0 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,0,0,0,0,0|0,0,0]=0 7 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.16 CC(O)C(C)[N+](=O)[O-] SC-18769 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,0,0,0,0,0|1,0,0]=1 16 B7R0.16 NC(=O)C(N)C(N)=O SC-47934 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.16 NC(C(=O)O)C(=O)O SC-10105 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.16 O=C(O)C(O)C(=O)O SC-70695 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.2 CC(=O)CC(C)=O SC-77723 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.2 CC(=O)NC(C)C SC-A3057 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.2 CC(=O)OC(C)C SC-25616 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.2 CC(C)=CC(=O)O SC-16257 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.2 CC(C)CB(O)O SC-06923 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.2 CN(C)CC(N)=O SC-89197 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [1,0,0,0,0,0|1,0,0]=2 29 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [1,0,0,0,0,0|1,0,0]=2 30 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.3 C=CC(C)C(=O)O SC-65769 [1,0,0,0,0,0|1,0,2]=4 33 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [1,0,0,0,0,0|0,0,2]=3 34 B6R0.3 CC(C#N)C(=O)O SC-65741 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.3 CC(C)C(=N)NO SC-29781 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.3 CC(C)C(C)NN SC-41530 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.3 CC(C)C(O)CN SC-34918 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.3 CC(C)C(O)CN SC-A3426 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.3 CC(C)[C@@H](N)CO SC-04448 [1,0,0,0,0,0|0,0,1]=2 40 B6R0.3 CC(C)[C@H](N)CO SC-02242 [1,0,0,0,0,0|0,0,1]=2 41 B6R0.3 CC(CBr)C(=O)O SC-53016 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.3 CC(CN)C(=O)O SC-10095 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.3 CC(CN)C(=O)O SC-16443 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.3 CCC(F)C(=O)O SC-82839 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.3 CCC(N)C(=O)O SC-25570 [1,0,0,0,0,0|0,0,0]=1 46 B6R0.3 CCC(N)C(N)=O SC-67619 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.3 CCC(S)C(=O)O SC-90417 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.3 CCN(O)C(C)=O SC-69302 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [1,0,0,0,0,0|0,0,0]=1 51 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [1,0,0,0,0,0|0,0,0]=1 53 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.3 COC(C)C(=O)O SC-49776 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.3 N#CC(N)C(N)=O SC-12334 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.3 NC(=O)[C@@H](N)CO SC-09855 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.3 NC(CO)C(=O)O SC-09828 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.3 NC(CS)C(=O)O SC-16429 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.3 NCC(N)C(=O)O SC-12518 [1,0,0,0,0,0|1,0,0]=2 66 B6R0.3 