0 B5R0.3 C=CC(=O)NC CS-0134564 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=CC(O)C=C CS-0064552 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 C=CC(O)CO CS-W016675 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 C=C[C@@H](N)CO CS-0089925 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 C=C[C@H](N)CO CS-0088065 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 CC(CBr)CBr CS-0154074 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CC(CCl)CBr CS-0204235 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 CC(CN)CO CS-0447291 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.3 CC(CO)CBr CS-0139638 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.3 CC(CO)CO CS-0021060 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.3 CCC(=N)NO CS-D0340 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.3 CCC(=O)CBr CS-0131119 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.3 CCC(=O)CN CS-W005374 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 CCC(=O)CO CS-W005327 [0,0,0,0,0,0|1,0,3]=4 14 B5R0.3 CCC(=O)NC CS-0179730 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.3 CCC(=O)NN CS-0206618 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 CCC(=O)O[K] CS-0019431 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 CCC(=O)O[Na] CS-0013802 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 CCC(Br)CC CS-0015742 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.3 CCC(C)C#N CS-0648856 [0,0,0,0,0,0|1,0,1]=2 20 B5R0.3 CCC(C)C#N CS-0649016 [0,0,0,0,0,0|1,0,1]=2 21 B5R0.3 CCC(C)C#N CS-0649019 [0,0,0,0,0,0|1,0,1]=2 22 B5R0.3 CCC(N)C#N CS-0197521 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.3 CCC(N)CC CS-0128806 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.3 CCC(O)CC CS-0128838 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.3 CCC(O)CN CS-0109319 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.3 CCS(=O)CC CS-0199213 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.3 CCS(=O)O[Na] CS-0020098 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.3 CC[C@@H](C)CBr CS-0539690 [0,0,0,0,0,0|1,0,1]=2 29 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,0,0,0,0,0|1,0,2]=3 30 B5R0.3 CC[C@H](C)CO CS-0139702 [0,0,0,0,0,0|0,0,2]=2 31 B5R0.3 CC[C@H](N)CO CS-W013745 [0,0,0,0,0,0|1,0,2]=3 32 B5R0.3 CC[C@H](O)CO CS-0031373 [0,0,0,0,0,0|1,0,2]=3 33 B5R0.3 CNC(C)CO CS-0197105 [0,0,0,0,0,0|1,0,2]=3 34 B5R0.3 CN[C@@H](C)CO CS-0139480 [0,0,0,0,0,0|1,0,2]=3 35 B5R0.3 CN[C@@H](C)CO CS-0162089 [0,0,0,0,0,0|1,0,2]=3 36 B5R0.3 CN[C@H](C)CO CS-0162211 [0,0,0,0,0,0|1,0,2]=3 37 B5R0.3 COC(C)C#N CS-0372147 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.3 CON(C)C=O CS-0128675 [0,0,0,0,0,0|2,0,0]=2 39 B5R0.3 CO[C@@H](C)CN CS-W021167 [0,0,0,0,0,0|2,0,1]=3 40 B5R0.3 CO[C@@H](C)CO CS-0096324 [0,0,0,0,0,0|1,0,2]=3 41 B5R0.3 CO[C@H](C)CN CS-0148788 [0,0,0,0,0,0|2,0,1]=3 42 B5R0.3 CO[C@H](C)CN CS-0613352 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.3 CO[C@H](C)CO CS-W011349 [0,0,0,0,0,0|1,0,2]=3 44 B5R0.3 C[C@@H](CO)CBr CS-0101486 [0,0,0,0,0,0|1,0,2]=3 45 B5R0.3 NC(CO)CO CS-W007357 [0,0,0,0,0,0|2,0,2]=4 46 B5R0.3 NC(CO)CO CS-W011141 [0,0,0,0,0,0|2,0,2]=4 47 B5R0.3 NCC(O)CCl CS-W006320 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.3 NCC(O)CN CS-W007600 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.3 NCC(O)CO CS-W002040 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.3 NC[C@@H](F)CO CS-0053486 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.3 NC[C@@H](O)CCl CS-0162224 [0,0,0,0,0,0|3,0,1]=4 52 B5R0.3 NC[C@@H](O)CO CS-W002683 [0,0,0,0,0,0|2,0,2]=4 53 B5R0.3 NC[C@H](F)CO CS-0053431 [0,0,0,0,0,0|2,0,2]=4 54 B5R0.3 NC[C@H](O)CCl CS-W021152 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.3 O=CC(O)CO CS-0102543 [0,0,0,0,0,0|2,0,0]=2 56 B5R0.3 OC(CBr)CBr CS-W014808 [0,0,0,0,0,0|3,0,1]=4 57 B5R0.3 OCC(Cl)CO CS-0640889 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.3 OCC(O)CBr CS-W018026 [0,0,0,0,0,0|2,0,2]=4 59 B5R0.3 OCC(O)CO CS-6964 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.3 OCC(O)CS CS-W011288 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.3 OCC(S)CS CS-0013059 [0,0,0,0,0,0|2,0,2]=4 62 B5R0.3 OC[C@@H](O)CCl CS-W018500 [0,0,0,0,0,0|2,0,2]=4 63 B5R0.3 [C@@H](O)(CC)CO CS-W005888 [0,0,0,0,0,0|1,0,2]=3 64 B5R0.3 [C@H](O)(CN)CO CS-W017771 [0,0,0,0,0,0|2,0,2]=4 65 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [0,0,0,0,0,0|2,0,2]=4 66 B4R0.1 C#CC(C)N CS-0072301 [1,0,0,0,0,0|1,0,2]=4 67 B4R0.1 C#C[C@H](C)N CS-0147130 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.1 C#C[C@H](C)O CS-0127970 [1,0,0,0,0,0|0,0,3]=4 69 B4R0.1 C(=O)C(=O)O CS-0031458 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 C=C(Br)CBr CS-0132263 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 C=C(C)CN CS-0204398 [1,0,0,0,0,0|1,0,1]=3 72 B4R0.1 C=CC(C)N CS-0173225 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 CC(=O)C=O CS-0031856 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.1 CC(=O)CN CS-W004850 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.1 CC(=O)CO CS-0017823 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.1 CC(=O)NBr CS-0142503 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 CC(=O)NN CS-D1403 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 CC(=O)NO CS-4881 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 CC(=O)O[Ag] CS-0082496 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 CC(=O)O[K] CS-W020131 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 CC(Br)C#N CS-0020094 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.1 CC(Br)CO CS-0061061 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.1 CC(C)=NO CS-W009556 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.1 CC(C)CN CS-0154223 [1,0,0,0,0,0|1,0,1]=3 85 B4R0.1 CC(C)CN CS-0214073 [1,0,0,0,0,0|1,0,1]=3 86 B4R0.1 CC(C)NO CS-W022923 [1,0,0,0,0,0|1,0,1]=3 87 B4R0.1 CC(C)ON CS-W008733 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 CC(N)C#N CS-0095478 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 CC(N)CCl CS-0161780 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 CC(N)CF CS-0107816 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 