0 B7R0.16 CC(=O)C(C)C(C)=O CS-0095844 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.16 CC(=O)C(N)C(C)=O CS-0216785 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.16 CC(C(=O)O)C(=O)O CS-0027817 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.16 CC(C)C(=O)C(=O)O CS-W006057 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.16 CC(C)C(Br)C(=O)O CS-0498321 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.16 CC(C)C(C)C(=O)O CS-0138076 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.16 CC(C)C(Cl)C(=O)O CS-0343571 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.16 CC(C)C(N)C(=O)O CS-W013605 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.16 CC(C)C(O)C(=O)O CS-W008150 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.16 CC(C)[C@@H](Br)C(=O)O CS-W017175 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.16 CC(C)[C@@H](N)C(=O)O CS-0010218 [0,0,0,0,0,0|0,0,0]=0 11 B7R0.16 CC(C)[C@@H](N)C(N)=O CS-W002589 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.16 CC(C)[C@H](Cl)C(=O)O CS-0198767 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.16 CC(C)[C@H](N)C(=O)O CS-W020706 [0,0,0,0,0,0|0,0,0]=0 15 B7R0.16 CC(C)[C@H](N)C(N)=O CS-W008135 [0,0,0,0,0,0|1,0,0]=1 16 B7R0.16 CC(C)[C@H](O)C(=O)O CS-0000171 [0,0,0,0,0,0|1,0,0]=1 17 B7R0.16 CC(O)C(C)C(=O)O CS-0116129 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0158278 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CS-W001959 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-W020046 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O CS-W021072 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.16 C[C@H](C(=O)O)N(C)C CS-0158218 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CS-W013590 [0,0,0,0,0,0|1,0,0]=1 24 B7R0.16 NC(=O)C(N)C(N)=O CS-M1513 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.16 O=C(O)C(O)C(=O)O CS-W013581 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O CS-W008315 [0,0,0,0,0,0|1,0,0]=1 27 B6R0.2 CC(=O)CC(N)=O CS-0134202 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.2 CC(=O)CN(C)C CS-0204530 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.2 CC(=O)NC(C)C CS-M3536 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.2 CC(=O)OC(C)Br CS-0135277 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.2 CC(C)=CC(=O)O CS-W011327 [1,0,0,0,0,0|0,0,2]=3 33 B6R0.2 CC(C)CB(O)O CS-W000978 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.2 CC(C)CC(=O)O CS-0881782 [1,0,0,0,0,0|0,0,0]=1 35 B6R0.2 CC(C)CC(=O)O CS-W013696 [1,0,0,0,0,0|0,0,0]=1 36 B6R0.2 CC(C)CC(N)=S CS-0642935 [1,0,0,0,0,0|1,1,0]=3 37 B6R0.2 CC(C)C[C@H](C)O CS-0237477 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.2 CC(C)NC(N)=O CS-0162822 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.2 CC(C)OC(=S)[S-] CS-0154170 [1,0,0,0,0,0|1,2,0]=4 40 B6R0.2 CC(C)OC(N)=O CS-0119929 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.2 CC(N)CC(=O)O CS-W009549 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.2 CC(O)CC(=O)O CS-0062335 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.2 CC(O)CC(C)O CS-0377993 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.2 CC(O)CC(N)=O CS-0435186 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.2 CN(C)CC(=O)O CS-D1391 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.2 CN(C)CC(=O)O CS-W001158 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.2 CN(C)CC(N)=S CS-W021439 [1,0,0,0,0,0|2,1,0]=4 48 B6R0.2 C[C@@H](O)CN(C)C CS-0138530 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.2 C[C@@H](O)C[C@@H](C)O CS-0085737 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.2 C[C@H](O)C[C@H](C)O CS-0085738 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.2 C\C(Cl)=C/C(=O)O CS-0834363 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.2 C\C(Cl)=C\C(=O)O CS-0834361 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.2 NC(=O)CC(=O)O CS-0149950 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [1,0,0,0,0,0|1,0,0]=2 60 B6R0.3 C#CC(O)C(C)C CS-0207469 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.3 C(C)=C(/C)C(=O)O CS-W009553 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.3 C=C(CBr)C(=O)O CS-W017896 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.3 C=CC(C)C(=O)O CS-0006592 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.3 C=C[C@@H](C)[C@@H](C)O CS-0368397 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.3 C=C[C@@H](N)C(=O)O CS-0131608 [1,0,0,0,0,0|0,0,2]=3 66 B6R0.3 C=C[C@H](C)[C@H](C)O CS-0368404 [1,0,0,0,0,0|3,0,0]=4 67 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [1,0,0,0,0,0|0,0,2]=3 68 B6R0.3 CC(C#N)C(=O)O CS-0139286 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.3 CC(C)C(=N)NO CS-0008651 [1,0,0,0,0,0|1,0,2]=4 70 B6R0.3 CC(C)C(=N)NO CS-W011311 [1,0,0,0,0,0|1,0,2]=4 71 B6R0.3 CC(C)C(N)C#N CS-0255764 [1,0,0,0,0,0|1,0,1]=3 72 B6R0.3 CC(C)C(N)CO CS-W004906 [1,0,0,0,0,0|0,0,1]=2 73 B6R0.3 CC(C)C(O)CN CS-0129685 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.3 CC(C)[C@@H](N)CO CS-D0610 [1,0,0,0,0,0|0,0,1]=2 75 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [1,0,0,0,0,0|0,0,1]=2 76 B6R0.3 CC(CBr)C(=O)O CS-W016048 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.3 CC(CN)C(=O)O CS-W013690 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.3 CCC(=O)C(=O)O CS-W007926 [1,0,0,0,0,0|1,0,1]=3 79 B6R0.3 CCC(=O)C(C)=O CS-W013714 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.3 CCC(Br)C(N)=O CS-0152635 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.3 CCC(C)B(O)O CS-W011315 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.3 CCC(N)C(=O)O CS-W011306 [1,0,0,0,0,0|0,0,0]=1 83 B6R0.3 CCC(N)C(N)=O CS-0197483 [1,0,0,0,0,0|1,0,0]=2 84 B6R0.3 CCC(O)C(N)=O CS-0232591 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [1,0,0,0,0,0|1,0,0]=2 86 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [1,0,0,0,0,0|0,0,0]=1 88 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [1,0,0,0,0,0|1,0,0]=2 89 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [1,0,0,0,0,0|1,0,0]=2 90 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [1,0,0,0,0,0|1,0,0]=2 91 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [1,0,0,0,0,0|1,0,0]=2 92 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [1,0,0,0,0,0|0,0,0]=1 