NCC(N)C(=O)O SC-26817 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.3 NCC(O)C(=O)O SC-10335 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [1,0,0,0,0,0|1,0,0]=2 69 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [1,0,0,0,0,0|1,0,0]=2 70 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [1,0,0,0,0,0|1,0,0]=2 71 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [1,0,0,0,0,0|1,0,0]=2 72 B6R0.3 O=C(Cl)C(Br)CBr SC-76209 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.3 O=C(O)C(=O)CBr SC-15238 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.3 O=C(O)C(Br)CBr SC-26969 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.3 O=C(O)C(O)CCl SC-83865 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [1,0,0,0,0,0|1,0,0]=2 77 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [1,0,0,0,0,0|1,0,0]=2 78 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [1,0,0,0,0,0|1,0,0]=2 80 B8R0.2 CCC(C)C(N)C(=O)O SC-09610 [0,1,0,0,0,0|0,0,0]=1 81 B8R0.2 CCC(C)C(N)C(N)=O SC-24873 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.2 COC(=O)C(Br)C(C)C SC-16269 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.2 COC(=O)C(N)C(C)O SC-09896 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O SC-67026 [0,1,0,0,0,0|1,0,0]=2 85 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O SC-83393 [0,1,0,0,0,0|1,0,0]=2 86 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O SC-53376 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO SC-15195 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC SC-22105 [0,1,0,0,0,0|0,0,0]=1 89 B8R0.18 CC(C)[C@@H](CN)C(=O)O SC-A1205 [0,1,0,0,0,0|0,0,0]=1 90 B8R0.18 CC(C)[C@H](CN)C(=O)O SC-A1208 [0,1,0,0,0,0|0,0,0]=1 91 B8R0.18 CC(C)[C@H](CN)C(=O)O SC-A1209 [0,1,0,0,0,0|0,0,0]=1 92 B8R0.27 CC(C)(C)C(=O)C(=O)O SC-75151 [0,1,0,0,0,0|1,0,1]=3 93 B8R0.27 CC(C)(C)C(N)C(=O)O SC-10341 [0,1,0,0,0,0|0,0,0]=1 94 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O SC-10342 [0,1,0,0,0,0|0,0,0]=1 95 B8R0.27 CC(C)(C)[C@H](N)C(=O)O SC-10343 [0,1,0,0,0,0|0,0,0]=1 96 B8R0.27 CC(C)(C)[C@H](N)C(N)=O SC-B0298 [0,1,0,0,0,0|1,0,0]=2 97 B8R0.27 CC(C)(S)C(N)C(=O)O SC-11163 [0,1,0,0,0,0|0,0,0]=1 98 B8R1.54 NC(C(=O)O)C1CC1 SC-45627 [0,0,0,1,0,0|0,0,0]=1 99 B8R1.54 N[C@H](C(=O)O)C1CC1 SC-20216 [0,0,0,1,0,0|0,0,0]=1 100 B8R1.54 O=C(O)C(=O)C1CC1 SC-49223 [0,0,0,1,0,0|1,0,1]=3 101 B8R1.77 O=C(O)C1CC1(F)F SC-82822 [0,0,0,1,0,0|3,0,0]=4 102 B8R0.23 C=C(Br)C[C@H](N)C(=O)O SC-A2609 [0,0,0,0,0,1|1,0,2]=4 103 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,0,0,0,0,1|2,0,1]=4 104 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [0,0,0,0,0,1|2,0,1]=4 105 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [0,0,0,0,0,1|3,0,0]=4 106 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,0,0,0,0,1|1,0,0]=2 107 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,0,0,0,0,1|0,0,0]=1 108 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,0,0,0,0,1|0,0,0]=1 109 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,0,0,0,0,1|0,0,0]=1 