0 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [0,0,0,0,0,0|0,0,1]=1 2 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.16 CN(C)C(=O)N(C)C SC-18367 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.2 CC(=O)NC(C)C SC-A3057 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.2 CC(=O)OC(C)C SC-25616 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.2 CC(=O)\C=C(\C)N SC-89382 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.2 CC(=O)\C=C(\C)O SC-20333 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.2 CC(=O)\C=C(\C)O SC-67757 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.2 CC(=O)\C=C(\C)[O-] SC-19412 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.2 CC(C)=CC(=O)O SC-16257 [1,0,0,0,0,0|0,0,1]=2 23 B6R0.2 CC(C)CB(O)O SC-06923 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.2 CN(C)CC(N)=O SC-89197 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.3 C=C(Br)C(=O)OC SC-86871 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.3 C=C(C#N)C(=O)O SC-66090 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.3 C=C(Cl)C(=O)OC SC-97454 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.3 C=C(F)C(=O)OC SC-44271 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.3 CC(C)C(=N)NO SC-29781 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.3 CC(C)C(=O)CBr SC-21776 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.3 CC(C)C(=O)NN SC-82184 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.3 CC(C)[C@@H](N)CO SC-04448 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.3 CC(C)[C@H](N)CO SC-02242 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.3 CC(CBr)C(=O)O SC-53016 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.3 CC(CN)C(=O)O SC-10095 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.3 CC(CN)C(=O)O SC-16443 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.3 CCC(F)C(=O)O SC-82839 [1,0,0,0,0,0|1,0,1]=3 44 B6R0.3 CCC(N)C(=O)O SC-25570 [1,0,0,0,0,0|1,0,1]=3 45 B6R0.3 CCC(N)C(N)=O SC-67619 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.3 CCC(S)C(=O)O SC-90417 [1,0,0,0,0,0|0,1,1]=3 47 B6R0.3 CCN(O)C(C)=O SC-69302 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.3 CC[C@@H](C)C(=O)O SC-92309 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.3 CC[C@@H](O)C(=O)O SC-53865 [1,0,0,0,0,0|0,0,2]=3 51 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.3 CC[C@H](N)C(N)=O SC-15825 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.3 CN(C)C(=O)CCl SC-25918 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.3 CN(C)C(=O)CN SC-26411 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.3 CN[C@H](C)C(=O)O SC-45134 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.3 COC(=O)C(=N)N SC-33258 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.3 COC(=O)C(=O)Cl SC-27409 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.3 COC(=O)C(C)=O SC-15233 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.3 COC(=O)C(C)Cl SC-18837 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.3 COC(=O)C(C)N SC-09296 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.3 COC(=O)C(C)N SC-54087 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.3 COC(=O)C(C)O SC-01713 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.3 COC(=O)[C@H](C)Cl SC-06555 [1,0,0,0,0,0|3,0,0]=4 64 B6R0.3 COC(=O)[C@H](C)N SC-09297 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.3 COC(C)C(=O)O SC-49776 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.3 CO[C@@H](C)C(=O)O SC-89341 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.3 CO[C@H](C)C(=O)O SC-A3340 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.3 C[C@@H](CN)C(=O)O SC-69436 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.3 C[C@H](CN)C(=O)O SC-90232 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.3 C[C@H](CN)C(=O)O SC-A1203 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.3 NC(CO)C(=O)O SC-09828 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.3 NC(CS)C(=O)O SC-16429 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.3 NCC(N)C(=O)O SC-12518 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.3 NCC(N)C(=O)O SC-26817 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.3 NCC(O)C(=O)O SC-10335 [1,0,0,0,0,0|1,0,2]=4 76 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.3 O=C(O)C(=O)CBr SC-15238 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.3 O=C(O)C(Br)CBr SC-26969 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.3 O=C(O)C(O)CCl SC-83865 [1,0,0,0,0,0|1,0,2]=4 83 B6R0.3 [C@@H](N)(CC)C(N)=O SC-49088 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.2 CCC(C)C(N)C(=O)O SC-09610 [0,1,0,0,0,0|1,0,1]=3 88 B8R0.2 CCC(C)C(N)C(N)=O SC-24873 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.2 COC(=O)C(Br)C(C)C SC-16269 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.2 COC(=O)C(N)C(C)O SC-09896 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O SC-67026 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O SC-83393 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC SC-22105 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.18 CC(C)[C@@H](CN)C(=O)O SC-A1205 [0,1,0,0,0,0|1,0,1]=3 95 B8R0.18 CC(C)[C@H](CN)C(=O)O SC-A1208 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.18 CC(C)[C@H](CN)C(=O)O SC-A1209 [0,1,0,0,0,0|1,0,1]=3 97 B8R0.27 C=C(C(=O)O)C(F)(F)F SC-16905 [0,1,0,0,0,0|3,0,0]=4 98 B8R0.27 CC(C)(C)C(=O)C(=O)O SC-75151 [0,1,0,0,0,0|0,0,0]=1 99 B8R0.27 CC(C)(C)C(N)C(=O)O SC-10341 [0,1,0,0,0,0|1,0,1]=3 100 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O SC-10342 [0,1,0,0,0,0|1,0,1]=3 101 B8R0.27 CC(C)(C)[C@H](N)C(=O)O SC-10343 [0,1,0,0,0,0|1,0,1]=3 102 B8R0.27 CC(C)(C)[C@H](N)C(N)=O SC-B0298 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.27 CC(C)(S)C(N)C(=O)O SC-11163 [0,1,0,0,0,0|1,0,1]=3 104 B8R1.50 C=C1CCN(C)C1=O SC-48828 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.50 CC1=C(O)C(=O)CC1 SC-74535 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.54 CC(Br)C(=O)C1CC1 SC-B7707 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.54 NC(C(=O)O)C1CC1 SC-45627 [0,0,0,1,0,0|1,0,1]=3 108 B8R1.54 N[C@H](C(=O)O)C1CC1 SC-20216 [0,0,0,1,0,0|1,0,1]=3 109 B8R1.54 O=C(O)C(=O)C1CC1 SC-49223 [0,0,0,1,0,0|0,0,0]=1 110 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,0,0,0,0,1|2,0,0]=3 111 B8R0.23 C=C(NC(C)=O)C(=O)O SC-48847 [0,0,0,0,0,1|2,0,1]=4 112 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,0,0,0,0,1|1,0,1]=3 113 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,0,0,0,0,1|1,0,1]=3 114 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,0,0,0,0,1|1,0,1]=3 