93 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [1,0,0,0,0,0|1,0,0]=2 94 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [1,0,0,0,0,0|1,0,0]=2 95 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183871 [1,0,0,0,0,0|1,0,1]=3 96 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [1,0,0,0,0,0|1,0,0]=2 97 B6R0.3 CNC(=O)C(=O)O CS-0113142 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.3 CNC(C)C(=O)O CS-W011307 [1,0,0,0,0,0|2,0,0]=3 99 B6R0.3 CNC(C)C(C)C CS-W000156 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.3 COC(C)C(=O)O CS-W004806 [1,0,0,0,0,0|2,0,0]=3 102 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [1,0,0,0,0,0|2,0,0]=3 103 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [1,0,0,0,0,0|2,0,0]=3 104 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.3 C\C=C(/C)C(=O)O CS-0356606 [1,0,0,0,0,0|1,0,2]=4 108 B6R0.3 C\C=C(/C)C(=O)O CS-W013715 [1,0,0,0,0,0|1,0,2]=4 109 B6R0.3 N#CC(N)C(N)=O CS-0016863 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.3 NC(=O)[C@@H](N)CO CS-W008254 [1,0,0,0,0,0|2,0,0]=3 112 B6R0.3 NC(=O)[C@H](N)CO CS-0158516 [1,0,0,0,0,0|2,0,0]=3 113 B6R0.3 NC(CO)C(=O)O CS-0015292 [1,0,0,0,0,0|1,0,0]=2 114 B6R0.3 NC(CS)C(=O)O CS-0201576 [1,0,0,0,0,0|1,0,0]=2 115 B6R0.3 NC(CS)C(=O)O CS-W013566 [1,0,0,0,0,0|1,0,0]=2 116 B6R0.3 NC(CS)C(=O)O CS-W014367 [1,0,0,0,0,0|1,0,0]=2 117 B6R0.3 NC(CS)C(=O)O CS-W017432 [1,0,0,0,0,0|1,0,0]=2 118 B6R0.3 NCC(F)C(=O)O CS-W011291 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.3 NCC(N)C(=O)O CS-0130703 [1,0,0,0,0,0|1,0,0]=2 120 B6R0.3 NCC(N)C(=O)O CS-W014390 [1,0,0,0,0,0|1,0,0]=2 121 B6R0.3 NCC(O)C(=O)O CS-W013682 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [1,0,0,0,0,0|1,0,0]=2 123 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [1,0,0,0,0,0|1,0,0]=2 124 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [1,0,0,0,0,0|1,0,0]=2 126 B6R0.3 N[C@@H](CCl)C(=O)O CS-7792 [1,0,0,0,0,0|1,0,0]=2 127 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [1,0,0,0,0,0|1,0,0]=2 128 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [1,0,0,0,0,0|1,0,0]=2 129 B6R0.3 N[C@@H](CS)C(=O)O CS-W009027 [1,0,0,0,0,0|1,0,0]=2 130 B6R0.3 N[C@@H](CS)C(=O)O CS-W017431 [1,0,0,0,0,0|1,0,0]=2 131 B6R0.3 N[C@@H](CS)C(=O)O CS-W018517 [1,0,0,0,0,0|1,0,0]=2 132 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [1,0,0,0,0,0|1,0,0]=2 133 B6R0.3 N[C@H](CCl)C(=O)O CS-W016173 [1,0,0,0,0,0|1,0,0]=2 134 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [1,0,0,0,0,0|1,0,0]=2 135 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [1,0,0,0,0,0|1,0,0]=2 136 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [1,0,0,0,0,0|1,0,0]=2 137 B6R0.3 O=C(O)C(=O)CBr CS-5517 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.3 O=C(O)C(O)CCl CS-0186802 [1,0,0,0,0,0|2,0,0]=3 139 B6R0.3 O=C(O)C(O)CO CS-W018821 [1,0,0,0,0,0|2,0,0]=3 140 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.3 [C@@H](C)(O)[C@@H](N)CO CS-W008521 [1,0,0,0,0,0|1,0,1]=3 142 B6R0.3 [C@H](C)(O)[C@H](N)CO CS-W013681 [1,0,0,0,0,0|1,0,1]=3 143 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [1,0,0,0,0,0|0,0,0]=1 145 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [1,0,0,0,0,0|2,0,0]=3 146 B8R0.2 CC(C)C(=O)C(=O)O[Na] CS-0128729 [0,1,0,0,0,0|1,0,1]=3 147 B8R0.2 CCC(C)C(N)C(=O)O CS-1225312 [0,1,0,0,0,0|0,0,0]=1 148 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CS-0011133 [0,1,0,0,0,0|0,0,0]=1 149 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CS-W009266 [0,1,0,0,0,0|0,0,0]=1 150 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CS-W013422 [0,1,0,0,0,0|0,0,0]=1 151 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CS-W018502 [0,1,0,0,0,0|0,0,0]=1 152 B8R0.2 COC(=O)C(C)C(=O)O CS-0072824 [0,1,0,0,0,0|2,0,1]=4 153 B8R0.2 COC(=O)C(C)C(C)=O CS-M0095 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.2 COC(=O)C(Cl)C(C)=O CS-W018135 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.2 COC(=O)C(N)C(C)C CS-W013235 [0,1,0,0,0,0|0,0,0]=1 156 B8R0.2 COC(=O)C(N)C(C)O CS-0169073 [0,1,0,0,0,0|1,0,0]=2 157 B8R0.2 COC(=O)C(O)C(C)C CS-0254529 [0,1,0,0,0,0|1,0,0]=2 158 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CS-W008086 [0,1,0,0,0,0|1,0,0]=2 159 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CS-0147192 [0,1,0,0,0,0|1,0,0]=2 160 B8R0.2 COC(=O)[C@@H](O)C(C)C CS-0186193 [0,1,0,0,0,0|1,0,0]=2 161 B8R0.2 COC(=O)[C@H](N)C(C)C CS-0012693 [0,1,0,0,0,0|0,0,0]=1 162 B8R0.2 COC(=O)[C@H](N)[C@H](C)O CS-0147184 [0,1,0,0,0,0|1,0,0]=2 163 B8R0.2 COC(=O)[C@H](O)C(C)C CS-0160105 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O CS-0043555 [0,1,0,0,0,0|0,0,0]=1 165 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CS-0064614 [0,1,0,0,0,0|2,0,0]=3 166 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO CS-0140508 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC CS-W008464 [0,1,0,0,0,0|0,0,0]=1 168 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C CS-W010793 [0,1,0,0,0,0|0,0,0]=1 169 B8R0.18 CC(C)=C(C#N)C(=O)O CS-0313147 [0,1,0,0,0,0|0,0,3]=4 170 B8R0.18 CC(C)[C@@H](CN)C(=O)O CS-0095544 [0,1,0,0,0,0|0,0,0]=1 171 B8R0.18 CC(C)[C@@H](CN)C(=O)O CS-0143434 [0,1,0,0,0,0|0,0,0]=1 172 B8R0.18 CC(C)[C@H](CN)C(=O)O CS-0061014 [0,1,0,0,0,0|0,0,0]=1 173 B8R0.18 CC(C)[C@H](CN)C(=O)O CS-0143436 [0,1,0,0,0,0|0,0,0]=1 174 B8R0.18 CN[C@@H](C(=O)O)C(C)C CS-0010220 [0,1,0,0,0,0|0,0,0]=1 175 B8R0.18 CN[C@H](C(=O)O)C(C)C CS-0010219 [0,1,0,0,0,0|0,0,0]=1 176 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CS-W011082 [0,1,0,0,0,0|1,0,0]=2 177 B8R0.27 CC(C(=O)O)C(F)(F)F CS-W006158 [0,1,0,0,0,0|3,0,0]=4 178 B8R0.27 CC(C)(C)C(=O)C(=O)O CS-W005305 [0,1,0,0,0,0|1,0,1]=3 179 B8R0.27 CC(C)(C)C(N)C(=O)O CS-W002302 [0,1,0,0,0,0|0,0,0]=1 180 B8R0.27 CC(C)(C)C(O)C(=O)O CS-0378432 [0,1,0,0,0,0|1,0,0]=2 181 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CS-W001954 [0,1,0,0,0,0|0,0,0]=1 182 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O CS-0436719 [0,1,0,0,0,0|1,0,0]=2 183 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CS-D0917 [0,1,0,0,0,0|0,0,0]=1 184 B8R0.27 CC(C)(C)[C@H](N)C(N)=O CS-0619018 [0,1,0,0,0,0|1,0,0]=2 185 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O CS-0036468 [0,1,0,0,0,0|0,0,0]=1 186 B8R0.27 