0 B5R0.3 C=C(CCl)CCl CS-W011177 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=C(CO)CO CS-W009247 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.3 C=CC(O)C=C CS-0064552 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 C=CC(O)CO CS-W016675 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.3 C=C[C@@H](N)CO CS-0089925 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 C=C[C@H](N)CO CS-0088065 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CC(CBr)CBr CS-0154074 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 CC(CCl)CBr CS-0204235 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 CC(CN)CO CS-0447291 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.3 CC(CO)CBr CS-0139638 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.3 CC(CO)CO CS-0021060 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.3 CCC(=N)NO CS-D0340 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.3 CCC(=O)CBr CS-0131119 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 CCC(=O)CN CS-W005374 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.3 CCC(=O)CO CS-W005327 [0,0,0,0,0,0|1,0,2]=3 15 B5R0.3 CCC(Br)CC CS-0015742 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.3 CCC(C)C#N CS-0648856 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 CCC(C)C#N CS-0649016 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 CCC(C)C#N CS-0649019 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.3 CCC(N)C#N CS-0197521 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.3 CCC(N)CC CS-0128806 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.3 CCC(O)CC CS-0128838 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.3 CCC(O)CN CS-0109319 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.3 CCS(=O)CC CS-0199213 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 CC[C@@H](C)CBr CS-0539690 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.3 CC[C@H](C)CO CS-0139702 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.3 CC[C@H](N)CO CS-W013745 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.3 CC[C@H](O)CO CS-0031373 [0,0,0,0,0,0|1,0,0]=1 29 B5R0.3 CNC(C)CO CS-0197105 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.3 CN[C@@H](C)CO CS-0139480 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.3 CN[C@@H](C)CO CS-0162089 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.3 CN[C@H](C)CO CS-0162211 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.3 COC(=O)CO CS-W004068 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.3 CO[C@@H](C)CN CS-W021167 [0,0,0,0,0,0|4,0,0]=4 35 B5R0.3 CO[C@@H](C)CO CS-0096324 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.3 CO[C@H](C)CN CS-0148788 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.3 CO[C@H](C)CN CS-0613352 [0,0,0,0,0,0|4,0,0]=4 38 B5R0.3 CO[C@H](C)CO CS-W011349 [0,0,0,0,0,0|3,0,0]=3 39 B5R0.3 C[C@@H](CO)CBr CS-0101486 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.3 NC(CO)CO CS-W007357 [0,0,0,0,0,0|1,0,0]=1 41 B5R0.3 NC(CO)CO CS-W011141 [0,0,0,0,0,0|1,0,0]=1 42 B5R0.3 NCC(O)CCl CS-W006320 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.3 NCC(O)CN CS-W007600 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.3 NCC(O)CO CS-W002040 [0,0,0,0,0,0|1,0,0]=1 45 B5R0.3 NC[C@@H](F)CO CS-0053486 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.3 NC[C@@H](O)CCl CS-0162224 [0,0,0,0,0,0|2,0,0]=2 47 B5R0.3 NC[C@@H](O)CO CS-W002683 [0,0,0,0,0,0|1,0,0]=1 48 B5R0.3 NC[C@H](F)CO CS-0053431 [0,0,0,0,0,0|2,0,0]=2 49 B5R0.3 NC[C@H](O)CCl CS-W021152 [0,0,0,0,0,0|2,0,0]=2 50 B5R0.3 NNC(=O)CO CS-W006527 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.3 O=C(CBr)CBr CS-W020932 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.3 O=C(CO)CO CS-W019614 [0,0,0,0,0,0|0,0,2]=2 53 B5R0.3 O=CC(O)CO CS-0102543 [0,0,0,0,0,0|0,0,2]=2 54 B5R0.3 O=S(CO)O[Na] CS-0046582 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.3 OC(CBr)CBr CS-W014808 [0,0,0,0,0,0|2,0,0]=2 56 B5R0.3 OCC(Cl)CO CS-0640889 [0,0,0,0,0,0|1,0,0]=1 57 B5R0.3 OCC(O)CBr CS-W018026 [0,0,0,0,0,0|1,0,0]=1 58 B5R0.3 OCC(O)CO CS-6964 [0,0,0,0,0,0|0,0,0]=0 59 B5R0.3 OCC(O)CS CS-W011288 [0,0,0,0,0,0|0,1,0]=1 60 B5R0.3 OCC(S)CS CS-0013059 [0,0,0,0,0,0|0,2,0]=2 61 B5R0.3 OC[C@@H](O)CCl CS-W018500 [0,0,0,0,0,0|1,0,0]=1 62 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [0,0,0,0,0,0|1,0,0]=1 63 B5R0.3 [C@H](O)(CN)CO CS-W017771 [0,0,0,0,0,0|1,0,0]=1 64 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [0,0,0,0,0,0|1,0,0]=1 65 B4R0.1 C#CC(C)N CS-0072301 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 C#C[C@H](C)N CS-0147130 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 C#C[C@H](C)O CS-0127970 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.1 C=C(C)CN CS-0204398 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 C=CC(C)N CS-0173225 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 CC(=N)NO CS-W008635 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 CC(=O)CN CS-W004850 [1,0,0,0,0,0|1,0,2]=4 72 B4R0.1 CC(=O)CO CS-0017823 [1,0,0,0,0,0|0,0,2]=3 73 B4R0.1 CC(=O)NO CS-4881 [1,0,0,0,0,0|1,0,2]=4 74 B4R0.1 CC(Br)C#N CS-0020094 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.1 CC(Br)CO CS-0061061 [1,0,0,0,0,0|1,0,0]=2 76 B4R0.1 CC(C)=NO CS-W009556 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 CC(C)CN CS-0154223 [1,0,0,0,0,0|2,0,0]=3 78 B4R0.1 CC(C)CN CS-0214073 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.1 CC(C)NO CS-W022923 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.1 CC(C)ON CS-W008733 [1,0,0,0,0,0|3,0,0]=4 81 B4R0.1 CC(N)C#N CS-0095478 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.1 CC(N)CCl CS-0161780 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.1 