0 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CN1CCC(C(=O)O)C1 SC-38317 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.35 NC1COC(C(=O)O)C1 SC-97560 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-48064 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 SC-95196 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.35 O=C(O)C1CC(O)CN1 SC-03594 [0,0,0,0,0,0|0,0,0]=0 13 B9R1.35 O=C(O)C1CC(O)CN1 SC-09592 [0,0,0,0,0,0|0,0,0]=0 14 B9R1.35 O=C(O)C1CC(O)CN1 SC-09594 [0,0,0,0,0,0|0,0,0]=0 15 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SC-89720 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SC-09595 [0,0,0,0,0,0|0,0,0]=0 18 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-48740 [0,0,0,0,0,0|0,0,0]=0 19 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,0,0,0,0,0|1,0,2]=3 20 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [0,0,0,0,0,0|2,0,2]=4 23 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-52091 [0,0,0,0,0,0|0,0,2]=2 24 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 SC-51331 [0,0,0,0,0,0|2,0,2]=4 25 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [0,0,0,0,0,0|2,0,2]=4 26 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [0,0,0,0,0,0|2,0,2]=4 27 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.1 OC[C@@H]1C[C@H](O)CO1 SC-83414 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.7 CC(=O)C1CCCC1 SC-69830 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.7 CC(C)[C@@H]1CCCN1 SC-A3785 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.7 NC(=O)C1CCCN1 SC-24789 [1,0,0,0,0,0|1,0,0]=2 32 B8R1.7 NC(=O)C1CCNC1 SC-A3191 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.7 NC(=O)[C@@H]1CCCN1 SC-06632 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.7 O=C(Cl)C1CCCC1 SC-45320 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.7 O=C(Cl)N1CCCC1 SC-72914 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.7 O=C(O)C1=CCCC1 SC-65352 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.7 O=C(O)C1CC=CC1 SC-25940 [1,0,0,0,0,0|1,0,2]=4 38 B8R1.7 O=C(O)C1CCCC1 SC-18675 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.7 O=C(O)C1CCCN1 SC-09807 [1,0,0,0,0,0|0,0,0]=1 40 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.7 O=C(O)C1CCOC1 SC-21248 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [1,0,0,0,0,0|0,0,0]=1 43 B8R1.7 O=C(O)[C@@H]1CCNC1 SC-48463 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.7 O=C(O)[C@@H]1CCOC1 SC-25192 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.7 O=C(O)[C@@H]1CSCN1 SC-77532 [1,0,0,0,0,0|1,0,0]=2 46 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [1,0,0,0,0,0|0,0,0]=1 47 