CC(N)CO CS-W018531 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.1 CC(O)CBr CS-0063182 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.1 CC(O)CN CS-W016685 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.1 CC(O)CO CS-0015917 [1,0,0,0,0,0|1,0,1]=3 95 B4R0.1 CCB(O)O CS-W000933 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.1 CCC(=N)N CS-W019290 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 CCC(=N)S CS-W016672 [1,0,0,0,0,0|1,1,1]=4 98 B4R0.1 CCC(N)=O CS-W016688 [1,0,0,0,0,0|1,0,1]=3 99 B4R0.1 CC[C@@H](C)N CS-0379054 [1,0,0,0,0,0|1,0,0]=2 100 B4R0.1 CC[C@@H](C)O CS-0128797 [1,0,0,0,0,0|0,0,1]=2 101 B4R0.1 CC[C@H](C)N CS-0084847 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.1 CNC(C)=O CS-0031873 [1,0,0,0,0,0|1,0,1]=3 103 B4R0.1 CNC(N)=O CS-W016687 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.1 CNN(C)C CS-M2145 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.1 COC(N)=O CS-0017839 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.1 CS(=O)O[Na] CS-0019422 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.1 C[C@@H](Cl)CO CS-0186126 [1,0,0,0,0,0|2,0,0]=3 108 B4R0.1 C[C@@H](N)CF CS-0104382 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.1 C[C@@H](N)CN CS-W018220 [1,0,0,0,0,0|2,0,0]=3 110 B4R0.1 C[C@@H](N)CO CS-W011362 [1,0,0,0,0,0|2,0,0]=3 111 B4R0.1 C[C@@H](O)CN CS-W002295 [1,0,0,0,0,0|1,0,1]=3 112 B4R0.1 C[C@@H](O)CO CS-W020032 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.1 C[C@H](N)CF CS-0090252 [1,0,0,0,0,0|2,0,0]=3 114 B4R0.1 C[C@H](N)CO CS-B1303 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.1 C[C@H](O)CN CS-W019029 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.1 C[C@H](O)CO CS-0011520 [1,0,0,0,0,0|1,0,1]=3 117 B4R0.1 NC(=O)CBr CS-W007330 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.1 NC(=O)CI CS-0020050 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.1 NC(=O)CO CS-W016686 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.1 NCC(=O)O CS-0158475 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.1 NCC(=O)O CS-0187433 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.1 NCC(=O)O CS-B1641 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.1 NCC(F)F CS-0121259 [1,0,0,0,0,0|3,0,0]=4 124 B4R0.1 NCC(N)=O CS-0149938 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.1 NCC(N)=O CS-W019695 [1,0,0,0,0,0|2,0,1]=4 126 B4R0.1 O=CC(=O)O CS-W019807 [1,0,0,0,0,0|2,0,1]=4 127 B4R0.1 O=C[Pb](=O)O CS-B1715 [1,0,0,0,0,0|3,0,0]=4 128 B4R0.1 [C@@H](C)(Cl)CO CS-W016664 [1,0,0,0,0,0|2,0,0]=3 129 B4R0.1 [C@@H](C)(N)CN CS-W008537 [1,0,0,0,0,0|2,0,0]=3 130 B4R0.1 [C@H](C)(O)CCl CS-W005784 [1,0,0,0,0,0|1,0,1]=3 131 B4R0.2 BrCCCI CS-0199040 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.2 C#CCCBr CS-0147245 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.2 C#CCCI CS-0088596 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.2 C#CCCN CS-0059198 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.2 C#CCCO CS-W001947 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.2 C=CCCI CS-0139149 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.2 C=CCCN CS-0028781 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.2 C=CCNN CS-0465740 [1,0,0,0,0,0|3,0,0]=4 139 B4R0.2 C=CCON CS-0010194 [1,0,0,0,0,0|3,0,0]=4 140 B4R0.2 CCCCN CS-0214149 [1,0,0,0,0,0|1,0,1]=3 141 B4R0.2 CCCNN CS-0152064 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.2 CCNC=O CS-0187584 [1,0,0,0,0,0|1,0,0]=2 143 B4R0.2 CCNCC CS-0160324 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.2 CCOC=N CS-0333913 [1,0,0,0,0,0|2,0,0]=3 145 B4R0.2 CNCC#N CS-W002073 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.2 CNCCBr CS-0042068 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.2 CNCCCl CS-W019383 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.2 CNCCO CS-0542090 [1,0,0,0,0,0|1,0,2]=4 149 B4R0.2 CNCCO CS-W008875 [1,0,0,0,0,0|1,0,2]=4 150 B4R0.2 COCC#N CS-0128800 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.2 COCCBr CS-0015336 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.2 COCCI CS-0139205 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.2 COCCO CS-0179325 [1,0,0,0,0,0|1,0,2]=4 154 B4R0.2 COCCO CS-0200432 [1,0,0,0,0,0|1,0,2]=4 155 B4R0.2 CSCCN CS-0063136 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.2 CSCCO CS-0150086 [1,0,0,0,0,0|1,0,2]=4 157 B4R0.2 CSCSC CS-W013673 [1,0,0,0,0,0|3,0,0]=4 158 B4R0.2 ClCCCI CS-W018493 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.2 FCCCI CS-0121313 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.2 ICCCI CS-W012156 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.2 N#CCCI CS-0243866 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.2 N#CCCN CS-D1507 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.2 N#CCCO CS-W001263 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.2 NCCCBr CS-W008585 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.2 NCCCCl CS-0015792 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.2 NCCCN CS-0214047 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.2 NCCCN CS-0214116 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.2 NCCCO CS-W020089 [1,0,0,0,0,0|1,0,2]=4 169 B4R0.2 NCCON CS-M2746 [1,0,0,0,0,0|3,0,0]=4 170 B4R0.2 NOCCO CS-W011361 [1,0,0,0,0,0|3,0,0]=4 171 B4R0.2 O=COO[Cs] CS-0534192 [1,0,0,0,0,0|3,0,0]=4 172 B4R0.2 O=COO[Cs] CS-W008901 [1,0,0,0,0,0|3,0,0]=4 173 B4R0.2 O=COO[K] CS-0644452 [1,0,0,0,0,0|3,0,0]=4 174 B4R0.2 O=COO[Rb] CS-0146110 [1,0,0,0,0,0|3,0,0]=4 175 B4R0.2 O=C[N-]C=O CS-0170804 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.2 OCCCBr CS-W007337 [1,0,0,0,0,0|1,0,2]=4 177 B4R0.2 OCCCF CS-0170820 [1,0,0,0,0,0|1,0,2]=4 178 B4R0.2 OCCCI CS-W015993 [1,0,0,0,0,0|1,0,2]=4 179 B4R0.2 OCCCO CS-W018490 [1,0,0,0,0,0|1,0,2]=4 180 B4R0.2 [Li]OOC=O CS-0013647 [1,0,0,0,0,0|3,0,0]=4 181 B6R0.1 C#CC(O)CCC CS-W016658 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.1 C=CC(=O)NCC CS-W013719 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.1 C=CCC(N)CO CS-0197807 [0,1,0,0,0,0|3,0,0]=4 184 B6R0.1 C=CC[C@@H](N)CO CS-0162183 [0,1,0,0,0,0|3,0,0]=4 185 B6R0.1 CC(CO)CCN CS-0154050 [0,1,0,0,0,0|0,0,2]=3 186 B6R0.1 CC(CO)CCO CS-0517219 [0,1,0,0,0,0|0,0,2]=3 187 B6R0.1 CCCC(Cl)CC CS-0102884 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.1 CCCC(N)C#N CS-0255763 [0,1,0,0,0,0|2,0,1]=4 189 B6R0.1 CCCC(O)CO CS-0017222 [0,1,0,0,0,0|1,0,2]=4 190 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,1,0,0,0,0|1,0,2]=4 191 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,1,0,0,0,0|1,0,2]=4 192 B6R0.1 CCOC(C)CC CS-0196425 [0,1,0,0,0,0|1,0,1]=3 193 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,1,0,0,0,0|1,0,2]=4 194 B6R0.1 CNC(C)COC CS-0301311 [0,1,0,0,0,0|2,0,0]=3 195 B6R0.1 CNCC(O)CO CS-0151017 [0,1,0,0,0,0|1,0,2]=4 196 B6R0.1 COC(C)CCO CS-W013686 [0,1,0,0,0,0|2,0,0]=3 197 B6R0.1 COCC(N)CO CS-0106469 [0,1,0,0,0,0|1,0,2]=4 198 B6R0.1 COCC(O)CN CS-0106474 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.1 OCCC(O)CO CS-0008443 [0,1,0,0,0,0|1,0,2]=4 200 B6R0.1 OCC[C@H](O)CO CS-0000034 [0,1,0,0,0,0|1,0,2]=4 201 B6R0.3 C#CC(O)C(C)C CS-0207469 [0,1,0,0,0,0|2,0,1]=4 202 B6R0.3 C(C)=C(/C)C(=O)O CS-W009553 [0,1,0,0,0,0|0,0,2]=3 203 B6R0.3 C=C(CBr)C(=O)O CS-W017896 [0,1,0,0,0,0|1,0,2]=4 204 B6R0.3 C=C(I)[C@H](C)CI CS-M3569 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.3 C=CC(C)C(=O)O CS-0006592 [0,1,0,0,0,0|0,0,2]=3 206 B6R0.3 C=CN(C)C(C)=O CS-W013718 [0,1,0,0,0,0|1,0,2]=4 207 B6R0.3 C=C[C@@H](C)[C@@H](C)O CS-0368397 [0,1,0,0,0,0|1,0,0]=2 208 B6R0.3 C=C[C@@H](N)C(=O)O CS-0131608 [0,1,0,0,0,0|1,0,2]=4 209 B6R0.3 C=C[C@H](C)[C@H](C)O CS-0368404 [0,1,0,0,0,0|1,0,0]=2 210 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [0,1,0,0,0,0|1,0,2]=4 211 B6R0.3 CC(=O)C(=O)CBr CS-0199660 [0,1,0,0,0,0|2,0,1]=4 212 B6R0.3 CC(C#N)C(=O)O CS-0139286 [0,1,0,0,0,0|1,0,1]=3 213 B6R0.3 CC(C)C(N)C#N CS-0255764 [0,1,0,0,0,0|2,0,1]=4 214 B6R0.3 CC(C)C(N)CO CS-W004906 [0,1,0,0,0,0|1,0,2]=4 215 B6R0.3 CC(C)C(O)CN CS-0129685 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.3 CC(C)[C@@H](N)CO CS-D0610 [0,1,0,0,0,0|1,0,2]=4 217 B6R0.3 CC(C)[C@H](N)CO CS-W020370 [0,1,0,0,0,0|1,0,2]=4 218 B6R0.3 CC(CBr)C(=O)O CS-W016048 [0,1,0,0,0,0|1,0,0]=2 219 B6R0.3 CC(CN)C(=O)O CS-W013690 [0,1,0,0,0,0|1,0,0]=2 220 B6R0.3 CCC(=O)C(=O)O CS-W007926 [0,1,0,0,0,0|1,0,1]=3 221 B6R0.3 CCC(=O)C(C)=O CS-W013714 [0,1,0,0,0,0|1,0,1]=3 222 B6R0.3 CCC(Br)C(N)=O CS-0152635 [0,1,0,0,0,0|1,0,0]=2 223 B6R0.3 CCC(C)B(O)O CS-W011315 [0,1,0,0,0,0|1,0,1]=3 224 B6R0.3 CCC(N)C(=O)O CS-W011306 [0,1,0,0,0,0|1,0,0]=2 225 B6R0.3 CCC(N)C(N)=O CS-0197483 [0,1,0,0,0,0|1,0,0]=2 226 B6R0.3 CCC(O)C(N)=O CS-0232591 [0,1,0,0,0,0|1,0,0]=2 227 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [0,1,0,0,0,0|1,0,0]=2 228 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [0,1,0,0,0,0|0,0,0]=1 229 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [0,1,0,0,0,0|1,0,0]=2 230 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [0,1,0,0,0,0|1,0,0]=2 231 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [0,1,0,0,0,0|1,0,0]=2 232 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [0,1,0,0,0,0|1,0,0]=2 233 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [0,1,0,0,0,0|0,0,0]=1 234 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [0,1,0,0,0,0|1,0,0]=2 235 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [0,1,0,0,0,0|1,0,0]=2 236 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [0,1,0,0,0,0|1,0,0]=2 237 B6R0.3 CC[C@H](N)[C@@H](C)O CS-0183871 [0,1,0,0,0,0|1,0,2]=4 238 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [0,1,0,0,0,0|1,0,0]=2 239 B6R0.3 CNC(=O)C(=O)O CS-0113142 [0,1,0,0,0,0|2,0,1]=4 240 B6R0.3 CNC(C)C(=O)O CS-W011307 [0,1,0,0,0,0|1,0,0]=2 241 B6R0.3 CNC(C)C(C)C CS-W000156 [0,1,0,0,0,0|2,0,0]=3 242 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [0,1,0,0,0,0|1,0,0]=2 243 B6R0.3 COC(=O)C(C)=O CS-W013701 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.3 COC(C)C(=O)O CS-W004806 [0,1,0,0,0,0|1,0,0]=2 245 B6R0.3 CON(C)C(C)=O CS-W001095 [0,1,0,0,0,0|2,0,0]=3 246 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,1,0,0,0,0|1,0,0]=2 247 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [0,1,0,0,0,0|1,0,0]=2 248 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [0,1,0,0,0,0|1,0,0]=2 249 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [0,1,0,0,0,0|1,0,0]=2 250 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [0,1,0,0,0,0|1,0,0]=2 251 B6R0.3 C\C=C(/C)C(=O)O CS-0356606 [0,1,0,0,0,0|0,0,2]=3 252 B6R0.3 C\C=C(/C)C(=O)O CS-W013715 [0,1,0,0,0,0|0,0,2]=3 253 B6R0.3 N#CC(N)C(N)=O CS-0016863 [0,1,0,0,0,0|2,0,1]=4 254 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [0,1,0,0,0,0|2,0,0]=3 255 B6R0.3 NC(=O)[C@@H](N)CO CS-W008254 [0,1,0,0,0,0|2,0,0]=3 256 B6R0.3 NC(=O)[C@H](N)CO CS-0158516 [0,1,0,0,0,0|2,0,0]=3 257 B6R0.3 NC(CO)C(=O)O CS-0015292 [0,1,0,0,0,0|2,0,0]=3 258 B6R0.3 NC(CS)C(=O)O CS-0201576 [0,1,0,0,0,0|2,0,0]=3 259 B6R0.3 NC(CS)C(=O)O CS-W013566 [0,1,0,0,0,0|2,0,0]=3 260 B6R0.3 NC(CS)C(=O)O CS-W014367 [0,1,0,0,0,0|2,0,0]=3 261 B6R0.3 NC(CS)C(=O)O CS-W017432 [0,1,0,0,0,0|2,0,0]=3 262 B6R0.3 NCC(F)C(=O)O CS-W011291 [0,1,0,0,0,0|2,0,0]=3 263 B6R0.3 NCC(N)C(=O)O CS-0130703 [0,1,0,0,0,0|2,0,0]=3 264 B6R0.3 NCC(N)C(=O)O CS-W014390 [0,1,0,0,0,0|2,0,0]=3 265 B6R0.3 NCC(O)C(=O)O CS-W013682 [0,1,0,0,0,0|2,0,0]=3 266 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [0,1,0,0,0,0|2,0,0]=3 267 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [0,1,0,0,0,0|2,0,0]=3 268 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [0,1,0,0,0,0|2,0,0]=3 269 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [0,1,0,0,0,0|2,0,0]=3 270 B6R0.3 N[C@@H](CCl)C(=O)O CS-7792 [0,1,0,0,0,0|2,0,0]=3 271 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.3 N[C@@H](CS)C(=O)O CS-W009027 [0,1,0,0,0,0|2,0,0]=3 274 B6R0.3 N[C@@H](CS)C(=O)O CS-W017431 [0,1,0,0,0,0|2,0,0]=3 275 B6R0.3 N[C@@H](CS)C(=O)O CS-W018517 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [0,1,0,0,0,0|2,0,0]=3 277 B6R0.3 N[C@H](CCl)C(=O)O CS-W016173 [0,1,0,0,0,0|2,0,0]=3 278 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [0,1,0,0,0,0|2,0,0]=3 279 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [0,1,0,0,0,0|2,0,0]=3 280 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [0,1,0,0,0,0|2,0,0]=3 281 B6R0.3 O=C(O)C(=O)CBr CS-5517 