CC(N)CF CS-0107816 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 CC(N)CO CS-W018531 [1,0,0,0,0,0|1,0,0]=2 85 B4R0.1 CC(O)CBr CS-0063182 [1,0,0,0,0,0|1,0,0]=2 86 B4R0.1 CC(O)CN CS-W016685 [1,0,0,0,0,0|1,0,0]=2 87 B4R0.1 CC(O)CO CS-0015917 [1,0,0,0,0,0|0,0,0]=1 88 B4R0.1 CCB(O)O CS-W000933 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 CC[C@@H](C)N CS-0379054 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 CC[C@@H](C)O CS-0128797 [1,0,0,0,0,0|1,0,0]=2 91 B4R0.1 CC[C@H](C)N CS-0084847 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.1 C[C@@H](Cl)CO CS-0186126 [1,0,0,0,0,0|1,0,0]=2 93 B4R0.1 C[C@@H](N)CF CS-0104382 [1,0,0,0,0,0|2,0,0]=3 94 B4R0.1 C[C@@H](N)CN CS-W018220 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.1 C[C@@H](N)CO CS-W011362 [1,0,0,0,0,0|1,0,0]=2 96 B4R0.1 C[C@@H](O)CN CS-W002295 [1,0,0,0,0,0|1,0,0]=2 97 B4R0.1 C[C@@H](O)CO CS-W020032 [1,0,0,0,0,0|0,0,0]=1 98 B4R0.1 C[C@H](N)CF CS-0090252 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.1 C[C@H](N)CO CS-B1303 [1,0,0,0,0,0|1,0,0]=2 100 B4R0.1 C[C@H](O)CN CS-W019029 [1,0,0,0,0,0|1,0,0]=2 101 B4R0.1 C[C@H](O)CO CS-0011520 [1,0,0,0,0,0|0,0,0]=1 102 B4R0.1 NC(=O)CO CS-W016686 [1,0,0,0,0,0|1,0,2]=4 103 B4R0.1 NCC(=O)O CS-0158475 [1,0,0,0,0,0|1,0,2]=4 104 B4R0.1 NCC(=O)O CS-0187433 [1,0,0,0,0,0|1,0,2]=4 105 B4R0.1 NCC(=O)O CS-B1641 [1,0,0,0,0,0|1,0,2]=4 106 B4R0.1 NCC(F)F CS-0121259 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.1 O=BB(O)O CS-0188083 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.1 O=C(O)[Ba]O CS-0015804 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.1 O=[Si](O)[Ca]O CS-0144587 [1,0,0,0,0,0|1,1,1]=4 110 B4R0.1 O=[Si](O)[Ca]O CS-0180929 [1,0,0,0,0,0|1,1,1]=4 111 B4R0.1 [C@@H](C)(Cl)CO CS-W016664 [1,0,0,0,0,0|1,0,0]=2 112 B4R0.1 [C@@H](C)(N)CN CS-W008537 [1,0,0,0,0,0|2,0,0]=3 113 B4R0.1 [C@H](C)(O)CCl CS-W005784 [1,0,0,0,0,0|1,0,0]=2 114 B4R0.2 BrCCCI CS-0199040 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.2 C#CCCBr CS-0147245 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.2 C#CCCI CS-0088596 [1,0,0,0,0,0|2,0,1]=4 117 B4R0.2 C#CCCN CS-0059198 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.2 C#CCCO CS-W001947 [1,0,0,0,0,0|1,0,1]=3 119 B4R0.2 C=CCCI CS-0139149 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.2 C=CCCN CS-0028781 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.2 CC#CCO CS-B1382 [1,0,0,0,0,0|1,0,2]=4 122 B4R0.2 CCCCN CS-0214149 [1,0,0,0,0,0|2,0,0]=3 123 B4R0.2 CCCNN CS-0152064 [1,0,0,0,0,0|3,0,0]=4 124 B4R0.2 CCNCC CS-0160324 [1,0,0,0,0,0|3,0,0]=4 125 B4R0.2 CNCCBr CS-0042068 [1,0,0,0,0,0|3,0,0]=4 126 B4R0.2 CNCCCl CS-W019383 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.2 CNCCO CS-0542090 [1,0,0,0,0,0|2,0,0]=3 128 B4R0.2 CNCCO CS-W008875 [1,0,0,0,0,0|2,0,0]=3 129 B4R0.2 COCCBr CS-0015336 [1,0,0,0,0,0|3,0,0]=4 130 B4R0.2 COCCI CS-0139205 [1,0,0,0,0,0|3,0,0]=4 131 B4R0.2 COCCO CS-0179325 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.2 COCCO CS-0200432 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.2 CSCCN CS-0063136 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.2 CSCCO CS-0150086 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.2 ClCCCI CS-W018493 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.2 FCCCI CS-0121313 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.2 ICCCI CS-W012156 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.2 N#CCCI CS-0243866 [1,0,0,0,0,0|2,0,1]=4 139 B4R0.2 N#CCCN CS-D1507 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.2 N#CCCO CS-W001263 [1,0,0,0,0,0|1,0,1]=3 141 B4R0.2 NCCCBr CS-W008585 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.2 NCCCCl CS-0015792 [1,0,0,0,0,0|2,0,0]=3 143 B4R0.2 NCCCN CS-0214047 [1,0,0,0,0,0|2,0,0]=3 144 B4R0.2 NCCCN CS-0214116 [1,0,0,0,0,0|2,0,0]=3 145 B4R0.2 NCCCO CS-W020089 [1,0,0,0,0,0|1,0,0]=2 146 B4R0.2 NCCON CS-M2746 [1,0,0,0,0,0|3,0,0]=4 147 B4R0.2 NOCCO CS-W011361 [1,0,0,0,0,0|2,0,0]=3 148 B4R0.2 OCCCBr CS-W007337 [1,0,0,0,0,0|1,0,0]=2 149 B4R0.2 OCCCF CS-0170820 [1,0,0,0,0,0|1,0,0]=2 150 B4R0.2 OCCCI CS-W015993 [1,0,0,0,0,0|1,0,0]=2 151 B4R0.2 OCCCO CS-W018490 [1,0,0,0,0,0|0,0,0]=1 152 B6R0.1 C#CC(O)CCC CS-W016658 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.1 C=CCC(N)CO CS-0197807 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.1 C=CC[C@@H](N)CO CS-0162183 [0,1,0,0,0,0|2,0,0]=3 155 B6R0.1 CC(CO)CCN CS-0154050 [0,1,0,0,0,0|2,0,0]=3 156 B6R0.1 CC(CO)CCO CS-0517219 [0,1,0,0,0,0|1,0,0]=2 157 B6R0.1 CCC(=O)COC CS-0213932 [0,1,0,0,0,0|1,0,2]=4 158 B6R0.1 CCCC(Cl)CC CS-0102884 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.1 CCCC(O)CO CS-0017222 [0,1,0,0,0,0|1,0,0]=2 160 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,1,0,0,0,0|2,0,0]=3 161 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,1,0,0,0,0|2,0,0]=3 162 B6R0.1 CCOC(=O)CO CS-W019892 [0,1,0,0,0,0|1,0,2]=4 163 B6R0.1 CCOC(C)CC CS-0196425 [0,1,0,0,0,0|3,0,0]=4 164 B6R0.1 CNC(C)COC CS-0301311 [0,1,0,0,0,0|3,0,0]=4 165 B6R0.1 CNCC(O)CO CS-0151017 [0,1,0,0,0,0|1,0,0]=2 166 B6R0.1 COC(C)CCO CS-W013686 [0,1,0,0,0,0|3,0,0]=4 167 B6R0.1 COCC(N)CO CS-0106469 [0,1,0,0,0,0|1,0,0]=2 168 B6R0.1 COCC(O)CN CS-0106474 [0,1,0,0,0,0|1,0,0]=2 169 B6R0.1 N#CC[C@H](O)CCl CS-0096879 [0,1,0,0,0,0|2,0,0]=3 170 B6R0.1 O=C(CCl)NCO CS-0147071 [0,1,0,0,0,0|1,0,2]=4 171 B6R0.1 OCCC(O)CO CS-0008443 [0,1,0,0,0,0|0,0,0]=1 172 B6R0.1 OCC[C@H](O)CO CS-0000034 [0,1,0,0,0,0|0,0,0]=1 173 B6R0.1 [C@H](O)(CCl)CC#N CS-W016583 [0,1,0,0,0,0|2,0,0]=3 174 B6R0.3 C#CC(O)C(C)C CS-0207469 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.3 C=C[C@@H](C)[C@@H](C)O CS-0368397 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.3 