CC(C)(O)[C@H](N)C(=O)O CS-W006998 [0,1,0,0,0,0|0,0,0]=1 187 B8R0.27 CC(C)(S)C(N)C(=O)O CS-W018173 [0,1,0,0,0,0|0,0,0]=1 188 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CS-2334 [0,1,0,0,0,0|0,0,0]=1 189 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CS-0063723 [0,1,0,0,0,0|0,0,0]=1 190 B8R0.27 NC(C(=O)O)C(F)(F)F CS-0059723 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.27 NC(C(=O)O)C(F)(F)F CS-W018267 [0,1,0,0,0,0|2,0,0]=3 192 B8R0.27 O=C(O)C(O)C(F)(F)F CS-0112294 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.27 O=C(O)[C@@H](O)C(F)(F)F CS-0135746 [0,1,0,0,0,0|3,0,0]=4 194 B8R0.27 O=C(O)[C@H](O)C(F)(F)F CS-0099999 [0,1,0,0,0,0|3,0,0]=4 195 B8R0.37 CC(C)C(C)(N)C(=O)O CS-0154330 [0,1,0,0,0,0|0,0,0]=1 196 B8R0.37 CC(C)C(C)(N)C(N)=O CS-0019531 [0,1,0,0,0,0|1,0,0]=2 197 B8R0.37 CC(C)[C@@](C)(N)C(=O)O CS-W011102 [0,1,0,0,0,0|0,0,0]=1 198 B8R0.37 CN(C)C(C)(C)C(=O)O CS-0166674 [0,1,0,0,0,0|2,0,0]=3 199 B8R1.50 CC1CCC(=O)C1=O CS-W011271 [0,0,0,1,0,0|2,0,1]=4 200 B8R1.50 O=C1COC(=O)C1Cl CS-0155475 [0,0,0,1,0,0|2,0,1]=4 201 B8R1.50 O=C1OC[C@@H](O)[C@H]1O CS-0157912 [0,0,0,1,0,0|2,0,0]=3 202 B8R1.54 N[C@@H](C(=O)O)C1CC1 CS-0054153 [0,0,0,1,0,0|0,0,0]=1 203 B8R1.54 N[C@H](C(=O)O)C1CC1 CS-W005759 [0,0,0,1,0,0|0,0,0]=1 204 B8R1.54 O=C(O)C(=O)C1CC1 CS-W006124 [0,0,0,1,0,0|1,0,1]=3 205 B8R1.54 O=C(O)C(O)C1CC1 CS-0142965 [0,0,0,1,0,0|1,0,0]=2 206 B8R1.77 CC1(C)CC1C(=O)O CS-W005115 [0,0,0,1,0,0|1,0,0]=2 207 B8R1.77 CC1(C)C[C@@H]1C(N)=O CS-W013652 [0,0,0,1,0,0|2,0,0]=3 208 B8R1.77 O=C(O)C1CC1(F)F CS-B1034 [0,0,0,1,0,0|3,0,0]=4 209 B8R1.77 O=C(O)[C@@H]1CC1(F)F CS-0053586 [0,0,0,1,0,0|3,0,0]=4 210 B8R0.23 C=C(CC(C)C)C(C)=O CS-0132337 [0,0,0,0,0,1|2,0,1]=4 211 B8R0.23 C=C(CN(C)C)C(=O)O CS-0168545 [0,0,0,0,0,1|2,0,1]=4 212 B8R0.23 CC(=O)C(=O)OC(C)C CS-M0668 [0,0,0,0,0,1|2,0,1]=4 213 B8R0.23 CC(=O)NC(C)C(=O)O CS-W011105 [0,0,0,0,0,1|2,0,1]=4 214 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CS-W004066 [0,0,0,0,0,1|2,0,1]=4 215 B8R0.23 CC(=O)N[C@H](C)C(=O)O CS-W013429 [0,0,0,0,0,1|2,0,1]=4 216 B8R0.23 CC(=O)O[C@@H](C)C(=O)O CS-B0056 [0,0,0,0,0,1|2,0,1]=4 217 B8R0.23 CC(=O)O[C@H](C)C(=O)O CS-B0055 [0,0,0,0,0,1|2,0,1]=4 218 B8R0.23 CC(C)C(N)CC(=O)O CS-W013424 [0,0,0,0,0,1|0,0,0]=1 219 B8R0.23 CC(C)CC(=O)C(=O)O CS-W013438 [0,0,0,0,0,1|1,0,1]=3 220 B8R0.23 CC(C)CC(Br)C(=O)O CS-W021616 [0,0,0,0,0,1|1,0,0]=2 221 B8R0.23 CC(C)CC(N)C(=O)O CS-W020700 [0,0,0,0,0,1|0,0,0]=1 222 B8R0.23 CC(C)CC(N)C(N)=O CS-0154067 [0,0,0,0,0,1|1,0,0]=2 223 B8R0.23 CC(C)C[C@@H](N)C(=O)O CS-D1369 [0,0,0,0,0,1|0,0,0]=1 224 B8R0.23 CC(C)C[C@@H](N)C(N)=O CS-0169320 [0,0,0,0,0,1|1,0,0]=2 225 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,0,0,0,0,1|1,0,0]=2 226 B8R0.23 CC(C)C[C@H](N)C(=O)O CS-W020705 [0,0,0,0,0,1|0,0,0]=1 227 B8R0.23 CC(C)C[C@H](N)C(N)=O CS-0128410 [0,0,0,0,0,1|1,0,0]=2 228 B8R0.23 CC(C)C[C@H](O)C(=O)O CS-0000169 [0,0,0,0,0,1|1,0,0]=2 229 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [0,0,0,0,0,1|0,0,0]=1 230 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0039103 [0,0,0,0,0,1|0,0,0]=1 231 B8R0.23 CS(=O)C[C@H](N)C(=O)O CS-W018120 [0,0,0,0,0,1|2,0,0]=3 232 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CS-0201887 [0,0,0,0,0,1|1,0,0]=2 233 B8R0.23 NC(=O)CC(N)C(=O)O CS-0188414 [0,0,0,0,0,1|2,0,1]=4 234 B8R0.23 NC(=O)CC(N)C(=O)O CS-W018158 [0,0,0,0,0,1|2,0,1]=4 235 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W011094 [0,0,0,0,0,1|2,0,1]=4 236 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W018160 [0,0,0,0,0,1|2,0,1]=4 237 B8R0.23 NC(=O)C[C@H](N)C(=O)O CS-0009702 [0,0,0,0,0,1|2,0,1]=4 238 B8R0.23 NC(=O)[C@H](N)CC(=O)O CS-0449242 [0,0,0,0,0,1|2,0,1]=4 239 B8R0.23 NC(CC(=O)O)C(=O)O CS-W016540 [0,0,0,0,0,1|2,0,1]=4 240 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CS-0009701 [0,0,0,0,0,1|2,0,1]=4 241 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] CS-0021584 [0,0,0,0,0,1|2,0,1]=4 242 B8R0.23 N[C@@H](CC(F)F)C(=O)O CS-0134027 [0,0,0,0,0,1|2,0,0]=3 243 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CS-0020450 [0,0,0,0,0,1|3,0,0]=4 244 B8R0.23 N[C@H](CC(=O)O)C(=O)O CS-0020434 [0,0,0,0,0,1|2,0,1]=4 245 B8R0.23 [C@H](N)(CC(=O)O)C(C)C CS-W005787 [0,0,0,0,0,1|0,0,0]=1 246 B5R0.1 C#CCC(=O)O CS-W004784 [2,0,0,0,0,0|0,0,2]=4 247 B5R0.1 C=CCC(=O)O CS-0069849 [2,0,0,0,0,0|0,0,2]=4 248 B5R0.1 C=CC[C@H](C)O CS-0081915 [2,0,0,0,0,0|2,0,0]=4 249 B5R0.1 CC#CC(=O)O CS-W007936 [2,0,0,0,0,0|0,0,2]=4 250 B5R0.1 CC(=O)CCCl CS-W022162 [2,0,0,0,0,0|2,0,0]=4 251 B5R0.1 CC(=O)CCN CS-0209803 [2,0,0,0,0,0|2,0,0]=4 252 B5R0.1 CC(C)CNN CS-0067938 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.1 CC(C)CON CS-0136014 [2,0,0,0,0,0|2,0,0]=4 254 B5R0.1 CC(C)\C=N\O CS-W000111 [2,0,0,0,0,0|1,0,1]=4 255 B5R0.1 CC(N)CCO CS-W004841 [2,0,0,0,0,0|1,0,1]=4 256 B5R0.1 CC(O)CCO CS-0115644 [2,0,0,0,0,0|1,0,1]=4 257 B5R0.1 CCCB(O)O CS-W007470 [2,0,0,0,0,0|1,0,1]=4 258 B5R0.1 CCCC(=N)N CS-W013544 [2,0,0,0,0,0|2,0,0]=4 259 B5R0.1 CCCC(=O)O CS-0977378 [2,0,0,0,0,0|0,0,0]=2 260 B5R0.1 CCCC(N)=O CS-0130522 [2,0,0,0,0,0|1,0,0]=3 261 B5R0.1 CCNC(N)=O CS-W011351 [2,0,0,0,0,0|2,0,0]=4 262 B5R0.1 CCOC(N)=O CS-4731 [2,0,0,0,0,0|2,0,0]=4 263 B5R0.1 CN(C)NC=O CS-M2144 [2,0,0,0,0,0|2,0,0]=4 264 B5R0.1 CNCC(=O)O CS-W013507 [2,0,0,0,0,0|1,0,0]=3 265 B5R0.1 CNCC(=O)O CS-W018511 [2,0,0,0,0,0|1,0,0]=3 266 B5R0.1 CNCC(N)=O CS-W011178 [2,0,0,0,0,0|2,0,0]=4 267 B5R0.1 COCC(=O)O CS-W020123 [2,0,0,0,0,0|1,0,0]=3 268 B5R0.1 CSCC(=O)O CS-0015159 [2,0,0,0,0,0|1,0,0]=3 269 B5R0.1 CSCC(N)=O CS-0150088 [2,0,0,0,0,0|2,0,0]=4 270 B5R0.1 C[C@@H](N)CCO CS-W013746 [2,0,0,0,0,0|1,0,1]=4 271 B5R0.1 C[C@@H](O)CCO CS-M1638 [2,0,0,0,0,0|1,0,1]=4 272 B5R0.1 C[C@H](N)CCO CS-W019851 [2,0,0,0,0,0|1,0,1]=4 273 B5R0.1 C[C@H](O)CCO CS-W016671 [2,0,0,0,0,0|1,0,1]=4 274 B5R0.1 C\C=C\C(=O)O CS-0017976 [2,0,0,0,0,0|0,0,2]=4 275 B5R0.1 N=C(O)CCN CS-W007497 [2,0,0,0,0,0|2,0,0]=4 276 B5R0.1 NC(=O)CCBr CS-0046169 [2,0,0,0,0,0|2,0,0]=4 277 B5R0.1 NC(=O)CCCl CS-0204808 [2,0,0,0,0,0|2,0,0]=4 278 B5R0.1 NC(=O)CCO CS-0205185 [2,0,0,0,0,0|2,0,0]=4 279 B5R0.1 NCCC(=O)O CS-0668359 [2,0,0,0,0,0|1,0,0]=3 280 B5R0.1 NCCC(=O)O CS-W020126 [2,0,0,0,0,0|1,0,0]=3 281 B5R0.1 NCCS(=O)O CS-6985 [2,0,0,0,0,0|2,0,0]=4 282 B5R0.1 NOCC(=O)O CS-8158 [2,0,0,0,0,0|2,0,0]=4 283 B5R0.1 O=C(O)CCF