0 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SC-53670 [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 NC(=O)[C@@H]1C[C@@H](O)CN1 SC-88090 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 NC1C=C(C(=O)O)CC1 SC-51450 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 NC1COC(C(=O)O)C1 SC-97560 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,0,0,0,0,0|2,0,0]=2 10 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 11 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 SC-24076 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 O=C(O)C1CC(O)CN1 SC-03594 [0,0,0,0,0,0|0,0,0]=0 15 B9R1.35 O=C(O)C1CC(O)CN1 SC-09594 [0,0,0,0,0,0|0,0,0]=0 16 B9R1.35 O=C(O)C1CC(O)CN1 SC-29014 [0,0,0,0,0,0|0,0,0]=0 17 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SC-89720 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SC-52573 [0,0,0,0,0,0|0,0,0]=0 19 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CO1 SC-66730 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 SC-48116 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-48740 [0,0,0,0,0,0|0,0,0]=0 22 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-52422 [0,0,0,0,0,0|0,0,0]=0 23 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,0,0,0,0,0|1,0,2]=3 24 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [0,0,0,0,0,0|2,0,2]=4 25 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [0,0,0,0,0,0|2,0,2]=4 26 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [0,0,0,0,0,0|2,0,2]=4 27 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-22199 [0,0,0,0,0,0|0,0,2]=2 28 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-52091 [0,0,0,0,0,0|0,0,2]=2 29 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 SC-51331 [0,0,0,0,0,0|2,0,2]=4 30 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [0,0,0,0,0,0|2,0,2]=4 31 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [0,0,0,0,0,0|2,0,2]=4 32 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [0,0,0,0,0,0|2,0,2]=4 33 B8R1.1 OC[C@@H]1C[C@H](O)CO1 SC-83414 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.7 CC(=O)C1CCCC1 SC-34558 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.7 CC(=O)C1CCCC1 SC-69830 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.7 CC(C)[C@@H]1CCCN1 SC-A3785 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.7 CC(O)C1CCCC1 SC-22091 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.7 N=C(N)C1CCCC1 SC-12462 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 N=C(N)C1CCCO1 SC-54449 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.7 NC(=O)C1CCCN1 SC-24789 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.7 NC(=O)C1CCNC1 SC-A3191 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 NC(=O)[C@@H]1CCCN1 SC-06632 [1,0,0,0,0,0|1,0,0]=2 43 B8R1.7 NC(=O)[C@H]1CCCN1 SC-09817 [1,0,0,0,0,0|1,0,0]=2 44 B8R1.7 O=C(Cl)C1CCCC1 SC-45320 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.7 O=C(Cl)C1CCOC1 SC-45575 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.7 O=C(Cl)N1CCCC1 SC-72914 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.7 O=C(O)C1=CCCC1 SC-65352 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.7 O=C(O)C1=NCCC1 SC-A4966 [1,0,0,0,0,0|0,0,2]=3 49 B8R1.7 O=C(O)C1C=CCC1 SC-25940 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.7 O=C(O)C1C=CCN1 SC-50874 [1,0,0,0,0,0|0,0,2]=3 51 B8R1.7 O=C(O)C1CCCC1 SC-18675 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [1,0,0,0,0,0|1,0,0]=2 53 B8R1.7 O=C(O)C1CCCS1 SC-12921 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.7 O=C(O)C1CCOC1 SC-21248 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.7 O=C(O)[C@@H]1C=CCN1 SC-21522 [1,0,0,0,0,0|0,0,2]=3 56 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [1,0,0,0,0,0|0,0,0]=1 57 B8R1.7 O=C(O)[C@@H]1CCCO1 SC-07093 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.7 O=C(O)[C@@H]1CCNC1 