110 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,0,0,0,0,1|1,0,0]=2 111 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,0,0,0,0,1|1,0,0]=2 112 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,0,0,0,0,1|2,0,1]=4 113 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09348 [0,0,0,0,0,1|2,0,1]=4 114 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09349 [0,0,0,0,0,1|2,0,1]=4 115 B8R0.23 N[C@H](CC(=O)O)C(=O)O SC-01867 [0,0,0,0,0,1|2,0,1]=4 116 B5R0.1 C#CCC(=O)O SC-40344 [2,0,0,0,0,0|0,0,2]=4 117 B5R0.1 C=CCC(=O)O SC-49093 [2,0,0,0,0,0|0,0,2]=4 118 B5R0.1 CC#CC(=O)O SC-76460 [2,0,0,0,0,0|0,0,2]=4 119 B5R0.1 CC(=O)CCCl SC-21586 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.1 CC(=O)CCO SC-65678 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.1 CC(C)=CC=O SC-00290 [2,0,0,0,0,0|0,0,2]=4 122 B5R0.1 CC(N)CCO SC-82589 [2,0,0,0,0,0|1,0,1]=4 123 B5R0.1 CCCB(O)O SC-47544 [2,0,0,0,0,0|1,0,1]=4 124 B5R0.1 CCCC(=N)N SC-19347 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.1 CCCC(=O)Cl SC-18924 [2,0,0,0,0,0|1,0,0]=3 126 B5R0.1 CCCC(=O)[O-] SC-15718 [2,0,0,0,0,0|0,0,1]=3 127 B5R0.1 CCCC(C)O SC-03320 [2,0,0,0,0,0|1,0,1]=4 128 B5R0.1 CCCC(N)=O SC-46377 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.1 CCOC(N)=O SC-16133 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.1 CN(C)CC=O SC-51643 [2,0,0,0,0,0|1,0,0]=3 131 B5R0.1 CN(C)CCO SC-87330 [2,0,0,0,0,0|1,0,1]=4 132 B5R0.1 CNCC(=O)O SC-10425 [2,0,0,0,0,0|1,0,0]=3 133 B5R0.1 CNCC(N)=O SC-10429 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.1 COCC(=O)Cl SC-27381 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.1 C[C@@H](N)CCO SC-48293 [2,0,0,0,0,0|1,0,1]=4 136 B5R0.1 C[C@@H](O)CCO SC-05919 [2,0,0,0,0,0|1,0,1]=4 137 B5R0.1 C[C@H](O)CCO SC-02840 [2,0,0,0,0,0|1,0,1]=4 138 B5R0.1 C\C=C/C(=O)O SC-25924 [2,0,0,0,0,0|0,0,2]=4 139 B5R0.1 N#CCC(=O)O SC-18648 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.1 NCCC(=O)O SC-10014 [2,0,0,0,0,0|1,0,0]=3 141 B5R0.1 NCCC(N)=O SC-48688 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.1 NCCC(N)=O SC-84499 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.1 O=C(Cl)CCCl SC-16310 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.1 O=C(O)CCBr SC-18441 [2,0,0,0,0,0|1,0,0]=3 145 B5R0.1 O=C(O)CCS SC-22642 [2,0,0,0,0,0|1,0,0]=3 146 B5R0.3 C=CC(O)CC SC-93539 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.3 C=C[C@H](N)CO SC-88199 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.3 CCC(C)CO SC-08990 [2,0,0,0,0,0|1,0,1]=4 149 B5R0.3 CCC(N)CC SC-81736 [2,0,0,0,0,0|1,0,1]=4 150 B5R0.3 CCC(N)CO SC-21072 [2,0,0,0,0,0|0,0,1]=3 151 B5R0.3 CC\C(N)=N\O SC-28960 [2,0,0,0,0,0|1,0,1]=4 152 B5R0.3 NC(CO)CO SC-16669 [2,0,0,0,0,0|1,0,1]=4 153 B5R0.3 O=CC(O)CO SC-04830 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.3 [C@H](N)(CC)CO SC-08958 [2,0,0,0,0,0|0,0,1]=3 155 B5R0.5 CC(=O)C(=O)O SC-17382 [2,0,0,0,0,0|1,0,1]=4 156 B5R0.5 CC(=O)C(C)C SC-18478 [2,0,0,0,0,0|1,0,1]=4 157 B5R0.5 CC(=O)C(C)Cl SC-46981 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.5 CC(=O)C(C)S SC-17208 [2,0,0,0,0,0|2,0,0]=4 159 B5R0.5 CC(Br)C(N)=O SC-97497 [2,0,0,0,0,0|1,0,1]=4 160 B5R0.5 CC(C)B(O)O SC-66620 [2,0,0,0,0,0|2,0,0]=4 161 B5R0.5 CC(C)C(=N)N SC-13079 [2,0,0,0,0,0|1,0,1]=4 162 B5R0.5 CC(F)C(=O)O SC-83429 [2,0,0,0,0,0|1,0,0]=3 163 B5R0.5 CC(N)C(=O)O SC-09271 [2,0,0,0,0,0|0,0,0]=2 164 B5R0.5 CC(N)C(N)=O SC-94219 [2,0,0,0,0,0|1,0,0]=3 165 B5R0.5 CC(O)C(=O)[O-] SC-19308 [2,0,0,0,0,0|1,0,1]=4 166 B5R0.5 CC(O)C(=O)[O-] SC-25623 [2,0,0,0,0,0|1,0,1]=4 167 B5R0.5 CC(O)C(=O)[O-] SC-75139 [2,0,0,0,0,0|1,0,1]=4 168 B5R0.5 CC(O)C(C)O SC-08971 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.5 CC(O)C(C)O SC-08972 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.5 CC(O)C(C)O SC-81338 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.5 CC(S)C(=O)O SC-74563 [2,0,0,0,0,0|1,0,0]=3 172 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [2,0,0,0,0,0|1,0,0]=3 173 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [2,0,0,0,0,0|1,0,0]=3 174 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [2,0,0,0,0,0|0,0,0]=2 175 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [2,0,0,0,0,0|1,0,0]=3 176 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [2,0,0,0,0,0|1,0,1]=4 177 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [2,0,0,0,0,0|1,0,0]=3 178 B5R0.5 C[C@H](N)C(=O)O SC-09272 [2,0,0,0,0,0|0,0,0]=2 179 B5R0.5 C[C@H](N)C(N)=O SC-03542 [2,0,0,0,0,0|1,0,0]=3 180 B5R0.5 C[C@H](O)C(N)=O SC-73228 [2,0,0,0,0,0|1,0,1]=4 181 B5R0.5 O=C(O)C(Cl)Cl SC-18205 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.5 O=C(O)C(F)Br SC-49620 [2,0,0,0,0,0|2,0,0]=4 183 B5R0.5 O=C(O)C(F)F SC-25529 [2,0,0,0,0,0|2,0,0]=4 184 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [2,0,0,0,0,0|1,0,0]=3 185 B7R0.2 C=CC(=O)NC(C)C SC-47047 [1,1,0,0,0,0|2,0,0]=4 186 B7R0.2 CC(C)C[C@@H](N)CO SC-15764 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.2 CC(C)C[C@H](N)CO SC-08985 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.2 CC(C)NC(=O)CBr SC-02491 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.2 CCC(C)CC(=O)O SC-19132 [1,1,0,0,0,0|0,0,0]=2 190 B7R0.2 CCC(N)CC(=O)O SC-59260 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.2 CCC(O)CC(C)=O SC-92943 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.2 COC(=O)CC(=O)O SC-21351 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.2 COC(=O)CC(C)Br SC-67097 [1,1,0,0,0,0|1,0,0]=3 194 B7R0.2 COC(=O)C[C@@H](C)N SC-88822 [1,1,0,0,0,0|1,0,0]=3 195 B7R0.2 COC(=O)C[C@@H](C)N SC-A1096 [1,1,0,0,0,0|1,0,0]=3 196 B7R0.2 NCC(O)CC(=O)O SC-50844 [1,1,0,0,0,0|1,0,0]=3 197 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [1,1,0,0,0,0|1,0,0]=3 198 B7R0.9 CC(=O)CC(C)(C)S SC-82919 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.9 CC(=O)OC(C)(C)C SC-22684 [1,1,0,0,0,0|2,0,0]=4 200 B7R0.9 CC(C)(C)OC(N)=O SC-44399 