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.7 O=C(O)[C@H]1CCNC1 SC-25206 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.7 OB(O)C1CCCC1 SC-58324 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.7 [C@H]1(C(=O)O)CCNC1 SC-48462 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.7 [C@H]1(C(N)=O)CCCN1 SC-13550 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.14 COC(=O)C1CC(=O)CO1 SC-21290 [0,1,0,0,0,0|1,0,2]=4 53 B10R1.14 COC(=O)C1CC(O)CN1 SC-16714 [0,1,0,0,0,0|0,0,0]=1 54 B10R1.14 COC(=O)C1CCC(=O)C1 SC-32839 [0,1,0,0,0,0|1,0,2]=4 55 B10R1.14 COC(=O)C1CCC(O)C1 SC-A2862 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.14 COC(=O)C1CCC(O)C1 SC-A3344 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 SC-97420 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 SC-23929 [0,1,0,0,0,0|0,0,0]=1 59 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 SC-98936 [0,1,0,0,0,0|0,0,0]=1 60 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 SC-82671 [0,1,0,0,0,0|0,0,0]=1 61 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 SC-84077 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 SC-28158 [0,1,0,0,0,0|0,0,0]=1 63 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 SC-82865 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.359 O=C(O)C1CCC(F)(F)C1 SC-25380 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 SC-B8320 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.8 CCCCC(N)C(=O)O SC-10365 [0,0,1,0,0,0|3,0,0]=4 67 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [0,0,1,0,0,0|3,0,0]=4 68 B8R0.8 NCCCC(N)C(=O)O SC-10385 [0,0,1,0,0,0|3,0,0]=4 69 B8R0.8 NCCCC(N)C(=O)O SC-48991 [0,0,1,0,0,0|3,0,0]=4 70 B8R0.8 NCCC[C@H](N)C(=O)O SC-18299 [0,0,1,0,0,0|3,0,0]=4 71 B8R0.9 C=CC(N)CCC(=O)O SC-82297 [0,0,1,0,0,0|2,0,1]=4 72 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,0,1,0,0,0|1,0,2]=4 73 B8R0.9 NCC(=O)CCC(=O)O SC-15622 [0,0,1,0,0,0|0,0,2]=3 74 B8R0.9 NCC(=O)CCC(=O)O SC-18502 [0,0,1,0,0,0|0,0,2]=3 75 B8R0.15 CCCC(CC)C(=O)O SC-82317 [0,0,1,0,0,0|2,0,0]=3 76 B8R0.23 C=C(Br)C[C@H](N)C(=O)O SC-A2609 [0,0,1,0,0,0|1,0,2]=4 77 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,0,1,0,0,0|2,0,0]=3 78 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,0,1,0,0,0|1,0,0]=2 79 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,0,1,0,0,0|1,0,0]=2 80 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,0,1,0,0,0|1,0,0]=2 81 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,0,1,0,0,0|2,0,0]=3 82 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,0,1,0,0,0|2,0,0]=3 83 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,0,1,0,0,0|2,0,1]=4 84 