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.3 O=C(O)C(O)CCl CS-0186802 [0,1,0,0,0,0|2,0,0]=3 283 B6R0.3 O=C(O)C(O)CO CS-W018821 [0,1,0,0,0,0|2,0,0]=3 284 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [0,1,0,0,0,0|1,0,0]=2 285 B6R0.3 [C@@H](C)(O)[C@@H](N)CO CS-W008521 [0,1,0,0,0,0|1,0,2]=4 286 B6R0.3 [C@H](C)(O)[C@H](N)CO CS-W013681 [0,1,0,0,0,0|1,0,2]=4 287 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [0,1,0,0,0,0|1,0,0]=2 288 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [0,1,0,0,0,0|1,0,0]=2 289 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [0,1,0,0,0,0|2,0,0]=3 290 B6R0.8 C#CC(C)(N)CC CS-W003636 [0,1,0,0,0,0|1,0,1]=3 291 B6R0.8 CC(C)(C#N)CO CS-W018923 [0,1,0,0,0,0|2,0,1]=4 292 B6R0.8 CC(C)(CBr)CBr CS-W004189 [0,1,0,0,0,0|2,0,1]=4 293 B6R0.8 CC(C)(CN)CN CS-0077143 [0,1,0,0,0,0|2,0,1]=4 294 B6R0.8 CC(C)(CN)CO CS-W008239 [0,1,0,0,0,0|1,0,2]=4 295 B6R0.8 CC(C)(CO)CBr CS-0043654 [0,1,0,0,0,0|1,0,2]=4 296 B6R0.8 CC(C)(CO)CCl CS-W011189 [0,1,0,0,0,0|1,0,2]=4 297 B6R0.8 CC(N)(CO)CO CS-W017770 [0,1,0,0,0,0|1,0,2]=4 298 B6R0.8 CCC(C)(C)CN CS-0590202 [0,1,0,0,0,0|1,0,1]=3 299 B6R0.8 CCC(C)(C)O[K] CS-0636232 [0,1,0,0,0,0|2,0,0]=3 300 B6R0.8 CNC(C)(C)CO CS-W018699 [0,1,0,0,0,0|1,0,2]=4 301 B6R0.8 COC(C)(C)CO CS-0146594 [0,1,0,0,0,0|1,0,2]=4 302 B6R0.9 CCC(CC)CBr CS-0132321 [0,1,0,0,0,0|1,0,1]=3 303 B6R0.9 CCC(CC)NN CS-0210677 [0,1,0,0,0,0|2,0,0]=3 304 B6R0.9 CCN(C=O)CC CS-W009551 [0,1,0,0,0,0|1,0,0]=2 305 B6R0.9 CCN(CC)CC CS-0152028 [0,1,0,0,0,0|2,0,1]=4 306 B6R0.9 CCN(CC)CC CS-0187700 [0,1,0,0,0,0|2,0,1]=4 307 B6R0.9 CCN(CC)CC CS-0199232 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.9 CCN(CC)N=O CS-0128799 [0,1,0,0,0,0|2,0,0]=3 309 B6R0.9 COC(CBr)OC CS-W018536 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.9 COC(CN)OC CS-0015304 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.9 COC(CO)OC CS-W011294 [0,1,0,0,0,0|1,0,2]=4 312 B6R0.9 OCC(CO)CO CS-W005889 [0,1,0,0,0,0|1,0,2]=4 313 B6R1.2 BrC1CCNC1 CS-W005728 [0,0,0,1,0,0|2,0,1]=4 314 B6R1.2 BrC1CCOC1 CS-W004035 [0,0,0,1,0,0|1,0,2]=4 315 B6R1.2 CC1CCNC1 CS-W021968 [0,0,0,1,0,0|1,0,1]=3 316 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [0,0,0,1,0,0|2,0,0]=3 317 B6R1.2 C[C@H]1CCNC1 CS-0040457 [0,0,0,1,0,0|1,0,1]=3 318 B6R1.2 FC1CCNC1 CS-W005668 [0,0,0,1,0,0|2,0,1]=4 319 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [0,0,0,1,0,0|2,0,1]=4 320 B6R1.2 IC1CCCC1 CS-0067150 [0,0,0,1,0,0|2,0,1]=4 321 B6R1.2 IC1CCOC1 CS-W004266 [0,0,0,1,0,0|1,0,2]=4 322 B6R1.2 I[C@@H]1CCOC1 CS-0055199 [0,0,0,1,0,0|1,0,2]=4 323 B6R1.2 I[C@H]1CCOC1 CS-0053265 [0,0,0,1,0,0|1,0,2]=4 324 B6R1.2 NC1CCNC1 CS-W016190 [0,0,0,1,0,0|2,0,1]=4 325 B6R1.2 NC1CCOC1 CS-D1564 [0,0,0,1,0,0|1,0,2]=4 326 B6R1.2 NC1CCOC1 CS-W011353 [0,0,0,1,0,0|1,0,2]=4 327 B6R1.2 N[C@@H]1CCNC1 CS-W010887 [0,0,0,1,0,0|2,0,1]=4 328 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [0,0,0,1,0,0|1,0,2]=4 329 B6R1.2 N[C@H]1CCNC1 CS-W013278 [0,0,0,1,0,0|2,0,1]=4 330 B6R1.2 N[C@H]1CCOC1 CS-W019697 [0,0,0,1,0,0|1,0,2]=4 331 B6R1.2 O=C1C=CCC1 CS-W011359 [0,0,0,1,0,0|2,0,1]=4 332 B6R1.2 OC1C=CCC1 CS-0451001 [0,0,0,1,0,0|2,0,0]=3 333 B6R1.2 OC1CCNC1 CS-W002985 [0,0,0,1,0,0|2,0,1]=4 334 B6R1.2 OC1CCNC1 CS-W022946 [0,0,0,1,0,0|2,0,1]=4 335 B6R1.2 OC1CCOC1 CS-M0786 [0,0,0,1,0,0|1,0,2]=4 336 B6R1.2 OC1CCSC1 CS-0185375 [0,0,0,1,0,0|1,1,1]=4 337 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,0,0,1,0,0|2,0,1]=4 338 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,0,0,1,0,0|2,0,1]=4 339 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,0,0,1,0,0|1,0,2]=4 340 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,0,0,1,0,0|2,0,1]=4 341 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,0,0,1,0,0|2,0,1]=4 342 B6R1.2 O[C@H]1CCOC1 CS-D0600 [0,0,0,1,0,0|1,0,2]=4 343 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,0,0,1,0,0|1,0,1]=3 344 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,0,0,1,0,0|2,0,1]=4 345 B6R1.4 CC1OCC1=O CS-0051833 [0,0,0,1,0,0|1,0,0]=2 346 B6R1.4 C[C@@H]1NC[C@@H]1O CS-0172767 [0,0,0,1,0,0|1,0,2]=4 347 B6R1.4 NC1CCC1F CS-0505919 [0,0,0,1,0,0|2,0,1]=4 348 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,0,0,1,0,0|1,0,2]=4 349 B6R1.4 O=C1CCC1Br CS-0147268 [0,0,0,1,0,0|1,0,0]=2 350 B6R1.6 BrCC1CCC1 CS-0015296 [0,0,0,1,0,0|1,0,1]=3 351 B6R1.6 BrCC1COC1 CS-W018850 [0,0,0,1,0,0|1,0,2]=4 352 B6R1.6 CNC1CCC1 CS-0054580 [0,0,0,1,0,0|2,0,0]=3 353 B6R1.6 CNC1CNC1 CS-0043910 [0,0,0,1,0,0|2,0,1]=4 354 B6R1.6 CNC1COC1 CS-0040193 [0,0,0,1,0,0|1,0,2]=4 355 B6R1.6 COC1CNC1 CS-W008894 [0,0,0,1,0,0|2,0,1]=4 356 B6R1.6 CSC1CNC1 CS-0051673 [0,0,0,1,0,0|2,0,1]=4 357 B6R1.6 FCC1CNC1 CS-0085106 [0,0,0,1,0,0|2,0,1]=4 358 B6R1.6 ICC1CCC1 CS-0053096 [0,0,0,1,0,0|1,0,1]=3 359 B6R1.6 ICC1CCO1 CS-0052227 [0,0,0,1,0,0|2,0,1]=4 360 B6R1.6 ICC1COC1 CS-0045504 [0,0,0,1,0,0|1,0,2]=4 361 B6R1.6 N#CC1CCC1 CS-0007644 [0,0,0,1,0,0|1,0,1]=3 362 B6R1.6 N#CC1CNC1 CS-W018612 [0,0,0,1,0,0|2,0,1]=4 363 B6R1.6 N#CC1COC1 CS-0043332 [0,0,0,1,0,0|2,0,1]=4 364 B6R1.6 NCC1CCC1 CS-W004986 [0,0,0,1,0,0|1,0,1]=3 365 B6R1.6 NCC1CCO1 CS-0048767 [0,0,0,1,0,0|2,0,1]=4 366 B6R1.6 NCC1CNC1 CS-W022574 [0,0,0,1,0,0|2,0,1]=4 367 B6R1.6 NCC1COC1 CS-W008698 [0,0,0,1,0,0|1,0,2]=4 368 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [0,0,0,1,0,0|2,0,1]=4 369 B6R1.6 NNC1CCC1 CS-0054590 [0,0,0,1,0,0|2,0,0]=3 370 B6R1.6 NNC1CCC1 CS-D1710 [0,0,0,1,0,0|2,0,0]=3 371 B6R1.6 NNC1COC1 CS-0187598 [0,0,0,1,0,0|3,0,0]=4 372 B6R1.6 O=CC1COC1 CS-0048764 [0,0,0,1,0,0|1,0,0]=2 373 B6R1.6 OCC1CCC1 CS-W001922 [0,0,0,1,0,0|0,0,2]=3 374 B6R1.6 OCC1CCN1 CS-0049913 [0,0,0,1,0,0|1,0,2]=4 375 B6R1.6 OCC1CCO1 CS-W019194 [0,0,0,1,0,0|1,0,2]=4 376 B6R1.6 OCC1CNC1 CS-D1756 [0,0,0,1,0,0|1,0,2]=4 377 B6R1.7 C#CC1(N)CC1 CS-B0936 [0,0,0,1,0,0|2,0,1]=4 378 B6R1.7 CC1(CCl)CO1 CS-0089843 [0,0,0,1,0,0|1,0,2]=4 379 B6R1.7 CC1(CN)CC1 CS-0037189 [0,0,0,1,0,0|1,0,1]=3 380 B6R1.7 CC1(CO)CC1 CS-W000081 [0,0,0,1,0,0|0,0,2]=3 381 B6R1.7 N#CC1(N)CC1 CS-D0921 [0,0,0,1,0,0|2,0,1]=4 382 B6R1.7 NC1(CF)CC1 CS-0139594 [0,0,0,1,0,0|2,0,1]=4 383 B6R1.7 NC1(CO)CC1 CS-0040895 [0,0,0,1,0,0|1,0,2]=4 384 B6R1.7 NC1(CO)CC1 CS-D0148 [0,0,0,1,0,0|1,0,2]=4 385 B6R1.7 NCC1(O)CC1 CS-W005471 [0,0,0,1,0,0|2,0,1]=4 386 