115 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,0,0,0,0,1|1,0,1]=3 116 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,0,0,0,0,1|0,0,2]=3 117 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,0,0,0,0,1|2,0,1]=4 118 B8R0.23 CC(C)OC(=O)C(C)N SC-24251 [0,0,0,0,0,1|2,0,1]=4 119 B8R0.23 CC(C)OC(=O)[C@H](C)N SC-70925 [0,0,0,0,0,1|2,0,1]=4 120 B8R0.23 CN(C)C(=O)NC(=N)N SC-A3553 [0,0,0,0,0,1|3,0,0]=4 121 B5R0.1 CC#CC(=O)O SC-76460 [2,0,0,0,0,0|0,0,2]=4 122 B5R0.1 CC(C)=CC=O SC-00290 [2,0,0,0,0,0|0,0,1]=3 123 B5R0.1 CC(C)=CCO SC-77150 [2,0,0,0,0,0|0,0,2]=4 124 B5R0.1 CCCC(=O)Cl SC-18924 [2,0,0,0,0,0|1,0,1]=4 125 B5R0.1 CCCC(=O)[O-] SC-15718 [2,0,0,0,0,0|0,0,2]=4 126 B5R0.1 CCCC(N)=O SC-46377 [2,0,0,0,0,0|1,0,1]=4 127 B5R0.1 CCOC(N)=O SC-16133 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 CN(C)CC=O SC-51643 [2,0,0,0,0,0|1,0,1]=4 129 B5R0.1 CNCC(=O)O SC-10425 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.1 C\C=C/C(=O)O SC-25924 [2,0,0,0,0,0|0,0,1]=3 131 B5R0.1 C\C=C/C(C)=O SC-48085 [2,0,0,0,0,0|1,0,1]=4 132 B5R0.1 C\C=C\C(=O)Cl SC-16256 [2,0,0,0,0,0|1,0,1]=4 133 B5R0.1 NCCC(=O)O SC-10014 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.1 O=C(O)CCBr SC-18441 [2,0,0,0,0,0|1,0,1]=4 135 B5R0.1 O=C(O)CCS SC-22642 [2,0,0,0,0,0|1,0,1]=4 136 B5R0.3 CCC(=O)NN SC-25039 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.3 CC\C(N)=N\O SC-28960 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.3 COC(=O)CO SC-28291 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.3 O=C(CO)CO SC-07450 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.5 C=C(C)C(N)=O SC-74591 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.5 C=C(F)C(=O)O SC-47473 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.5 CC(=O)C(=O)O SC-17382 [2,0,0,0,0,0|0,0,0]=2 143 B5R0.5 CC(=O)C(=O)[O-] SC-17414 [2,0,0,0,0,0|0,0,1]=3 144 B5R0.5 CC(=O)C(C)C SC-18478 [2,0,0,0,0,0|0,0,1]=3 145 B5R0.5 CC(=O)C(C)Cl SC-46981 [2,0,0,0,0,0|1,0,1]=4 146 B5R0.5 CC(=O)C(C)S SC-17208 [2,0,0,0,0,0|1,0,1]=4 147 B5R0.5 CC(=O)N(C)C SC-54108 [2,0,0,0,0,0|1,0,1]=4 148 B5R0.5 CC(Br)C(N)=O SC-97497 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.5 CC(C)B(O)O SC-66620 [2,0,0,0,0,0|1,0,1]=4 150 B5R0.5 CC(C)C(=N)N SC-13079 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.5 CC(F)C(=O)O SC-83429 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.5 CC(N)C(=O)O SC-09271 [2,0,0,0,0,0|1,0,0]=3 153 B5R0.5 CC(N)C(N)=O SC-94219 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.5 CC(O)C(=O)[O-] SC-19308 [2,0,0,0,0,0|1,0,1]=4 155 B5R0.5 CC(O)C(=O)[O-] SC-25623 [2,0,0,0,0,0|1,0,1]=4 156 B5R0.5 CC(O)C(=O)[O-] SC-75139 [2,0,0,0,0,0|1,0,1]=4 157 B5R0.5 CC(S)C(=O)O SC-74563 [2,0,0,0,0,0|1,0,0]=3 158 B5R0.5 CN(C)C(=O)Cl SC-15201 [2,0,0,0,0,0|2,0,0]=4 159 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [2,0,0,0,0,0|1,0,0]=3 160 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [2,0,0,0,0,0|1,0,0]=3 161 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [2,0,0,0,0,0|1,0,0]=3 162 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [2,0,0,0,0,0|2,0,0]=4 164 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [2,0,0,0,0,0|1,0,0]=3 165 B5R0.5 C[C@H](N)C(=O)O SC-09272 [2,0,0,0,0,0|1,0,0]=3 166 B5R0.5 C[C@H](N)C(N)=O SC-03542 