C=C[C@H](C)[C@H](C)O CS-0368404 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.3 CC(C)C(N)CO CS-W004906 [0,1,0,0,0,0|2,0,0]=3 178 B6R0.3 CC(C)C(O)CN CS-0129685 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.3 CC(C)[C@@H](N)CO CS-D0610 [0,1,0,0,0,0|2,0,0]=3 180 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [0,1,0,0,0,0|2,0,0]=3 181 B6R0.3 CC(CBr)C(=O)O CS-W016048 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.3 CC(CN)C(=O)O CS-W013690 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.3 CCC(C)B(O)O CS-W011315 [0,1,0,0,0,0|3,0,0]=4 184 B6R0.3 CCC(N)C(=O)O CS-W011306 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.3 CCC(O)C(N)=O CS-0232591 [0,1,0,0,0,0|1,0,2]=4 186 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [0,1,0,0,0,0|2,0,1]=4 189 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [0,1,0,0,0,0|1,0,1]=3 190 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [0,1,0,0,0,0|2,0,1]=4 191 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183871 [0,1,0,0,0,0|2,0,0]=3 194 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [0,1,0,0,0,0|1,0,1]=3 195 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.3 NC(=O)[C@@H](N)CO CS-W008254 [0,1,0,0,0,0|1,0,2]=4 200 B6R0.3 NC(=O)[C@H](N)CO CS-0158516 [0,1,0,0,0,0|1,0,2]=4 201 B6R0.3 NC(CO)C(=O)O CS-0015292 [0,1,0,0,0,0|1,0,1]=3 202 B6R0.3 NC(CS)C(=O)O CS-0201576 [0,1,0,0,0,0|1,1,1]=4 203 B6R0.3 NC(CS)C(=O)O CS-W013566 [0,1,0,0,0,0|1,1,1]=4 204 B6R0.3 NC(CS)C(=O)O CS-W014367 [0,1,0,0,0,0|1,1,1]=4 205 B6R0.3 NC(CS)C(=O)O CS-W017432 [0,1,0,0,0,0|1,1,1]=4 206 B6R0.3 NCC(F)C(=O)O CS-W011291 [0,1,0,0,0,0|2,0,1]=4 207 B6R0.3 NCC(N)C(=O)O CS-0130703 [0,1,0,0,0,0|2,0,1]=4 208 B6R0.3 NCC(N)C(=O)O CS-W014390 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.3 NCC(O)C(=O)O CS-W013682 [0,1,0,0,0,0|1,0,1]=3 210 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [0,1,0,0,0,0|2,0,1]=4 212 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [0,1,0,0,0,0|1,0,1]=3 213 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [0,1,0,0,0,0|2,0,1]=4 214 B6R0.3 N[C@@H](CCl)C(=O)O CS-7792 [0,1,0,0,0,0|2,0,1]=4 215 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [0,1,0,0,0,0|1,0,1]=3 216 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [0,1,0,0,0,0|1,0,1]=3 217 B6R0.3 N[C@@H](CS)C(=O)O CS-W009027 [0,1,0,0,0,0|1,1,1]=4 218 B6R0.3 N[C@@H](CS)C(=O)O CS-W017431 [0,1,0,0,0,0|1,1,1]=4 219 B6R0.3 N[C@@H](CS)C(=O)O CS-W018517 [0,1,0,0,0,0|1,1,1]=4 220 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.3 N[C@H](CCl)C(=O)O CS-W016173 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [0,1,0,0,0,0|1,0,1]=3 223 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [0,1,0,0,0,0|1,1,1]=4 224 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [0,1,0,0,0,0|1,1,1]=4 225 B6R0.3 O=C(O)C(O)CCl CS-0186802 [0,1,0,0,0,0|1,0,1]=3 226 B6R0.3 O=C(O)C(O)CO CS-W018821 [0,1,0,0,0,0|0,0,1]=2 227 B6R0.3 [C@@H](C)(O)[C@@H](N)CO CS-W008521 [0,1,0,0,0,0|1,0,0]=2 228 B6R0.3 [C@H](C)(O)[C@H](N)CO CS-W013681 [0,1,0,0,0,0|1,0,0]=2 229 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [0,1,0,0,0,0|1,0,1]=3 231 B6R0.8 CC(C)(C#N)CO CS-W018923 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.8 CC(C)(CBr)CBr CS-W004189 [0,1,0,0,0,0|3,0,0]=4 233 B6R0.8 CC(C)(CN)CN CS-0077143 [0,1,0,0,0,0|3,0,0]=4 234 B6R0.8 CC(C)(CN)CO CS-W008239 [0,1,0,0,0,0|2,0,0]=3 235 B6R0.8 CC(C)(CO)CBr CS-0043654 [0,1,0,0,0,0|2,0,0]=3 236 B6R0.8 CC(C)(CO)CCl CS-W011189 [0,1,0,0,0,0|2,0,0]=3 237 B6R0.8 CC(N)(CO)CO CS-W017770 [0,1,0,0,0,0|1,0,0]=2 238 B6R0.8 CCC(C)(C)CN CS-0590202 [0,1,0,0,0,0|3,0,0]=4 239 B6R0.8 CNC(C)(C)CO CS-W018699 [0,1,0,0,0,0|3,0,0]=4 240 B6R0.8 COC(C)(C)CO CS-0146594 [0,1,0,0,0,0|3,0,0]=4 241 B6R0.8 NCC(F)(F)CN CS-0038484 [0,1,0,0,0,0|3,0,0]=4 242 B6R0.8 NCC(F)(F)CO CS-B1180 [0,1,0,0,0,0|2,0,0]=3 243 B6R0.8 OCC(F)(F)CO CS-0094694 [0,1,0,0,0,0|1,0,0]=2 244 B6R0.9 CCC(CC)CBr CS-0132321 [0,1,0,0,0,0|3,0,0]=4 245 B6R0.9 CCC(CC)NN CS-0210677 [0,1,0,0,0,0|3,0,0]=4 246 B6R0.9 COC(CBr)OC CS-W018536 [0,1,0,0,0,0|3,0,0]=4 247 B6R0.9 COC(CN)OC CS-0015304 [0,1,0,0,0,0|3,0,0]=4 248 B6R0.9 COC(CO)OC CS-W011294 [0,1,0,0,0,0|2,0,0]=3 249 B6R0.9 OCC(CO)CO CS-W005889 [0,1,0,0,0,0|0,0,0]=1 250 B6R1.2 BrC1CCNC1 CS-W005728 [0,0,0,1,0,0|3,0,0]=4 251 B6R1.2 BrC1CCOC1 CS-W004035 [0,0,0,1,0,0|2,0,0]=3 252 B6R1.2 CC1CCNC1 CS-W021968 [0,0,0,1,0,0|3,0,0]=4 253 B6R1.2 C[C@H]1CCNC1 CS-0040457 [0,0,0,1,0,0|3,0,0]=4 254 B6R1.2 FC1CCNC1 CS-W005668 [0,0,0,1,0,0|3,0,0]=4 255 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [0,0,0,1,0,0|3,0,0]=4 256 B6R1.2 IC1CCCC1 CS-0067150 [0,0,0,1,0,0|3,0,0]=4 257 B6R1.2 IC1CCOC1 CS-W004266 [0,0,0,1,0,0|2,0,0]=3 258 B6R1.2 I[C@@H]1CCOC1 CS-0055199 [0,0,0,1,0,0|2,0,0]=3 259 B6R1.2 I[C@H]1CCOC1 CS-0053265 [0,0,0,1,0,0|2,0,0]=3 260 B6R1.2 NC1CC=CC1 CS-W022621 [0,0,0,1,0,0|3,0,0]=4 261 B6R1.2 NC1CCNC1 CS-W016190 [0,0,0,1,0,0|3,0,0]=4 262 B6R1.2 NC1CCOC1 CS-D1564 [0,0,0,1,0,0|2,0,0]=3 263 B6R1.2 NC1CCOC1 CS-W011353 [0,0,0,1,0,0|2,0,0]=3 264 B6R1.2 N[C@@H]1CCNC1 CS-W010887 [0,0,0,1,0,0|3,0,0]=4 265 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,0,0,1,0,0|2,0,0]=3 266 B6R1.2 N[C@H]1CCNC1 CS-W013278 [0,0,0,1,0,0|3,0,0]=4 267 B6R1.2 N[C@H]1CCOC1 CS-W019697 [0,0,0,1,0,0|2,0,0]=3 268 B6R1.2 O=C1CCOC1 CS-D1574 [0,0,0,1,0,0|1,0,2]=4 269 B6R1.2 OC1C=CCC1 CS-0451001 [0,0,0,1,0,0|2,0,1]=4 270 B6R1.2 OC1CC=CC1 CS-W002682 [0,0,0,1,0,0|2,0,0]=3 271 B6R1.2 OC1CCNC1 CS-W002985 [0,0,0,1,0,0|2,0,0]=3 272 B6R1.2 OC1CCNC1 CS-W022946 [0,0,0,1,0,0|2,0,0]=3 273 B6R1.2 OC1CCOC1 CS-M0786 [0,0,0,1,0,0|1,0,0]=2 274 B6R1.2 OC1CCSC1 CS-0185375 [0,0,0,1,0,0|1,1,0]=3 275 B6R1.2 OC1CNOC1 CS-0271204 [0,0,0,1,0,0|1,0,0]=2 276 