B6R1.7 OCC1(F)CC1 CS-W000077 [0,0,0,1,0,0|1,0,2]=4 387 B6R1.7 OCC1(O)CC1 CS-0037029 [0,0,0,1,0,0|1,0,2]=4 388 B6R1.8 C=C1CC1CO CS-0054284 [0,0,0,1,0,0|2,0,0]=3 389 B3R0.1 C(=O)ON CS-0015274 [2,0,0,0,0,0|2,0,0]=4 390 B3R0.1 CCCN CS-0079898 [2,0,0,0,0,0|1,0,0]=3 391 B3R0.1 CCCN CS-0203559 [2,0,0,0,0,0|1,0,0]=3 392 B3R0.1 CCC[O-] CS-0636169 [2,0,0,0,0,0|0,0,1]=3 393 B3R0.1 CCNC CS-0158300 [2,0,0,0,0,0|1,0,0]=3 394 B3R0.1 CCNN CS-0151959 [2,0,0,0,0,0|2,0,0]=4 395 B3R0.1 CCNN CS-0160233 [2,0,0,0,0,0|2,0,0]=4 396 B3R0.1 CCNO CS-0370696 [2,0,0,0,0,0|1,0,1]=4 397 B3R0.1 CCON CS-0017502 [2,0,0,0,0,0|2,0,0]=4 398 B3R0.1 CCON CS-W011335 [2,0,0,0,0,0|2,0,0]=4 399 B3R0.1 CNNC CS-0530458 [2,0,0,0,0,0|2,0,0]=4 400 B3R0.1 CNOC CS-D1361 [2,0,0,0,0,0|2,0,0]=4 401 B3R0.1 C[Se][Se]C CS-0199215 [2,0,0,0,0,0|2,0,0]=4 402 B3R0.1 ICCI CS-0143351 [2,0,0,0,0,0|2,0,0]=4 403 B3R0.1 NCCBr CS-W008659 [2,0,0,0,0,0|2,0,0]=4 404 B3R0.1 NCCCl CS-W013617 [2,0,0,0,0,0|2,0,0]=4 405 B3R0.1 NCCF CS-W007788 [2,0,0,0,0,0|2,0,0]=4 406 B3R0.1 NCCO CS-0088236 [2,0,0,0,0,0|1,0,1]=4 407 B3R0.1 NCCS CS-2800 [2,0,0,0,0,0|1,1,0]=4 408 B3R0.1 O=CO[Na] CS-0129037 [2,0,0,0,0,0|2,0,0]=4 409 B3R0.1 OCCI CS-W017637 [2,0,0,0,0,0|1,0,1]=4 410 B3R0.1 OCCO CS-0015059 [2,0,0,0,0,0|1,0,1]=4 411 B3R0.1 OCCO CS-0015844 [2,0,0,0,0,0|1,0,1]=4 412 B3R0.1 OCCO CS-0676146 [2,0,0,0,0,0|1,0,1]=4 413 B3R0.1 OCCO CS-0864542 [2,0,0,0,0,0|1,0,1]=4 414 B3R0.1 OCCO CS-0907650 [2,0,0,0,0,0|1,0,1]=4 415 B3R0.1 OCCO CS-0998158 [2,0,0,0,0,0|1,0,1]=4 416 B3R0.1 OCCO CS-1053456 [2,0,0,0,0,0|1,0,1]=4 417 B3R0.1 [Li]OC=O CS-0158490 [2,0,0,0,0,0|2,0,0]=4 418 B3R0.2 C=[N+](C)C CS-0132319 [2,0,0,0,0,0|1,0,0]=3 419 B3R0.2 CC(=O)O CS-0081928 [2,0,0,0,0,0|1,0,1]=4 420 B3R0.2 CC(=O)O CS-0144598 [2,0,0,0,0,0|1,0,1]=4 421 B3R0.2 CC(=O)O CS-0646220 [2,0,0,0,0,0|1,0,1]=4 422 B3R0.2 CC(=O)O CS-0886556 [2,0,0,0,0,0|1,0,1]=4 423 B3R0.2 CC(=O)O CS-W013740 [2,0,0,0,0,0|1,0,1]=4 424 B3R0.2 CC(=O)O CS-W019776 [2,0,0,0,0,0|1,0,1]=4 425 B3R0.2 CC(=O)[O-] CS-0084981 [2,0,0,0,0,0|1,0,1]=4 426 B3R0.2 CC(C)C CS-0035161 [2,0,0,0,0,0|0,0,1]=3 427 B3R0.2 CC(C)N CS-0154205 [2,0,0,0,0,0|1,0,0]=3 428 B3R0.2 CC(C)N CS-0182206 [2,0,0,0,0,0|1,0,0]=3 429 B3R0.2 CC(N)=O CS-0015934 [2,0,0,0,0,0|1,0,1]=4 430 B3R0.2 CN(C)C CS-0204256 [2,0,0,0,0,0|1,0,1]=4 431 B3R0.2 CN(C)C CS-D1390 [2,0,0,0,0,0|1,0,1]=4 432 B3R0.2 CS(C)=O CS-B1637 [2,0,0,0,0,0|1,0,0]=3 433 B3R0.2 C[Cr](C)C CS-0137821 [2,0,0,0,0,0|1,0,1]=4 434 B3R0.2 C[In](C)C CS-0111736 [2,0,0,0,0,0|1,0,1]=4 435 B3R0.2 C[S+](C)Br CS-0311610 [2,0,0,0,0,0|2,0,0]=4 436 B3R0.2 C[S+](C)C CS-0128440 [2,0,0,0,0,0|1,0,1]=4 437 B3R0.2 C[S+](C)C CS-W008974 [2,0,0,0,0,0|1,0,1]=4 438 B5R0.1 C=CC[C@H](C)O CS-0081915 [1,1,0,0,0,0|0,0,2]=4 439 B5R0.1 CC(=O)CCCl CS-W022162 [1,1,0,0,0,0|0,0,1]=3 440 B5R0.1 CC(=O)CCN CS-0209803 [1,1,0,0,0,0|0,0,1]=3 441 B5R0.1 CC(=O)NCO CS-0061075 [1,1,0,0,0,0|1,0,1]=4 442 B5R0.1 CC(=O)OCBr CS-0090812 [1,1,0,0,0,0|1,0,1]=4 443 B5R0.1 CC(=O)OCCl CS-0139458 [1,1,0,0,0,0|1,0,1]=4 444 B5R0.1 CC(C)=CCCl CS-0204351 [1,1,0,0,0,0|1,0,1]=4 445 B5R0.1 CC(C)=CCN CS-0236946 [1,1,0,0,0,0|1,0,1]=4 446 B5R0.1 CC(C)=CCO CS-W013751 [1,1,0,0,0,0|0,0,2]=4 447 B5R0.1 CC(C)CNN CS-0067938 [1,1,0,0,0,0|1,0,1]=4 448 B5R0.1 CC(C)CON CS-0136014 [1,1,0,0,0,0|0,0,2]=4 449 B5R0.1 CC(C)\C=N\O CS-W000111 [1,1,0,0,0,0|0,0,1]=3 450 B5R0.1 CC(N)CCO CS-W004841 [1,1,0,0,0,0|1,0,0]=3 451 B5R0.1 CC(O)CC#N CS-0261013 [1,1,0,0,0,0|0,0,2]=4 452 B5R0.1 CC(O)CCBr CS-0142519 [1,1,0,0,0,0|0,0,1]=3 453 B5R0.1 CC(O)CCO CS-0115644 [1,1,0,0,0,0|0,0,1]=3 454 B5R0.1 CCCC(=O)O CS-0977378 [1,1,0,0,0,0|1,0,1]=4 455 B5R0.1 CCCC(N)=O CS-0130522 [1,1,0,0,0,0|1,0,1]=4 456 B5R0.1 CCC[C@@H](C)N CS-0162182 [1,1,0,0,0,0|1,0,0]=3 457 B5R0.1 CCC[C@H](C)N CS-W006528 [1,1,0,0,0,0|1,0,0]=3 458 B5R0.1 CCNC(N)=O CS-W011351 [1,1,0,0,0,0|1,0,1]=4 459 B5R0.1 CCOC(C)=N CS-W008601 [1,1,0,0,0,0|1,0,1]=4 460 B5R0.1 CCOC(N)=O CS-4731 [1,1,0,0,0,0|1,0,1]=4 461 B5R0.1 CN(C)CCBr CS-W004693 [1,1,0,0,0,0|1,0,1]=4 462 B5R0.1 CN(C)NC=O CS-M2144 [1,1,0,0,0,0|1,0,0]=3 463 B5R0.1 CNCC(=O)O CS-W013507 [1,1,0,0,0,0|1,0,1]=4 464 B5R0.1 CNCC(=O)O CS-W018511 [1,1,0,0,0,0|1,0,1]=4 465 B5R0.1 CNCC(C)O CS-0216704 [1,1,0,0,0,0|0,0,1]=3 466 B5R0.1 CNCC(N)=O CS-W011178 [1,1,0,0,0,0|1,0,1]=4 467 B5R0.1 COCC(=O)O CS-W020123 [1,1,0,0,0,0|1,0,1]=4 468 B5R0.1 COC[C@@H](C)N CS-W019198 [1,1,0,0,0,0|1,0,0]=3 469 B5R0.1 COC[C@H](C)N CS-0148795 [1,1,0,0,0,0|1,0,0]=3 470 B5R0.1 COC[C@H](C)O CS-0031378 [1,1,0,0,0,0|0,0,1]=3 471 B5R0.1 CSCC(=O)O CS-0015159 [1,1,0,0,0,0|1,0,1]=4 472 B5R0.1 CSCC(N)=O CS-0150088 [1,1,0,0,0,0|1,0,1]=4 473 B5R0.1 CSCS(C)=O CS-0146450 [1,1,0,0,0,0|1,0,0]=3 474 B5R0.1 C[C@@H](N)CC#N CS-0127883 [1,1,0,0,0,0|1,0,1]=4 475 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,1,0,0,0,0|1,0,0]=3 476 B5R0.1 C[C@@H](O)CCO CS-M1638 [1,1,0,0,0,0|0,0,1]=3 477 B5R0.1 C[C@H](N)CC#N CS-0127884 [1,1,0,0,0,0|1,0,1]=4 478 B5R0.1 C[C@H](N)CCO CS-W019851 [1,1,0,0,0,0|1,0,0]=3 479 B5R0.1 C[C@H](O)CCO CS-W016671 [1,1,0,0,0,0|0,0,1]=3 480 B5R0.1 C\C=C\C(C)=O CS-0022376 [1,1,0,0,0,0|0,0,2]=4 481 B5R0.1 C\C=C\C(C)=O CS-0513711 [1,1,0,0,0,0|0,0,2]=4 482 B5R0.1 NC(=O)CCBr CS-0046169 [1,1,0,0,0,0|1,0,1]=4 483 B5R0.1 NC(=O)CCCl CS-0204808 [1,1,0,0,0,0|1,0,1]=4 484 B5R0.1 NC(=O)CCO CS-0205185 [1,1,0,0,0,0|1,0,1]=4 485 B5R0.1 NCCC(=O)O CS-0668359 [1,1,0,0,0,0|1,0,1]=4 486 B5R0.1 NCCC(=O)O CS-W020126 [1,1,0,0,0,0|1,0,1]=4 487 B5R0.1 NCCS(=O)O CS-6985 [1,1,0,0,0,0|2,0,0]=4 488 B5R0.1 O=C(O)CCF CS-0038385 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.1 O=C(O)CCI CS-0204563 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.1 O=C(O)CCO CS-0147832 [1,1,0,0,0,0|1,0,1]=4 491 B5R0.1 O=[N+]([O-])CCO CS-W013741 [1,1,0,0,0,0|2,0,0]=4 492 B5R0.1 OCCC(F)F CS-0185412 [1,1,0,0,0,0|2,0,0]=4 493 B5R0.4 C#CC(C)(C)Cl CS-W013692 [1,1,0,0,0,0|1,0,1]=4 494 B5R0.4 CC(C)(Br)C#N CS-0100471 [1,1,0,0,0,0|1,0,1]=4 495 B5R0.4 CC(C)(C)C#N CS-0017904 [1,1,0,0,0,0|1,0,1]=4 496 B5R0.4 CC(C)(C)CN CS-0996828 [1,1,0,0,0,0|1,0,1]=4 497 B5R0.4 CC(C)(C)CN CS-W019134 [1,1,0,0,0,0|1,0,1]=4 498 B5R0.4 CC(C)(C)NN CS-W004055 [1,1,0,0,0,0|2,0,0]=4 499 B5R0.4 CC(C)(C)NO CS-0130269 [1,1,0,0,0,0|1,0,1]=4 500 B5R0.4 CC(C)(C)NO CS-W022903 [1,1,0,0,0,0|1,0,1]=4 