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.5 C[C@H](O)C(N)=O SC-73228 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.5 NC(=O)C(=O)[O-] SC-52623 [2,0,0,0,0,0|1,0,1]=4 169 B5R0.5 O=C(O)C(Cl)Cl SC-18205 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.5 O=C(O)C(F)Br SC-49620 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.5 O=C(O)C(F)F SC-25529 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.5 O=C([O-])C(=O)[O-] SC-18408 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.5 O=C([O-])C(=O)[O-] SC-20134 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.5 O=C([O-])C(=O)[O-] SC-74359 [2,0,0,0,0,0|1,0,1]=4 175 B5R0.5 O=C([O-])C(=O)[O-] SC-A2542 [2,0,0,0,0,0|1,0,1]=4 176 B5R0.5 [2H]C(=O)N(C)C SC-97589 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [2,0,0,0,0,0|1,0,0]=3 178 B7R0.2 C=CC(=O)NC(C)C SC-47047 [1,1,0,0,0,0|2,0,0]=4 179 B7R0.2 CC(C)NC(=O)CBr SC-02491 [1,1,0,0,0,0|2,0,0]=4 180 B7R0.2 CCC(C)CC(=O)O SC-19132 [1,1,0,0,0,0|0,0,1]=3 181 B7R0.2 CCC(N)CC(=O)O SC-59260 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.2 COC(=O)CC(C)Br SC-67097 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.2 COC(=O)C[C@@H](C)N SC-88822 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.2 COC(=O)C[C@@H](C)N SC-A1096 [1,1,0,0,0,0|1,0,1]=4 185 B7R0.2 C\C(C=O)=C/N(C)C SC-93331 [1,1,0,0,0,0|2,0,0]=4 186 B7R0.2 NCC(O)CC(=O)O SC-50844 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.9 CC(=O)CC(C)(C)S SC-82919 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.9 CC(=O)OC(C)(C)C SC-22684 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.9 CC(C)(C)OC(N)=O SC-44399 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [1,1,0,0,0,0|0,0,1]=3 192 B7R0.9 CC(C)(O)CC(=O)[O-] SC-17999 [1,1,0,0,0,0|0,0,2]=4 193 B7R0.5 CC(C)C(=O)CC#N SC-26894 [1,1,0,0,0,0|1,0,1]=4 194 B7R0.5 CC(C)C(=O)OCCl SC-92989 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,1,0,0,0,0|1,0,1]=4 197 B7R0.5 CCNC(=O)[C@H](C)O SC-12514 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.5 CCOC(=O)C(=N)N SC-32236 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.5 CCOC(=O)C(=O)Cl SC-26882 [1,1,0,0,0,0|1,0,0]=3 200 B7R0.5 CCOC(=O)C(=O)O SC-26569 [1,1,0,0,0,0|0,0,0]=2 201 B7R0.5 CCOC(=O)C(=O)[O-] SC-73549 [1,1,0,0,0,0|0,0,1]=3 202 B7R0.5 CCOC(=O)C(C)=O SC-15232 [1,1,0,0,0,0|1,0,0]=3 203 B7R0.5 CCOC(=O)C(N)=S SC-23134 [1,1,0,0,0,0|1,1,0]=4 204 B7R0.5 CCOC(=O)[C@@H](C)O SC-15791 [1,1,0,0,0,0|1,0,1]=4 205 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.5 NC(CCO)C(=O)O SC-10290 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.5 NCCC(N)C(=O)O SC-10146 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.5 NCCC(N)C(=O)O SC-20723 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.5 NCCC(N)C(=O)O SC-23452 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.5 NCCC(N)C(=O)O SC-25055 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [1,1,0,0,0,0|1,0,1]=4 215 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [1,1,0,0,0,0|1,0,1]=4 216 B7R0.10 C=C(CO)C(=O)OC SC-53992 [1,1,0,0,0,0|2,0,0]=4 217 B7R0.10 CC[C@@H](O)C(=O)OC SC-49455 [1,1,0,0,0,0|0,0,2]=4 218 B7R0.10 CC[C@H](N)C(=O)OC SC-33322 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.10 CC[C@H](N)C(=O)OC SC-91370 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.10 