CS-0038385 [2,0,0,0,0,0|1,0,0]=3 284 B5R0.1 O=C(O)CCI CS-0204563 [2,0,0,0,0,0|1,0,0]=3 285 B5R0.1 O=C(O)CCO CS-0147832 [2,0,0,0,0,0|1,0,0]=3 286 B5R0.3 C=C[C@@H](N)CO CS-0089925 [2,0,0,0,0,0|2,0,0]=4 287 B5R0.3 C=C[C@H](N)CO CS-0088065 [2,0,0,0,0,0|2,0,0]=4 288 B5R0.3 CCC(N)C#N CS-0197521 [2,0,0,0,0,0|1,0,1]=4 289 B5R0.3 CCC(N)CC CS-0128806 [2,0,0,0,0,0|1,0,1]=4 290 B5R0.3 CC[C@@H](N)CO CS-W020734 [2,0,0,0,0,0|0,0,1]=3 291 B5R0.3 CC[C@H](C)CO CS-0139702 [2,0,0,0,0,0|1,0,1]=4 292 B5R0.3 CC[C@H](N)CO CS-W013745 [2,0,0,0,0,0|0,0,1]=3 293 B5R0.3 CC[C@H](O)CO CS-0031373 [2,0,0,0,0,0|1,0,1]=4 294 B5R0.3 NC(CO)CO CS-W007357 [2,0,0,0,0,0|1,0,1]=4 295 B5R0.3 NC(CO)CO CS-W011141 [2,0,0,0,0,0|1,0,1]=4 296 B5R0.3 O=CC(O)CO CS-0102543 [2,0,0,0,0,0|2,0,0]=4 297 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [2,0,0,0,0,0|1,0,1]=4 298 B5R0.5 CC(=O)C(=O)O CS-W020190 [2,0,0,0,0,0|1,0,1]=4 299 B5R0.5 CC(=O)C(C)Br CS-0130132 [2,0,0,0,0,0|2,0,0]=4 300 B5R0.5 CC(=O)C(C)N CS-0105630 [2,0,0,0,0,0|1,0,0]=3 301 B5R0.5 CC(=O)[13C](=O)O CS-0514226 [2,0,0,0,0,0|1,0,1]=4 302 B5R0.5 CC(=O)[C@H](C)N CS-0197276 [2,0,0,0,0,0|1,0,0]=3 303 B5R0.5 CC(Br)C(N)=O CS-0139914 [2,0,0,0,0,0|1,0,1]=4 304 B5R0.5 CC(C)B(O)O CS-W004088 [2,0,0,0,0,0|2,0,0]=4 305 B5R0.5 CC(C)C(=N)N CS-0120122 [2,0,0,0,0,0|1,0,1]=4 306 B5R0.5 CC(C)C(N)=O CS-W019979 [2,0,0,0,0,0|0,0,1]=3 307 B5R0.5 CC(F)C(=O)O CS-0180920 [2,0,0,0,0,0|1,0,0]=3 308 B5R0.5 CC(N)C(=O)O CS-0022544 [2,0,0,0,0,0|0,0,0]=2 309 B5R0.5 CC(N)C(C)O CS-0217255 [2,0,0,0,0,0|1,0,1]=4 310 B5R0.5 CC(N)C(N)=O CS-0186552 [2,0,0,0,0,0|1,0,0]=3 311 B5R0.5 CC(O)C(=O)O CS-0013338 [2,0,0,0,0,0|1,0,0]=3 312 B5R0.5 CC(O)C(=O)O CS-0031116 [2,0,0,0,0,0|1,0,0]=3 313 B5R0.5 CC(O)C(=O)O CS-0310546 [2,0,0,0,0,0|1,0,0]=3 314 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [2,0,0,0,0,0|1,0,1]=4 315 B5R0.5 CC(O)C(C)O CS-0099502 [2,0,0,0,0,0|2,0,0]=4 316 B5R0.5 CC(O)C(N)=O CS-0068194 [2,0,0,0,0,0|1,0,1]=4 317 B5R0.5 CN(C)C(N)=O CS-0132397 [2,0,0,0,0,0|1,0,1]=4 318 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [2,0,0,0,0,0|1,0,0]=3 319 B5R0.5 C[C@@H](F)C(N)=O CS-0637276 [2,0,0,0,0,0|1,0,1]=4 320 B5R0.5 C[C@@H](N)C(=O)O CS-W020127 [2,0,0,0,0,0|0,0,0]=2 321 B5R0.5 C[C@@H](N)C(N)=O CS-W005248 [2,0,0,0,0,0|1,0,0]=3 322 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [2,0,0,0,0,0|1,0,0]=3 323 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [2,0,0,0,0,0|1,0,1]=4 324 B5R0.5 C[C@@H](O)[C@@H](C)O CS-W016670 [2,0,0,0,0,0|2,0,0]=4 325 B5R0.5 C[C@H](Cl)C(=O)O CS-0020146 [2,0,0,0,0,0|1,0,0]=3 326 B5R0.5 C[C@H](F)C(N)=O CS-0637032 [2,0,0,0,0,0|1,0,1]=4 327 B5R0.5 C[C@H](N)C(=O)O CS-W020002 [2,0,0,0,0,0|0,0,0]=2 328 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [2,0,0,0,0,0|1,0,0]=3 329 B5R0.5 C[C@H](N)C(N)=O CS-0119942 [2,0,0,0,0,0|1,0,0]=3 330 B5R0.5 C[C@H](N)C(N)=O CS-0539407 [2,0,0,0,0,0|1,0,0]=3 331 B5R0.5 C[C@H](O)C(=O)O CS-0015266 [2,0,0,0,0,0|1,0,0]=3 332 B5R0.5 C[C@H](O)C(N)=O CS-0330478 [2,0,0,0,0,0|1,0,1]=4 333 B5R0.5 C[C@H](O)[C@@H](C)O CS-0545500 [2,0,0,0,0,0|2,0,0]=4 334 B5R0.5 C[C@H](O)[C@H](C)O CS-0106462 [2,0,0,0,0,0|2,0,0]=4 335 B5R0.5 NC(=O)C(=O)O CS-W013748 [2,0,0,0,0,0|1,0,1]=4 336 B5R0.5 NC(O)C(=O)O CS-0380752 [2,0,0,0,0,0|1,0,0]=3 337 B5R0.5 O=C(O)C(F)Cl CS-0204955 [2,0,0,0,0,0|2,0,0]=4 338 B5R0.5 O=C(O)[C@H](F)Cl CS-0434926 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.5 [C@@H](C)(N)C(=O)O CS-0044074 [2,0,0,0,0,0|0,0,0]=2 340 B7R0.2 C=CC(=O)NC(C)C CS-0891513 [1,1,0,0,0,0|2,0,0]=4 341 B7R0.2 C=CC(=O)NC(C)C CS-W011259 [1,1,0,0,0,0|2,0,0]=4 342 B7R0.2 CC(C)CC(=O)NN CS-0343165 [1,1,0,0,0,0|1,0,0]=3 343 B7R0.2 CC(C)CC(N)CO CS-W021562 [1,1,0,0,0,0|1,0,1]=4 344 B7R0.2 CC(C)CC(O)C#N CS-0359248 [1,1,0,0,0,0|1,0,1]=4 345 B7R0.2 CC(C)C[C@H](N)CO CS-W016592 [1,1,0,0,0,0|1,0,1]=4 346 B7R0.2 CC(C)NC(=O)CCl CS-0128417 [1,1,0,0,0,0|2,0,0]=4 347 B7R0.2 CC(C)OC(=O)CN CS-0154172 [1,1,0,0,0,0|2,0,0]=4 348 B7R0.2 CC(O)CC(=O)O[Na] CS-W011168 [1,1,0,0,0,0|1,0,0]=3 349 B7R0.2 CCC(C)CC(=O)O CS-W011229 [1,1,0,0,0,0|0,0,0]=2 350 B7R0.2 CCC(N)CC(=O)O CS-W021843 [1,1,0,0,0,0|1,0,0]=3 351 B7R0.2 CCN(C)CC(=O)O CS-0144155 [1,1,0,0,0,0|1,0,0]=3 352 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [1,1,0,0,0,0|0,0,0]=2 353 B7R0.2 CN(C)CC(=O)NN CS-0199445 [1,1,0,0,0,0|2,0,0]=4 354 B7R0.2 CN(C)CC(=O)NN CS-0206604 [1,1,0,0,0,0|2,0,0]=4 355 B7R0.2 CNC(=O)CC(=O)O CS-0139438 [1,1,0,0,0,0|1,0,1]=4 356 B7R0.2 COC(=O)CC(=O)O CS-W007829 [1,1,0,0,0,0|1,0,1]=4 357 B7R0.2 COC(=O)CC(C)N CS-0147336 [1,1,0,0,0,0|1,0,0]=3 358 B7R0.2 COC(=O)C[C@@H](C)N CS-0003933 [1,1,0,0,0,0|1,0,0]=3 359 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [1,1,0,0,0,0|1,0,0]=3 360 B7R0.2 COC(=O)C[C@H](C)N CS-0147334 [1,1,0,0,0,0|1,0,0]=3 361 B7R0.2 C[C@@H](O)CC(=O)O[Na] CS-W016567 [1,1,0,0,0,0|1,0,0]=3 362 B7R0.2 N[C@@H](CO)CC(=O)O CS-W006063 [1,1,0,0,0,0|1,0,0]=3 363 B7R0.2 N[C@H](CO)CC(=O)O CS-W021172 [1,1,0,0,0,0|1,0,0]=3 364 B7R0.2 [C@@H](C)(O)CC(=O)OC CS-W013601 [1,1,0,0,0,0|1,0,0]=3 365 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [1,1,0,0,0,0|1,0,0]=3 366 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [1,1,0,0,0,0|1,0,1]=4 367 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [1,1,0,0,0,0|1,0,0]=3 368 B7R0.9 CC(C)(C)CB(O)O CS-0063198 [1,1,0,0,0,0|1,0,1]=4 369 B7R0.9 CC(C)(C)NC(N)=O CS-0329615 [1,1,0,0,0,0|2,0,0]=4 370 B7R0.9 CC(C)(C)OC(N)=O CS-D1170 [1,1,0,0,0,0|2,0,0]=4 371 B7R0.9 CC(C)(N)CC(=O)O CS-W003906 [1,1,0,0,0,0|0,0,0]=2 372 B7R0.9 CC(C)(N)CC(=O)O CS-W004865 [1,1,0,0,0,0|0,0,0]=2 373 B7R0.9 CC(C)(N)CC(N)=O CS-0181808 [1,1,0,0,0,0|1,0,0]=3 374 B7R0.9 CC(C)(O)CC(=O)O CS-0059394 [1,1,0,0,0,0|0,0,0]=2 375 B7R0.9 CC(C)(O)CC(=O)[O-] CS-0187335 [1,1,0,0,0,0|0,0,1]=3 376 B7R0.9 CS(=O)(=O)CC(=O)O CS-W004723 [1,1,0,0,0,0|2,0,0]=4 377 B7R0.9 C[N+](C)(C)CC(=O)[O-] CS-2947 [1,1,0,0,0,0|1,0,1]=4 378 B7R0.9 C[N+](C)(C)CC(=O)[O-] CS-W011064 [1,1,0,0,0,0|1,0,1]=4 379 B7R0.9 O=C(O)CC(F)(F)F CS-0051640 [1,1,0,0,0,0|2,0,0]=4 380 B7R0.5 C#CCC(N)C(=O)O CS-W020864 [1,1,0,0,0,0|0,0,1]=3 381 B7R0.5 C#CC[C@@H](N)C(=O)O CS-W006437 [1,1,0,0,0,0|0,0,1]=3 382 B7R0.5 C#CC[C@H](N)C(=O)O CS-0101207 [1,1,0,0,0,0|0,0,1]=3 383 B7R0.5 C#CC[C@H](N)C(=O)O CS-W006064 [1,1,0,0,0,0|0,0,1]=3 384 B7R0.5 C=CCC(C)C(=O)O CS-W013638 [1,1,0,0,0,0|1,0,1]=4 