501 B5R0.4 CC(C)(C)ON CS-W004243 [1,1,0,0,0,0|2,0,0]=4 502 B5R0.4 CC(C)(Cl)CCl CS-0186289 [1,1,0,0,0,0|1,0,1]=4 503 B5R0.4 CC(C)(F)CBr CS-0154615 [1,1,0,0,0,0|1,0,1]=4 504 B5R0.4 CC(C)(F)CN CS-0060975 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.4 CC(C)(F)CO CS-D1107 [1,1,0,0,0,0|0,0,2]=4 506 B5R0.4 CC(C)(N)C#N CS-W005215 [1,1,0,0,0,0|1,0,1]=4 507 B5R0.4 CC(C)(N)CN CS-0058986 [1,1,0,0,0,0|1,0,1]=4 508 B5R0.4 CC(C)(N)CO CS-0129831 [1,1,0,0,0,0|0,0,2]=4 509 B5R0.4 CC(C)(N)CO CS-W013743 [1,1,0,0,0,0|0,0,2]=4 510 B5R0.4 CC(C)(O)CBr CS-0139635 [1,1,0,0,0,0|1,0,1]=4 511 B5R0.4 CC(C)(O)CCl CS-0030576 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.4 CC(C)(O)CN CS-W008799 [1,1,0,0,0,0|1,0,1]=4 513 B5R0.4 CC(C)(O)CO CS-W005057 [1,1,0,0,0,0|0,0,2]=4 514 B5R0.4 CC(C)(S)CN CS-0140693 [1,1,0,0,0,0|1,0,1]=4 515 B5R0.4 CC(F)(F)CN CS-0028374 [1,1,0,0,0,0|2,0,0]=4 516 B5R0.4 CCC(C)(C)Br CS-0204230 [1,1,0,0,0,0|0,0,1]=3 517 B5R0.4 CCS(=O)(=O)O CS-0019432 [1,1,0,0,0,0|2,0,0]=4 518 B5R0.4 CCS(C)(=O)=O CS-0197307 [1,1,0,0,0,0|1,0,0]=3 519 B5R0.4 CCS(N)(=O)=O CS-W003034 [1,1,0,0,0,0|2,0,0]=4 520 B5R0.4 CC[N+](C)(C)C CS-0153899 [1,1,0,0,0,0|1,0,1]=4 521 B5R0.4 CNS(C)(=O)=O CS-W008054 [1,1,0,0,0,0|2,0,0]=4 522 B5R0.4 COS(C)(=O)=O CS-W004702 [1,1,0,0,0,0|2,0,0]=4 523 B5R0.5 C=C(C)C(=O)[O-] CS-W012887 [1,1,0,0,0,0|0,0,2]=4 524 B5R0.5 C=C(C)C(N)=O CS-0031911 [1,1,0,0,0,0|0,0,2]=4 525 B5R0.5 CC(=O)C(=O)O CS-W020190 [1,1,0,0,0,0|1,0,1]=4 526 B5R0.5 CC(=O)C(=O)[O-] CS-W014944 [1,1,0,0,0,0|1,0,1]=4 527 B5R0.5 CC(=O)C(C)Br CS-0130132 [1,1,0,0,0,0|0,0,1]=3 528 B5R0.5 CC(=O)C(C)N CS-0105630 [1,1,0,0,0,0|0,0,1]=3 529 B5R0.5 CC(=O)C(F)F CS-0121252 [1,1,0,0,0,0|1,0,1]=4 530 B5R0.5 CC(=O)N(C)C CS-W023195 [1,1,0,0,0,0|1,0,0]=3 531 B5R0.5 CC(=O)[13C](=O)O CS-0514226 [1,1,0,0,0,0|1,0,1]=4 532 B5R0.5 CC(=O)[C@H](C)N CS-0197276 [1,1,0,0,0,0|0,0,1]=3 533 B5R0.5 CC(Br)C(N)=O CS-0139914 [1,1,0,0,0,0|1,0,0]=3 534 B5R0.5 CC(C)=C(C)Br CS-0188281 [1,1,0,0,0,0|1,0,1]=4 535 B5R0.5 CC(C)B(O)O CS-W004088 [1,1,0,0,0,0|1,0,1]=4 536 B5R0.5 CC(C)C(=N)N CS-0120122 [1,1,0,0,0,0|1,0,0]=3 537 B5R0.5 CC(C)C(N)=O CS-W019979 [1,1,0,0,0,0|0,0,0]=2 538 B5R0.5 CC(F)C(=O)O CS-0180920 [1,1,0,0,0,0|1,0,0]=3 539 B5R0.5 CC(N)C(=O)O CS-0022544 [1,1,0,0,0,0|1,0,0]=3 540 B5R0.5 CC(N)C(C)O CS-0217255 [1,1,0,0,0,0|0,0,1]=3 541 B5R0.5 CC(N)C(N)=O CS-0186552 [1,1,0,0,0,0|1,0,0]=3 542 B5R0.5 CC(O)C(=O)O CS-0013338 [1,1,0,0,0,0|1,0,0]=3 543 B5R0.5 CC(O)C(=O)O CS-0031116 [1,1,0,0,0,0|1,0,0]=3 544 B5R0.5 CC(O)C(=O)O CS-0310546 [1,1,0,0,0,0|1,0,0]=3 545 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [1,1,0,0,0,0|1,0,0]=3 546 B5R0.5 CC(O)C(C)O CS-0099502 [1,1,0,0,0,0|0,0,1]=3 547 B5R0.5 CC(O)C(N)=O CS-0068194 [1,1,0,0,0,0|1,0,0]=3 548 B5R0.5 CN(C)C(=N)N CS-0036167 [1,1,0,0,0,0|2,0,0]=4 549 B5R0.5 CN(C)C(=N)N CS-0151357 [1,1,0,0,0,0|2,0,0]=4 550 B5R0.5 CN(C)C(N)=O CS-0132397 [1,1,0,0,0,0|1,0,0]=3 551 B5R0.5 CN(C)C(N)=S CS-0231074 [1,1,0,0,0,0|1,1,0]=4 552 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [1,1,0,0,0,0|1,0,0]=3 553 B5R0.5 C[C@@H](F)C(N)=O CS-0637276 [1,1,0,0,0,0|1,0,0]=3 554 B5R0.5 C[C@@H](N)C(=O)O CS-W020127 [1,1,0,0,0,0|1,0,0]=3 555 B5R0.5 C[C@@H](N)C(N)=O CS-W005248 [1,1,0,0,0,0|1,0,0]=3 556 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [1,1,0,0,0,0|1,0,0]=3 557 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [1,1,0,0,0,0|1,0,0]=3 558 B5R0.5 C[C@@H](O)[C@@H](C)O CS-W016670 [1,1,0,0,0,0|0,0,1]=3 559 B5R0.5 C[C@H](Cl)C(=O)O CS-0020146 [1,1,0,0,0,0|1,0,0]=3 560 B5R0.5 C[C@H](F)C(N)=O CS-0637032 [1,1,0,0,0,0|1,0,0]=3 561 B5R0.5 C[C@H](N)C(=O)O CS-W020002 [1,1,0,0,0,0|1,0,0]=3 562 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [1,1,0,0,0,0|1,0,0]=3 563 B5R0.5 C[C@H](N)C(N)=O CS-0119942 [1,1,0,0,0,0|1,0,0]=3 564 B5R0.5 C[C@H](N)C(N)=O CS-0539407 [1,1,0,0,0,0|1,0,0]=3 565 B5R0.5 C[C@H](O)C(=O)O CS-0015266 [1,1,0,0,0,0|1,0,0]=3 566 B5R0.5 C[C@H](O)C(N)=O CS-0330478 [1,1,0,0,0,0|1,0,0]=3 567 B5R0.5 C[C@H](O)[C@@H](C)O CS-0545500 [1,1,0,0,0,0|0,0,1]=3 568 B5R0.5 C[C@H](O)[C@H](C)O CS-0106462 [1,1,0,0,0,0|0,0,1]=3 569 B5R0.5 NC(=O)C(F)F CS-0109914 [1,1,0,0,0,0|2,0,0]=4 570 B5R0.5 NC(O)C(=O)O CS-0380752 [1,1,0,0,0,0|2,0,0]=4 571 B5R0.5 O=C(O)C(F)Cl CS-0204955 [1,1,0,0,0,0|2,0,0]=4 572 B5R0.5 O=C(O)[C@H](F)Cl CS-0434926 [1,1,0,0,0,0|2,0,0]=4 573 B5R0.5 O=C([O-])C(F)F CS-0121641 [1,1,0,0,0,0|2,0,0]=4 574 B5R0.5 [C@@H](C)(N)C(=O)O CS-0044074 [1,1,0,0,0,0|1,0,0]=3 575 B5R0.2 BrCCCCBr CS-W020631 [1,1,0,0,0,0|1,0,1]=4 576 B5R0.2 C#CCCCBr CS-0147349 [1,1,0,0,0,0|1,0,1]=4 577 B5R0.2 C#CCCCCl CS-W009550 [1,1,0,0,0,0|1,0,1]=4 578 B5R0.2 C#CCCCI CS-0088561 [1,1,0,0,0,0|1,0,1]=4 579 B5R0.2 C#CCCCN CS-0038434 [1,1,0,0,0,0|1,0,1]=4 580 B5R0.2 C#CCCCO CS-W011358 [1,1,0,0,0,0|1,0,1]=4 581 B5R0.2 C=CCCCI CS-0135974 [1,1,0,0,0,0|1,0,0]=3 582 B5R0.2 C=CCCNC CS-0197692 [1,1,0,0,0,0|1,0,0]=3 583 B5R0.2 CCCCON CS-0106180 [1,1,0,0,0,0|0,0,2]=4 584 B5R0.2 CCNCCO CS-0076051 [1,1,0,0,0,0|0,0,2]=4 585 B5R0.2 CCSCCN CS-0663845 [1,1,0,0,0,0|1,0,1]=4 586 B5R0.2 CC\C=C\C=O CS-0173472 [1,1,0,0,0,0|0,0,1]=3 587 B5R0.2 CNCCC#N CS-W011357 [1,1,0,0,0,0|1,0,1]=4 588 B5R0.2 CNCCCCl CS-0150991 [1,1,0,0,0,0|1,0,1]=4 589 B5R0.2 CNCCCO CS-W007469 [1,1,0,0,0,0|0,0,2]=4 590 B5R0.2 COCCC#N CS-0030563 [1,1,0,0,0,0|1,0,1]=4 591 B5R0.2 COCCCBr CS-W010945 [1,1,0,0,0,0|1,0,1]=4 592 B5R0.2 COCCNN CS-0249520 [1,1,0,0,0,0|2,0,0]=4 593 B5R0.2 CSCCCO CS-0015993 [1,1,0,0,0,0|0,0,2]=4 594 B5R0.2 C\C=C\CCO CS-0162245 [1,1,0,0,0,0|1,0,1]=4 595 B5R0.2 ClCCCCBr CS-W017647 [1,1,0,0,0,0|1,0,1]=4 596 B5R0.2 ClCCCCI CS-W019348 [1,1,0,0,0,0|1,0,1]=4 597 B5R0.2 FCCCCBr CS-W018025 [1,1,0,0,0,0|1,0,1]=4 598 B5R0.2 ICCCCI CS-W004871 [1,1,0,0,0,0|1,0,1]=4 599 B5R0.2 N#CCCCBr CS-W004123 [1,1,0,0,0,0|1,0,1]=4 600 B5R0.2 N#CCCCCl CS-D1161 [1,1,0,0,0,0|1,0,1]=4 601 B5R0.2 N#CCOC=O CS-0181845 [1,1,0,0,0,0|1,0,1]=4 602 B5R0.2 NCCCCBr CS-W005399 [1,1,0,0,0,0|1,0,1]=4 603 B5R0.2 NCCCCCl CS-0158355 [1,1,0,0,0,0|1,0,1]=4 604 B5R0.2 NCCCCO CS-W002041 [1,1,0,0,0,0|0,0,2]=4 605 B5R0.2 OCCCCBr CS-W000344 [1,1,0,0,0,0|0,0,2]=4 606 B5R0.2 OCCCCCl CS-0022417 [1,1,0,0,0,0|0,0,2]=4 607 B5R0.2 OCCCCF CS-0116811 [1,1,0,0,0,0|0,0,2]=4 608 B7R0.2 C=CC(C)OC(C)=O CS-0139597 [0,2,0,0,0,0|0,0,2]=4 