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,0,0,1,0,0|2,0,0]=3 277 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,0,0,1,0,0|2,0,0]=3 278 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,0,0,1,0,0|1,0,0]=2 279 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,0,0,1,0,0|2,0,0]=3 280 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,0,0,1,0,0|2,0,0]=3 281 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,0,0,1,0,0|1,0,0]=2 282 B6R1.2 O[C@H]1CNOC1 CS-0060087 [0,0,0,1,0,0|1,0,0]=2 283 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,0,0,1,0,0|3,0,0]=4 284 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,0,0,1,0,0|3,0,0]=4 285 B6R1.4 CC1OCC1=O CS-0051833 [0,0,0,1,0,0|1,0,2]=4 286 B6R1.4 C[C@@H]1NC[C@@H]1O CS-0172767 [0,0,0,1,0,0|2,0,0]=3 287 B6R1.4 NC1CCC1F CS-0505919 [0,0,0,1,0,0|3,0,0]=4 288 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,0,0,1,0,0|2,0,0]=3 289 B6R1.6 BrCC1CCC1 CS-0015296 [0,0,0,1,0,0|3,0,0]=4 290 B6R1.6 BrCC1COC1 CS-W018850 [0,0,0,1,0,0|2,0,0]=3 291 B6R1.6 CNC1COC1 CS-0040193 [0,0,0,1,0,0|3,0,0]=4 292 B6R1.6 FCC1CNC1 CS-0085106 [0,0,0,1,0,0|3,0,0]=4 293 B6R1.6 ICC1CCC1 CS-0053096 [0,0,0,1,0,0|3,0,0]=4 294 B6R1.6 ICC1CCO1 CS-0052227 [0,0,0,1,0,0|2,0,0]=3 295 B6R1.6 ICC1COC1 CS-0045504 [0,0,0,1,0,0|2,0,0]=3 296 B6R1.6 N#CC1COC1 CS-0043332 [0,0,0,1,0,0|2,0,1]=4 297 B6R1.6 NCC1CCC1 CS-W004986 [0,0,0,1,0,0|3,0,0]=4 298 B6R1.6 NCC1CCO1 CS-0048767 [0,0,0,1,0,0|2,0,0]=3 299 B6R1.6 NCC1CNC1 CS-W022574 [0,0,0,1,0,0|3,0,0]=4 300 B6R1.6 NCC1COC1 CS-W008698 [0,0,0,1,0,0|2,0,0]=3 301 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [0,0,0,1,0,0|2,0,0]=3 302 B6R1.6 NNC1COC1 CS-0187598 [0,0,0,1,0,0|3,0,0]=4 303 B6R1.6 O=CC1COC1 CS-0048764 [0,0,0,1,0,0|1,0,2]=4 304 B6R1.6 OCC1CCC1 CS-W001922 [0,0,0,1,0,0|2,0,0]=3 305 B6R1.6 OCC1CCN1 CS-0049913 [0,0,0,1,0,0|2,0,0]=3 306 B6R1.6 OCC1CCO1 CS-W019194 [0,0,0,1,0,0|1,0,0]=2 307 B6R1.6 OCC1CNC1 CS-D1756 [0,0,0,1,0,0|2,0,0]=3 308 B6R1.7 CC1(CCl)CO1 CS-0089843 [0,0,0,1,0,0|2,0,0]=3 309 B6R1.7 CC1(CN)CC1 CS-0037189 [0,0,0,1,0,0|3,0,0]=4 310 B6R1.7 CC1(CO)CC1 CS-W000081 [0,0,0,1,0,0|2,0,0]=3 311 B6R1.7 NC1(CF)CC1 CS-0139594 [0,0,0,1,0,0|3,0,0]=4 312 B6R1.7 NC1(CO)CC1 CS-0040895 [0,0,0,1,0,0|2,0,0]=3 313 B6R1.7 NC1(CO)CC1 CS-D0148 [0,0,0,1,0,0|2,0,0]=3 314 B6R1.7 NCC1(O)CC1 CS-W005471 [0,0,0,1,0,0|2,0,0]=3 315 B6R1.7 OCC1(F)CC1 CS-W000077 [0,0,0,1,0,0|2,0,0]=3 316 B6R1.7 OCC1(O)CC1 CS-0037029 [0,0,0,1,0,0|1,0,0]=2 317 B6R1.8 C=C1CC1CO CS-0054284 [0,0,0,1,0,0|2,0,1]=4 318 B3R0.1 CCCN CS-0079898 [2,0,0,0,0,0|1,0,0]=3 319 B3R0.1 CCCN CS-0203559 [2,0,0,0,0,0|1,0,0]=3 320 B3R0.1 CCC[O-] CS-0636169 [2,0,0,0,0,0|0,0,1]=3 321 B3R0.1 CCNC CS-0158300 [2,0,0,0,0,0|2,0,0]=4 322 B3R0.1 CCNN CS-0151959 [2,0,0,0,0,0|2,0,0]=4 323 B3R0.1 CCNN CS-0160233 [2,0,0,0,0,0|2,0,0]=4 324 B3R0.1 CCNO CS-0370696 [2,0,0,0,0,0|1,0,0]=3 325 B3R0.1 CCON CS-0017502 [2,0,0,0,0,0|2,0,0]=4 326 B3R0.1 CCON CS-W011335 [2,0,0,0,0,0|2,0,0]=4 327 B3R0.1 ICCI CS-0143351 [2,0,0,0,0,0|2,0,0]=4 328 B3R0.1 NCCBr CS-W008659 [2,0,0,0,0,0|2,0,0]=4 329 B3R0.1 NCCCl CS-W013617 [2,0,0,0,0,0|2,0,0]=4 330 B3R0.1 NCCF CS-W007788 [2,0,0,0,0,0|2,0,0]=4 331 B3R0.1 NCCO CS-0088236 [2,0,0,0,0,0|1,0,0]=3 332 B3R0.1 NCCS CS-2800 [2,0,0,0,0,0|1,1,0]=4 333 B3R0.1 OCCI CS-W017637 [2,0,0,0,0,0|1,0,0]=3 334 B3R0.1 OCCO CS-0015059 [2,0,0,0,0,0|0,0,0]=2 335 B3R0.1 OCCO CS-0015844 [2,0,0,0,0,0|0,0,0]=2 336 B3R0.1 OCCO CS-0676146 [2,0,0,0,0,0|0,0,0]=2 337 B3R0.1 OCCO CS-0864542 [2,0,0,0,0,0|0,0,0]=2 338 B3R0.1 OCCO CS-0907650 [2,0,0,0,0,0|0,0,0]=2 339 B3R0.1 OCCO CS-0998158 [2,0,0,0,0,0|0,0,0]=2 340 B3R0.1 OCCO CS-1053456 [2,0,0,0,0,0|0,0,0]=2 341 B3R0.2 C=[N+](C)C CS-0132319 [2,0,0,0,0,0|2,0,0]=4 342 B3R0.2 CB(O)O CS-W018525 [2,0,0,0,0,0|1,0,0]=3 343 B3R0.2 CC(=O)O CS-0081928 [2,0,0,0,0,0|0,0,2]=4 344 B3R0.2 CC(=O)O CS-0144598 [2,0,0,0,0,0|0,0,2]=4 345 B3R0.2 CC(=O)O CS-0646220 [2,0,0,0,0,0|0,0,2]=4 346 B3R0.2 CC(=O)O CS-0886556 [2,0,0,0,0,0|0,0,2]=4 347 B3R0.2 CC(=O)O CS-W013740 [2,0,0,0,0,0|0,0,2]=4 348 B3R0.2 CC(=O)O CS-W019776 [2,0,0,0,0,0|0,0,2]=4 349 B3R0.2 CC(C)C CS-0035161 [2,0,0,0,0,0|1,0,0]=3 350 B3R0.2 CC(C)N CS-0154205 [2,0,0,0,0,0|1,0,0]=3 351 B3R0.2 CC(C)N CS-0182206 [2,0,0,0,0,0|1,0,0]=3 352 B3R0.2 CN(C)C CS-0204256 [2,0,0,0,0,0|2,0,0]=4 353 B3R0.2 CN(C)C CS-D1390 [2,0,0,0,0,0|2,0,0]=4 354 B3R0.2 CS(C)=O CS-B1637 [2,0,0,0,0,0|1,0,1]=4 355 B3R0.2 C[Cr](C)C CS-0137821 [2,0,0,0,0,0|2,0,0]=4 356 B3R0.2 C[In](C)C CS-0111736 [2,0,0,0,0,0|2,0,0]=4 357 B3R0.2 C[S+](C)Br CS-0311610 [2,0,0,0,0,0|2,0,0]=4 358 B3R0.2 C[S+](C)C CS-0128440 [2,0,0,0,0,0|2,0,0]=4 359 B3R0.2 C[S+](C)C CS-W008974 [2,0,0,0,0,0|2,0,0]=4 360 B3R0.2 O[AlH3](O)O CS-0013311 [2,0,0,0,0,0|1,0,0]=3 361 B3R0.2 O[Au](O)O CS-0167620 [2,0,0,0,0,0|1,0,0]=3 362 B3R0.2 O[In](O)O CS-0166623 [2,0,0,0,0,0|1,0,0]=3 363 B5R0.1 C=CC[C@H](C)O CS-0081915 [1,1,0,0,0,0|1,0,0]=3 364 B5R0.1 CC(=O)NCO CS-0061075 [1,1,0,0,0,0|0,0,2]=4 365 B5R0.1 CC(C)=CCO CS-W013751 [1,1,0,0,0,0|1,0,1]=4 366 B5R0.1 CC(C)CNN CS-0067938 [1,1,0,0,0,0|2,0,0]=4 367 B5R0.1 CC(C)CON CS-0136014 [1,1,0,0,0,0|1,0,0]=3 368 B5R0.1 CC(C)\C=N\O CS-W000111 [1,1,0,0,0,0|1,0,1]=4 369 B5R0.1 CC(N)CCO CS-W004841 [1,1,0,0,0,0|1,0,0]=3 370 B5R0.1 CC(O)CC#N CS-0261013 [1,1,0,0,0,0|1,0,0]=3 371 B5R0.1 CC(O)CCBr CS-0142519 [1,1,0,0,0,0|1,0,0]=3 372 B5R0.1 CC(O)CCO CS-0115644 [1,1,0,0,0,0|0,0,0]=2 373 B5R0.1 CCCB(O)O CS-W007470 [1,1,0,0,0,0|2,0,0]=4 374 B5R0.1 CCC[C@@H](C)N CS-0162182 [1,1,0,0,0,0|2,0,0]=4 375 B5R0.1 CCC[C@H](C)N CS-W006528 [1,1,0,0,0,0|2,0,0]=4 376 B5R0.1 CNCC(C)O CS-0216704 [1,1,0,0,0,0|1,0,0]=3 377 B5R0.1 COCC(=O)O CS-W020123 [1,1,0,0,0,0|0,0,2]=4 378 B5R0.1 COC[C@@H](C)N CS-W019198 [1,1,0,0,0,0|1,0,0]=3 379 B5R0.1 COC[C@H](C)N CS-0148795 [1,1,0,0,0,0|1,0,0]=3 