CNC(C)C(=O)OC SC-82127 [1,1,0,0,0,0|2,0,0]=4 221 B7R0.10 CN[C@@H](C)C(=O)OC SC-84501 [1,1,0,0,0,0|2,0,0]=4 222 B7R0.10 COC(=O)C(=O)CBr SC-15244 [1,1,0,0,0,0|1,0,0]=3 223 B7R0.10 COC(=O)C(C)CN SC-53925 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.10 COC(=O)C(C)CO SC-08906 [1,1,0,0,0,0|2,0,0]=4 225 B7R0.10 COC(=O)C(C)CO SC-08907 [1,1,0,0,0,0|2,0,0]=4 226 B7R0.10 COC(=O)C(C)OC SC-92649 [1,1,0,0,0,0|2,0,0]=4 227 B7R0.10 COC(=O)[C@@H](C)CBr SC-08853 [1,1,0,0,0,0|2,0,0]=4 228 B7R0.10 C\C=C(/Br)C(=O)OC SC-89362 [1,1,0,0,0,0|1,0,1]=4 229 B7R0.13 CCC(F)(F)C(=O)O SC-06365 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.13 CC[C@](C)(N)C(=O)O SC-85117 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.14 CC(C)(C)C(=O)CBr SC-15347 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.14 CC(C)(C)C(=O)CCl SC-26808 [1,1,0,0,0,0|1,0,1]=4 233 B7R0.14 CC(C)(C)C(=O)CN SC-14097 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.14 COC(=O)C(C)(C)Br SC-13472 [1,1,0,0,0,0|2,0,0]=4 235 B7R0.14 COC(=O)C(C)(C)F SC-27575 [1,1,0,0,0,0|2,0,0]=4 236 B7R0.14 COC(=O)C(C)(C)N SC-53222 [1,1,0,0,0,0|2,0,0]=4 237 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-82208 [0,1,0,0,0,1|1,0,1]=4 238 B9R0.42 COC(=O)CC(=O)C(C)C SC-27474 [0,1,0,0,0,1|0,0,0]=2 239 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-20148 [0,1,0,0,0,1|1,0,1]=4 240 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-70362 [0,1,0,0,0,1|1,0,1]=4 241 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SC-52818 [0,1,0,0,0,1|1,0,1]=4 242 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C SC-34034 [0,1,0,0,0,1|1,0,1]=4 243 B9R0.79 CC(C)C(O)C(N)C(=O)O SC-48909 [0,1,0,0,0,1|0,0,2]=4 244 B9R0.6 C=C(C(=O)OCC)C(C)C SC-A2178 [0,2,0,0,0,0|1,0,0]=3 245 B9R0.6 CCOC(=O)C(=O)C(C)Br SC-29142 [0,2,0,0,0,0|1,0,0]=3 246 B9R0.6 CCOC(=O)C(Br)C(C)C SC-15785 [0,2,0,0,0,0|1,0,1]=4 247 B9R0.25 COC(=O)C(=O)C(F)(F)F SC-48459 [0,2,0,0,0,0|2,0,0]=4 248 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C SC-82742 [0,2,0,0,0,0|1,0,1]=4 249 B9R0.27 COC(=O)C(=O)N(C)OC SC-33069 [0,2,0,0,0,0|1,0,0]=3 250 B9R0.41 CCC(CC)C(N)C(=O)O SC-59524 [0,2,0,0,0,0|1,0,1]=4 251 B7R1.2 CC1=CC(=O)CC1 SC-18727 [1,0,0,1,0,0|1,0,1]=4 252 B7R1.2 CC1=CC(=O)OC1 SC-25541 [1,0,0,1,0,0|0,0,1]=3 253 B7R1.2 CC1CCC(=O)C1 SC-93748 [1,0,0,1,0,0|1,0,1]=4 254 B7R1.2 CC1CNC(=O)C1 SC-50248 [1,0,0,1,0,0|1,0,1]=4 255 B7R1.2 CC1COC(=O)C1 SC-60836 [1,0,0,1,0,0|0,0,1]=3 256 B7R1.2 CC1COC(=O)O1 SC-65189 [1,0,0,1,0,0|1,0,0]=3 257 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [1,0,0,1,0,0|1,0,0]=3 258 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [1,0,0,1,0,0|1,0,0]=3 259 B7R1.2 NC1COC(=O)C1 SC-34183 [1,0,0,1,0,0|1,0,1]=4 260 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [1,0,0,1,0,0|1,0,1]=4 261 B7R1.2 O=C1C=C(O)CO1 SC-21646 [1,0,0,1,0,0|1,0,1]=4 262 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [1,0,0,1,0,0|1,0,1]=4 263 B7R1.12 O=C(O)C1CC1F SC-85228 [1,0,0,1,0,0|1,0,1]=4 264 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [1,0,0,1,0,0|1,0,1]=4 265 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [1,0,0,1,0,0|1,0,1]=4 266 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [1,0,0,1,0,0|1,0,1]=4 267 B7R1.20 CC(=O)CC1CC1 SC-21396 [1,0,0,1,0,0|1,0,1]=4 268 B7R1.20 