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,0,1,0,0,0|2,0,1]=4 85 B8R0.23 C[C@H](CC(=O)O)C(=O)O SC-08885 [0,0,1,0,0,0|2,0,1]=4 86 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,0,1,0,0,0|1,0,2]=4 87 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09348 [0,0,1,0,0,0|1,0,2]=4 88 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09349 [0,0,1,0,0,0|1,0,2]=4 89 B8R0.23 N[C@H](CC(=O)O)C(=O)O SC-01867 [0,0,1,0,0,0|1,0,1]=3 90 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,0,1,0,0,0|2,0,1]=4 91 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,0,1,0,0,0|2,0,1]=4 92 B8R0.28 O=C(O)CNCC(=O)O SC-79871 [0,0,1,0,0,0|1,0,1]=3 93 B8R0.28 O=C(O)COCC(=O)O SC-93218 [0,0,1,0,0,0|2,0,1]=4 94 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 SC-94863 [0,0,0,1,0,0|1,0,0]=2 95 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 SC-86927 [0,0,0,1,0,0|2,0,0]=3 96 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 SC-A2404 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.23 C=C1CC(C(=O)O)C1 SC-20999 [0,0,0,0,1,0|1,0,1]=3 98 B8R1.23 CC(=O)N1CC(N)C1 SC-51444 [0,0,0,0,1,0|3,0,0]=4 99 B8R1.23 CC(=O)N1CC(N)C1 SC-A3072 [0,0,0,0,1,0|3,0,0]=4 100 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,0,0,0,1,0|1,0,0]=2 101 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [0,0,0,0,1,0|2,0,0]=3 102 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [0,0,0,0,1,0|1,0,0]=2 103 B8R1.23 O=C1CC(C(=O)O)C1 SC-14962 [0,0,0,0,1,0|0,0,2]=3 104 B10R1.13 CC(=O)N1CCC(O)CC1 SC-15455 [0,0,0,0,0,1|3,0,0]=4 105 B10R1.13 CN1CCC(C(=O)O)CC1 SC-77778 [0,0,0,0,0,1|3,0,0]=4 106 B10R1.13 NC(=O)[C@H]1CC[C@H](O)CC1 SC-90108 [0,0,0,0,0,1|2,0,0]=3 107 B10R1.13 NC1CCC(C(=O)O)CC1 SC-46143 [0,0,0,0,0,1|2,0,0]=3 108 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SC-43852 [0,0,0,0,0,1|2,0,0]=3 109 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SC-47469 [0,0,0,0,0,1|2,0,0]=3 110 B10R1.13 O=C(O)C1CCC(O)CC1 SC-47408 [0,0,0,0,0,1|1,0,0]=2 111 B10R1.13 O=C(O)C1CCC(O)CC1 SC-84382 [0,0,0,0,0,1|1,0,0]=2 112 B10R1.13 O=C([O-])[C@H]1CC[C@@H](O)CC1 SC-97857 [0,0,0,0,0,1|1,0,1]=3 113 B10R1.13 O=C1CCC(C(=O)O)CN1 SC-91365 [0,0,0,0,0,1|1,0,2]=4 114 B10R1.54 O=C(O)CC1CCC(=O)C1 SC-32553 [0,0,0,0,0,1|1,0,2]=4 115 B10R1.113 CC(=O)N1CCC[C@H](O)C1 SC-88350 [0,0,0,0,0,1|3,0,0]=4 116 B10R1.113 CN1CCCC(C(=O)O)C1 SC-53949 [0,0,0,0,0,1|3,0,0]=4 117 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)[O-])C1 SC-15310 [0,0,0,0,0,1|1,0,1]=3 118 B10R1.113 NC1CCCC(C(=O)O)C1 SC-15059 [0,0,0,0,0,1|2,0,0]=3 119 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SC-48763 [0,0,0,0,0,1|2,0,0]=3 120 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SC-48783 [0,0,0,0,0,1|2,0,0]=3 121 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 SC-68749 [0,0,0,0,0,1|2,0,0]=3 122 B10R1.113 O=C1CC(C(=O)O)CCN1 SC-95916 [0,0,0,0,0,1|1,0,2]=4 123 B10R1.113 O=C1CCCC(C(=O)O)C1 SC-47920 [0,0,0,0,0,1|1,0,2]=4 124 B7R0.4 C#CCCCC(=O)O SC-73017 [1,0,1,0,0,0|1,0,1]=4 125 B7R0.4 C#CCNCC(=O)O SC-10418 [1,0,1,0,0,0|0,0,2]=4 126 B7R0.4 C#CCNCC(=O)O SC-10419 [1,0,1,0,0,0|0,0,2]=4 127 B7R0.4 C#CCNCC(=O)O SC-65650 [1,0,1,0,0,0|0,0,2]=4 128 B7R0.4 C=CCNCC(=O)O SC-74362 [1,0,1,0,0,0|0,0,2]=4 129 B7R0.4 CCCC#CC(=O)O SC-96568 [1,0,1,0,0,0|1,0,1]=4 130 B7R0.4 CCCNCC(=O)O SC-97541 [1,0,1,0,0,0|0,0,0]=2 131 B7R0.4 CCCSCC(=O)O SC-45283 [1,0,1,0,0,0|1,0,0]=3 132 B7R0.4 CNCCCC(=O)O SC-49793 [1,0,1,0,0,0|2,0,0]=4 133 B7R0.4 CNCCCC(=O)O SC-A2900 [1,0,1,0,0,0|2,0,0]=4 134 B7R0.4 COCCCC(=O)O SC-51378 [1,0,1,0,0,0|2,0,0]=4 135 B7R0.4 NC(=O)CCCCBr SC-98143 [1,0,1,0,0,0|2,0,0]=4 136 B7R0.4 NCCCCC(=O)O SC-10120 [1,0,1,0,0,0|0,0,0]=2 137 B7R0.4 NCCCCC(=O)O SC-92391 [1,0,1,0,0,0|0,0,0]=2 138 B7R0.4 NCCCCC(N)=O SC-94858 [1,0,1,0,0,0|1,0,0]=3 139 B7R0.4 NCCCCC(N)=O SC-A4262 [1,0,1,0,0,0|1,0,0]=3 140 B7R0.4 NCCNCC(=O)O SC-21750 [1,0,1,0,0,0|1,0,0]=3 141 B7R0.4 O=C(Cl)CCCCBr SC-13447 [1,0,1,0,0,0|2,0,0]=4 142 B7R0.4 O=C(Cl)CCCCCl SC-16009 [1,0,1,0,0,0|2,0,0]=4 143 B7R0.4 O=C(O)CCCCBr SC-02338 [1,0,1,0,0,0|1,0,0]=3 144 B7R0.4 O=C([O-])COCCO SC-A2671 [1,0,1,0,0,0|1,0,1]=4 145 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [1,0,1,0,0,0|0,0,2]=4 146 B7R0.5 C=CCC(N)C(=O)O SC-10030 [1,0,1,0,0,0|0,0,2]=4 147 B7R0.5 C=CCC(N)C(=O)O SC-10031 [1,0,1,0,0,0|0,0,2]=4 148 B7R0.5 C=CCC(N)C(=O)O SC-10032 [1,0,1,0,0,0|0,0,2]=4 149 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [1,0,1,0,0,0|0,0,2]=4 150 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [1,0,1,0,0,0|0,0,2]=4 151 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,0,1,0,0,0|1,0,0]=3 152 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,0,1,0,0,0|0,0,0]=2 153 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [1,0,1,0,0,0|1,0,0]=3 154 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [1,0,1,0,0,0|1,0,0]=3 155 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [1,0,1,0,0,0|1,0,0]=3 156 B7R0.5 NC(CCO)C(=O)O SC-10290 [1,0,1,0,0,0|0,0,0]=2 157 B7R0.5 NCCC(N)C(=O)O SC-10146 [1,0,1,0,0,0|1,0,0]=3 158 B7R0.5 NCCC(N)C(=O)O SC-20723 [1,0,1,0,0,0|1,0,0]=3 159 B7R0.5 NCCC(N)C(=O)O SC-23452 [1,0,1,0,0,0|1,0,0]=3 160 B7R0.5 NCCC(N)C(=O)O SC-25055 [1,0,1,0,0,0|1,0,0]=3 161 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [1,0,1,0,0,0|1,0,0]=3 162 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [1,0,1,0,0,0|0,0,0]=2 163 