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [1,1,0,0,0,0|0,0,0]=2 202 B7R0.9 CC(C)(O)CC(=O)[O-] SC-17999 [1,1,0,0,0,0|0,0,1]=3 203 B7R0.9 CC(C)CS(=O)(=O)Cl SC-51212 [1,1,0,0,0,0|1,0,1]=4 204 B7R0.9 CS(=O)(=O)CC(=O)O SC-23267 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.9 C[N+](C)(C)CC(=O)[O-] SC-11650 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.9 O=C(O)CC(F)(F)F SC-19589 [1,1,0,0,0,0|2,0,0]=4 207 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [1,1,0,0,0,0|0,0,1]=3 208 B7R0.5 C=CCC(N)C(=O)O SC-10030 [1,1,0,0,0,0|0,0,1]=3 209 B7R0.5 C=CCC(N)C(=O)O SC-10031 [1,1,0,0,0,0|0,0,1]=3 210 B7R0.5 C=CCC(N)C(=O)O SC-10032 [1,1,0,0,0,0|0,0,1]=3 211 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [1,1,0,0,0,0|0,0,1]=3 212 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [1,1,0,0,0,0|0,0,1]=3 213 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,1,0,0,0,0|1,0,0]=3 214 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,1,0,0,0,0|0,0,0]=2 215 B7R0.5 CCOC(=O)C(=O)O SC-26569 [1,1,0,0,0,0|1,0,1]=4 216 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [1,1,0,0,0,0|0,0,0]=2 217 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [1,1,0,0,0,0|0,0,0]=2 218 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [1,1,0,0,0,0|0,0,0]=2 219 B7R0.5 NC(CCO)C(=O)O SC-10290 [1,1,0,0,0,0|0,0,0]=2 220 B7R0.5 NCCC(N)C(=O)O SC-10146 [1,1,0,0,0,0|0,0,0]=2 221 B7R0.5 NCCC(N)C(=O)O SC-20723 [1,1,0,0,0,0|0,0,0]=2 222 B7R0.5 NCCC(N)C(=O)O SC-23452 [1,1,0,0,0,0|0,0,0]=2 223 B7R0.5 NCCC(N)C(=O)O SC-25055 [1,1,0,0,0,0|0,0,0]=2 224 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [1,1,0,0,0,0|0,0,0]=2 225 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [1,1,0,0,0,0|0,0,0]=2 226 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [1,1,0,0,0,0|0,0,0]=2 227 B7R0.10 CC(CN)[C@H](N)CO SC-54106 [1,1,0,0,0,0|0,0,1]=3 228 B7R0.10 CC[C@@H](O)C(=O)OC SC-49455 [1,1,0,0,0,0|1,0,0]=3 229 B7R0.10 CC[C@H](C)[C@H](N)CO SC-08984 [1,1,0,0,0,0|0,0,1]=3 230 B7R0.10 CC[C@H](N)C(=O)OC SC-33322 [1,1,0,0,0,0|0,0,0]=2 231 B7R0.10 CC[C@H](N)C(=O)OC SC-91370 [1,1,0,0,0,0|0,0,0]=2 232 B7R0.10 CNC(C)C(=O)OC SC-82127 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.10 CN[C@@H](C)C(=O)OC SC-84501 [1,1,0,0,0,0|2,0,0]=4 234 B7R0.10 COC(=O)C(Br)CO SC-87315 [1,1,0,0,0,0|2,0,0]=4 235 B7R0.10 COC(=O)C(Br)SC SC-83274 [1,1,0,0,0,0|2,0,0]=4 236 B7R0.10 COC(=O)C(C)CN SC-53925 [1,1,0,0,0,0|2,0,0]=4 237 B7R0.10 COC(=O)C(C)CO SC-08906 [1,1,0,0,0,0|2,0,0]=4 238 B7R0.10 COC(=O)C(C)CO SC-08907 [1,1,0,0,0,0|2,0,0]=4 239 B7R0.10 COC(=O)C(C)OC SC-92649 [1,1,0,0,0,0|2,0,0]=4 240 B7R0.10 COC(=O)C(Cl)CCl SC-48264 [1,1,0,0,0,0|2,0,0]=4 241 B7R0.10 COC(=O)C(N)CO SC-09862 [1,1,0,0,0,0|1,0,0]=3 242 B7R0.10 COC(=O)C(N)CO SC-51728 [1,1,0,0,0,0|1,0,0]=3 243 B7R0.10 COC(=O)[C@@H](C)CBr SC-08853 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.10 COC(=O)[C@@H](N)CS SC-22400 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.10 COC(=O)[C@@H](O)CO SC-44674 [1,1,0,0,0,0|2,0,0]=4 246 B7R0.10 