380 B5R0.1 COC[C@H](C)O CS-0031378 [1,1,0,0,0,0|0,0,0]=2 381 B5R0.1 C[C@@H](N)CC#N CS-0127883 [1,1,0,0,0,0|2,0,0]=4 382 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,1,0,0,0,0|1,0,0]=3 383 B5R0.1 C[C@@H](O)CCO CS-M1638 [1,1,0,0,0,0|0,0,0]=2 384 B5R0.1 C[C@H](N)CC#N CS-0127884 [1,1,0,0,0,0|2,0,0]=4 385 B5R0.1 C[C@H](N)CCO CS-W019851 [1,1,0,0,0,0|1,0,0]=3 386 B5R0.1 C[C@H](O)CCO CS-W016671 [1,1,0,0,0,0|0,0,0]=2 387 B5R0.1 NOCC(=O)O CS-8158 [1,1,0,0,0,0|0,0,2]=4 388 B5R0.1 O=C(O)CCO CS-0147832 [1,1,0,0,0,0|0,0,2]=4 389 B5R0.1 OCCC(F)F CS-0185412 [1,1,0,0,0,0|2,0,0]=4 390 B5R0.4 CC(C)(C)CN CS-0996828 [1,1,0,0,0,0|2,0,0]=4 391 B5R0.4 CC(C)(C)CN CS-W019134 [1,1,0,0,0,0|2,0,0]=4 392 B5R0.4 CC(C)(C)NO CS-0130269 [1,1,0,0,0,0|2,0,0]=4 393 B5R0.4 CC(C)(C)NO CS-W022903 [1,1,0,0,0,0|2,0,0]=4 394 B5R0.4 CC(C)(Cl)CCl CS-0186289 [1,1,0,0,0,0|2,0,0]=4 395 B5R0.4 CC(C)(F)CBr CS-0154615 [1,1,0,0,0,0|2,0,0]=4 396 B5R0.4 CC(C)(F)CN CS-0060975 [1,1,0,0,0,0|2,0,0]=4 397 B5R0.4 CC(C)(F)CO CS-D1107 [1,1,0,0,0,0|1,0,0]=3 398 B5R0.4 CC(C)(N)CN CS-0058986 [1,1,0,0,0,0|2,0,0]=4 399 B5R0.4 CC(C)(N)CO CS-0129831 [1,1,0,0,0,0|1,0,0]=3 400 B5R0.4 CC(C)(N)CO CS-W013743 [1,1,0,0,0,0|1,0,0]=3 401 B5R0.4 CC(C)(O)CBr CS-0139635 [1,1,0,0,0,0|1,0,0]=3 402 B5R0.4 CC(C)(O)CCl CS-0030576 [1,1,0,0,0,0|1,0,0]=3 403 B5R0.4 CC(C)(O)CN CS-W008799 [1,1,0,0,0,0|1,0,0]=3 404 B5R0.4 CC(C)(O)CO CS-W005057 [1,1,0,0,0,0|0,0,0]=2 405 B5R0.4 CC(C)(S)CN CS-0140693 [1,1,0,0,0,0|1,1,0]=4 406 B5R0.4 CC(F)(F)CN CS-0028374 [1,1,0,0,0,0|2,0,0]=4 407 B5R0.4 CCC(C)(C)Br CS-0204230 [1,1,0,0,0,0|2,0,0]=4 408 B5R0.4 NCP(=O)(O)O CS-0085750 [1,1,0,0,0,0|2,0,0]=4 409 B5R0.4 OCC(Cl)(Cl)Cl CS-0013285 [1,1,0,0,0,0|2,0,0]=4 410 B5R0.5 CC(C)B(O)O CS-W004088 [1,1,0,0,0,0|2,0,0]=4 411 B5R0.5 CC(F)C(=O)O CS-0180920 [1,1,0,0,0,0|1,0,1]=4 412 B5R0.5 CC(N)C(=O)O CS-0022544 [1,1,0,0,0,0|1,0,1]=4 413 B5R0.5 CC(N)C(C)O CS-0217255 [1,1,0,0,0,0|1,0,0]=3 414 B5R0.5 CC(O)C(=O)O CS-0013338 [1,1,0,0,0,0|0,0,1]=3 415 B5R0.5 CC(O)C(=O)O CS-0031116 [1,1,0,0,0,0|0,0,1]=3 416 B5R0.5 CC(O)C(=O)O CS-0310546 [1,1,0,0,0,0|0,0,1]=3 417 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [1,1,0,0,0,0|0,0,2]=4 418 B5R0.5 CC(O)C(C)O CS-0099502 [1,1,0,0,0,0|0,0,0]=2 419 B5R0.5 CC(O)C(N)=O CS-0068194 [1,1,0,0,0,0|0,0,2]=4 420 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [1,1,0,0,0,0|1,0,1]=4 421 B5R0.5 C[C@@H](N)C(=O)O CS-W020127 [1,1,0,0,0,0|1,0,1]=4 422 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [1,1,0,0,0,0|0,0,2]=4 423 B5R0.5 C[C@@H](O)[C@@H](C)O CS-W016670 [1,1,0,0,0,0|0,0,0]=2 424 B5R0.5 C[C@H](Cl)C(=O)O CS-0020146 [1,1,0,0,0,0|1,0,1]=4 425 B5R0.5 C[C@H](N)C(=O)O CS-W020002 [1,1,0,0,0,0|1,0,1]=4 426 B5R0.5 C[C@H](O)C(=O)O CS-0015266 [1,1,0,0,0,0|0,0,1]=3 427 B5R0.5 C[C@H](O)C(N)=O CS-0330478 [1,1,0,0,0,0|0,0,2]=4 428 B5R0.5 C[C@H](O)[C@@H](C)O CS-0545500 [1,1,0,0,0,0|0,0,0]=2 429 B5R0.5 C[C@H](O)[C@H](C)O CS-0106462 [1,1,0,0,0,0|0,0,0]=2 430 B5R0.5 NC(O)C(=O)O CS-0380752 [1,1,0,0,0,0|0,0,2]=4 431 B5R0.5 OB(O)B(O)O CS-W004761 [1,1,0,0,0,0|2,0,0]=4 432 B5R0.5 OC(O)C(Cl)Cl CS-0210531 [1,1,0,0,0,0|1,0,0]=3 433 B5R0.5 [C@@H](C)(N)C(=O)O CS-0044074 [1,1,0,0,0,0|1,0,1]=4 434 B5R0.2 BrCCCCBr CS-W020631 [1,1,0,0,0,0|2,0,0]=4 435 B5R0.2 C#CCCCBr CS-0147349 [1,1,0,0,0,0|2,0,0]=4 436 B5R0.2 C#CCCCCl CS-W009550 [1,1,0,0,0,0|2,0,0]=4 437 B5R0.2 C#CCCCI CS-0088561 [1,1,0,0,0,0|2,0,0]=4 438 B5R0.2 C#CCCCN CS-0038434 [1,1,0,0,0,0|2,0,0]=4 439 B5R0.2 C#CCCCO CS-W011358 [1,1,0,0,0,0|1,0,0]=3 440 B5R0.2 C=CCCCI CS-0135974 [1,1,0,0,0,0|2,0,0]=4 441 B5R0.2 CCC#CCO CS-0143646 [1,1,0,0,0,0|1,0,1]=4 442 B5R0.2 CCCCON CS-0106180 [1,1,0,0,0,0|1,0,0]=3 443 B5R0.2 CCNCCO CS-0076051 [1,1,0,0,0,0|1,0,0]=3 444 B5R0.2 CCSCCN CS-0663845 [1,1,0,0,0,0|2,0,0]=4 445 B5R0.2 CNCCCCl CS-0150991 [1,1,0,0,0,0|2,0,0]=4 446 B5R0.2 CNCCCO CS-W007469 [1,1,0,0,0,0|1,0,0]=3 447 B5R0.2 COCCC#N CS-0030563 [1,1,0,0,0,0|1,0,1]=4 448 B5R0.2 COCCCBr CS-W010945 [1,1,0,0,0,0|1,0,0]=3 449 B5R0.2 COCCNN CS-0249520 [1,1,0,0,0,0|2,0,0]=4 450 B5R0.2 CSCCCO CS-0015993 [1,1,0,0,0,0|0,1,0]=3 451 B5R0.2 C\C=C\CCO CS-0162245 [1,1,0,0,0,0|1,0,1]=4 452 B5R0.2 ClCCCCBr CS-W017647 [1,1,0,0,0,0|2,0,0]=4 453 B5R0.2 ClCCCCI CS-W019348 [1,1,0,0,0,0|2,0,0]=4 454 B5R0.2 FCCCCBr CS-W018025 [1,1,0,0,0,0|2,0,0]=4 455 B5R0.2 ICCCCI CS-W004871 [1,1,0,0,0,0|2,0,0]=4 456 B5R0.2 N#CCCCBr CS-W004123 [1,1,0,0,0,0|2,0,0]=4 457 B5R0.2 N#CCCCCl CS-D1161 [1,1,0,0,0,0|2,0,0]=4 458 B5R0.2 NCCCCBr CS-W005399 [1,1,0,0,0,0|2,0,0]=4 459 B5R0.2 NCCCCCl CS-0158355 [1,1,0,0,0,0|2,0,0]=4 460 B5R0.2 NCCCCO CS-W002041 [1,1,0,0,0,0|1,0,0]=3 461 B5R0.2 NOCCON CS-0070013 [1,1,0,0,0,0|2,0,0]=4 462 B5R0.2 OCC#CCCl CS-0262802 [1,1,0,0,0,0|1,0,1]=4 463 B5R0.2 OCCCCBr CS-W000344 [1,1,0,0,0,0|1,0,0]=3 464 B5R0.2 OCCCCCl CS-0022417 [1,1,0,0,0,0|1,0,0]=3 465 B5R0.2 OCCCCF CS-0116811 [1,1,0,0,0,0|1,0,0]=3 466 B5R0.2 OCCNCO CS-0203827 [1,1,0,0,0,0|0,0,0]=2 467 B5R0.2 OC\C=C\CO CS-0130476 [1,1,0,0,0,0|0,0,1]=3 468 B5R0.2 OC\C=C\CO CS-B0322 [1,1,0,0,0,0|0,0,1]=3 469 B7R0.2 CC(C)CC(N)CO CS-W021562 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.2 CC(C)C[C@H](N)CO CS-W016592 [0,2,0,0,0,0|2,0,0]=4 471 B7R0.2 CCC(C)CC(=O)O CS-W011229 [0,2,0,0,0,0|2,0,0]=4 472 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,2,0,0,0,0|2,0,0]=4 473 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [0,2,0,0,0,0|2,0,0]=4 474 B7R0.2 CN(C)CC(O)CO CS-W016584 [0,2,0,0,0,0|1,0,0]=3 475 B7R0.2 N[C@@H](CO)CC(=O)O CS-W006063 [0,2,0,0,0,0|1,0,0]=3 476 B7R0.2 N[C@H](CO)CC(=O)O CS-W021172 [0,2,0,0,0,0|1,0,0]=3 477 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [0,2,0,0,0,0|2,0,0]=4 478 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [0,2,0,0,0,0|1,0,0]=3 479 B7R0.3 