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [1,0,1,0,0,0|0,0,0]=2 164 B7R0.6 CC(C)CCC(=O)O SC-57917 [1,0,1,0,0,0|1,0,0]=3 165 B7R0.6 CC(C)OCC(=O)O SC-88240 [1,0,1,0,0,0|2,0,0]=4 166 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [1,0,1,0,0,0|2,0,0]=4 167 B7R0.6 CC(O)CCC(C)O SC-92842 [1,0,1,0,0,0|1,0,1]=4 168 B7R0.6 CN(C)CCC(=O)O SC-84721 [1,0,1,0,0,0|2,0,0]=4 169 B7R0.6 CN(C)CCC(=O)O SC-98010 [1,0,1,0,0,0|2,0,0]=4 170 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [1,0,1,0,0,0|1,0,0]=3 171 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [1,0,1,0,0,0|1,0,1]=4 172 B7R0.6 O=C(O)CCC(=O)O SC-47173 [1,0,1,0,0,0|1,0,1]=4 173 B7R0.15 CNC(CO)C(=O)O SC-26706 [1,0,1,0,0,0|0,0,0]=2 174 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [1,0,1,0,0,0|0,0,0]=2 175 B7R0.2 CC(C)C[C@@H](N)CO SC-15764 [1,0,1,0,0,0|1,0,1]=4 176 B7R0.2 CC(C)C[C@H](N)CO SC-08985 [1,0,1,0,0,0|1,0,1]=4 177 B7R1.1 CCC1CCCN1 SC-29181 [2,0,0,0,0,0|1,0,1]=4 178 B7R1.1 N#CC1CCCN1 SC-70822 [2,0,0,0,0,0|1,0,1]=4 179 B7R1.1 N#C[C@H]1CCCN1 SC-72638 [2,0,0,0,0,0|1,0,1]=4 180 B7R1.1 NCC1CCCN1 SC-98158 [2,0,0,0,0,0|1,0,1]=4 181 B7R1.1 O=CC1CCCC1 SC-21778 [2,0,0,0,0,0|1,0,0]=3 182 B7R1.1 O=CC1CCCC1 SC-44728 [2,0,0,0,0,0|1,0,0]=3 183 B7R1.1 O=CC1CCNC1 SC-85271 [2,0,0,0,0,0|2,0,0]=4 184 B7R1.1 OCC1CCCC1 SC-03842 [2,0,0,0,0,0|1,0,1]=4 185 B7R1.1 OCC1CCCN1 SC-12006 [2,0,0,0,0,0|0,0,1]=3 186 B7R1.1 OCC1CCCO1 SC-94849 [2,0,0,0,0,0|1,0,1]=4 187 B7R1.1 OC[C@@H]1CCCN1 SC-02696 [2,0,0,0,0,0|0,0,1]=3 188 B7R1.1 OC[C@@H]1CCCN1 SC-48321 [2,0,0,0,0,0|0,0,1]=3 189 B7R1.1 OC[C@@H]1CCCO1 SC-20330 [2,0,0,0,0,0|1,0,1]=4 190 B7R1.1 OC[C@H]1CCCN1 SC-06270 [2,0,0,0,0,0|0,0,1]=3 191 B7R1.2 CC1CNC(=O)C1 SC-50248 [2,0,0,0,0,0|1,0,1]=4 192 B7R1.2 NC1CCC(O)C1 SC-47773 [2,0,0,0,0,0|2,0,0]=4 193 B7R1.2 NC1CCC(O)C1 SC-47979 [2,0,0,0,0,0|2,0,0]=4 194 B7R1.2 NC1CCC(O)C1 SC-49660 [2,0,0,0,0,0|2,0,0]=4 195 B7R1.2 NC1CCC(O)C1 SC-51126 [2,0,0,0,0,0|2,0,0]=4 196 B7R1.2 NC1CCC(O)C1 SC-92977 [2,0,0,0,0,0|2,0,0]=4 197 B7R1.2 NC1CNC(=O)C1 SC-66063 [2,0,0,0,0,0|1,0,1]=4 198 B7R1.2 N[C@@H]1CC[C@H](O)C1 SC-83316 [2,0,0,0,0,0|2,0,0]=4 199 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [2,0,0,0,0,0|1,0,1]=4 200 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-42369 [2,0,0,0,0,0|2,0,0]=4 201 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-47775 [2,0,0,0,0,0|2,0,0]=4 202 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-47774 [2,0,0,0,0,0|2,0,0]=4 203 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-93243 [2,0,0,0,0,0|2,0,0]=4 204 B7R1.2 O=C1CC(O)CN1 SC-29049 [2,0,0,0,0,0|0,0,1]=3 205 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [2,0,0,0,0,0|0,0,1]=3 206 