COC(=O)[C@H](N)CCl SC-44813 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.10 COC(=O)[C@H](N)CO SC-21448 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.10 COC(=O)[C@H](N)CS SC-95830 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.13 CC(C)(CF)C(=O)O SC-91781 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.13 CCC(F)(F)C(=O)O SC-06365 [1,1,0,0,0,0|1,0,0]=3 251 B7R0.13 CC[C@](C)(N)C(=O)O SC-85117 [1,1,0,0,0,0|0,0,0]=2 252 B7R0.13 COC(C)(C)C(=O)O SC-49777 [1,1,0,0,0,0|2,0,0]=4 253 B7R0.13 C[C@@](N)(CS)C(=O)O SC-48129 [1,1,0,0,0,0|1,0,0]=3 254 B7R0.14 CC(C)(C)C(N)CO SC-92545 [1,1,0,0,0,0|0,0,1]=3 255 B7R0.14 [C@H](N)(CO)C(C)(C)C SC-26207 [1,1,0,0,0,0|0,0,1]=3 256 B7R0.15 CNC(CO)C(=O)O SC-26706 [1,1,0,0,0,0|1,0,0]=3 257 B7R0.15 O=C(O)C(CBr)CBr SC-16780 [1,1,0,0,0,0|2,0,0]=4 258 B7R0.15 O=C(O)C(CF)CF SC-41163 [1,1,0,0,0,0|2,0,0]=4 259 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [1,1,0,0,0,0|1,0,0]=3 260 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SC-24738 [0,1,0,0,0,1|1,0,1]=4 261 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-82208 [0,1,0,0,0,1|0,0,0]=2 262 B9R0.42 COC(=O)CC(=O)C(C)C SC-27474 [0,1,0,0,0,1|1,0,1]=4 263 B9R0.42 COC(=O)CC(N)C(=O)O SC-34732 [0,1,0,0,0,1|1,0,1]=4 264 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-09414 [0,1,0,0,0,1|1,0,1]=4 265 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-49628 [0,1,0,0,0,1|1,0,1]=4 266 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-20148 [0,1,0,0,0,1|0,0,0]=2 267 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-70362 [0,1,0,0,0,1|0,0,0]=2 268 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SC-52818 [0,1,0,0,0,1|0,0,0]=2 269 B9R0.79 CC(C)C(O)C(N)C(=O)O SC-48909 [0,1,0,0,0,1|0,0,0]=2 270 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O SC-A0972 [0,1,0,0,0,1|1,0,0]=3 271 B9R0.6 C=C(C(=O)OCC)C(C)C SC-A2178 [0,2,0,0,0,0|1,0,1]=4 272 B9R0.6 CCOC(=O)C(Br)C(C)C SC-15785 [0,2,0,0,0,0|1,0,0]=3 273 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C SC-82742 [0,2,0,0,0,0|0,0,0]=2 274 B9R0.27 COC(=O)C(N)C(=O)OC SC-16871 [0,2,0,0,0,0|1,0,1]=4 275 B9R0.41 CCC(CC)C(N)C(=O)O SC-59524 [0,2,0,0,0,0|0,0,0]=2 276 B7R1.2 CC1=CC(=O)OC1 SC-25541 [1,0,0,1,0,0|0,0,2]=4 277 B7R1.2 CC1CCC(=O)C1 SC-93748 [1,0,0,1,0,0|1,0,0]=3 278 B7R1.2 CC1CNC(=O)C1 SC-50248 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.2 CC1COC(=O)C1 SC-60836 [1,0,0,1,0,0|0,0,0]=2 280 B7R1.2 CC1COC(=O)O1 SC-65189 [1,0,0,1,0,0|1,0,0]=3 281 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [1,0,0,1,0,0|1,0,0]=3 282 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [1,0,0,1,0,0|1,0,0]=3 283 B7R1.2 NC1CNC(=O)C1 SC-66063 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.2 NC1COC(=O)C1 SC-34183 [1,0,0,1,0,0|1,0,0]=3 285 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [1,0,0,1,0,0|1,0,0]=3 287 B7R1.2 O=C1CC(O)CN1 SC-29049 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.2 O=C1COC(=O)C1 SC-86968 [1,0,0,1,0,0|1,0,1]=4 289 