SC-48463 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.7 O=C(O)[C@@H]1CCOC1 SC-25192 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.7 O=C(O)[C@@H]1CSCN1 SC-77532 [1,0,0,0,0,0|1,0,0]=2 61 B8R1.7 O=C(O)[C@H]1C=CCN1 SC-52280 [1,0,0,0,0,0|0,0,2]=3 62 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [1,0,0,0,0,0|1,0,0]=2 63 B8R1.7 O=C(O)[C@H]1CCNC1 SC-25206 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.7 O=C(O)[C@H]1CCOC1 SC-25181 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.7 OB(O)C1CCCC1 SC-58324 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.7 OC(=S)[C@H]1CCCO1 SC-28168 [1,0,0,0,0,0|1,1,0]=3 67 B8R1.7 [C@@H]1(C(N)=O)CCCN1 SC-09818 [1,0,0,0,0,0|1,0,0]=2 68 B8R1.7 [C@H]1(C(=O)O)CCNC1 SC-48462 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.7 [C@H]1(C(N)=O)CCCN1 SC-13550 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.14 COC(=O)C1CC(=O)CO1 SC-21290 [0,1,0,0,0,0|1,0,2]=4 71 B10R1.14 COC(=O)C1CC(O)CN1 SC-16714 [0,1,0,0,0,0|0,0,0]=1 72 B10R1.14 COC(=O)C1CCC(=O)C1 SC-32839 [0,1,0,0,0,0|1,0,2]=4 73 B10R1.14 COC(=O)C1CCC(O)C1 SC-A3344 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 SC-97420 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 SC-23929 [0,1,0,0,0,0|0,0,0]=1 76 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 SC-98936 [0,1,0,0,0,0|0,0,0]=1 77 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 SC-82671 [0,1,0,0,0,0|0,0,0]=1 78 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 SC-84077 [0,1,0,0,0,0|1,0,0]=2 79 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 SC-28158 [0,1,0,0,0,0|0,0,0]=1 80 B10R1.31 N#CC1CNC(C(=O)O)C1 SC-29107 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.59 CN1C[C@@H](N)C[C@@H]1C(=O)[O-] SC-99757 [0,1,0,0,0,0|1,0,1]=3 82 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 SC-82865 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.359 O=C(O)C1CCC(F)(F)C1 SC-25380 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 SC-29409 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 SC-B8320 [0,1,0,0,0,0|1,0,0]=2 86 B8R0.8 CCCCC(C)C(=O)Cl SC-40559 [0,0,1,0,0,0|3,0,0]=4 87 B8R0.8 CCCCC(N)C(=O)O SC-10365 [0,0,1,0,0,0|3,0,0]=4 88 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.8 NCCCC(N)C(=O)O SC-10385 [0,0,1,0,0,0|3,0,0]=4 90 B8R0.8 NCCCC(N)C(=O)O SC-48991 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.9 C=CC(N)CCC(=O)O SC-82297 [0,0,1,0,0,0|2,0,1]=4 92 B8R0.9 CC(CCl)CCC(=O)Cl SC-A5387 [0,0,1,0,0,0|3,0,0]=4 93 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,0,1,0,0,0|1,0,2]=4 94 B8R0.9 NCC(=O)CCC(=O)O SC-15622 [0,0,1,0,0,0|0,0,2]=3 95 B8R0.9 NCC(=O)CCC(=O)O SC-52394 [0,0,1,0,0,0|0,0,2]=3 96 B8R0.15 C=C[C@@H](CCC)C(=O)O SC-31733 [0,0,1,0,0,0|2,0,1]=4 97 B8R0.15 C=C[C@H](CCC)C(=O)O SC-32017 [0,0,1,0,0,0|2,0,1]=4 98 B8R0.15 CCCC(CC)C(=O)O SC-82317 [0,0,1,0,0,0|2,0,0]=3 99 B8R0.23 C=C(Br)C[C@H](N)C(=O)O SC-A2609 [0,0,1,0,0,0|1,0,2]=4 100 B8R0.23 CC(C)CC(=O)C(=O)O SC-13856 [0,0,1,0,0,0|2,0,1]=4 101 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,0,1,0,0,0|2,0,0]=3 102 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,0,1,0,0,0|1,0,0]=2 103 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,0,1,0,0,0|1,0,0]=2 104 B8R0.23 CC(C)CC(O)C(=O)O SC-08876 [0,0,1,0,0,0|2,0,0]=3 105 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [0,0,1,0,0,0|2,0,0]=3 106 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,0,1,0,0,0|1,0,0]=2 107 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,0,1,0,0,0|2,0,0]=3 108 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [0,0,1,0,0,0|2,0,0]=3 109 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,0,1,0,0,0|2,0,0]=3 110 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,0,1,0,0,0|2,0,1]=4 111 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,0,1,0,0,0|2,0,1]=4 112 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,0,1,0,0,0|1,0,2]=4 