609 B7R0.2 CC(CCl)CN(C)C CS-W017630 [0,2,0,0,0,0|1,0,1]=4 610 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,2,0,0,0,0|1,0,1]=4 611 B7R0.2 CCC(C)CC(=O)O CS-W011229 [0,2,0,0,0,0|0,0,0]=2 612 B7R0.2 CCC(C)CC(C)N CS-W016309 [0,2,0,0,0,0|1,0,1]=4 613 B7R0.2 CCC(C)OC(=S)S CS-0182625 [0,2,0,0,0,0|0,1,0]=3 614 B7R0.2 CCC(N)CC(=O)O CS-W021843 [0,2,0,0,0,0|1,0,0]=3 615 B7R0.2 CCN(C)CC(=O)O CS-0144155 [0,2,0,0,0,0|1,0,0]=3 616 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [0,2,0,0,0,0|0,0,0]=2 617 B7R0.2 C\C(C=O)=C/N(C)C CS-M0504 [0,2,0,0,0,0|0,0,2]=4 618 B7R0.2 N[C@@H](CO)CC(=O)O CS-W006063 [0,2,0,0,0,0|2,0,0]=4 619 B7R0.2 N[C@H](CO)CC(=O)O CS-W021172 [0,2,0,0,0,0|2,0,0]=4 620 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [0,2,0,0,0,0|2,0,0]=4 621 B7R0.3 CC(C#N)CCC#N CS-0135421 [0,2,0,0,0,0|1,0,1]=4 622 B7R0.3 C[C@@H](CN)CCCO CS-0368510 [0,2,0,0,0,0|1,0,1]=4 623 B7R0.5 C#CCC(N)C(=O)O CS-W020864 [0,2,0,0,0,0|1,0,1]=4 624 B7R0.5 C#CC[C@@H](N)C(=O)O CS-W006437 [0,2,0,0,0,0|1,0,1]=4 625 B7R0.5 C#CC[C@H](N)C(=O)O CS-0101207 [0,2,0,0,0,0|1,0,1]=4 626 B7R0.5 C#CC[C@H](N)C(=O)O CS-W006064 [0,2,0,0,0,0|1,0,1]=4 627 B7R0.5 C=CCC(C)C(=O)O CS-W013638 [0,2,0,0,0,0|0,0,1]=3 628 B7R0.5 C=CCC(N)C(=O)O CS-0060001 [0,2,0,0,0,0|1,0,1]=4 629 B7R0.5 C=CC[C@H](N)C(=O)O CS-W013622 [0,2,0,0,0,0|1,0,1]=4 630 B7R0.5 C=CC[C@H](N)C(=O)O CS-W016311 [0,2,0,0,0,0|1,0,1]=4 631 B7R0.5 CC(=O)N(C)CCO CS-0112257 [0,2,0,0,0,0|1,0,0]=3 632 B7R0.5 CCCC(=O)C(C)=O CS-0258819 [0,2,0,0,0,0|1,0,1]=4 633 B7R0.5 CCCC(C)C(=O)O CS-W011232 [0,2,0,0,0,0|0,0,0]=2 634 B7R0.5 CCCC(N)C(=O)O CS-W011226 [0,2,0,0,0,0|1,0,0]=3 635 B7R0.5 CCC[C@@H](N)C(=O)O CS-0015963 [0,2,0,0,0,0|1,0,0]=3 636 B7R0.5 CCC[C@H](N)C(=O)O CS-D1371 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [0,2,0,0,0,0|1,0,0]=3 638 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [0,2,0,0,0,0|1,0,1]=4 639 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,2,0,0,0,0|1,0,1]=4 640 B7R0.5 CCOC(=O)C(C)=O CS-0017821 [0,2,0,0,0,0|1,0,1]=4 641 B7R0.5 CCOC(=O)C(N)=O CS-0008213 [0,2,0,0,0,0|1,0,1]=4 642 B7R0.5 CC\C=C(/C)C(=O)O CS-0031404 [0,2,0,0,0,0|0,0,1]=3 643 B7R0.5 CC\C=C(/C)C(=O)O CS-W011249 [0,2,0,0,0,0|0,0,1]=3 644 B7R0.5 CNC[C@H](N)C(=O)O CS-W016262 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.5 CNC[C@H](O)C(=O)O CS-1135890 [0,2,0,0,0,0|1,0,0]=3 646 B7R0.5 COCC(Br)C(=O)O CS-0197352 [0,2,0,0,0,0|1,0,0]=3 647 B7R0.5 COCC(N)C(=O)O CS-W013587 [0,2,0,0,0,0|1,0,0]=3 648 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [0,2,0,0,0,0|1,0,0]=3 649 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [0,2,0,0,0,0|1,0,0]=3 650 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [0,2,0,0,0,0|1,0,0]=3 651 B7R0.5 COC[C@H](N)C(=O)O CS-W006151 [0,2,0,0,0,0|1,0,0]=3 652 B7R0.5 CSCC(N)C(=O)O CS-0071070 [0,2,0,0,0,0|1,0,0]=3 653 B7R0.5 CSC[C@@H](N)C(=O)O CS-0804731 [0,2,0,0,0,0|1,0,0]=3 654 B7R0.5 CSC[C@H](N)C(=O)O CS-7653 [0,2,0,0,0,0|1,0,0]=3 655 B7R0.5 C[Se]C[C@H](N)C(=O)O CS-0080570 [0,2,0,0,0,0|1,0,0]=3 656 B7R0.5 N#CC[C@H](N)C(=O)O CS-0099303 [0,2,0,0,0,0|1,0,1]=4 657 B7R0.5 NC(CCO)C(=O)O CS-W013586 [0,2,0,0,0,0|1,0,0]=3 658 B7R0.5 NC(CCS)C(=O)O CS-W021561 [0,2,0,0,0,0|1,0,0]=3 659 B7R0.5 NCCC(F)C(=O)O CS-0094454 [0,2,0,0,0,0|1,0,0]=3 660 B7R0.5 NCCC(N)C(=O)O CS-W010735 [0,2,0,0,0,0|1,0,0]=3 661 B7R0.5 NCC[C@H](N)C(=O)O CS-0169369 [0,2,0,0,0,0|1,0,0]=3 662 B7R0.5 NCC[C@H](N)C(=O)O CS-6314 [0,2,0,0,0,0|1,0,0]=3 663 B7R0.5 NCC[C@H](O)C(=O)O CS-W002667 [0,2,0,0,0,0|1,0,0]=3 664 B7R0.5 N[C@@H](CCO)C(=O)O CS-W002292 [0,2,0,0,0,0|1,0,0]=3 665 B7R0.5 N[C@@H](CCS)C(=O)O CS-W011063 [0,2,0,0,0,0|1,0,0]=3 666 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [0,2,0,0,0,0|1,0,0]=3 667 B7R0.5 [C@@H](N)(CC=C)C(=O)O CS-W013623 [0,2,0,0,0,0|1,0,1]=4 668 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [0,2,0,0,0,0|1,0,0]=3 669 B7R0.7 CC(CCBr)CCBr CS-0182622 [0,2,0,0,0,0|1,0,1]=4 670 B7R0.7 CC(CCO)CCO CS-0188324 [0,2,0,0,0,0|0,0,2]=4 671 B7R0.10 CCC(=O)C(=O)CC CS-W013639 [0,2,0,0,0,0|1,0,1]=4 672 B7R0.10 CCC(=O)C(=O)O[Na] CS-W005355 [0,2,0,0,0,0|1,0,1]=4 673 B7R0.10 CCC(=O)N(C)OC CS-0122993 [0,2,0,0,0,0|2,0,0]=4 674 B7R0.10 CCC(N)C(=O)OC CS-W018067 [0,2,0,0,0,0|1,0,0]=3 675 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [0,2,0,0,0,0|1,0,0]=3 676 B7R0.10 CC[C@@H](O)C(=O)OC CS-0099841 [0,2,0,0,0,0|1,0,0]=3 677 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [0,2,0,0,0,0|1,0,0]=3 678 B7R0.10 CC[C@H](O)C(=O)OC CS-0138542 [0,2,0,0,0,0|1,0,0]=3 679 B7R0.10 CN[C@@H](C)C(=O)OC CS-0068182 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.10 COC(=O)C(Br)CO CS-0187469 [0,2,0,0,0,0|2,0,0]=4 681 B7R0.10 COC(=O)C(C)CN CS-0253549 [0,2,0,0,0,0|1,0,0]=3 682 B7R0.10 COC(=O)C(C)CO CS-0697290 [0,2,0,0,0,0|1,0,0]=3 683 B7R0.10 COC(=O)C(Cl)OC CS-0698983 [0,2,0,0,0,0|2,0,0]=4 684 B7R0.10 COC(=O)C(N)CO CS-W014338 [0,2,0,0,0,0|2,0,0]=4 685 B7R0.10 COC(=O)C(N)CS CS-0150913 [0,2,0,0,0,0|2,0,0]=4 686 B7R0.10 COC(=O)C(O)CN CS-0042395 [0,2,0,0,0,0|2,0,0]=4 687 B7R0.10 COC(=O)C(O)CO CS-0454216 [0,2,0,0,0,0|2,0,0]=4 688 B7R0.10 COC(=O)[C@@H](C)CBr CS-0130400 [0,2,0,0,0,0|1,0,0]=3 689 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,2,0,0,0,0|1,0,0]=3 690 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [0,2,0,0,0,0|2,0,0]=4 691 B7R0.10 COC(=O)[C@@H](N)CS CS-4557 [0,2,0,0,0,0|2,0,0]=4 692 B7R0.10 COC(=O)[C@@H](O)CN CS-0131698 [0,2,0,0,0,0|2,0,0]=4 693 B7R0.10 COC(=O)[C@@H](O)CO CS-W000794 [0,2,0,0,0,0|2,0,0]=4 694 B7R0.10 COC(=O)[C@H](C)CBr CS-0158189 [0,2,0,0,0,0|1,0,0]=3 695 B7R0.10 COC(=O)[C@H](C)CO CS-0019967 [0,2,0,0,0,0|1,0,0]=3 696 B7R0.10 COC(=O)[C@H](N)CCl CS-W017536 [0,2,0,0,0,0|2,0,0]=4 697 B7R0.10 COC(=O)[C@H](N)CS CS-W020211 [0,2,0,0,0,0|2,0,0]=4 698 B7R0.10 COC(=O)[C@H](O)CO CS-W023221 [0,2,0,0,0,0|2,0,0]=4 699 B7R0.10 COC(C)C(=O)NN CS-0278862 [0,2,0,0,0,0|1,0,0]=3 700 B7R0.10 CON(C)C(=O)CCl CS-W001106 [0,2,0,0,0,0|2,0,0]=4 701 B7R0.10 CON(C)C(=O)CN CS-0646800 [0,2,0,0,0,0|2,0,0]=4 702 B7R0.10 NC(CO)C(=O)NO CS-0142371 [0,2,0,0,0,0|2,0,0]=4 703 B7R0.10 NNC(=O)C(N)CO CS-0149906 [0,2,0,0,0,0|2,0,0]=4 704 B7R0.10 O=C[C@H](O)[C@H](O)CO CS-0066906 [0,2,0,0,0,0|1,0,0]=3 705 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [0,2,0,0,0,0|2,0,0]=4 