CCCCC(O)CO CS-W013596 [0,2,0,0,0,0|1,0,0]=3 480 B7R0.3 CCCC[C@@H](N)CO CS-0089933 [0,2,0,0,0,0|2,0,0]=4 481 B7R0.3 CCCC[C@@H](N)CO CS-0162184 [0,2,0,0,0,0|2,0,0]=4 482 B7R0.3 CCOCC(O)CO CS-0151429 [0,2,0,0,0,0|0,0,0]=2 483 B7R0.3 CSCC[C@H](N)CO CS-0020145 [0,2,0,0,0,0|1,1,0]=4 484 B7R0.3 C[C@@H](CN)CCCO CS-0368510 [0,2,0,0,0,0|2,0,0]=4 485 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [0,2,0,0,0,0|1,0,1]=4 486 B7R0.5 CNC[C@H](O)C(=O)O CS-1135890 [0,2,0,0,0,0|1,0,1]=4 487 B7R0.5 COCC(Br)C(=O)O CS-0197352 [0,2,0,0,0,0|1,0,1]=4 488 B7R0.5 COCC(N)C(=O)O CS-W013587 [0,2,0,0,0,0|1,0,1]=4 489 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [0,2,0,0,0,0|1,0,1]=4 490 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [0,2,0,0,0,0|1,0,1]=4 491 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [0,2,0,0,0,0|1,0,1]=4 492 B7R0.5 COC[C@H](N)C(=O)O CS-W006151 [0,2,0,0,0,0|1,0,1]=4 493 B7R0.5 NC(CCO)C(=O)O CS-W013586 [0,2,0,0,0,0|1,0,1]=4 494 B7R0.5 NCC[C@H](O)C(=O)O CS-W002667 [0,2,0,0,0,0|1,0,1]=4 495 B7R0.5 N[C@@H](CCO)C(=O)O CS-W002292 [0,2,0,0,0,0|1,0,1]=4 496 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [0,2,0,0,0,0|1,0,1]=4 497 B7R0.7 C=CCC(O)CC=C CS-0064549 [0,2,0,0,0,0|2,0,0]=4 498 B7R0.7 CC(CCO)CCO CS-0188324 [0,2,0,0,0,0|1,0,0]=3 499 B7R0.7 CCCC(O)CCC CS-0132313 [0,2,0,0,0,0|2,0,0]=4 500 B7R0.7 CCC[C@H](N)CCO CS-0152589 [0,2,0,0,0,0|2,0,0]=4 501 B7R0.7 COCC(=O)COC CS-W007070 [0,2,0,0,0,0|0,0,2]=4 502 B7R0.7 COCC(N)COC CS-W005488 [0,2,0,0,0,0|1,0,0]=3 503 B7R0.7 COCC(O)COC CS-W018661 [0,2,0,0,0,0|0,0,0]=2 504 B7R0.7 OCCC(O)CCO CS-0469963 [0,2,0,0,0,0|0,0,0]=2 505 B7R0.10 C=CC(O)C(O)C=C CS-0063395 [0,2,0,0,0,0|1,0,1]=4 506 B7R0.10 CC[C@@H](O)C(=O)OC CS-0099841 [0,2,0,0,0,0|1,0,1]=4 507 B7R0.10 CC[C@H](O)C(=O)OC CS-0138542 [0,2,0,0,0,0|1,0,1]=4 508 B7R0.10 COC(=O)C(Br)CO CS-0187469 [0,2,0,0,0,0|1,0,1]=4 509 B7R0.10 COC(=O)C(C)CO CS-0697290 [0,2,0,0,0,0|1,0,1]=4 510 B7R0.10 COC(=O)C(N)CO CS-W014338 [0,2,0,0,0,0|1,0,1]=4 511 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,2,0,0,0,0|1,0,1]=4 512 B7R0.10 COC(=O)C(O)CO CS-0454216 [0,2,0,0,0,0|0,0,1]=3 513 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,2,0,0,0,0|1,0,1]=4 514 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [0,2,0,0,0,0|1,0,1]=4 515 B7R0.10 COC(=O)[C@@H](O)CN CS-0131698 [0,2,0,0,0,0|1,0,1]=4 516 B7R0.10 COC(=O)[C@@H](O)CO CS-W000794 [0,2,0,0,0,0|0,0,1]=3 517 B7R0.10 COC(=O)[C@H](C)CO CS-0019967 [0,2,0,0,0,0|1,0,1]=4 518 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,2,0,0,0,0|0,0,1]=3 519 B7R0.10 NC(CO)C(=O)NO CS-0142371 [0,2,0,0,0,0|1,0,1]=4 520 B7R0.10 O=C[C@H](O)[C@H](O)CO CS-0066906 [0,2,0,0,0,0|0,0,0]=2 521 B7R0.10 OC(CCl)C(O)CCl CS-0179539 [0,2,0,0,0,0|1,0,0]=3 522 B7R0.10 OC[C@H](O)[C@H](O)CO CS-0019695 [0,2,0,0,0,0|0,0,0]=2 523 B7R0.10 OC[C@H](O)[C@H](O)CO CS-0890220 [0,2,0,0,0,0|0,0,0]=2 524 B7R0.10 OC\C(Br)=C(/Br)CO CS-0137360 [0,2,0,0,0,0|1,0,1]=4 525 B7R0.10 O[C@H](CS)[C@@H](O)CS CS-3034 [0,2,0,0,0,0|0,1,0]=3 526 B7R0.10 O[C@H](CS)[C@H](O)CS CS-3035 [0,2,0,0,0,0|0,1,0]=3 527 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [0,2,0,0,0,0|1,0,1]=4 528 B7R0.10 [C@H](C)(CC)[C@H](N)CO CS-W016591 [0,2,0,0,0,0|2,0,0]=4 529 B7R0.12 CCC(\C=N\O)CC CS-0849967 [0,2,0,0,0,0|2,0,0]=4 530 B7R0.12 CCCC(CO)CO CS-W011220 [0,2,0,0,0,0|1,0,0]=3 531 B7R0.12 COCC(OC)OC CS-0150200 [0,2,0,0,0,0|2,0,0]=4 532 B7R0.13 CC(C)(CO)C(=O)O CS-W011224 [0,2,0,0,0,0|1,0,1]=4 533 B7R0.13 CCC(C)(O)C(=O)O CS-W016590 [0,2,0,0,0,0|1,0,1]=4 534 B7R0.13 C[C@@](N)(CO)C(=O)O CS-0136603 [0,2,0,0,0,0|1,0,1]=4 535 B7R0.13 C[C@@](O)(CBr)C(=O)O CS-W017072 [0,2,0,0,0,0|1,0,1]=4 536 B7R0.13 C[C@](N)(CO)C(=O)O CS-W008467 [0,2,0,0,0,0|1,0,1]=4 537 B7R0.13 C[C@](O)(CBr)C(=O)O CS-W019154 [0,2,0,0,0,0|1,0,1]=4 538 B7R0.14 CC(C)(C)C(N)CO CS-0072424 [0,2,0,0,0,0|2,0,0]=4 539 B7R0.14 CC(C)(O)[C@H](F)CN CS-0084788 [0,2,0,0,0,0|2,0,0]=4 540 B7R0.14 CC(CO)C(F)(F)F CS-W021786 [0,2,0,0,0,0|2,0,0]=4 541 B7R0.14 NC(CO)C(F)(F)F CS-0167664 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.14 NCC(O)C(F)(F)F CS-B1216 [0,2,0,0,0,0|2,0,0]=4 543 B7R0.14 N[C@@H](CO)C(F)(F)F CS-0139764 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.14 N[C@H](CO)C(F)(F)F CS-0101705 [0,2,0,0,0,0|2,0,0]=4 545 B7R0.14 OCC(Br)C(F)(F)F CS-0145742 [0,2,0,0,0,0|2,0,0]=4 546 B7R0.14 OCC(O)C(F)(F)F CS-0138549 [0,2,0,0,0,0|1,0,0]=3 547 B7R0.14 [C@@H](N)(CO)C(C)(C)C CS-W005274 [0,2,0,0,0,0|2,0,0]=4 548 B7R0.14 [C@H](N)(CO)C(C)(C)C CS-W008332 [0,2,0,0,0,0|2,0,0]=4 549 B7R0.15 CC(C)C(CN)CO CS-0144311 [0,2,0,0,0,0|2,0,0]=4 550 B7R0.15 O=C(O)C(CBr)CBr CS-0003905 [0,2,0,0,0,0|2,0,0]=4 551 B7R0.15 [C@@H](CO)(NC)C(=O)O CS-W013588 [0,2,0,0,0,0|1,0,1]=4 552 B7R0.16 CC(C)C(O)C(=O)O CS-W008150 [0,2,0,0,0,0|1,0,1]=4 553 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [0,2,0,0,0,0|1,0,1]=4 554 B7R0.16 CC(C)[C@H](O)C(=O)O CS-0000171 [0,2,0,0,0,0|1,0,1]=4 555 B7R0.16 CC(O)C(C)C(=O)O CS-0116129 [0,2,0,0,0,0|1,0,1]=4 556 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CS-W001959 [0,2,0,0,0,0|1,0,1]=4 557 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-W020046 [0,2,0,0,0,0|1,0,1]=4 558 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CS-W013590 [0,2,0,0,0,0|1,0,1]=4 559 B7R0.16 O=C(O)C(O)C(=O)O CS-W013581 [0,2,0,0,0,0|0,0,2]=4 560 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O CS-W008315 [0,2,0,0,0,0|1,0,1]=4 561 B7R0.18 CCC(N)(CO)CO CS-0089934 [0,2,0,0,0,0|1,0,0]=3 562 B7R0.18 NC(CO)(CO)CO CS-0015190 [0,2,0,0,0,0|0,0,0]=2 563 B7R0.18 NC(CO)(CO)CO CS-0201542 [0,2,0,0,0,0|0,0,0]=2 564 B7R0.18 NC(CO)(CO)CO CS-0201545 [0,2,0,0,0,0|0,0,0]=2 565 B7R0.18 NC(CO)(CO)CO CS-0201546 [0,2,0,0,0,0|0,0,0]=2 566 B7R0.18 NC(CO)(CO)CO CS-W009054 [0,2,0,0,0,0|0,0,0]=2 567 B7R0.18 NC(CO)(CO)CO CS-W018524 [0,2,0,0,0,0|0,0,0]=2 568 B5R1.2 BrC1CCC1 CS-0044363 [1,0,0,1,0,0|2,0,0]=4 569 B5R1.2 BrC1CNC1 CS-0051440 [1,0,0,1,0,0|2,0,0]=4 570 B5R1.2 BrC1COC1 CS-D1251 [1,0,0,1,0,0|1,0,0]=3 571 B5R1.2 CC1CCN1 CS-0051841 [1,0,0,1,0,0|2,0,0]=4 572 B5R1.2 CC1CNC1 CS-W019342 [1,0,0,1,0,0|2,0,0]=4 573 B5R1.2 C[C@@H]1CCN1 CS-0100346 [1,0,0,1,0,0|2,0,0]=4 574 B5R1.2 ClC1CNC1 CS-0051403 [1,0,0,1,0,0|2,0,0]=4 575 B5R1.2 FC1CNC1 CS-W001606 [1,0,0,1,0,0|2,0,0]=4 576 B5R1.2 IC1COC1 CS-W017022 [1,0,0,1,0,0|1,0,0]=3 577 B5R1.2 NC1CCC1 CS-0006655 [1,0,0,1,0,0|2,0,0]=4 578 B5R1.2 NC1CNC1 CS-W022573 [1,0,0,1,0,0|2,0,0]=4 579 B5R1.2 NC1COC1 CS-W018946 [1,0,0,1,0,0|1,0,0]=3 580 B5R1.2 NC1CSC1 CS-0045517 [1,0,0,1,0,0|1,1,0]=4 581 B5R1.2 O=C1COC1 CS-M1912 [1,0,0,1,0,0|0,0,2]=4 582 B5R1.2 OC1CCC1 CS-W013758 [1,0,0,1,0,0|1,0,0]=3 583 B5R1.2 OC1CNC1 CS-0084651 [1,0,0,1,0,0|1,0,0]=3 584 B5R1.2 OC1CNC1 CS-D0673 [1,0,0,1,0,0|1,0,0]=3 585 B5R1.2 OC1COC1 CS-W007362 [1,0,0,1,0,0|0,0,0]=2 586 B5R1.2 OC1CSC1 CS-0045447 [1,0,0,1,0,0|0,1,0]=3 587 B5R1.3 BrCC1CC1 CS-W020194 [1,0,0,1,0,0|2,0,0]=4 588 B5R1.3 ClCC1CS1 CS-0232950 [1,0,0,1,0,0|1,1,0]=4 589 B5R1.3 ICC1CC1 CS-0056033 [1,0,0,1,0,0|2,0,0]=4 590 B5R1.3 NCC1CC1 CS-0132848 [1,0,0,1,0,0|2,0,0]=4 591 B5R1.3 OCC1CO1 CS-0016001 [1,0,0,1,0,0|0,0,0]=2 592 B5R1.4 N[C@@H]1C[C@@H]1F CS-0101187 [1,0,0,1,0,0|2,0,0]=4 593 B5R1.4 N[C@@H]1C[C@H]1F CS-0143339 [1,0,0,1,0,0|2,0,0]=4 594 B5R1.4 N[C@H]1C[C@H]1F CS-0143340 [1,0,0,1,0,0|2,0,0]=4 595 B5R1.5 CC1(N)CC1 CS-W003769 [1,0,0,1,0,0|2,0,0]=4 596 B5R1.1 C1CCNC1 CS-0162629 [1,0,0,1,0,0|2,0,0]=4 597 B5R1.1 C1CNNC1 CS-0210819 [1,0,0,1,0,0|2,0,0]=4 598 B5R1.1 C1CNOC1 CS-0179756 [1,0,0,1,0,0|1,0,0]=3 599 B7R1.1 BrCC1CCOC1 CS-W004268 [0,1,0,1,0,0|2,0,0]=4 600 B7R1.1 BrCC1OCCO1 CS-W021428 [0,1,0,1,0,0|2,0,0]=4 601 B7R1.1 C#CC1CCOC1 CS-0170800 [0,1,0,1,0,0|2,0,0]=4 602 B7R1.1 CN[C@H]1CCOC1 CS-0053255 [0,1,0,1,0,0|2,0,0]=4 603 B7R1.1 COC1CCNC1 CS-0039937 [0,1,0,1,0,0|2,0,0]=4 604 B7R1.1 COC1CCNC1 CS-W004880 [0,1,0,1,0,0|2,0,0]=4 605 B7R1.1 CO[C@@H]1CCNC1 CS-0053757 [0,1,0,1,0,0|2,0,0]=4 606 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,1,0,1,0,0|2,0,0]=4 607 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,1,0,1,0,0|2,0,0]=4 608 B7R1.1 ClCC1OCCO1 CS-0137170 [0,1,0,1,0,0|2,0,0]=4 609 B7R1.1 ICC1CCOC1 CS-W004269 [0,1,0,1,0,0|2,0,0]=4 610 B7R1.1 N#CC1CCOC1 CS-W004270 [0,1,0,1,0,0|2,0,0]=4 611 B7R1.1 NCC1CCOC1 CS-W004787 [0,1,0,1,0,0|2,0,0]=4 612 B7R1.1 NC[C@@H]1CCCO1 CS-0438150 [0,1,0,1,0,0|2,0,0]=4 613 B7R1.1 NC[C@@H]1CCCO1 CS-W011316 [0,1,0,1,0,0|2,0,0]=4 614 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [0,1,0,1,0,0|2,0,0]=4 615 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [0,1,0,1,0,0|2,0,0]=4 616 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.1 O=CC1CCOC1 CS-W004272 [0,1,0,1,0,0|1,0,1]=4 618 B7R1.1 OCC1CC=CC1 CS-W003141 [0,1,0,1,0,0|2,0,0]=4 619 B7R1.1 OCC1CCCC1 CS-W001923 [0,1,0,1,0,0|2,0,0]=4 620 B7R1.1 OCC1CCCN1 CS-W007622 [0,1,0,1,0,0|2,0,0]=4 621 B7R1.1 OCC1CCNC1 CS-W019882 [0,1,0,1,0,0|2,0,0]=4 622 B7R1.1 OCC1CCOC1 CS-D1159 [0,1,0,1,0,0|1,0,0]=3 623 B7R1.1 OCC1OCCO1 CS-W019186 [0,1,0,1,0,0|1,0,0]=3 624 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,1,0,1,0,0|2,0,0]=4 625 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,1,0,1,0,0|1,0,0]=3 626 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,1,0,1,0,0|2,0,0]=4 627 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,1,0,1,0,0|2,0,0]=4 629 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,1,0,1,0,0|2,0,0]=4 630 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [0,1,0,1,0,0|1,0,0]=3 631 B7R1.2 CN1CCC(O)C1 CS-M2838 [0,1,0,1,0,0|2,0,0]=4 632 B7R1.2 CN1CC[C@H](O)C1 CS-W003109 [0,1,0,1,0,0|2,0,0]=4 633 B7R1.2 C[C@@H]1C[C@H](O)CN1 CS-0053223 [0,1,0,1,0,0|2,0,0]=4 634 B7R1.2 C[C@H]1C[C@@H](O)CN1 CS-0053292 [0,1,0,1,0,0|2,0,0]=4 635 B7R1.2 NC1CCC(O)C1 CS-0083804 [0,1,0,1,0,0|2,0,0]=4 636 B7R1.2 NC1CCC(O)C1 CS-W005211 [0,1,0,1,0,0|2,0,0]=4 637 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-0053617 [0,1,0,1,0,0|2,0,0]=4 638 B7R1.2 N[C@@H]1CC[C@@H](O)C1 CS-W018626 [0,1,0,1,0,0|2,0,0]=4 639 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0044036 [0,1,0,1,0,0|2,0,0]=4 640 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [0,1,0,1,0,0|2,0,0]=4 641 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,1,0,1,0,0|1,0,1]=4 642 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-0062467 [0,1,0,1,0,0|2,0,0]=4 643 B7R1.2 N[C@H]1CC[C@@H](O)C1 CS-B1526 [0,1,0,1,0,0|2,0,0]=4 644 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0053559 [0,1,0,1,0,0|2,0,0]=4 645 B7R1.2 N[C@H]1CC[C@H](O)C1 CS-0131617 [0,1,0,1,0,0|2,0,0]=4 646 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,1,0,1,0,0|1,0,1]=4 647 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,1,0,1,0,0|1,0,1]=4 648 B7R1.2 O=C1CCC(O)C1 CS-0051334 [0,1,0,1,0,0|1,0,1]=4 649 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,1,0,1,0,0|1,0,1]=4 650 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [0,1,0,1,0,0|1,0,1]=4 651 B7R1.2 OC1CCC(O)C1 CS-0049625 [0,1,0,1,0,0|1,0,0]=3 652 B7R1.2 O[C@@H]1C=C[C@H](O)C1 CS-0056064 [0,1,0,1,0,0|1,0,1]=4 653 B7R1.2 O[C@@H]1CC[C@@H](O)C1 CS-0056775 [0,1,0,1,0,0|1,0,0]=3 654 B7R1.2 [C@@H]1(O)CCN(C)C1 CS-W013705 [0,1,0,1,0,0|2,0,0]=4 655 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,1,0,1,0,0|0,0,1]=3 656 B7R1.3 BrC1CCCOC1 CS-W019418 [0,1,0,1,0,0|2,0,0]=4 657 B7R1.3 BrC1CCOCC1 CS-W003396 [0,1,0,1,0,0|2,0,0]=4 658 B7R1.3 CC1CCOCC1 CS-0233092 [0,1,0,1,0,0|2,0,0]=4 659 B7R1.3 CC1CCOCO1 CS-0181838 [0,1,0,1,0,0|2,0,0]=4 660 B7R1.3 CC1COCCN1 CS-W009058 [0,1,0,1,0,0|2,0,0]=4 661 