113 B8R0.23 NC(CC(=O)O)C(=O)[O-] SC-20735 [0,0,1,0,0,0|1,0,2]=4 114 B8R0.23 NC(CC(F)F)C(=O)O SC-48857 [0,0,1,0,0,0|2,0,0]=3 115 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-15827 [0,0,1,0,0,0|1,0,2]=4 116 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-19578 [0,0,1,0,0,0|1,0,2]=4 117 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-65201 [0,0,1,0,0,0|1,0,2]=4 118 B8R0.23 O=C(O)CC(O)C(=O)O SC-19305 [0,0,1,0,0,0|2,0,1]=4 119 B8R0.23 O=C(O)CC(O)C(=O)O SC-43909 [0,0,1,0,0,0|2,0,1]=4 120 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O SC-04187 [0,0,1,0,0,0|2,0,1]=4 121 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,0,1,0,0,0|2,0,1]=4 122 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SC-26843 [0,0,1,0,0,0|2,0,1]=4 123 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,0,1,0,0,0|2,0,1]=4 124 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,0,1,0,0,0|2,0,1]=4 125 B8R0.28 O=C(O)CNCC(=O)O SC-79871 [0,0,1,0,0,0|1,0,1]=3 126 B8R0.28 O=C(O)COCC(=O)O SC-93218 [0,0,1,0,0,0|2,0,1]=4 127 B10R2.357 O=C(O)C1CC2CC2C1 SC-25088 [0,0,0,1,0,0|2,0,0]=3 128 B10R2.357 O=C(O)C1CC2CC2C1 SC-B7776 [0,0,0,1,0,0|2,0,0]=3 129 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 SC-84318 [0,0,0,1,0,0|2,0,0]=3 130 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]=3 131 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]=3 132 B8R1.23 C=C1CC(C(=O)O)C1 SC-20999 [0,0,0,0,1,0|1,0,1]=3 133 B8R1.23 CC(=O)N1CC(N)C1 SC-51444 [0,0,0,0,1,0|3,0,0]=4 134 B8R1.23 CC(=O)N1CC(N)C1 SC-A3072 [0,0,0,0,1,0|3,0,0]=4 135 B8R1.23 CC(=O)N1CC(N)C1 SC-B8083 [0,0,0,0,1,0|3,0,0]=4 136 B8R1.23 CC(=O)N1CC(O)C1 SC-93602 [0,0,0,0,1,0|2,0,0]=3 137 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,0,0,0,1,0|1,0,0]=2 138 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [0,0,0,0,1,0|2,0,0]=3 139 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-48610 [0,0,0,0,1,0|1,0,0]=2 140 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-70419 [0,0,0,0,1,0|1,0,0]=2 141 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [0,0,0,0,1,0|1,0,0]=2 142 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SC-96294 [0,0,0,0,1,0|0,0,0]=1 143 B8R1.23 O=C1CC(C(=O)O)C1 SC-14962 [0,0,0,0,1,0|0,0,2]=3 144 B8R1.23 O=C1CC(C(=O)O)N1 SC-51258 [0,0,0,0,1,0|0,0,2]=3 145 B8R1.23 [C@@H]1(C(=O)O)CC(=O)N1 SC-15020 [0,0,0,0,1,0|0,0,2]=3 146 B10R1.13 CC(=O)N1CCC(O)CC1 SC-15455 [0,0,0,0,0,1|3,0,0]=4 147 B10R1.13 CN1CCC(C(=O)O)CC1 SC-06275 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.13 CN1CCC(C(=O)O)CC1 SC-26675 [0,0,0,0,0,1|3,0,0]=4 149 B10R1.13 CN1CCC(C(=O)O)CC1 SC-77778 [0,0,0,0,0,1|3,0,0]=4 150 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 SC-00751 [0,0,0,0,0,1|2,0,0]=3 151 B10R1.13 NC(=O)[C@H]1CC[C@H](O)CC1 SC-90108 [0,0,0,0,0,1|2,0,0]=3 152 B10R1.13 NC1CCC(C(=O)O)CC1 SC-46143 [0,0,0,0,0,1|2,0,0]=3 153 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SC-43852 [0,0,0,0,0,1|2,0,0]=3 154 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SC-47469 [0,0,0,0,0,1|2,0,0]=3 155 B10R1.13 O=C(O)C1CCC(O)CC1 SC-47408 [0,0,0,0,0,1|1,0,0]=2 156 B10R1.13 O=C(O)C1CCC(O)CC1 SC-84382 [0,0,0,0,0,1|1,0,0]=2 157 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 SC-51226 [0,0,0,0,0,1|0,0,0]=1 158 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 SC-B8363 [0,0,0,0,0,1|0,0,0]=1 159 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 SC-51087 [0,0,0,0,0,1|1,0,0]=2 160 B10R1.13 O=C([O-])[C@H]1CC[C@@H](O)CC1 SC-97857 [0,0,0,0,0,1|1,0,1]=3 161 B10R1.13 O=C1CCC(C(=O)O)CC1 SC-66056 [0,0,0,0,0,1|1,0,2]=4 162 B10R1.13 O=C1CCC(C(=O)O)CN1 SC-91365 [0,0,0,0,0,1|1,0,2]=4 163 B10R1.13 O=C1CNC(C(=O)O)CN1 SC-47913 [0,0,0,0,0,1|0,0,2]=3 164 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 SC-49020 [0,0,0,0,0,1|2,0,1]=4 165 B10R1.54 O=C(O)CC1CCC(=O)C1 SC-32553 [0,0,0,0,0,1|1,0,2]=4 