385 B7R0.5 C=CCC(N)C(=O)O CS-0060001 [1,1,0,0,0,0|0,0,1]=3 386 B7R0.5 C=CC[C@H](N)C(=O)O CS-W013622 [1,1,0,0,0,0|0,0,1]=3 387 B7R0.5 C=CC[C@H](N)C(=O)O CS-W016311 [1,1,0,0,0,0|0,0,1]=3 388 B7R0.5 CCCC(C)C(=O)O CS-W011232 [1,1,0,0,0,0|1,0,0]=3 389 B7R0.5 CCCC(N)C(=O)O CS-W011226 [1,1,0,0,0,0|0,0,0]=2 390 B7R0.5 CCC[C@@H](N)C(=O)O CS-0015963 [1,1,0,0,0,0|0,0,0]=2 391 B7R0.5 CCC[C@H](N)C(=O)O CS-D1371 [1,1,0,0,0,0|0,0,0]=2 392 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [1,1,0,0,0,0|1,0,0]=3 393 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [1,1,0,0,0,0|1,0,1]=4 394 B7R0.5 CC\C=C(/C)C(=O)O CS-0031404 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.5 CC\C=C(/C)C(=O)O CS-W011249 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.5 CNC[C@H](N)C(=O)O CS-W016262 [1,1,0,0,0,0|0,0,0]=2 397 B7R0.5 CNC[C@H](O)C(=O)O CS-1135890 [1,1,0,0,0,0|1,0,0]=3 398 B7R0.5 COCC(Br)C(=O)O CS-0197352 [1,1,0,0,0,0|1,0,0]=3 399 B7R0.5 COCC(N)C(=O)O CS-W013587 [1,1,0,0,0,0|0,0,0]=2 400 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [1,1,0,0,0,0|0,0,0]=2 401 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [1,1,0,0,0,0|0,0,0]=2 402 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [1,1,0,0,0,0|0,0,0]=2 403 B7R0.5 COC[C@H](N)C(=O)O CS-W006151 [1,1,0,0,0,0|0,0,0]=2 404 B7R0.5 CSCC(N)C(=O)O CS-0071070 [1,1,0,0,0,0|0,0,0]=2 405 B7R0.5 CSC[C@@H](N)C(=O)O CS-0804731 [1,1,0,0,0,0|0,0,0]=2 406 B7R0.5 CSC[C@H](N)C(=O)O CS-7653 [1,1,0,0,0,0|0,0,0]=2 407 B7R0.5 C[Se]C[C@H](N)C(=O)O CS-0080570 [1,1,0,0,0,0|0,0,0]=2 408 B7R0.5 N#CC[C@H](N)C(=O)O CS-0099303 [1,1,0,0,0,0|0,0,1]=3 409 B7R0.5 NC(CCO)C(=O)O CS-W013586 [1,1,0,0,0,0|0,0,0]=2 410 B7R0.5 NC(CCS)C(=O)O CS-W021561 [1,1,0,0,0,0|0,0,0]=2 411 B7R0.5 NCCC(F)C(=O)O CS-0094454 [1,1,0,0,0,0|1,0,0]=3 412 B7R0.5 NCCC(N)C(=O)O CS-W010735 [1,1,0,0,0,0|0,0,0]=2 413 B7R0.5 NCC[C@H](N)C(=O)O CS-0169369 [1,1,0,0,0,0|0,0,0]=2 414 B7R0.5 NCC[C@H](N)C(=O)O CS-6314 [1,1,0,0,0,0|0,0,0]=2 415 B7R0.5 NCC[C@H](O)C(=O)O CS-W002667 [1,1,0,0,0,0|1,0,0]=3 416 B7R0.5 N[C@@H](CCO)C(=O)O CS-W002292 [1,1,0,0,0,0|0,0,0]=2 417 B7R0.5 N[C@@H](CCS)C(=O)O CS-W011063 [1,1,0,0,0,0|0,0,0]=2 418 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [1,1,0,0,0,0|0,0,0]=2 419 B7R0.5 [C@@H](N)(CC=C)C(=O)O CS-W013623 [1,1,0,0,0,0|0,0,1]=3 420 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [1,1,0,0,0,0|0,0,0]=2 421 B7R0.10 CCC(=O)C(=O)O[Na] CS-W005355 [1,1,0,0,0,0|1,0,1]=4 422 B7R0.10 CCC(N)C(=O)OC CS-W018067 [1,1,0,0,0,0|0,0,0]=2 423 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [1,1,0,0,0,0|0,0,0]=2 424 B7R0.10 CC[C@@H](O)C(=O)OC CS-0099841 [1,1,0,0,0,0|1,0,0]=3 425 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [1,1,0,0,0,0|0,0,0]=2 426 B7R0.10 CC[C@H](O)C(=O)OC CS-0138542 [1,1,0,0,0,0|1,0,0]=3 427 B7R0.10 CN[C@@H](C)C(=O)OC CS-0068182 [1,1,0,0,0,0|2,0,0]=4 428 B7R0.10 COC(=O)C(Br)CO CS-0187469 [1,1,0,0,0,0|2,0,0]=4 429 B7R0.10 COC(=O)C(C)CN CS-0253549 [1,1,0,0,0,0|2,0,0]=4 430 B7R0.10 COC(=O)C(C)CO CS-0697290 [1,1,0,0,0,0|2,0,0]=4 431 B7R0.10 COC(=O)C(Cl)OC CS-0698983 [1,1,0,0,0,0|2,0,0]=4 432 B7R0.10 COC(=O)C(N)CO CS-W014338 [1,1,0,0,0,0|1,0,0]=3 433 B7R0.10 COC(=O)C(N)CS CS-0150913 [1,1,0,0,0,0|1,0,0]=3 434 B7R0.10 COC(=O)C(O)CN CS-0042395 [1,1,0,0,0,0|2,0,0]=4 435 B7R0.10 COC(=O)C(O)CO CS-0454216 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.10 COC(=O)[C@@H](C)CBr CS-0130400 [1,1,0,0,0,0|2,0,0]=4 437 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [1,1,0,0,0,0|2,0,0]=4 438 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [1,1,0,0,0,0|1,0,0]=3 439 B7R0.10 COC(=O)[C@@H](N)CS CS-4557 [1,1,0,0,0,0|1,0,0]=3 440 B7R0.10 COC(=O)[C@@H](O)CN CS-0131698 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.10 COC(=O)[C@@H](O)CO CS-W000794 [1,1,0,0,0,0|2,0,0]=4 442 B7R0.10 COC(=O)[C@H](C)CBr CS-0158189 [1,1,0,0,0,0|2,0,0]=4 443 B7R0.10 COC(=O)[C@H](C)CO CS-0019967 [1,1,0,0,0,0|2,0,0]=4 444 B7R0.10 COC(=O)[C@H](N)CCl CS-W017536 [1,1,0,0,0,0|1,0,0]=3 445 B7R0.10 COC(=O)[C@H](N)CS CS-W020211 [1,1,0,0,0,0|1,0,0]=3 446 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [1,1,0,0,0,0|2,0,0]=4 447 B7R0.10 NC(CO)C(=O)NO CS-0142371 [1,1,0,0,0,0|1,0,0]=3 448 B7R0.10 NNC(=O)C(N)CO CS-0149906 [1,1,0,0,0,0|2,0,0]=4 449 B7R0.10 O=C[C@H](O)[C@H](O)CO CS-0066906 [1,1,0,0,0,0|2,0,0]=4 450 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [1,1,0,0,0,0|1,0,0]=3 451 B7R0.10 [C@H](C)(CC)[C@H](N)CO CS-W016591 [1,1,0,0,0,0|0,0,1]=3 452 B7R0.13 CC(C)(CCl)C(=O)O CS-0140560 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.13 CC(C)(CF)C(=O)O CS-W005928 [1,1,0,0,0,0|2,0,0]=4 454 B7R0.13 CC(C)(CN)C(=O)O CS-0107300 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.13 CC(C)(CO)C(=O)O CS-W011224 [1,1,0,0,0,0|2,0,0]=4 456 B7R0.13 CCC(C)(C)C(=O)O CS-W016597 [1,1,0,0,0,0|1,0,0]=3 457 B7R0.13 CCC(C)(O)C(=O)O CS-W016590 [1,1,0,0,0,0|1,0,0]=3 458 B7R0.13 CC[C@@](C)(N)C(=O)O CS-W008544 [1,1,0,0,0,0|0,0,0]=2 459 B7R0.13 CC[C@](C)(N)C(=O)O CS-0433358 [1,1,0,0,0,0|0,0,0]=2 460 B7R0.13 CC[C@](C)(N)C(=O)O CS-W020180 [1,1,0,0,0,0|0,0,0]=2 461 B7R0.13 CNC(C)(C)C(=O)O CS-0142453 [1,1,0,0,0,0|2,0,0]=4 462 B7R0.13 COC(C)(C)C(=O)O CS-0046912 [1,1,0,0,0,0|2,0,0]=4 463 B7R0.13 C[C@@](N)(CO)C(=O)O CS-0136603 [1,1,0,0,0,0|1,0,0]=3 464 B7R0.13 C[C@@](N)(CS)C(=O)O CS-0308069 [1,1,0,0,0,0|1,0,0]=3 465 B7R0.13 C[C@@](O)(CBr)C(=O)O CS-W017072 [1,1,0,0,0,0|2,0,0]=4 466 B7R0.13 C[C@](N)(CO)C(=O)O CS-W008467 [1,1,0,0,0,0|1,0,0]=3 467 B7R0.13 C[C@](O)(CBr)C(=O)O CS-W019154 [1,1,0,0,0,0|2,0,0]=4 468 B7R0.13 NCC(F)(F)C(=O)O CS-W000458 [1,1,0,0,0,0|2,0,0]=4 469 B7R0.14 CC(C)(C)C(N)C#N CS-0213611 [1,1,0,0,0,0|1,0,1]=4 470 B7R0.14 CC(C)(C)C(N)CO CS-0072424 [1,1,0,0,0,0|0,0,1]=3 471 B7R0.14 CCC(C)S(=O)(=O)O CS-0864131 [1,1,0,0,0,0|2,0,0]=4 472 B7R0.14 [C@@H](N)(CO)C(C)(C)C CS-W005274 [1,1,0,0,0,0|0,0,1]=3 473 B7R0.14 [C@H](N)(CO)C(C)(C)C CS-W008332 [1,1,0,0,0,0|0,0,1]=3 474 B7R0.15 CC(C)C(CN)CO CS-0144311 [1,1,0,0,0,0|0,0,1]=3 475 B7R0.15 CCC(CC)C(=O)[O-] CS-0152606 [1,1,0,0,0,0|1,0,1]=4 476 B7R0.15 CCC(CC)C(C)=O CS-0149235 [1,1,0,0,0,0|2,0,0]=4 477 B7R0.15 CCC(CC)C(N)=O CS-0214584 [1,1,0,0,0,0|2,0,0]=4 478 B7R0.15 O=C(O)C(CBr)CBr CS-0003905 [1,1,0,0,0,0|2,0,0]=4 479 B7R0.15 [C@@H](CO)(NC)C(=O)O CS-W013588 [1,1,0,0,0,0|1,0,0]=3 