0,0]=3 127 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 AC-35029 [0,0,0,1,0,1|1,0,0]=3 128 B10R1.113 O=C1CCNC(C(=O)O)C1 AC-90635 [0,0,0,1,0,1|1,0,1]=4 129 B10R1.113 O=C1CCNC(C(=O)O)C1 AC-93850 [0,0,0,1,0,1|1,0,1]=4 130 B10R1.128 CC1(C)CNCC1C(=O)O AC-79869 [0,0,0,1,0,1|0,0,0]=2 131 B10R1.13 CC(C)C1CCC(O)CC1 AC-88467 [0,1,0,1,0,0|1,0,1]=4 132 B10R1.13 CC(C)N1CCC(=O)CC1 AC-23817 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.13 CC1CCC(C(=O)O)CN1 AC-92143 [0,1,0,1,0,0|0,0,0]=2 134 B10R1.13 CN1CCC(C(=O)O)CC1 AC-31520 [0,1,0,1,0,0|1,0,0]=3 135 B10R1.13 CN1CCC(C(=O)O)CC1 AC-59871 [0,1,0,1,0,0|1,0,0]=3 136 B10R1.13 CN1CCC(C(N)=O)CC1 AC-40548 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.13 NC1CCC(C(=O)O)CC1 AC-83075 [0,1,0,1,0,0|1,0,0]=3 138 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 AC-22593 [0,1,0,1,0,0|1,0,0]=3 139 B10R1.13 O=C1CCC(C(=O)O)CN1 AC-45451 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.13 O=C1CCC(C(=O)O)NC1 AC-40587 [0,1,0,1,0,0|1,0,1]=4 141 B10R1.14 COC(=O)C1CCC(N)C1 AC-73697 [0,1,0,1,0,0|1,0,0]=3 142 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 AC-86895 [0,1,0,1,0,0|1,0,0]=3 143 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 AC-45812 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 AC-45671 [0,1,0,1,0,0|2,0,0]=4 145 B10R1.31 CCN1CCC(C(=O)O)C1 AC-75909 [0,1,0,1,0,0|1,0,0]=3 146 B10R1.150 COC(=O)CC1CC(=O)C1 AC-81096 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.194 CN1CCC(C(=O)O)C1=O AC-75969 [0,1,0,1,0,0|1,0,1]=4 148 B10R1.120 CC1(C)CC(=O)CCC1O AC-82819 [0,1,0,1,0,0|1,0,0]=3 149 B10R1.205 CC(OCC1CC1)C(=O)O AC-76101 [0,1,0,1,0,0|1,0,0]=3 150 B10R1.359 CC1(C)NC(C(=O)O)CS1 AC-87477 [0,1,0,1,0,0|1,0,0]=3 151 B10R1.359 O=C(O)C1CC(F)(F)CN1 AC-88084 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 AC-81514 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.359 O=C(O)[C@H]1CC(F)(F)CN1 AC-83917 [0,1,0,1,0,0|2,0,0]=4 154 B10R1.470 CN1CCC(C)(C(=O)O)C1 AC-75823 [0,1,0,1,0,0|1,0,0]=3 155 B10R1.329 CC1(C)CC(=O)CC(=O)C1 AC-16744 [0,1,0,1,0,0|1,0,1]=4 156 B10R1.329 CC1(C)CC(=O)CC(=O)N1 AC-84225 [0,1,0,1,0,0|1,0,1]=4 157 B10R1.329 CC1CC(O)CC(C)(C)C1 AC-62468 [0,1,0,1,0,0|1,0,1]=4 158 B10R2.357 [C@@H]12C[C@@H](C(N)=O)N[C@@H]1C2 AC-73828 [0,0,0,2,0,0|2,0,0]=4 159 B6R0.2 CC(C)CB(O)O AC-46050 [0,0,0,0,2,0|1,0,1]=4 160 B6R0.2 C[C@@H](O)CC(=O)O AC-81110 [0,0,0,0,2,0|1,0,0]=3 161 B6R0.2 C[C@@H](O)CC(=O)[O-] AC-77270 [0,0,0,0,2,0|1,0,1]=4 162 B6R0.2 C[C@H](N)CC(=O)O AC-77208 [0,0,0,0,2,0|1,0,0]=3