166 B10R1.113 CC(=O)N1CCC[C@H](O)C1 SC-88350 [0,0,0,0,0,1|3,0,0]=4 167 B10R1.113 CC1CCCC(C(=O)O)C1 SC-52381 [0,0,0,0,0,1|2,0,0]=3 168 B10R1.113 CN1CCCC(C(=O)O)C1 SC-53949 [0,0,0,0,0,1|3,0,0]=4 169 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 SC-21748 [0,0,0,0,0,1|1,0,0]=2 170 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)[O-])C1 SC-15310 [0,0,0,0,0,1|1,0,1]=3 171 B10R1.113 NC(=O)C1CCCC(N)C1 SC-52374 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.113 NC1CCCC(C(=O)O)C1 SC-15059 [0,0,0,0,0,1|2,0,0]=3 173 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SC-48763 [0,0,0,0,0,1|2,0,0]=3 174 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SC-48783 [0,0,0,0,0,1|2,0,0]=3 175 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 SC-68749 [0,0,0,0,0,1|2,0,0]=3 176 B10R1.113 O=C(O)C1CNCC(O)C1 SC-26985 [0,0,0,0,0,1|0,0,0]=1 177 B10R1.113 O=C(O)C1CNCC(O)C1 SC-51267 [0,0,0,0,0,1|0,0,0]=1 178 B10R1.113 O=C1CC(C(=O)O)CCN1 SC-95916 [0,0,0,0,0,1|1,0,2]=4 179 B10R1.113 O=C1CCNC(C(=O)O)C1 SC-A4097 [0,0,0,0,0,1|0,0,2]=3 180 B7R0.3 C=CCCC(O)CN SC-34956 [1,0,1,0,0,0|1,0,0]=3 181 B7R0.4 C#CCCCC(=O)O SC-73017 [1,0,1,0,0,0|1,0,1]=4 182 B7R0.4 C#CCNCC(=O)O SC-10418 [1,0,1,0,0,0|0,0,2]=4 183 B7R0.4 C#CCNCC(=O)O SC-10419 [1,0,1,0,0,0|0,0,2]=4 184 B7R0.4 C#CCNCC(=O)O SC-65650 [1,0,1,0,0,0|0,0,2]=4 185 B7R0.4 C=CCCCC(=O)O SC-93956 [1,0,1,0,0,0|1,0,1]=4 186 B7R0.4 C=CCNCC(=O)O SC-74362 [1,0,1,0,0,0|0,0,2]=4 187 B7R0.4 CCCNCC(=O)O SC-97541 [1,0,1,0,0,0|0,0,0]=2 188 B7R0.4 CCCSCC(=O)O SC-45283 [1,0,1,0,0,0|1,0,0]=3 189 B7R0.4 CCC\C=C\C(=O)O SC-39942 [1,0,1,0,0,0|1,0,1]=4 190 B7R0.4 CNCCCC(=O)O SC-49793 [1,0,1,0,0,0|2,0,0]=4 191 B7R0.4 CNCCCC(=O)O SC-A2900 [1,0,1,0,0,0|2,0,0]=4 192 B7R0.4 COCCCC(=O)O SC-51378 [1,0,1,0,0,0|2,0,0]=4 193 B7R0.4 NC(=O)CCCCBr SC-98143 [1,0,1,0,0,0|2,0,0]=4 194 B7R0.4 NCCCCC(=O)O SC-10120 [1,0,1,0,0,0|0,0,0]=2 195 B7R0.4 NCCCCC(=O)O SC-92391 [1,0,1,0,0,0|0,0,0]=2 196 B7R0.4 NCCCCC(N)=O SC-94858 [1,0,1,0,0,0|1,0,0]=3 197 B7R0.4 NCCCCC(N)=O SC-A4262 [1,0,1,0,0,0|1,0,0]=3 198 B7R0.4 NCCNCC(=O)O SC-21750 [1,0,1,0,0,0|1,0,0]=3 199 B7R0.4 O=C(Cl)CCCCBr SC-13447 [1,0,1,0,0,0|2,0,0]=4 200 B7R0.4 O=C(Cl)CCCCCl SC-16009 [1,0,1,0,0,0|2,0,0]=4 201 B7R0.4 O=C(O)CCCCBr SC-02338 [1,0,1,0,0,0|1,0,0]=3 202 B7R0.4 O=C([O-])COCCO SC-A2671 [1,0,1,0,0,0|1,0,1]=4 203 B7R0.5 C#CCC(N)C(=O)O SC-70414 [1,0,1,0,0,0|0,0,2]=4 204 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [1,0,1,0,0,0|0,0,2]=4 205 B7R0.5 C=CCC(N)C(=O)O SC-10031 [1,0,1,0,0,0|0,0,2]=4 206 B7R0.5 C=CCC(N)C(=O)O SC-10032 [1,0,1,0,0,0|0,0,2]=4 207 B7R0.5 C=CCC(N)C(=O)O SC-14116 [1,0,1,0,0,0|0,0,2]=4 208 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [1,0,1,0,0,0|0,0,2]=4 209 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [1,0,1,0,0,0|0,0,2]=4 210 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,0,1,0,0,0|1,0,0]=3 211 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [1,0,1,0,0,0|1,0,0]=3 212 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [1,0,1,0,0,0|1,0,0]=3 213 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,0,1,0,0,0|0,0,0]=2 214 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [1,0,1,0,0,0|1,0,0]=3 215 B7R0.5 CC\C=C(/C)C(=O)O SC-62297 [1,0,1,0,0,0|1,0,1]=4 216 B7R0.5 COCC(N)C(=O)O SC-43930 [1,0,1,0,0,0|1,0,0]=3 217 B7R0.5 COC[C@@H](N)C(=O)O SC-44175 [1,0,1,0,0,0|1,0,0]=3 218 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [1,0,1,0,0,0|1,0,0]=3 219 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [1,0,1,0,0,0|1,0,0]=3 220 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [1,0,1,0,0,0|1,0,0]=3 221 B7R0.5 NC(CCO)C(=O)O SC-10290 [1,0,1,0,0,0|0,0,0]=2 222 B7R0.5 NCCC(N)C(=O)O SC-10146 [1,0,1,0,0,0|1,0,0]=3 223 B7R0.5 NCCC(N)C(=O)O SC-20723 [1,0,1,0,0,0|1,0,0]=3 224 B7R0.5 NCCC(N)C(=O)O SC-23452 [1,0,1,0,0,0|1,0,0]=3 225 B7R0.5 NCCC(N)C(=O)O SC-25055 [1,0,1,0,0,0|1,0,0]=3 226 B7R0.5 NCCC(O)C(=O)O SC-16245 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.5 NCC[C@@H](O)C(=O)O SC-26595 [1,0,1,0,0,0|2,0,0]=4 228 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [1,0,1,0,0,0|1,0,0]=3 229 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [1,0,1,0,0,0|0,0,0]=2 230 B7R0.6 C=C(C)CCC(=O)O SC-31541 [1,0,1,0,0,0|1,0,1]=4 231 B7R0.6 CC(C)CCC(=O)O SC-57917 [1,0,1,0,0,0|1,0,0]=3 232 B7R0.6 CC(C)OCC(=O)O SC-88240 [1,0,1,0,0,0|2,0,0]=4 233 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [1,0,1,0,0,0|2,0,0]=4 234 B7R0.6 CC(O)CCC(C)O SC-92842 [1,0,1,0,0,0|1,0,1]=4 235 B7R0.6 CN(C)CCC(=O)O SC-84721 [1,0,1,0,0,0|2,0,0]=4 236 B7R0.6 CN(C)CCC(=O)O SC-84792 [1,0,1,0,0,0|2,0,0]=4 237 B7R0.6 CN(C)CCC(=O)O SC-98010 [1,0,1,0,0,0|2,0,0]=4 238 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [1,0,1,0,0,0|1,0,0]=3 239 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [1,0,1,0,0,0|1,0,1]=4 240 B7R0.15 CNC(CO)C(=O)O SC-26706 [1,0,1,0,0,0|0,0,0]=2 241 B7R0.15 O=C(O)[C@H](CO)NP SC-A4575 [1,0,1,0,0,0|1,0,0]=3 242 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [1,0,1,0,0,0|0,0,0]=2 243 B7R0.2 CC(C)C[C@@H](N)CO SC-15764 [1,0,1,0,0,0|1,0,1]=4 244 B7R1.1 CCC1CCCN1 SC-29181 [2,0,0,0,0,0|1,0,1]=4 245 B7R1.1 N#CC1CCCN1 SC-70822 [2,0,0,0,0,0|1,0,1]=4 246 B7R1.1 N#C[C@@H]1CCCN1 SC-52275 [2,0,0,0,0,0|1,0,1]=4 247 B7R1.1 N#C[C@H]1CCCN1 SC-72638 [2,0,0,0,0,0|1,0,1]=4 248 B7R1.1 NCC1CCCN1 SC-98158 [2,0,0,0,0,0|1,0,1]=4 249 B7R1.1 O=CC1CCCC1 SC-21778 [2,0,0,0,0,0|1,0,0]=3 250 B7R1.1 O=CC1CCCC1 SC-44728 [2,0,0,0,0,0|1,0,0]=3 251 B7R1.1 O=CC1CCNC1 SC-85271 [2,0,0,0,0,0|2,0,0]=4 252 B7R1.1 O=CC1CCOC1 SC-29081 [2,0,0,0,0,0|2,0,0]=4 253 B7R1.1 OCC1CCCC1 SC-03842 [2,0,0,0,0,0|1,0,1]=4 254 B7R1.1 OCC1CCCN1 SC-12006 [2,0,0,0,0,0|0,0,1]=3 255 B7R1.1 OCC1CCCO1 SC-94849 [2,0,0,0,0,0|1,0,1]=4 256 B7R1.1 OC[C@@H]1CCCN1 SC-48321 [2,0,0,0,0,0|0,0,1]=3 257 B7R1.1 OC[C@@H]1CCCO1 SC-20330 [2,0,0,0,0,0|1,0,1]=4 258 B7R1.1 OC[C@@H]1CCCO1 SC-68774 [2,0,0,0,0,0|1,0,1]=4 259 B7R1.2 CC1CNC(=O)C1 SC-50248 [2,0,0,0,0,0|1,0,1]=4 260 B7R1.2 CC1CNC(C)C1 SC-69891 [2,0,0,0,0,0|1,0,1]=4 261 B7R1.2 C[C@@H]1C[C@H](O)CN1 SC-51782 [2,0,0,0,0,0|0,0,1]=3 262 B7R1.2 NC1CCC(O)C1 SC-45420 [2,0,0,0,0,0|2,0,0]=4 263 B7R1.2 NC1CCC(O)C1 SC-47773 [2,0,0,0,0,0|2,0,0]=4 264 B7R1.2 NC1CCC(O)C1 SC-47979 [2,0,0,0,0,0|2,0,0]=4 265 B7R1.2 NC1CCC(O)C1 SC-49660 [2,0,0,0,0,0|2,0,0]=4 266 B7R1.2 NC1CCC(O)C1 SC-51126 [2,0,0,0,0,0|2,0,0]=4 267 B7R1.2 NC1CCC(O)C1 SC-92977 [2,0,0,0,0,0|2,0,0]=4 268 B7R1.2 NC1CNC(=O)C1 SC-66063 [2,0,0,0,0,0|1,0,1]=4 269 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SC-83478 [2,0,0,0,0,0|2,0,0]=4 270 B7R1.2 N[C@@H]1CC[C@H](O)C1 SC-83316 [2,0,0,0,0,0|2,0,0]=4 271 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-42369 [2,0,0,0,0,0|2,0,0]=4 272 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-47775 [2,0,0,0,0,0|2,0,0]=4 273 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-47774 [2,0,0,0,0,0|2,0,0]=4 274 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-93243 [2,0,0,0,0,0|2,0,0]=4 275 B7R1.2 N[C@H]1CNC(=O)C1 SC-52716 [2,0,0,0,0,0|1,0,1]=4 276 B7R1.2 O=C1CC(O)CN1 SC-29049 [2,0,0,0,0,0|0,0,1]=3 277 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [2,0,0,0,0,0|0,0,1]=3 278 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [2,0,0,0,0,0|0,0,1]=3 279 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [2,0,0,0,0,0|1,0,1]=4 280 B7R1.2 OC1CCC(O)C1 SC-66165 [2,0,0,0,0,0|1,0,0]=3 281 B9R0.7 CC(CCC(=O)O)C(=O)O SC-53293 [0,1,1,0,0,0|1,0,1]=4 282 B9R0.47 C=CCCC[C@@H](C)C(=O)O SC-31827 [0,1,1,0,0,0|2,0,0]=4 283 B9R0.47 C=CCCC[C@H](C)C(=O)O SC-31058 [0,1,1,0,0,0|2,0,0]=4 284 B9R0.47 COCCC[C@@H](N)C(=O)O SC-49289 [0,1,1,0,0,0|2,0,0]=4 285 B9R0.24 COC(=O)CCC(=O)CN SC-01776 [0,1,1,0,0,0|0,0,2]=4 286 B9R0.15 CCCC(CCC)C(=O)O SC-23854 [0,1,1,0,0,0|2,0,0]=4 287 