480 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O CS-0145791 [0,1,0,0,0,1|0,0,0]=2 481 B9R0.10 NC(CC(=O)O)C(F)(F)F CS-0132235 [0,1,0,0,0,1|2,0,0]=4 482 B9R0.10 N[C@@H](CC(=O)O)C(F)(F)F CS-0102137 [0,1,0,0,0,1|2,0,0]=4 483 B9R0.23 CC(C)CC(=O)C(=O)O[Na] CS-W018103 [0,1,0,0,0,1|1,0,1]=4 484 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CS-W017140 [0,1,0,0,0,1|0,0,0]=2 485 B9R0.23 CNC(=O)C(N)CC(C)C CS-0273991 [0,1,0,0,0,1|1,0,0]=3 486 B9R0.23 COC(=O)C(Br)CC(C)C CS-0465894 [0,1,0,0,0,1|1,0,0]=3 487 B9R0.23 COC(=O)C(N)CC(=O)O CS-0101210 [0,1,0,0,0,1|1,0,1]=4 488 B9R0.23 COC(=O)C(N)CC(C)C CS-0213107 [0,1,0,0,0,1|0,0,0]=2 489 B9R0.23 COC(=O)C(O)CC(C)C CS-0033017 [0,1,0,0,0,1|1,0,0]=3 490 B9R0.23 COC(=O)[C@@H](N)CC(=O)O CS-W018215 [0,1,0,0,0,1|1,0,1]=4 491 B9R0.23 COC(=O)[C@H](N)CC(=O)O CS-0128336 [0,1,0,0,0,1|1,0,1]=4 492 B9R0.23 COC(=O)[C@H](N)CC(C)C CS-W017141 [0,1,0,0,0,1|0,0,0]=2 493 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC CS-W017143 [0,1,0,0,0,1|0,0,0]=2 494 B9R0.39 CC(C)C[C@@H](CN)C(=O)O CS-0196969 [0,1,0,0,0,1|0,0,0]=2 495 B9R0.39 CC(C)C[C@H](CN)C(=O)O CS-0061018 [0,1,0,0,0,1|0,0,0]=2 496 B9R0.39 CC(C)C[C@H](CN)C(=O)O CS-0095469 [0,1,0,0,0,1|0,0,0]=2 497 B9R0.39 CC(C)\C=C(/C#N)C(=O)O CS-0161344 [0,1,0,0,0,1|0,0,2]=4 498 B9R0.39 CNC(CC(C)C)C(=O)O CS-0154250 [0,1,0,0,0,1|0,0,0]=2 499 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CS-0186185 [0,1,0,0,0,1|0,0,0]=2 500 B9R0.39 CN[C@H](CC(C)C)C(=O)O CS-0572808 [0,1,0,0,0,1|0,0,0]=2 501 B9R0.39 [C@@H](CC(C)C)(NC)C(=O)O CS-W008140 [0,1,0,0,0,1|0,0,0]=2 502 B9R0.42 CCC(=O)OC(Cl)C(C)C CS-0152640 [0,1,0,0,0,1|2,0,0]=4 503 B9R0.42 CNC(=O)CC(N)C(=O)O CS-0151055 [0,1,0,0,0,1|1,0,1]=4 504 B9R0.42 CNC(=O)C[C@H](N)C(=O)O CS-0151060 [0,1,0,0,0,1|1,0,1]=4 505 B9R0.42 COC(=O)CC(=O)C(C)C CS-0015396 [0,1,0,0,0,1|1,0,1]=4 506 B9R0.42 COC(=O)CC(N)C(=O)O CS-0079863 [0,1,0,0,0,1|1,0,1]=4 507 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CS-0135221 [0,1,0,0,0,1|1,0,1]=4 508 B9R0.42 COC(=O)C[C@@H](N)C(C)C CS-0171929 [0,1,0,0,0,1|0,0,0]=2 509 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0019407 [0,1,0,0,0,1|1,0,1]=4 510 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0131131 [0,1,0,0,0,1|1,0,1]=4 511 B9R0.42 COC(=O)C[C@H](N)C(C)C CS-0171932 [0,1,0,0,0,1|0,0,0]=2 512 B9R0.57 CC(C)(C)CC(N)C(=O)O CS-0171694 [0,1,0,0,0,1|0,0,0]=2 513 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O CS-0011700 [0,1,0,0,0,1|0,0,0]=2 514 B9R0.57 CC(C)(C)NC(=O)C(=O)O CS-0314242 [0,1,0,0,0,1|1,0,1]=4 515 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O CS-D0232 [0,1,0,0,0,1|0,0,0]=2 516 B9R0.57 NC(CC(F)(F)F)C(=O)O CS-0028378 [0,1,0,0,0,1|2,0,0]=4 517 B9R0.57 NC(CC(F)(F)F)C(=O)O CS-0307936 [0,1,0,0,0,1|2,0,0]=4 518 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O CS-W010987 [0,1,0,0,0,1|1,0,0]=3 519 B9R0.6 CCOC(=O)C(=O)C(C)C CS-0151907 [0,2,0,0,0,0|1,0,1]=4 520 B9R0.6 CCOC(=O)C(Br)C(C)Br CS-0181787 [0,2,0,0,0,0|2,0,0]=4 521 B9R0.6 CCOC(=O)C(N)C(C)C CS-0151896 [0,2,0,0,0,0|0,0,0]=2 522 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CS-W008384 [0,2,0,0,0,0|0,0,0]=2 523 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O CS-W021073 [0,2,0,0,0,0|1,0,0]=3 524 B9R0.6 CCOC(=O)[C@H](N)C(C)C CS-0151924 [0,2,0,0,0,0|0,0,0]=2 525 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C CS-M2950 [0,2,0,0,0,0|1,0,0]=3 526 B9R0.25 COC(=O)C(N)C(C)(C)C CS-0698958 [0,2,0,0,0,0|0,0,0]=2 527 B9R0.25 COC(=O)C(N)C(C)(C)O CS-0217477 [0,2,0,0,0,0|0,0,0]=2 528 B9R0.25 COC(=O)C(N)C(F)(F)F CS-0042768 [0,2,0,0,0,0|2,0,0]=4 529 B9R0.25 COC(=O)C(O)C(C)(C)C CS-0311804 [0,2,0,0,0,0|1,0,0]=3 530 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C CS-0008693 [0,2,0,0,0,0|0,0,0]=2 531 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C CS-M1884 [0,2,0,0,0,0|0,0,0]=2 532 B9R0.27 CCC(C)C(=O)C(=O)O[Na] CS-W018102 [0,2,0,0,0,0|1,0,1]=4 533 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CS-W017139 [0,2,0,0,0,0|0,0,0]=2 534 B9R0.27 COC(=O)C(N)C(=O)OC CS-0132445 [0,2,0,0,0,0|1,0,1]=4 535 B9R0.27 COC(=O)[C@@H](Br)[C@H](O)CBr CS-0135565 [0,2,0,0,0,0|2,0,0]=4 536 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O CS-W018249 [0,2,0,0,0,0|0,0,0]=2 537 B9R0.29 CN[C@H](C(=O)OC)C(C)C CS-0137982 [0,2,0,0,0,0|0,0,0]=2 538 B9R0.33 C=CCC(C(=O)O)C(C)C CS-0069966 [0,2,0,0,0,0|1,0,0]=3 539 B9R0.33 CCCC(C(=O)O)C(C)C CS-0225045 [0,2,0,0,0,0|1,0,0]=3 540 B9R0.54 CC(C)C(C(=O)O)C(=O)O CS-W021708 [0,2,0,0,0,0|1,0,0]=3 541 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C CS-0068124 [0,2,0,0,0,0|0,0,0]=2 542 B7R1.2 CC1CCC(=O)O1 CS-W016654 [1,0,0,1,0,0|2,0,0]=4 543 B7R1.2 CC1CNC(=O)C1 CS-0040667 [1,0,0,1,0,0|1,0,0]=3 544 B7R1.2 CC1COC(=O)N1 CS-0181060 [1,0,0,1,0,0|1,0,0]=3 545 B7R1.2 CN1CCC(=O)C1 CS-0172438 [1,0,0,1,0,0|2,0,0]=4 546 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [1,0,0,1,0,0|2,0,0]=4 547 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [1,0,0,1,0,0|2,0,0]=4 548 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [1,0,0,1,0,0|1,0,0]=3 549 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [1,0,0,1,0,0|1,0,0]=3 550 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [1,0,0,1,0,0|2,0,0]=4 551 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [1,0,0,1,0,0|2,0,0]=4 552 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [1,0,0,1,0,0|1,0,0]=3 553 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [1,0,0,1,0,0|1,0,0]=3 554 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [1,0,0,1,0,0|1,0,0]=3 555 B7R1.2 NC1CNC(=O)C1 CS-W023257 [1,0,0,1,0,0|2,0,0]=4 556 B7R1.2 N[C@@H]1CNC(=O)C1 CS-W003954 [1,0,0,1,0,0|2,0,0]=4 557 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [1,0,0,1,0,0|1,0,0]=3 558 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [1,0,0,1,0,0|1,0,0]=3 559 B7R1.2 O=C1CC(O)CN1 CS-W018808 [1,0,0,1,0,0|2,0,0]=4 560 B7R1.2 O=C1CCC(O)C1 CS-0051334 [1,0,0,1,0,0|2,0,0]=4 561 B7R1.2 O=C1COC(=O)C1 CS-W016655 [1,0,0,1,0,0|1,0,1]=4 562 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [1,0,0,1,0,0|2,0,0]=4 563 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [1,0,0,1,0,0|2,0,0]=4 564 B7R1.2 O=C1OCC(Cl)O1 CS-0046028 [1,0,0,1,0,0|2,0,0]=4 565 B7R1.2 O=C1OCC(F)O1 CS-0155468 [1,0,0,1,0,0|2,0,0]=4 566 