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [2,0,0,0,0,0|0,0,1]=3 207 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [2,0,0,0,0,0|1,0,1]=4 208 B9R0.24 COC(=O)CCC(=O)CN SC-01776 [0,1,1,0,0,0|0,0,2]=4 209 B9R0.15 CCCC(CCC)C(=O)O SC-23854 [0,1,1,0,0,0|2,0,0]=4 210 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-82208 [0,1,1,0,0,0|1,0,0]=3 211 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-20148 [0,1,1,0,0,0|1,0,0]=3 212 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-70362 [0,1,1,0,0,0|1,0,0]=3 213 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SC-52818 [0,1,1,0,0,0|1,0,0]=3 214 B9R0.57 [C@H](N)(CS(=O)(=O)O)C(=O)O SC-09435 [0,1,1,0,0,0|2,0,0]=4 215 B9R0.79 CC(C)C(O)C(N)C(=O)O SC-48909 [0,1,1,0,0,0|1,0,0]=3 216 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O SC-A0972 [0,1,1,0,0,0|0,0,0]=2 217 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O SC-10302 [0,1,1,0,0,0|1,0,1]=4 218 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,1,1,0,0,0|2,0,0]=4 219 B9R0.53 CN(CC(=O)O)CC(=O)O SC-04506 [0,1,1,0,0,0|1,0,1]=4 220 B9R1.22 CN1C[C@H](O)C[C@H]1CO SC-23737 [1,1,0,0,0,0|0,0,1]=3 221 B9R1.11 COC(=O)C1=CCCC1 SC-47854 [1,1,0,0,0,0|1,0,1]=4 222 B9R1.11 COC(=O)C1CCCC1 SC-58226 [1,1,0,0,0,0|1,0,0]=3 223 B9R1.11 COC(=O)C1CCCN1 SC-01646 [1,1,0,0,0,0|0,0,0]=2 224 B9R1.11 COC(=O)C1CCCN1 SC-12256 [1,1,0,0,0,0|0,0,0]=2 225 B9R1.11 COC(=O)C1CCOC1 SC-99459 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.11 COC(=O)[C@@H]1CCCN1 SC-17303 [1,1,0,0,0,0|0,0,0]=2 227 B9R1.11 COC(=O)[C@@H]1CCNC1 SC-70520 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.11 COC(=O)[C@H]1CCCN1 SC-09823 [1,1,0,0,0,0|0,0,0]=2 229 B9R1.11 COC(=O)[C@H]1CCCN1 SC-50892 [1,1,0,0,0,0|0,0,0]=2 230 B9R1.11 O=C(CBr)C1CCCC1 SC-14732 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.41 CN1CCC[C@H]1C(=O)O SC-21471 [1,1,0,0,0,0|0,0,0]=2 232 B9R1.41 NC1CCCC1C(=O)O SC-A3650 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.163 CC1(C(=O)O)CCCC1 SC-26150 [1,1,0,0,0,0|1,0,0]=3 234 B9R1.163 C[C@]1(C(=O)O)CCCN1 SC-87593 [1,1,0,0,0,0|0,0,0]=2 235 B9R1.163 C[C@]1(C(=O)O)CCNC1 SC-A3614 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.163 NC1(C(=O)O)CCCC1 SC-11054 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.163 NC1(C(=O)O)CCOC1 SC-35949 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.163 O=C(O)C1(O)CCCC1 SC-A3517 [1,1,0,0,0,0|1,0,0]=3 239 B9R1.82 C=C1CC(C(=O)OC)C1 SC-48884 [0,1,0,0,1,0|1,0,1]=4 240 B9R1.82 COC(=O)C1CC(=O)C1 SC-21555 [0,1,0,0,1,0|0,0,2]=4 241 B9R1.82 COC(=O)C1CC(Cl)C1 SC-B8557 [0,1,0,0,1,0|1,0,0]=3 242 B9R1.82 COC(=O)C1CC(O)C1 SC-53013 [0,1,0,0,1,0|0,0,0]=2 243 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SC-99994 [0,1,0,0,1,0|0,0,0]=2 244 B9R1.95 COC1CC(C(=O)O)C1 SC-21516 [0,1,0,0,1,0|0,0,0]=2 245 B9R1.164 O=C(O)C1CC(F)(F)C1 SC-14449 [0,1,0,0,1,0|1,0,0]=3 246 B11R1.3 CO[C@H]1CC[C@H](C(=O)O)CC1 SC-68770 [0,1,0,0,0,1|1,0,0]=3 247 B11R1.3 N#CC1CCC(C(=O)O)CC1 SC-90112 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 SC-19036 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.22 COC(=O)C1CCC(N)CC1 SC-36281 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.22 COC(=O)C1CCC(O)CC1 SC-26196 [0,1,0,0,0,1|1,0,0]=3 251 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 SC-65244 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 SC-66137 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 SC-93954 [0,1,0,0,0,1|1,0,0]=3 254 B11R1.727 O=C(O)C1CCC(F)(F)CC1 SC-19912 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.645 O=C(O)CN1CC(O)CC1=O SC-72065 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.23 COC(=O)C1CN(C)CCN1 SC-28943 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.23 COC(=O)C1CNCC(C)C1 SC-99538 [0,1,0,0,0,1|1,0,0]=3 258 B11R1.15 CCOC(=O)C1CC(O)CN1 SC-09605 [0,2,0,0,0,0|0,0,0]=2 259 B11R1.15 CCOC(=O)C1CCC(O)C1 SC-51294 [0,2,0,0,0,0|1,0,0]=3 260 B11R1.225 COC(=O)[C@@H]1C[C@@H](O)CN1C SC-82984 [0,2,0,0,0,0|0,0,0]=2 261 B11R1.226 COC(=O)C1CC(N)C(=O)N1 SC-48396 [0,2,0,0,0,0|1,0,1]=4 262 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 SC-04127 [0,2,0,0,0,0|1,0,0]=3 263 B9R1.6 O=C(O)C1CCCCC1 SC-22688 [0,0,1,1,0,0|2,0,0]=4 264 B9R1.6 O=C(O)C1CCCCN1 SC-03317 [0,0,1,1,0,0|1,0,0]=3 265 B9R1.6 O=C(O)C1CCCCN1 SC-04307 [0,0,1,1,0,0|1,0,0]=3 266 B9R1.6 O=C(O)C1CCCCN1 SC-05144 [0,0,1,1,0,0|1,0,0]=3 267 B9R1.6 O=C(O)C1CCCCO1 SC-27357 [0,0,1,1,0,0|2,0,0]=4 268 B9R1.6 O=C(O)C1CCCOC1 SC-49188 [0,0,1,1,0,0|1,0,0]=3 269 B9R1.6 O=C(O)C1CNCCN1 SC-21327 [0,0,1,1,0,0|1,0,0]=3 270 B9R1.6 O=C(O)C1CNCCO1 SC-27398 [0,0,1,1,0,0|2,0,0]=4 271 B9R1.6 O=C(O)C1CNCCS1 SC-A2935 [0,0,1,1,0,0|2,0,0]=4 272 B9R1.6 O=C(O)C1COCCN1 SC-22999 [0,0,1,1,0,0|0,0,0]=2 273 B9R1.6 O=C(O)C1COCCN1 SC-25354 [0,0,1,1,0,0|0,0,0]=2 274 B9R1.6 O=C(O)C1COCCN1 SC-27629 [0,0,1,1,0,0|0,0,0]=2 275 B9R1.6 O=C(O)C1CSCCN1 SC-47973 [0,0,1,1,0,0|0,1,0]=3 276 B9R1.6 O=C(O)[C@@H]1CNCCN1 SC-08890 [0,0,1,1,0,0|1,0,0]=3 277 B9R1.6 O=C(O)[C@@H]1CNCCN1 SC-12480 [0,0,1,1,0,0|1,0,0]=3 278 B9R1.6 O=C(O)[C@@H]1CSCCN1 SC-82353 [0,0,1,1,0,0|0,1,0]=3 279 B9R1.6 O=C(O)[C@H]1CCCCN1 SC-01680 [0,0,1,1,0,0|1,0,0]=3 280 B9R1.6 O=C(O)[C@H]1CNCCN1 SC-00676 [0,0,1,1,0,0|1,0,0]=3 281 B9R1.6 O=C(O)[C@H]1CNCCN1 SC-12519 [0,0,1,1,0,0|1,0,0]=3 282 B9R1.6 O=C(O)[C@H]1CSCCN1 SC-33694 [0,0,1,1,0,0|0,1,0]=3 283 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 