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-82208 [0,1,1,0,0,0|1,0,0]=3 288 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-A5131 [0,1,1,0,0,0|1,0,0]=3 289 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O SC-A4616 [0,1,1,0,0,0|1,0,0]=3 290 B9R0.11 CC(C)C[C@](C)(N)C(=O)O SC-A4612 [0,1,1,0,0,0|1,0,0]=3 291 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-20148 [0,1,1,0,0,0|1,0,0]=3 292 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-70362 [0,1,1,0,0,0|1,0,0]=3 293 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SC-52818 [0,1,1,0,0,0|1,0,0]=3 294 B9R0.57 [C@H](N)(CS(=O)(=O)O)C(=O)O SC-09435 [0,1,1,0,0,0|2,0,0]=4 295 B9R0.79 CC(C)C(O)C(N)C(=O)O SC-48909 [0,1,1,0,0,0|1,0,0]=3 296 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O SC-48910 [0,1,1,0,0,0|1,0,0]=3 297 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O SC-A0972 [0,1,1,0,0,0|0,0,0]=2 298 B9R0.79 NC(C(=O)O)C(N)C(=O)O SC-10250 [0,1,1,0,0,0|1,0,1]=4 299 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]=4 300 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O SC-10299 [0,1,1,0,0,0|1,0,1]=4 301 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O SC-10301 [0,1,1,0,0,0|1,0,1]=4 302 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,1,1,0,0,0|2,0,0]=4 303 B9R0.56 CC(F)(F)CCCC(=O)O SC-34273 [0,1,1,0,0,0|2,0,0]=4 304 B9R1.22 CN1C[C@H](O)C[C@H]1CO SC-23737 [1,1,0,0,0,0|0,0,1]=3 305 B9R1.11 CCC(=O)C1CCCC1 SC-69831 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.11 COC(=O)C1=CCCC1 SC-47854 [1,1,0,0,0,0|1,0,1]=4 307 B9R1.11 COC(=O)C1C=CCN1 SC-51004 [1,1,0,0,0,0|0,0,2]=4 308 B9R1.11 COC(=O)C1CCCC1 SC-58226 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.11 COC(=O)C1CCCN1 SC-01646 [1,1,0,0,0,0|0,0,0]=2 310 B9R1.11 COC(=O)C1CCCN1 SC-12256 [1,1,0,0,0,0|0,0,0]=2 311 B9R1.11 COC(=O)C1CCOC1 SC-99459 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.11 COC(=O)[C@@H]1CCCN1 SC-17303 [1,1,0,0,0,0|0,0,0]=2 313 B9R1.11 COC(=O)[C@@H]1CCNC1 SC-70520 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.11 COC(=O)[C@H]1CCCN1 SC-09823 [1,1,0,0,0,0|0,0,0]=2 315 B9R1.11 COC(=O)[C@H]1CCCN1 SC-50892 [1,1,0,0,0,0|0,0,0]=2 316 B9R1.11 COC(=O)[C@H]1CCNC1 SC-98419 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.11 N=C(NO)C1CCCC1 SC-56231 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.11 NNC(=O)C1CCCC1 SC-59719 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.11 N\C(=N\O)C1CCCC1 SC-29653 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.11 O=C(CBr)C1CCCC1 SC-14732 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-21501 [1,1,0,0,0,0|0,0,0]=2 322 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-28867 [1,1,0,0,0,0|0,0,0]=2 323 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-52270 [1,1,0,0,0,0|0,0,0]=2 324 B9R1.41 CN1CCC[C@H]1C(=O)O SC-21471 [1,1,0,0,0,0|0,0,0]=2 325 B9R1.41 CN1CCC[C@H]1C(=O)O SC-23602 [1,1,0,0,0,0|0,0,0]=2 326 B9R1.41 NC1CCCC1C(=O)O SC-29667 [1,1,0,0,0,0|1,0,0]=3 327 B9R1.41 NC1CCCC1C(=O)O SC-A3650 [1,1,0,0,0,0|1,0,0]=3 328 B9R1.41 NC1CCNC1C(=O)O SC-49345 [1,1,0,0,0,0|0,0,0]=2 329 B9R1.41 NC1CCSC1C(=O)O SC-29866 [1,1,0,0,0,0|1,0,0]=3 330 B9R1.41 NC1CSCC1C(=O)O SC-30185 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O SC-21947 [1,1,0,0,0,0|0,0,0]=2 332 B9R1.163 CC(=O)C1(O)CCCC1 SC-41840 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.163 CC1(C(=O)O)CCCC1 SC-26150 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.163 CC1(C(=O)O)CCNC1 SC-69239 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.163 C[C@@]1(C(N)=O)CCCN1 SC-88089 [1,1,0,0,0,0|1,0,0]=3 336 B9R1.163 C[C@]1(C(=O)O)CCCN1 SC-87593 [1,1,0,0,0,0|0,0,0]=2 337 B9R1.163 C[C@]1(C(=O)O)CCNC1 SC-A3614 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.163 NC1(C(=O)O)CCCC1 SC-11054 [1,1,0,0,0,0|1,0,0]=3 339 B9R1.163 NC1(C(=O)O)CCNC1 SC-49720 