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [1,0,0,1,0,0|2,0,0]=4 290 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [1,0,0,1,0,0|2,0,0]=4 291 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [1,0,0,1,0,0|1,0,0]=3 292 B7R1.12 O=C(O)C1CC1F SC-85228 [1,0,0,1,0,0|1,0,0]=3 293 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [1,0,0,1,0,0|1,0,0]=3 294 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [1,0,0,1,0,0|1,0,0]=3 295 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [1,0,0,1,0,0|1,0,0]=3 296 B7R1.20 CC(=O)CC1CC1 SC-21396 [1,0,0,1,0,0|1,0,0]=3 297 B7R1.20 NC(=O)NC1CC1 SC-84633 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.20 O=C(O)CC1CC1 SC-13938 [1,0,0,1,0,0|0,0,0]=2 299 B7R1.4 C=C1CCOC1=O SC-19579 [1,0,0,1,0,0|1,0,1]=4 300 B7R1.4 CC1CCCC1=O SC-89605 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.4 CC1CCNC1=O SC-21672 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.4 CC1CCOC1=O SC-20996 [1,0,0,1,0,0|1,0,0]=3 303 B7R1.4 NC1CCCC1O SC-21764 [1,0,0,1,0,0|1,0,1]=4 304 B7R1.4 NC1CCNC1=O SC-13910 [1,0,0,1,0,0|1,0,0]=3 305 B7R1.4 NC1CCNC1=O SC-53072 [1,0,0,1,0,0|1,0,0]=3 306 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [1,0,0,1,0,0|1,0,0]=3 307 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [1,0,0,1,0,0|1,0,0]=3 308 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [1,0,0,1,0,0|0,0,0]=2 309 B7R1.4 N[C@@H]1COC[C@@H]1N SC-33569 [1,0,0,1,0,0|1,0,1]=4 310 B7R1.4 N[C@H]1CCC[C@@H]1O SC-27686 [1,0,0,1,0,0|1,0,1]=4 311 B7R1.4 N[C@H]1CCNC1=O SC-96457 [1,0,0,1,0,0|1,0,0]=3 312 B7R1.4 N[C@H]1CCOC1=O SC-01385 [1,0,0,1,0,0|0,0,0]=2 313 B7R1.4 N[C@H]1CCOC1=O SC-28113 [1,0,0,1,0,0|0,0,0]=2 314 B7R1.4 N[C@H]1COC[C@@H]1O SC-44041 [1,0,0,1,0,0|1,0,1]=4 315 B7R1.4 O=C1CCCC1Cl SC-21538 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.4 O=C1NCCC1O SC-26159 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.4 O=C1NCC[C@H]1O SC-87526 [1,0,0,1,0,0|2,0,0]=4 318 B7R1.4 O=C1OCCC1Br SC-15437 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.4 [C@@H]1(N)CCC[C@H]1O SC-16146 [1,0,0,1,0,0|1,0,1]=4 320 B7R1.4 [C@H]1(N)CCC[C@H]1O SC-25435 [1,0,0,1,0,0|1,0,1]=4 321 B7R1.18 CC(=O)C1CCC1 SC-74316 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [1,0,0,1,0,0|1,0,0]=3 323 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.18 O=C(O)C1CCC1 SC-17776 [1,0,0,1,0,0|1,0,0]=3 325 B7R1.18 O=C(O)C1CCO1 SC-22549 [1,0,0,1,0,0|1,0,0]=3 326 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [1,0,0,1,0,0|0,0,0]=2 327 B7R1.19 CC(=O)C1(F)CC1 SC-83098 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.19 CC1(C(=O)O)CC1 SC-21186 [1,0,0,1,0,0|1,0,0]=3 329 B7R1.19 CC1(C(=O)O)CO1 SC-A2140 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.19 NC1(C(=O)O)CC1 SC-11059 [1,0,0,1,0,0|0,0,0]=2 331 B7R1.19 NC1(C(=O)O)CC1 SC-21274 [1,0,0,1,0,0|0,0,0]=2 332 B7R1.19 O=C(O)C1(F)CC1 SC-49577 [1,0,0,1,0,0|1,0,0]=3 333 B7R1.19 O=C(O)C1(O)CC1 SC-19780 [1,0,0,1,0,0|1,0,0]=3 334 B7R1.22 N\C(=N/O)C1CC1 