SC-02884 [0,0,1,1,0,0|2,0,0]=4 284 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11116 [0,0,1,1,0,0|1,0,0]=3 285 B9R1.1 NCC1CCC(=O)NC1 SC-A2876 [0,0,1,1,0,0|2,0,0]=4 286 B9R1.84 O=C(O)CCC1CCC1 SC-30968 [0,0,1,1,0,0|2,0,0]=4 287 B9R2.39 O=C1CC2CCC1C2 SC-50094 [1,0,0,1,0,0|2,0,0]=4 288 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 SC-52249 [1,0,0,1,0,0|2,0,0]=4 289 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,0,1,0,1,0|2,0,0]=4 290 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,0,1,0,1,0|1,0,0]=3 291 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,0,1,0,1,0|1,0,0]=3 292 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,0,1,0,1,0|1,0,0]=3 293 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,0,1,0,1,0|2,0,0]=4 294 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,0,1,0,1,0|2,0,0]=4 295 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,0,1,0,1,0|2,0,0]=4 296 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,0,1,0,1,0|0,0,0]=2 297 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,0,1,0,1,0|0,0,0]=2 298 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,0,1,0,1,0|0,0,0]=2 299 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,0,1,0,1,0|0,0,0]=2 300 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,0,1,0,1,0|0,0,0]=2 301 B7R0.16 NC(C(=O)O)C(=O)O SC-10105 [0,0,1,0,1,0|1,0,1]=4 302 B7R1.10 COC1CC(O)C1 SC-A4338 [1,0,0,0,1,0|2,0,0]=4 303 B7R1.18 CC(=O)C1CCC1 SC-74316 [1,0,0,0,1,0|1,0,0]=3 304 B7R1.18 CC(O)C1CCC1 SC-22088 [1,0,0,0,1,0|1,0,1]=4 305 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [1,0,0,0,1,0|1,0,0]=3 306 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [1,0,0,0,1,0|1,0,0]=3 307 B7R1.18 O=C(O)C1CCC1 SC-17776 [1,0,0,0,1,0|0,0,0]=2 308 B7R1.18 O=C(O)C1CCO1 SC-22549 [1,0,0,0,1,0|1,0,0]=3 309 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [1,0,0,0,1,0|0,0,0]=2 310 B7R1.18 OB(O)C1CCC1 SC-21363 [1,0,0,0,1,0|1,0,1]=4 311 B7R1.12 O=C(O)C1CC1F SC-85228 [0,0,0,0,2,0|1,0,0]=3 312 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,0,0,0,2,0|1,0,0]=3 313 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,0,0,0,2,0|1,0,0]=3 314 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,0,0,0,2,0|1,0,0]=3 315 B9R1.13 O=C(O)CC1CCCN1 SC-49134 [1,0,0,0,0,1|0,0,0]=2 316 B9R1.13 O=C(O)CC1CCCN1 SC-70978 [1,0,0,0,0,1|0,0,0]=2 317 B9R1.13 O=C(O)CC1CCNC1 SC-53663 [1,0,0,0,0,1|2,0,0]=4 318 B9R1.13 O=C(O)CN1CCCC1 SC-69994 [1,0,0,0,0,1|2,0,0]=4 319 B9R1.13 O=C(O)C[C@@H]1CCCN1 SC-86132 [1,0,0,0,0,1|0,0,0]=2 320 B11R1.20 CC(=O)NC1CCC(O)CC1 SC-93564 [0,0,0,0,0,2|2,0,0]=4 321 B11R1.20 O=C(O)CC1CCC(O)CC1 SC-49645 [0,0,0,0,0,2|1,0,0]=3