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.163 NC1(C(=O)O)CCOC1 SC-35949 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.163 O=C(O)C1(O)CCCC1 SC-A3517 [1,1,0,0,0,0|1,0,0]=3 342 B9R1.55 C=C1CC(C(=O)O)C1N SC-29613 [0,1,0,0,1,0|1,0,1]=4 343 B9R1.82 C=C1CC(C(=O)OC)C1 SC-48884 [0,1,0,0,1,0|1,0,1]=4 344 B9R1.82 COC(=O)C1CC(=O)C1 SC-21555 [0,1,0,0,1,0|0,0,2]=4 345 B9R1.82 COC(=O)C1CC(Br)C1 SC-B7444 [0,1,0,0,1,0|1,0,0]=3 346 B9R1.82 COC(=O)C1CC(Cl)C1 SC-B8557 [0,1,0,0,1,0|1,0,0]=3 347 B9R1.82 COC(=O)C1CC(O)C1 SC-53013 [0,1,0,0,1,0|0,0,0]=2 348 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SC-99994 [0,1,0,0,1,0|0,0,0]=2 349 B9R1.95 COC1CC(C(=O)O)C1 SC-21516 [0,1,0,0,1,0|0,0,0]=2 350 B9R1.164 O=C(O)C1CC(F)(F)C1 SC-14449 [0,1,0,0,1,0|1,0,0]=3 351 B9R1.52 C=C1CC(N)C1C(=O)O SC-29552 [0,1,0,0,1,0|2,0,0]=4 352 B11R1.3 CO[C@H]1CC[C@H](C(=O)O)CC1 SC-68770 [0,1,0,0,0,1|1,0,0]=3 353 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 SC-19036 [0,1,0,0,0,1|2,0,0]=4 354 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 SC-90830 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.3 NN[C@H]1CC[C@H](C(=O)O)CC1 SC-13747 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.21 NC1CCC(C(=O)O)NC1=O SC-49698 [0,1,0,0,0,1|1,0,1]=4 357 B11R1.22 COC(=O)C1CCC(N)CC1 SC-36281 [0,1,0,0,0,1|2,0,0]=4 358 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 SC-65244 [0,1,0,0,0,1|2,0,0]=4 359 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 SC-66137 [0,1,0,0,0,1|2,0,0]=4 360 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 SC-93954 [0,1,0,0,0,1|1,0,0]=3 361 B11R1.727 O=C(O)C1CCC(F)(F)CC1 SC-19912 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.645 O=C(O)CN1CC(O)CC1=O SC-72065 [0,1,0,0,0,1|2,0,0]=4 363 B11R1.23 COC(=O)C1CC(N)CCN1 SC-60005 [0,1,0,0,0,1|1,0,0]=3 364 B11R1.23 COC(=O)C1CN(C)CCN1 SC-28943 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.23 COC(=O)C1CNCC(C)C1 SC-99538 [0,1,0,0,0,1|1,0,0]=3 366 B11R1.23 COC(=O)C1CNCC(O)C1 SC-21858 [0,1,0,0,0,1|0,0,0]=2 367 B11R1.23 COC(=O)C1CNCC(O)C1 SC-97068 [0,1,0,0,0,1|0,0,0]=2 368 B11R1.74 NC1CC(=O)NC(C(=O)O)C1 SC-69983 [0,1,0,0,0,1|1,0,0]=3 369 B11R1.730 CC1(C)CC(C(=O)O)CCO1 SC-65921 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.15 CCOC(=O)C1CC(O)CN1 SC-09605 [0,2,0,0,0,0|0,0,0]=2 371 B11R1.15 CCOC(=O)C1CCC(O)C1 SC-51294 [0,2,0,0,0,0|1,0,0]=3 372 B11R1.15 CCOC(=O)[C@H]1C[C@@H](O)CN1 SC-00806 [0,2,0,0,0,0|0,0,0]=2 373 B11R1.15 CCOC(=O)[C@H]1C[C@@H](O)CN1 SC-42384 [0,2,0,0,0,0|0,0,0]=2 374 B11R1.44 COC(=O)C1CCC(OC)N1 SC-52730 [0,2,0,0,0,0|2,0,0]=4 375 B11R1.225 COC(=O)[C@@H]1C[C@@H](O)CN1C SC-82984 [0,2,0,0,0,0|0,0,0]=2 376 B11R1.226 COC(=O)C1CC(N)C(=O)N1 SC-48396 [0,2,0,0,0,0|1,0,1]=4 377 B11R1.866 COC(=O)C1CCC(F)(F)C1 SC-68617 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 SC-04127 [0,2,0,0,0,0|1,0,0]=3 379 B9R1.6 NC(=O)C1CCCCN1 SC-13181 [0,0,1,1,0,0|2,0,0]=4 380 B9R1.6 O=C(O)C1=CCCOC1 SC-35927 [0,0,1,1,0,0|1,0,1]=4 381 B9R1.6 O=C(O)C1CCCCO1 SC-27357 [0,0,1,1,0,0|2,0,0]=4 382 B9R1.6 O=C(O)C1CCCOC1 SC-49188 [0,0,1,1,0,0|1,0,0]=3 383 B9R1.6 O=C(O)C1CNCCN1 SC-21327 [0,0,1,1,0,0|1,0,0]=3 384 B9R1.6 O=C(O)C1CNCCO1 SC-27398 [0,0,1,1,0,0|2,0,0]=4 385 B9R1.6 O=C(O)C1CNCCS1 SC-49246 [0,0,1,1,0,0|2,0,0]=4 386 B9R1.6 O=C(O)C1CNCCS1 SC-A2935 [0,0,1,1,0,0|2,0,0]=4 387 B9R1.6 O=C(O)C1COCCN1 SC-22999 [0,0,1,1,0,0|0,0,0]=2 388 B9R1.6 O=C(O)C1COCCN1 SC-25354 [0,0,1,1,0,0|0,0,0]=2 389 B9R1.6 O=C(O)C1COCCN1 SC-27629 [0,0,1,1,0,0|0,0,0]=2 390 B9R1.6 O=C(O)C1CSCCN1 SC-47973 [0,0,1,1,0,0|0,1,0]=3 391 B9R1.6 O=C(O)[C@@H]1CCCNN1 SC-49631 [0,0,1,1,0,0|2,0,0]=4 392 B9R1.6 O=C(O)[C@@H]1CNCCN1 SC-08890 [0,0,1,1,0,0|1,0,0]=3 393 B9R1.6 O=C(O)[C@@H]1CSCCN1 SC-82353 [0,0,1,1,0,0|0,1,0]=3 394 B9R1.6 O=C(O)[C@H]1CNCCN1 SC-00676 [0,0,1,1,0,0|1,0,0]=3 395 B9R1.6 O=C(O)[C@H]1CSCCN1 SC-33694 [0,0,1,1,0,0|0,1,0]=3 396 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 