SC-23549 [1,0,0,1,0,0|1,0,1]=4 335 B9R1.35 CN1CCC(C(=O)O)C1 SC-38317 [0,0,0,1,0,1|2,0,0]=4 336 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,0,0,1,0,1|2,0,0]=4 337 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,0,0,1,0,1|2,0,0]=4 338 B9R1.35 NC1COC(C(=O)O)C1 SC-97560 [0,0,0,1,0,1|2,0,0]=4 339 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,0,0,1,0,1|2,0,0]=4 340 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,0,0,1,0,1|2,0,0]=4 341 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-48064 [0,0,0,1,0,1|2,0,0]=4 342 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,0,0,1,0,1|2,0,0]=4 343 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,0,0,1,0,1|2,0,0]=4 344 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,0,0,1,0,1|2,0,0]=4 345 B9R1.35 O=C(O)C1CC(O)CN1 SC-03594 [0,0,0,1,0,1|1,0,0]=3 346 B9R1.35 O=C(O)C1CC(O)CN1 SC-09592 [0,0,0,1,0,1|1,0,0]=3 347 B9R1.35 O=C(O)C1CC(O)CN1 SC-09594 [0,0,0,1,0,1|1,0,0]=3 348 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,0,0,1,0,1|2,0,0]=4 349 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SC-89720 [0,0,0,1,0,1|1,0,0]=3 350 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SC-09595 [0,0,0,1,0,1|1,0,0]=3 351 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-48740 [0,0,0,1,0,1|1,0,0]=3 352 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-52091 [0,0,0,1,0,1|1,0,1]=4 353 B9R1.35 [C@@H]1(C(C)C)COC(=O)N1 SC-07436 [0,0,0,1,0,1|1,0,0]=3 354 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 SC-01650 [0,0,0,1,0,1|1,0,0]=3 355 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11116 [0,0,0,1,0,1|1,0,0]=3 356 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [0,0,0,1,0,1|0,0,0]=2 357 B9R1.137 NC(CC(=O)O)C1CC1 SC-89968 [0,0,0,1,0,1|0,0,0]=2 358 B9R1.41 CN1CCC[C@H]1C(=O)O SC-21471 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.41 NC1CCCC1C(=O)O SC-A3650 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.110 NC(C(=O)O)C1CCC1 SC-94779 [0,1,0,1,0,0|0,0,0]=2 361 B9R1.138 CC1(C)COC(=O)C1=O SC-67142 [0,1,0,1,0,0|1,0,1]=4 362 B9R1.138 CC1(C)COC(=O)C1O SC-18425 [0,1,0,1,0,0|1,0,0]=3 363 B7R0.6 CC(=O)OCC(C)C SC-25600 [1,0,0,0,0,1|1,0,0]=3 364 B7R0.6 CC(C)CCC(=O)O SC-57917 [1,0,0,0,0,1|0,0,0]=2 365 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [1,0,0,0,0,1|1,0,1]=4 366 B7R0.6 CC(C)CNC(N)=S SC-88305 [1,0,0,0,0,1|1,1,0]=4 367 B7R0.6 CC(C)OCC(=O)O SC-88240 [1,0,0,0,0,1|0,0,0]=2 368 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [1,0,0,0,0,1|2,0,0]=4 369 B7R0.6 CN(C)CCC(=O)O SC-84721 [1,0,0,0,0,1|1,0,0]=3 370 B7R0.6 CN(C)CCC(=O)O SC-98010 [1,0,0,0,0,1|1,0,0]=3 371 B7R0.6 CN(C)CCC(N)=O SC-89196 [1,0,0,0,0,1|2,0,0]=4 372 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [1,0,0,0,0,1|1,0,0]=3 373 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,0,0,0,0,2|0,0,1]=3 374 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,0,0,0,0,2|0,0,0]=2 375 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,0,0,0,0,2|0,0,0]=2