NC(=O)NC1CC1 SC-84633 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.20 O=C(O)CC1CC1 SC-13938 [1,0,0,1,0,0|0,0,1]=3 270 B7R1.4 C=C1CCOC1=O SC-19579 [1,0,0,1,0,0|1,0,0]=3 271 B7R1.4 CC1=CCCC1=O SC-15856 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.4 CC1CCCC1=O SC-89605 [1,0,0,1,0,0|1,0,1]=4 273 B7R1.4 CC1CCNC1=O SC-21672 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.4 CC1CCOC1=O SC-20996 [1,0,0,1,0,0|1,0,1]=4 275 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [1,0,0,1,0,0|1,0,1]=4 276 B7R1.4 N[C@H]1CCOC1=O SC-01385 [1,0,0,1,0,0|1,0,1]=4 277 B7R1.4 N[C@H]1CCOC1=O SC-28113 [1,0,0,1,0,0|1,0,1]=4 278 B7R1.4 O=C1OCCC1Br SC-15437 [1,0,0,1,0,0|1,0,1]=4 279 B7R1.18 O=C(O)C1CCC1 SC-17776 [1,0,0,1,0,0|1,0,1]=4 280 B7R1.18 O=C(O)C1CCO1 SC-22549 [1,0,0,1,0,0|0,0,2]=4 281 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [1,0,0,1,0,0|1,0,1]=4 282 B7R1.19 CC1(C(=O)O)CC1 SC-21186 [1,0,0,1,0,0|1,0,1]=4 283 B7R1.19 NC1(C(=O)O)CC1 SC-11059 [1,0,0,1,0,0|1,0,1]=4 284 B7R1.19 NC1(C(=O)O)CC1 SC-21274 [1,0,0,1,0,0|1,0,1]=4 285 B7R1.19 O=C(O)C1(F)CC1 SC-49577 [1,0,0,1,0,0|1,0,1]=4 286 B7R1.19 O=C(O)C1(O)CC1 SC-19780 [1,0,0,1,0,0|0,0,2]=4 287 B7R1.22 COC(=O)C1CC1 SC-16131 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.22 NNC(=O)C1CC1 SC-B6986 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.22 N\C(=N/O)C1CC1 SC-23549 [1,0,0,1,0,0|2,0,0]=4 290 B7R1.22 O=C(CBr)C1CC1 SC-20322 [1,0,0,1,0,0|1,0,1]=4 291 B9R1.35 [C@@H]1(C(C)C)COC(=O)N1 SC-07436 [0,0,0,1,0,1|1,0,1]=4 292 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 SC-01650 [0,0,0,1,0,1|1,0,1]=4 293 B9R1.69 CN1CCC(=O)CC1=O SC-A3321 [0,0,0,1,0,1|2,0,0]=4 294 B9R1.69 NC1CCC(=O)NC1=O SC-52533 [0,0,0,1,0,1|2,0,0]=4 295 B9R1.69 NC1CCC(=O)NC1=O SC-72018 [0,0,0,1,0,1|2,0,0]=4 296 B9R1.69 NC1CCC(=O)NC1=O SC-85613 [0,0,0,1,0,1|2,0,0]=4 297 B9R1.69 N[C@@H]1CCC(=O)NC1=O SC-A2238 [0,0,0,1,0,1|2,0,0]=4 298 B9R1.69 N[C@H]1CCC(=O)NC1=O SC-A2241 [0,0,0,1,0,1|2,0,0]=4 299 B9R1.69 O=C1CCC(Br)C(=O)N1 SC-A3664 [0,0,0,1,0,1|2,0,0]=4 300 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11116 [0,0,0,1,0,1|1,0,1]=4 301 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [0,0,0,1,0,1|1,0,1]=4 302 B9R1.137 NC(CC(=O)O)C1CC1 SC-89968 [0,0,0,1,0,1|1,0,1]=4 303 B9R1.110 NC(C(=O)O)C1CCC1 SC-94779 [0,1,0,1,0,0|1,0,1]=4 304 B9R1.138 CC1(C)COC(=O)C1=O SC-67142 [0,1,0,1,0,0|0,0,0]=2 305 B9R1.138 CC1(C)COC(=O)C1O SC-18425 [0,1,0,1,0,0|0,0,2]=4 306 B7R0.6 CC(=O)OCC(C)C SC-25600 [1,0,0,0,0,1|1,0,1]=4 307 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [1,0,0,0,0,1|1,0,1]=4 308 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [1,0,0,0,0,1|2,0,0]=4 309 B7R0.6 CC(C)CCC(=O)O SC-57917 [1,0,0,0,0,1|0,0,1]=3 310 B7R0.6 CC(C)OCC(=O)O SC-88240 [1,0,0,0,0,1|0,0,1]=3 311 B7R0.6 CN(C)CCC(=O)O SC-84721 [1,0,0,0,0,1|1,0,1]=4 312 B7R0.6 CN(C)CCC(=O)O SC-98010 [1,0,0,0,0,1|1,0,1]=4 313 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [1,0,0,0,0,1|1,0,1]=4 314 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,0,0,0,0,2|1,0,1]=4 315 B9R0.7 CC(Cl)C(=O)NCC(=O)O SC-73815 [0,0,0,0,0,2|1,0,0]=3 316 B9R0.7 CC(S)C(=O)NCC(=O)O SC-26620 [0,0,0,0,0,2|1,0,0]=3 317 B9R0.53 CC(=O)CC(=O)OC(C)C SC-18510 [0,0,0,0,0,2|1,0,0]=3 318 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,0,0,0,0,2|1,0,1]=4