SC-02884 [0,0,1,1,0,0|2,0,0]=4 397 B9R1.6 [C@H]1(C(=O)O)CCCNC1 SC-05572 [0,0,1,1,0,0|2,0,0]=4 398 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11115 [0,0,1,1,0,0|1,0,0]=3 399 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11116 [0,0,1,1,0,0|1,0,0]=3 400 B9R1.1 NCC1CCC(=O)NC1 SC-A2876 [0,0,1,1,0,0|2,0,0]=4 401 B9R1.84 O=C(O)CCC1CCC1 SC-30968 [0,0,1,1,0,0|2,0,0]=4 402 B9R2.39 O=C1CC2CCC1C2 SC-50094 [1,0,0,1,0,0|2,0,0]=4 403 B9R2.39 O=C1NC2CCC1C2 SC-90767 [1,0,0,1,0,0|2,0,0]=4 404 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 SC-52249 [1,0,0,1,0,0|2,0,0]=4 405 B11R2.845 [C@H]12CC[C@H](C1)N[C@@H]2C(=O)O SC-20781 [0,0,0,1,0,1|2,0,0]=4 406 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,0,1,0,1,0|1,0,0]=3 407 B7R0.16 CC(C)C(O)C(=O)O SC-08874 [0,0,1,0,1,0|2,0,0]=4 408 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,0,1,0,1,0|2,0,0]=4 409 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,0,1,0,1,0|2,0,0]=4 410 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,0,1,0,1,0|2,0,0]=4 411 B7R0.16 CC(N)C(N)C(=O)O SC-10139 [0,0,1,0,1,0|1,0,0]=3 412 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,0,1,0,1,0|0,0,0]=2 413 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,0,1,0,1,0|0,0,0]=2 414 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,0,1,0,1,0|0,0,0]=2 415 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O SC-09895 [0,0,1,0,1,0|1,0,0]=3 416 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,0,1,0,1,0|0,0,0]=2 417 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,0,1,0,1,0|0,0,0]=2 418 B7R0.16 [C@@H](Cl)(C(=O)O)C(C)C SC-03021 [0,0,1,0,1,0|2,0,0]=4 419 B7R1.10 COC1CC(O)C1 SC-A4338 [1,0,0,0,1,0|2,0,0]=4 420 B7R1.10 N#CC1CC(O)C1 SC-82674 [1,0,0,0,1,0|1,0,1]=4 421 B7R1.10 NC[C@H]1C[C@H](O)C1 SC-52884 [1,0,0,0,1,0|1,0,1]=4 422 B7R1.10 NC[C@H]1C[C@H](O)C1 SC-B7170 [1,0,0,0,1,0|1,0,1]=4 423 B7R1.10 OCC1CC(F)C1 SC-25285 [1,0,0,0,1,0|1,0,1]=4 424 B7R1.18 CC(=O)C1CCC1 SC-74316 [1,0,0,0,1,0|1,0,0]=3 425 B7R1.18 CC(O)C1CCC1 SC-22088 [1,0,0,0,1,0|1,0,1]=4 426 B7R1.18 N=C(N)C1CCC1 SC-12460 [1,0,0,0,1,0|2,0,0]=4 427 B7R1.18 N=C(N)C1CCC1 SC-B8182 [1,0,0,0,1,0|2,0,0]=4 428 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [1,0,0,0,1,0|1,0,0]=3 429 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [1,0,0,0,1,0|1,0,0]=3 430 B7R1.18 O=C(O)C1CCC1 SC-17776 [1,0,0,0,1,0|0,0,0]=2 431 B7R1.18 O=C(O)C1CCN1 SC-53260 [1,0,0,0,1,0|0,0,0]=2 432 B7R1.18 O=C(O)C1CCO1 SC-22549 [1,0,0,0,1,0|1,0,0]=3 433 B7R1.18 O=C(O)C1COC1 SC-48326 [1,0,0,0,1,0|1,0,0]=3 434 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [1,0,0,0,1,0|0,0,0]=2 435 B7R1.18 OB(O)C1CCC1 SC-21363 [1,0,0,0,1,0|1,0,1]=4 436 B7R1.12 CC1CC1C(=O)Cl SC-60998 [0,0,0,0,2,0|2,0,0]=4 437 B7R1.12 CC1CC1C(=O)O SC-71058 [0,0,0,0,2,0|1,0,0]=3 438 B7R1.12 O=C(O)C1CC1F SC-85228 [0,0,0,0,2,0|1,0,0]=3 439 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,0,0,0,2,0|1,0,0]=3 440 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,0,0,0,2,0|1,0,0]=3 441 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,0,0,0,2,0|1,0,0]=3 442 B9R0.4 CCCC[C@@H](C)CC(=O)O SC-52448 [0,0,1,0,0,1|2,0,0]=4 443 B9R0.55 CC(C)CCCCC(=O)O SC-47475 [0,0,1,0,0,1|2,0,0]=4 444 B9R0.55 CN(C)CCNCC(=O)O SC-48750 [0,0,1,0,0,1|2,0,0]=4 445 B9R1.13 O=C(Cl)OC1CCCC1 SC-69079 [1,0,0,0,0,1|2,0,0]=4 446 B9R1.13 O=C(O)C=C1CCCC1 SC-36663 [1,0,0,0,0,1|1,0,1]=4 447 B9R1.13 O=C(O)CC1CCCN1 SC-49134 [1,0,0,0,0,1|0,0,0]=2 448 B9R1.13 O=C(O)CC1CCCN1 SC-70978 [1,0,0,0,0,1|0,0,0]=2 449 B9R1.13 O=C(O)CC1CCNC1 SC-48282 [1,0,0,0,0,1|2,0,0]=4 450 B9R1.13 O=C(O)CC1CCNC1 SC-53663 [1,0,0,0,0,1|2,0,0]=4 451 B9R1.13 O=C(O)CN1CCCC1 SC-69994 [1,0,0,0,0,1|2,0,0]=4 452 B9R1.13 O=C(O)C[C@@H]1CCCN1 SC-86132 [1,0,0,0,0,1|0,0,0]=2 453 B11R1.20 CC(=O)NC1CCC(O)CC1 SC-93564 [0,0,0,0,0,2|2,0,0]=4 454 B11R1.20 O=C(O)CC1CCC(O)CC1 SC-49645 [0,0,0,0,0,2|1,0,0]=3