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [1,0,0,1,0,0|1,0,0]=3 567 B7R1.12 CC1CC1C(=O)O CS-0072900 [1,0,0,1,0,0|0,0,0]=2 568 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [1,0,0,1,0,0|0,0,0]=2 569 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [1,0,0,1,0,0|0,0,0]=2 570 B7R1.12 O=C(O)C1CC1F CS-W006378 [1,0,0,1,0,0|1,0,0]=3 571 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [1,0,0,1,0,0|1,0,0]=3 572 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [1,0,0,1,0,0|1,0,0]=3 573 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-0058705 [1,0,0,1,0,0|1,0,0]=3 574 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [1,0,0,1,0,0|1,0,0]=3 575 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS-0053630 [1,0,0,1,0,0|1,0,0]=3 576 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [1,0,0,1,0,0|1,0,0]=3 577 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-W020398 [1,0,0,1,0,0|1,0,0]=3 578 B7R1.20 NC(=O)NC1CC1 CS-0073680 [1,0,0,1,0,0|2,0,0]=4 579 B7R1.20 O=C(O)CC1CC1 CS-W011326 [1,0,0,1,0,0|0,0,0]=2 580 B7R1.4 CC1CCNC1=O CS-W004958 [1,0,0,1,0,0|2,0,0]=4 581 B7R1.4 CC1CCOC1=O CS-0152675 [1,0,0,1,0,0|1,0,0]=3 582 B7R1.4 CN1CCOC1=O CS-W016647 [1,0,0,1,0,0|2,0,0]=4 583 B7R1.4 NC1CCNC1=O CS-0113495 [1,0,0,1,0,0|1,0,0]=3 584 B7R1.4 NC1CCOC1=O CS-0051531 [1,0,0,1,0,0|0,0,0]=2 585 B7R1.4 NC1CCSC1=O CS-0021300 [1,0,0,1,0,0|0,1,0]=3 586 B7R1.4 NC1CONC1=O CS-W008440 [1,0,0,1,0,0|2,0,0]=4 587 B7R1.4 NN1CCCC1=O CS-D0019 [1,0,0,1,0,0|2,0,0]=4 588 B7R1.4 NN1CCOC1=O CS-W013698 [1,0,0,1,0,0|1,0,0]=3 589 B7R1.4 N[C@@H]1CCC[C@@H]1O CS-W003557 [1,0,0,1,0,0|1,0,1]=4 590 B7R1.4 N[C@@H]1CCC[C@H]1O CS-0130454 [1,0,0,1,0,0|1,0,1]=4 591 B7R1.4 N[C@@H]1CCC[C@H]1O CS-W008557 [1,0,0,1,0,0|1,0,1]=4 592 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [1,0,0,1,0,0|1,0,0]=3 593 B7R1.4 N[C@@H]1CCOC1=O CS-0022064 [1,0,0,1,0,0|0,0,0]=2 594 B7R1.4 N[C@@H]1CCSC1=O CS-0375845 [1,0,0,1,0,0|0,1,0]=3 595 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049652 [1,0,0,1,0,0|1,0,1]=4 596 B7R1.4 N[C@@H]1CONC1=O CS-2395 [1,0,0,1,0,0|2,0,0]=4 597 B7R1.4 N[C@H]1CCC[C@@H]1O CS-W004139 [1,0,0,1,0,0|1,0,1]=4 598 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [1,0,0,1,0,0|1,0,1]=4 599 B7R1.4 N[C@H]1CCNC1=O CS-W021173 [1,0,0,1,0,0|1,0,0]=3 600 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [1,0,0,1,0,0|0,0,0]=2 601 B7R1.4 N[C@H]1CCSC1=O CS-6394 [1,0,0,1,0,0|0,1,0]=3 602 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [1,0,0,1,0,0|1,0,1]=4 603 B7R1.4 N[C@H]1COC[C@@H]1O CS-0047593 [1,0,0,1,0,0|1,0,1]=4 604 B7R1.4 N[C@H]1CONC1=O CS-4717 [1,0,0,1,0,0|2,0,0]=4 605 B7R1.4 O=C1NCCC1O CS-W005201 [1,0,0,1,0,0|2,0,0]=4 606 B7R1.4 O=C1NCC[C@@H]1O CS-W003342 [1,0,0,1,0,0|2,0,0]=4 607 B7R1.4 O=C1NCC[C@H]1F CS-0500742 [1,0,0,1,0,0|2,0,0]=4 608 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [1,0,0,1,0,0|2,0,0]=4 609 B7R1.4 O=C1OCCC1Br CS-W001104 [1,0,0,1,0,0|1,0,0]=3 610 B7R1.4 O=C1OCCC1O CS-W013699 [1,0,0,1,0,0|1,0,0]=3 611 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [1,0,0,1,0,0|1,0,0]=3 612 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [1,0,0,1,0,0|0,0,0]=2 613 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [1,0,0,1,0,0|0,0,0]=2 614 B7R1.18 NC(=O)C1CCC1 CS-D0904 [1,0,0,1,0,0|2,0,0]=4 615 B7R1.18 O=C(O)C1=CCC1 CS-0155456 [1,0,0,1,0,0|1,0,1]=4 616 B7R1.18 O=C(O)C1CCC1 CS-W011325 [1,0,0,1,0,0|1,0,0]=3 617 B7R1.18 O=C(O)C1CCN1 CS-M0178 [1,0,0,1,0,0|0,0,0]=2 618 B7R1.18 O=C(O)C1CCO1 CS-W006382 [1,0,0,1,0,0|1,0,0]=3 619 B7R1.18 O=C(O)C1CNC1 CS-0067915 [1,0,0,1,0,0|2,0,0]=4 620 B7R1.18 O=C(O)C1CNC1 CS-W019846 [1,0,0,1,0,0|2,0,0]=4 621 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0031389 [1,0,0,1,0,0|0,0,0]=2 622 B7R1.18 O=C(O)[C@@H]1CCO1 CS-0148269 [1,0,0,1,0,0|1,0,0]=3 623 B7R1.18 O=C(O)[C@H]1CCN1 CS-W018478 [1,0,0,1,0,0|0,0,0]=2 624 B7R1.19 CC(=O)C1(Cl)CC1 CS-0186210 [1,0,0,1,0,0|2,0,0]=4 625 B7R1.19 CC1(C(=O)O)CC1 CS-W000087 [1,0,0,1,0,0|1,0,0]=3 626 B7R1.19 NC(=O)C1(Br)CC1 CS-0138277 [1,0,0,1,0,0|2,0,0]=4 627 B7R1.19 NC(=O)C1(N)CC1 CS-0036086 [1,0,0,1,0,0|1,0,0]=3 628 B7R1.19 NC1(C(=O)O)CC1 CS-0003966 [1,0,0,1,0,0|0,0,0]=2 629 B7R1.19 NC1(C(=O)O)CC1 CS-B0091 [1,0,0,1,0,0|0,0,0]=2 630 B7R1.19 O=C(O)C1(Br)CC1 CS-0043838 [1,0,0,1,0,0|1,0,0]=3 631 B7R1.19 O=C(O)C1(O)CC1 CS-W011313 [1,0,0,1,0,0|1,0,0]=3 632 B7R1.22 CCC(N)C1CC1 CS-0052574 [1,0,0,1,0,0|1,0,1]=4 633 B7R1.22 NC(CO)C1CC1 CS-0075143 [1,0,0,1,0,0|0,0,1]=3 634 B7R1.22 N[C@@H](CO)C1CC1 CS-0111762 [1,0,0,1,0,0|0,0,1]=3 635 B7R1.22 N[C@H](CO)C1CC1 CS-0173226 [1,0,0,1,0,0|0,0,1]=3 636 B9R1.35 CC(C)C1CNC(=O)C1 CS-0046667 [0,0,0,1,0,1|2,0,0]=4 637 B9R1.35 CC(C)C1COC(=O)N1 CS-0076533 [0,0,0,1,0,1|1,0,0]=3 638 B9R1.35 CC(C)[C@@H]1COC(=O)N1 CS-W002320 [0,0,0,1,0,1|1,0,0]=3 639 B9R1.35 CC(C)[C@@H]1COC(=S)N1 CS-0093694 [0,0,0,1,0,1|1,1,0]=4 640 B9R1.35 CC(C)[C@H]1COC(=O)N1 CS-W002062 [0,0,0,1,0,1|1,0,0]=3 641 B9R1.35 CC(C)[C@H]1COC(=S)N1 CS-W016360 [0,0,0,1,0,1|1,1,0]=4 642 B9R1.35 CN1CCC(C(=O)O)C1 CS-0005397 [0,0,0,1,0,1|2,0,0]=4 643 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 CS-0149995 [0,0,0,1,0,1|2,0,0]=4 644 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 CS-0671280 [0,0,0,1,0,1|2,0,0]=4 645 B9R1.35 NC(=O)[C@H]1C[C@@H](O)CN1 CS-0495436 [0,0,0,1,0,1|2,0,0]=4 646 B9R1.35 NC1CCC(C(=O)O)C1 CS-0051536 [0,0,0,1,0,1|2,0,0]=4 647 B9R1.35 NC1CCC(C(=O)O)C1 CS-0119364 [0,0,0,1,0,1|2,0,0]=4 648 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0047789 [0,0,0,1,0,1|2,0,0]=4 649 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0058718 [0,0,0,1,0,1|2,0,0]=4 650 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 CS-0001906 [0,0,0,1,0,1|1,0,0]=3 651 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0035738 [0,0,0,1,0,1|2,0,0]=4 652 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0053615 [0,0,0,1,0,1|2,0,0]=4 653 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0166792 [0,0,0,1,0,1|2,0,0]=4 654 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 CS-0162383 [0,0,0,1,0,1|2,0,0]=4 655 B9R1.35 N[C@H]1CN[C@@H](C(=O)O)C1 CS-0438145 [0,0,0,1,0,1|1,0,0]=3 656 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 CS-0028271 [0,0,0,1,0,1|1,0,0]=3 657 B9R1.35 O=C(O)C1CCC(Br)C1 CS-0380404 [0,0,0,1,0,1|2,0,0]=4 658 B9R1.35 O=C(O)C1CCC(O)C1 CS-0112577 [0,0,0,1,0,1|2,0,0]=4 659 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0037623 [0,0,0,1,0,1|1,0,0]=3 660 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0058696 [0,0,0,1,0,1|1,0,0]=3 661 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-0101213 [0,0,0,1,0,1|1,0,0]=3 662 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-W008928 [0,0,0,1,0,1|1,0,0]=3 663 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0053410 [0,0,0,1,0,1|1,0,0]=3 664 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CS-0058726 [0,0,0,1,0,1|1,0,0]=3 665 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-0028245 [0,0,0,1,0,1|1,0,0]=3 666 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-W009077 [0,0,0,1,0,1|1,0,0]=3 667 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 CS-0053465 [0,0,0,1,0,1|1,0,0]=3 668 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CS-M0679 [0,0,0,1,0,1|1,0,0]=3 669 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 CS-0001913 [0,0,0,1,0,1|1,0,0]=3 670 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-0020162 [0,0,0,1,0,1|1,0,0]=3 671 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-W003511 [0,0,0,1,0,1|1,0,0]=3 672 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0271190 [0,0,0,1,0,1|1,0,1]=4 673 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0476427 [0,0,0,1,0,1|1,0,1]=4 674 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 CS-W008129 [0,0,0,1,0,1|1,0,0]=3 675 B9R1.38 CC1(C)OC(=O)NC1=O CS-0013093 [0,0,0,1,0,1|1,0,1]=4 676 B9R1.112 NC(CC1CC1)C(=O)O CS-0043558 [0,0,0,1,0,1|0,0,0]=2 677 B9R1.112 N[C@H](CC1CC1)C(=O)O CS-W013449 [0,0,0,1,0,1|0,0,0]=2 678 B9R1.112 [C@H](N)(CC1CC1)C(=O)O CS-W008028 [0,0,0,1,0,1|0,0,0]=2 679 B9R1.137 NC(CC(=O)O)C1CC1 CS-0054269 [0,0,0,1,0,1|0,0,0]=2 680 B9R1.164 CC1(C)CC(C(=O)O)C1 CS-W021789 [0,0,0,1,0,1|1,0,0]=3 681 B9R1.164 CC1(O)CC(C(=O)O)C1 CS-0051341 [0,0,0,1,0,1|2,0,0]=4 682 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 CS-0058634 [0,0,0,1,0,1|2,0,0]=4 683 B9R1.41 CC1CCCC1C(=O)O CS-0047145 [0,1,0,1,0,0|1,0,0]=3 684 B9R1.41 CC1CNCC1C(=O)O CS-0460956 [0,1,0,1,0,0|0,0,0]=2 685 B9R1.41 CN1CCCC1C(=O)O CS-B1576 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001861 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001913 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.41 CN1CCC[C@H]1C(=O)O CS-B1517 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.41 CN1CSCC1C(=O)O CS-0597627 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CS-0120592 [0,1,0,1,0,0|2,0,0]=4 691 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O CS-0130164 [0,1,0,1,0,0|2,0,0]=4 692 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CS-0130633 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.41 O=C(O)C1NCCC1O CS-0465857 [0,1,0,1,0,0|1,0,0]=3 694 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CS-0058698 [0,1,0,1,0,0|1,0,0]=3 695 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CS-0184644 [0,1,0,1,0,0|1,0,0]=3 696 B9R1.41 [C@H]1(O)CCN[C@@H]1C(=O)O CS-W006575 [0,1,0,1,0,0|1,0,0]=3 697 B9R1.101 COC(=O)C(N)C1CC1 CS-W005014 [0,1,0,1,0,0|0,0,0]=2 698 B9R1.101 COC(=O)[C@@H](N)C1CC1 CS-0150941 [0,1,0,1,0,0|0,0,0]=2 699 B9R1.101 COC(=O)[C@H](N)C1CC1 CS-0111776 [0,1,0,1,0,0|0,0,0]=2 700 B9R1.110 NC(C(=O)O)C1CCC1 CS-D0010 [0,1,0,1,0,0|0,0,0]=2 701 B9R1.110 N[C@@H](C(=O)O)C1CCC1 CS-0053495 [0,1,0,1,0,0|0,0,0]=2 702 B9R1.110 N[C@@H](C(=O)O)C1COC1 CS-0043570 [0,1,0,1,0,0|0,0,0]=2 703 B9R1.110 N[C@H](C(=O)O)C1CCC1 CS-W021160 [0,1,0,1,0,0|0,0,0]=2 704 B9R1.138 CC1(C)COC(=O)C1=O CS-0065829 [0,1,0,1,0,0|1,0,1]=4 705 B9R1.138 CC1(C)COC(=O)C1O CS-0046126 [0,1,0,1,0,0|1,0,0]=3 706 B9R1.138 [C@@H]1(O)C(=O)OCC1(C)C CS-W013437 [0,1,0,1,0,0|1,0,0]=3 707 B9R1.138 [C@H]1(O)C(=O)OCC1(C)C CS-W011112 [0,1,0,1,0,0|1,0,0]=3 708 B9R1.168 CN(C)C1(C(=O)O)CC1 CS-W021255 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.165 CC(O)(C(=O)O)C1CC1 CS-0224301 [0,1,0,1,0,0|1,0,0]=3 710 B9R1.165 O=C(O)C(F)(F)C1CC1 CS-0161410 [0,1,0,1,0,0|1,0,0]=3 711 B9R2.36 O=C1CCC1C2CC2 CS-0670396 [0,0,0,2,0,0|2,0,0]=4 712 B9R2.143 O=C(O)C1CC12CC2 CS-0048700 [0,0,0,2,0,0|1,0,0]=3 713 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [1,0,0,0,0,1|0,0,2]=4 714 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [1,0,0,0,0,1|1,0,1]=4 715 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [1,0,0,0,0,1|1,0,1]=4 716 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [1,0,0,0,0,1|1,0,1]=4 717 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [1,0,0,0,0,1|1,0,1]=4 718 B7R0.6 CC(=O)\C=C\C(C)C CS-0199438 [1,0,0,0,0,1|1,0,1]=4 719 B7R0.6 CC(=S)NCC(=O)O CS-0504830 [1,0,0,0,0,1|1,0,1]=4 720 B7R0.6 CC(C)CCB(O)O CS-0154235 [1,0,0,0,0,1|1,0,1]=4 721 B7R0.6 CC(C)CCC(=O)O CS-W016598 [1,0,0,0,0,1|0,0,0]=2 722 B7R0.6 CC(C)CCC(C)O CS-0225168 [1,0,0,0,0,1|1,0,1]=4 723 B7R0.6 CC(C)OCC(=O)O CS-0005425 [1,0,0,0,0,1|0,0,0]=2 724 B7R0.6 CC(C)\C=C\C(=O)O CS-0206284 [1,0,0,0,0,1|0,0,1]=3 725 B7R0.6 CC(C)\C=C\C(=O)O CS-0642794 [1,0,0,0,0,1|0,0,1]=3 726 B7R0.6 CC(N)CCC(=O)O CS-0276521 [1,0,0,0,0,1|1,0,0]=3 727 B7R0.6 CN(C)CCC(=O)O CS-W007826 [1,0,0,0,0,1|1,0,0]=3 728 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [1,0,0,0,0,1|1,0,0]=3 729 B7R0.6 C[S+](C)CCC(=O)O CS-0158148 [1,0,0,0,0,1|1,0,0]=3 730 B7R0.6 O=C(O)CCC(F)F CS-0375270 [1,0,0,0,0,1|2,0,0]=4 731 B7R0.6 O=C(O)COC(F)F CS-0102315 [1,0,0,0,0,1|2,0,0]=4 732 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-0102562 [0,0,0,0,0,2|1,0,1]=4 733 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-6301 [0,0,0,0,0,2|1,0,1]=4 734 B9R0.7 CC(C)C(=O)NCC(=O)O CS-0201719 [0,0,0,0,0,2|1,0,1]=4 735 B9R0.7 CC(C)CC[C@@H](N)C(=O)O CS-0154245 [0,0,0,0,0,2|0,0,0]=2 736 B9R0.7 CC(C)CC[C@H](N)C(=O)O CS-0498852 [0,0,0,0,0,2|0,0,0]=2 737 B9R0.7 CS(=O)CCC(N)C(=O)O CS-0059319 [0,0,0,0,0,2|2,0,0]=4 738 B9R0.7 C[S+](C)CCC(N)C(=O)O CS-0083177 [0,0,0,0,0,2|1,0,0]=3 739 B9R0.7 [C@H](N)(CCS(C)=O)C(=O)O CS-W010820 [0,0,0,0,0,2|2,0,0]=4 740 B9R0.53 CC(C)CC(N)CC(=O)O CS-W021839 [0,0,0,0,0,2|0,0,0]=2 741 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CS-0038509 [0,0,0,0,0,2|0,0,0]=2 742 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-0036492 [0,0,0,0,0,2|0,0,0]=2 743 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-W008482 [0,0,0,0,0,2|0,0,0]=2