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,1,0,1,0,0|2,0,0]=4 662 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,1,0,1,0,0|2,0,0]=4 663 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,1,0,1,0,0|2,0,0]=4 664 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,1,0,1,0,0|2,0,0]=4 665 B7R1.3 ClC1CCOCC1 CS-W016579 [0,1,0,1,0,0|2,0,0]=4 666 B7R1.3 IC1CCOCC1 CS-W004278 [0,1,0,1,0,0|2,0,0]=4 667 B7R1.3 NC1CCCOC1 CS-0044162 [0,1,0,1,0,0|2,0,0]=4 668 B7R1.3 NC1CCCOC1 CS-0069616 [0,1,0,1,0,0|2,0,0]=4 669 B7R1.3 NC1CCOCC1 CS-B0654 [0,1,0,1,0,0|2,0,0]=4 670 B7R1.3 NC1CCOCC1 CS-W002372 [0,1,0,1,0,0|2,0,0]=4 671 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,1,0,1,0,0|2,0,0]=4 672 B7R1.3 OC1CC=CCC1 CS-0161778 [0,1,0,1,0,0|2,0,0]=4 673 B7R1.3 OC1CCCCC1 CS-0017198 [0,1,0,1,0,0|2,0,0]=4 674 B7R1.3 OC1CCCCO1 CS-0015921 [0,1,0,1,0,0|2,0,0]=4 675 B7R1.3 OC1CCCNC1 CS-D1393 [0,1,0,1,0,0|2,0,0]=4 676 B7R1.3 OC1CCCNC1 CS-W013706 [0,1,0,1,0,0|2,0,0]=4 677 B7R1.3 OC1CCCOC1 CS-D1560 [0,1,0,1,0,0|1,0,0]=3 678 B7R1.3 OC1CCNCC1 CS-W002165 [0,1,0,1,0,0|2,0,0]=4 679 B7R1.3 OC1CCNCC1 CS-W004328 [0,1,0,1,0,0|2,0,0]=4 680 B7R1.3 OC1CCOCC1 CS-W004264 [0,1,0,1,0,0|1,0,0]=3 681 B7R1.3 OC1CCSCC1 CS-D1275 [0,1,0,1,0,0|1,1,0]=4 682 B7R1.3 OC1CNCCO1 CS-W006148 [0,1,0,1,0,0|2,0,0]=4 683 B7R1.3 OC1COCOC1 CS-W016639 [0,1,0,1,0,0|0,0,0]=2 684 B7R1.3 O[C@@H]1CCCNC1 CS-0053770 [0,1,0,1,0,0|2,0,0]=4 685 B7R1.3 O[C@H]1CCCNC1 CS-0029964 [0,1,0,1,0,0|2,0,0]=4 686 B7R1.3 O[C@H]1CCCNC1 CS-W003070 [0,1,0,1,0,0|2,0,0]=4 687 B7R1.3 [C@@H]1(N)CCCOC1 CS-W006989 [0,1,0,1,0,0|2,0,0]=4 688 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,1,0,1,0,0|2,0,0]=4 689 B7R1.4 CC1OCCC1S CS-W013594 [0,1,0,1,0,0|1,1,0]=4 690 B7R1.4 C[C@H]1CNC[C@@H]1O CS-0035605 [0,1,0,1,0,0|2,0,0]=4 691 B7R1.4 N[C@@H]1CCC[C@@H]1O CS-W003557 [0,1,0,1,0,0|2,0,0]=4 692 B7R1.4 N[C@@H]1CCC[C@H]1O CS-0130454 [0,1,0,1,0,0|2,0,0]=4 693 B7R1.4 N[C@@H]1CCC[C@H]1O CS-W008557 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049652 [0,1,0,1,0,0|2,0,0]=4 695 B7R1.4 N[C@H]1CCC[C@@H]1O CS-W004139 [0,1,0,1,0,0|2,0,0]=4 696 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,1,0,1,0,0|2,0,0]=4 697 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [0,1,0,1,0,0|1,0,0]=3 698 B7R1.4 N[C@H]1COC[C@@H]1O CS-0047593 [0,1,0,1,0,0|1,0,0]=3 699 B7R1.4 O=C1OCCC1O CS-W013699 [0,1,0,1,0,0|0,0,2]=4 700 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [0,1,0,1,0,0|0,0,2]=4 701 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,1,0,1,0,0|1,0,0]=3 702 B7R1.4 O[C@@H]1CNC[C@@H]1F CS-0047354 [0,1,0,1,0,0|2,0,0]=4 703 B7R1.4 O[C@@H]1CNC[C@H]1F CS-0054190 [0,1,0,1,0,0|2,0,0]=4 704 B7R1.4 O[C@@H]1CNC[C@H]1O CS-0053303 [0,1,0,1,0,0|1,0,0]=3 705 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0042168 [0,1,0,1,0,0|2,0,0]=4 706 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0058680 [0,1,0,1,0,0|2,0,0]=4 707 B7R1.4 O[C@H]1CNC[C@H]1O CS-W022618 [0,1,0,1,0,0|1,0,0]=3 708 B7R1.4 O[C@H]1COC[C@H]1O CS-0049648 [0,1,0,1,0,0|0,0,0]=2 709 B7R1.4 [C@H]1(O)CNC[C@@H]1O CS-W005107 [0,1,0,1,0,0|1,0,0]=3 710 B7R1.6 COCC1CNC1 CS-W023140 [0,1,0,1,0,0|2,0,0]=4 711 B7R1.6 NOCC1CCC1 CS-0145228 [0,1,0,1,0,0|2,0,0]=4 712 B7R1.6 OCCC1COC1 CS-0052216 [0,1,0,1,0,0|1,0,0]=3 713 B7R1.8 CN1CC[C@@H]1CO CS-0172773 [0,1,0,1,0,0|2,0,0]=4 714 B7R1.9 OC[C@H]1C[C@H]1CO CS-0053077 [0,1,0,1,0,0|1,0,0]=3 715 B7R1.10 C=C1CC(CO)C1 CS-0185403 [0,1,0,1,0,0|2,0,0]=4 716 B7R1.10 CC1CC(CO)C1 CS-0215900 [0,1,0,1,0,0|2,0,0]=4 717 B7R1.10 CN1CC(CO)C1 CS-0053643 [0,1,0,1,0,0|2,0,0]=4 718 B7R1.10 N[C@H]1C[C@@H](CO)C1 CS-0049714 [0,1,0,1,0,0|2,0,0]=4 719 B7R1.10 O=C1CC(CO)C1 CS-0045541 [0,1,0,1,0,0|1,0,1]=4 720 B7R1.10 OCC1CC(Cl)C1 CS-0044084 [0,1,0,1,0,0|2,0,0]=4 721 B7R1.10 OCC1CC(O)C1 CS-0186717 [0,1,0,1,0,0|1,0,0]=3 722 B7R1.22 CCC(O)C1CC1 CS-0052573 [0,1,0,1,0,0|2,0,0]=4 723 B7R1.22 NC(CO)C1CC1 CS-0075143 [0,1,0,1,0,0|2,0,0]=4 724 B7R1.22 NCC(O)C1CC1 CS-0128611 [0,1,0,1,0,0|2,0,0]=4 725 B7R1.22 N[C@@H](CO)C1CC1 CS-0111762 [0,1,0,1,0,0|2,0,0]=4 726 B7R1.22 N[C@H](CO)C1CC1 CS-0173226 [0,1,0,1,0,0|2,0,0]=4 727 B7R1.25 C#CC1(O)COC1 CS-0051375 [0,1,0,1,0,0|1,0,1]=4 728 B7R1.25 CC1(CBr)COC1 CS-W002970 [0,1,0,1,0,0|2,0,0]=4 729 B7R1.25 CC1(CI)COC1 CS-0051679 [0,1,0,1,0,0|2,0,0]=4 730 B7R1.25 CC1(CN)COC1 CS-W008726 [0,1,0,1,0,0|2,0,0]=4 731 B7R1.25 CC1(CO)CCC1 CS-0072446 [0,1,0,1,0,0|2,0,0]=4 732 B7R1.25 CC1(CO)COC1 CS-W007726 [0,1,0,1,0,0|1,0,0]=3 733 B7R1.25 N#CC1(O)COC1 CS-0377041 [0,1,0,1,0,0|1,0,1]=4 734 B7R1.25 NC1(CO)CCC1 CS-0053661 [0,1,0,1,0,0|2,0,0]=4 735 B7R1.25 NC1(CO)COC1 CS-0040896 [0,1,0,1,0,0|1,0,0]=3 736 B7R1.25 NCC1(O)CCC1 CS-W005666 [0,1,0,1,0,0|2,0,0]=4 737 B7R1.25 NCC1(O)COC1 CS-0051726 [0,1,0,1,0,0|1,0,0]=3 738 B7R1.18 CC(O)C1CCC1 CS-W006217 [0,1,0,1,0,0|2,0,0]=4 739 B7R1.18 O=C(O)C1CCO1 CS-W006382 [0,1,0,1,0,0|1,0,1]=4 740 B7R1.18 O=C(O)[C@@H]1CCO1 CS-0148269 [0,1,0,1,0,0|1,0,1]=4 741 B7R1.19 O=C(O)C1(O)CC1 CS-W011313 [0,1,0,1,0,0|1,0,1]=4 742 B7R1.14 CC1(N)CCOC1 CS-0184318 [0,1,0,1,0,0|2,0,0]=4 743 B7R1.14 CC1(O)CCNC1 CS-W001685 [0,1,0,1,0,0|2,0,0]=4 744 B7R1.14 CC1(O)CCNC1 CS-W021967 [0,1,0,1,0,0|2,0,0]=4 745 B7R1.14 C[C@@]1(O)CCNC1 CS-0053323 [0,1,0,1,0,0|2,0,0]=4 746 B7R1.14 C[C@@]1(O)CCNC1 CS-0183805 [0,1,0,1,0,0|2,0,0]=4 747 B7R1.14 C[C@]1(O)CCNC1 CS-0053259 [0,1,0,1,0,0|2,0,0]=4 748 B7R1.29 COC1(CN)CC1 CS-0085230 [0,1,0,1,0,0|2,0,0]=4 749 B7R1.29 COC1(CO)CC1 CS-0138990 [0,1,0,1,0,0|1,0,0]=3 750 B7R1.29 N#CC1(CO)CC1 CS-D0565 [0,1,0,1,0,0|2,0,0]=4 751 B7R1.29 NCC1(CO)CC1 CS-0072215 [0,1,0,1,0,0|2,0,0]=4 752 B7R1.29 OCC1(CO)CC1 CS-W002626 [0,1,0,1,0,0|1,0,0]=3 753 B7R2.13 C1=CC2OC2C1 CS-0670603 [0,0,0,2,0,0|2,0,0]=4 754 B7R2.13 C1OCC2OC12 CS-W016680 [0,0,0,2,0,0|1,0,0]=3