706 B7R0.10 [C@H](C)(CC)[C@H](N)CO CS-W016591 [0,2,0,0,0,0|0,0,2]=4 707 B7R0.11 COC(C)(C)CCN CS-0540694 [0,2,0,0,0,0|2,0,0]=4 708 B7R0.11 COC(C)(C)CCO CS-0132453 [0,2,0,0,0,0|2,0,0]=4 709 B7R0.12 CCC(\C=N\O)CC CS-0849967 [0,2,0,0,0,0|0,0,1]=3 710 B7R0.12 CCCC(CO)CO CS-W011220 [0,2,0,0,0,0|0,0,2]=4 711 B7R0.12 COC(CCBr)OC CS-W023200 [0,2,0,0,0,0|2,0,0]=4 712 B7R0.12 COCC(OC)OC CS-0150200 [0,2,0,0,0,0|2,0,0]=4 713 B7R0.13 C#CC(C)(C)C(=O)O CS-W018866 [0,2,0,0,0,0|0,0,2]=4 714 B7R0.13 C=CC(C)(C)C(=O)O CS-W006345 [0,2,0,0,0,0|0,0,2]=4 715 B7R0.13 CC(=O)C(C)(C)C#N CS-0006089 [0,2,0,0,0,0|1,0,1]=4 716 B7R0.13 CC(C)(C#N)C(=O)O CS-0066959 [0,2,0,0,0,0|1,0,1]=4 717 B7R0.13 CC(C)(CCl)C(=O)O CS-0140560 [0,2,0,0,0,0|1,0,0]=3 718 B7R0.13 CC(C)(CF)C(=O)O CS-W005928 [0,2,0,0,0,0|1,0,0]=3 719 B7R0.13 CC(C)(CN)C(=O)O CS-0107300 [0,2,0,0,0,0|1,0,0]=3 720 B7R0.13 CC(C)(CN)C(N)=O CS-W003343 [0,2,0,0,0,0|1,0,0]=3 721 B7R0.13 CC(C)(CO)C(=O)O CS-W011224 [0,2,0,0,0,0|1,0,0]=3 722 B7R0.13 CC(C)(ON)C(=O)O CS-0377037 [0,2,0,0,0,0|2,0,0]=4 723 B7R0.13 CCC(C)(C)C(=O)O CS-W016597 [0,2,0,0,0,0|0,0,0]=2 724 B7R0.13 CCC(C)(O)C(=O)O CS-W016590 [0,2,0,0,0,0|0,0,0]=2 725 B7R0.13 CC[C@@](C)(N)C(=O)O CS-W008544 [0,2,0,0,0,0|0,0,0]=2 726 B7R0.13 CC[C@](C)(N)C(=O)O CS-0433358 [0,2,0,0,0,0|0,0,0]=2 727 B7R0.13 CC[C@](C)(N)C(=O)O CS-W020180 [0,2,0,0,0,0|0,0,0]=2 728 B7R0.13 CNC(C)(C)C(=O)O CS-0142453 [0,2,0,0,0,0|1,0,0]=3 729 B7R0.13 COC(C)(C)C(=O)O CS-0046912 [0,2,0,0,0,0|1,0,0]=3 730 B7R0.13 C[C@@](N)(CO)C(=O)O CS-0136603 [0,2,0,0,0,0|1,0,0]=3 731 B7R0.13 C[C@@](N)(CS)C(=O)O CS-0308069 [0,2,0,0,0,0|1,0,0]=3 732 B7R0.13 C[C@@](O)(CBr)C(=O)O CS-W017072 [0,2,0,0,0,0|1,0,0]=3 733 B7R0.13 C[C@](N)(CO)C(=O)O CS-W008467 [0,2,0,0,0,0|1,0,0]=3 734 B7R0.13 C[C@](O)(CBr)C(=O)O CS-W019154 [0,2,0,0,0,0|1,0,0]=3 735 B7R0.13 NCC(F)(F)C(=O)O CS-W000458 [0,2,0,0,0,0|2,0,0]=4 736 B7R0.14 CCC(C)S(=O)(=O)O CS-0864131 [0,2,0,0,0,0|1,0,0]=3 737 B7R0.15 CC(C)C(CN)CO CS-0144311 [0,2,0,0,0,0|0,0,2]=4 738 B7R0.15 CCC(CC)C(=O)[O-] CS-0152606 [0,2,0,0,0,0|0,0,0]=2 739 B7R0.15 CCC(CC)C(C)=O CS-0149235 [0,2,0,0,0,0|0,0,0]=2 740 B7R0.15 CCC(CC)C(N)=O CS-0214584 [0,2,0,0,0,0|0,0,0]=2 741 B7R0.15 CCN(CC)C(=S)S CS-0187366 [0,2,0,0,0,0|1,1,0]=4 742 B7R0.15 CCN(CC)C(C)=O CS-W009545 [0,2,0,0,0,0|1,0,0]=3 743 B7R0.15 COC(OC)C(C)Br CS-W017071 [0,2,0,0,0,0|2,0,0]=4 744 B7R0.15 O=C(O)C(CBr)CBr CS-0003905 [0,2,0,0,0,0|1,0,0]=3 745 B7R0.15 [C@@H](CO)(NC)C(=O)O CS-W013588 [0,2,0,0,0,0|1,0,0]=3 746 B7R0.16 CC(=O)C(C)C(C)=O CS-0095844 [0,2,0,0,0,0|0,0,1]=3 747 B7R0.16 CC(=O)C(N)C(C)=O CS-0216785 [0,2,0,0,0,0|1,0,1]=4 748 B7R0.16 CC(C(=O)O)C(=O)O CS-0027817 [0,2,0,0,0,0|1,0,1]=4 749 B7R0.16 CC(C)C(=O)C(=O)O CS-W006057 [0,2,0,0,0,0|1,0,1]=4 750 B7R0.16 CC(C)C(Br)C(=O)O CS-0498321 [0,2,0,0,0,0|1,0,0]=3 751 B7R0.16 CC(C)C(C)C(=O)O CS-0138076 [0,2,0,0,0,0|0,0,0]=2 752 B7R0.16 CC(C)C(Cl)C(=O)O CS-0343571 [0,2,0,0,0,0|1,0,0]=3 753 B7R0.16 CC(C)C(N)C(=O)O CS-W013605 [0,2,0,0,0,0|1,0,0]=3 754 B7R0.16 CC(C)C(O)C(=O)O CS-W008150 [0,2,0,0,0,0|1,0,0]=3 755 B7R0.16 CC(C)[C@@H](Br)C(=O)O CS-W017175 [0,2,0,0,0,0|1,0,0]=3 756 B7R0.16 CC(C)[C@@H](N)C(=O)O CS-0010218 [0,2,0,0,0,0|1,0,0]=3 757 B7R0.16 CC(C)[C@@H](N)C(N)=O CS-W002589 [0,2,0,0,0,0|1,0,0]=3 758 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [0,2,0,0,0,0|1,0,0]=3 759 B7R0.16 CC(C)[C@H](Cl)C(=O)O CS-0198767 [0,2,0,0,0,0|1,0,0]=3 760 B7R0.16 CC(C)[C@H](N)C(=O)O CS-W020706 [0,2,0,0,0,0|1,0,0]=3 761 B7R0.16 CC(C)[C@H](N)C(N)=O CS-W008135 [0,2,0,0,0,0|1,0,0]=3 762 B7R0.16 CC(C)[C@H](O)C(=O)O CS-0000171 [0,2,0,0,0,0|1,0,0]=3 763 B7R0.16 CC(O)C(C)C(=O)O CS-0116129 [0,2,0,0,0,0|0,0,0]=2 764 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0158278 [0,2,0,0,0,0|1,0,0]=3 765 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CS-W001959 [0,2,0,0,0,0|1,0,0]=3 766 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-W020046 [0,2,0,0,0,0|1,0,0]=3 767 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O CS-W021072 [0,2,0,0,0,0|1,0,0]=3 768 B7R0.16 C[C@H](C(=O)O)N(C)C CS-0158218 [0,2,0,0,0,0|1,0,0]=3 769 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CS-W013590 [0,2,0,0,0,0|1,0,0]=3 770 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O CS-W008315 [0,2,0,0,0,0|1,0,0]=3 771 B7R0.18 CCC(Br)(CC)CC CS-0197400 [0,2,0,0,0,0|1,0,1]=4 772 B7R0.18 CCC(N)(CO)CO CS-0089934 [0,2,0,0,0,0|0,0,2]=4 773 B5R1.2 BrC1CCC1 CS-0044363 [1,0,0,1,0,0|1,0,0]=3 774 B5R1.2 BrC1CNC1 CS-0051440 [1,0,0,1,0,0|2,0,0]=4 775 B5R1.2 BrC1COC1 CS-D1251 [1,0,0,1,0,0|2,0,0]=4 776 B5R1.2 CC1CCN1 CS-0051841 [1,0,0,1,0,0|1,0,0]=3 777 B5R1.2 CC1CNC1 CS-W019342 [1,0,0,1,0,0|1,0,1]=4 778 B5R1.2 C[C@@H]1CCN1 CS-0100346 [1,0,0,1,0,0|1,0,0]=3 779 B5R1.2 ClC1CNC1 CS-0051403 [1,0,0,1,0,0|2,0,0]=4 780 B5R1.2 FC1CNC1 CS-W001606 [1,0,0,1,0,0|2,0,0]=4 781 B5R1.2 IC1COC1 CS-W017022 [1,0,0,1,0,0|2,0,0]=4 782 B5R1.2 NC1CCC1 CS-0006655 [1,0,0,1,0,0|1,0,0]=3 783 B5R1.2 NC1CNC1 CS-W022573 [1,0,0,1,0,0|2,0,0]=4 784 B5R1.2 NC1COC1 CS-W018946 [1,0,0,1,0,0|2,0,0]=4 785 B5R1.2 NC1CSC1 CS-0045517 [1,0,0,1,0,0|2,0,0]=4 786 B5R1.2 O=C1CCN1 CS-W011364 [1,0,0,1,0,0|1,0,1]=4 787 B5R1.2 O=C1CNC1 CS-W019264 [1,0,0,1,0,0|1,0,1]=4 788 B5R1.2 O=C1COC1 CS-M1912 [1,0,0,1,0,0|1,0,1]=4 789 B5R1.2 O=C1CSC1 CS-B0978 [1,0,0,1,0,0|1,0,1]=4 790 B5R1.2 OC1CCC1 CS-W013758 [1,0,0,1,0,0|0,0,1]=3 791 B5R1.2 OC1CNC1 CS-0084651 [1,0,0,1,0,0|1,0,1]=4 792 B5R1.2 OC1CNC1 CS-D0673 [1,0,0,1,0,0|1,0,1]=4 793 B5R1.2 OC1COC1 CS-W007362 [1,0,0,1,0,0|1,0,1]=4 794 B5R1.2 OC1CSC1 CS-0045447 [1,0,0,1,0,0|1,0,1]=4 795 B5R1.3 BrCC1CC1 CS-W020194 [1,0,0,1,0,0|1,0,1]=4 796 B5R1.3 CNC1CC1 CS-W019814 [1,0,0,1,0,0|1,0,1]=4 797 B5R1.3 ClCC1CS1 CS-0232950 [1,0,0,1,0,0|1,1,0]=4 798 B5R1.3 ICC1CC1 CS-0056033 [1,0,0,1,0,0|1,0,1]=4 799 B5R1.3 NCC1CC1 CS-0132848 [1,0,0,1,0,0|1,0,1]=4 800 B5R1.3 NNC1CC1 CS-B1049 [1,0,0,1,0,0|2,0,0]=4 801 B5R1.3 NNC1CC1 CS-W000619 [1,0,0,1,0,0|2,0,0]=4 802 B5R1.3 OCC1CO1 CS-0016001 [1,0,0,1,0,0|1,0,1]=4 803 B5R1.4 N[C@@H]1C[C@@H]1F CS-0101187 [1,0,0,1,0,0|2,0,0]=4 804 B5R1.4 N[C@@H]1C[C@H]1F CS-0143339 [1,0,0,1,0,0|2,0,0]=4 805 B5R1.4 N[C@H]1C[C@H]1F CS-0143340 [1,0,0,1,0,0|2,0,0]=4 806 B5R1.5 CC1(N)CC1 CS-W003769 [1,0,0,1,0,0|1,0,0]=3 807 B5R1.1 C1=CCNC1 CS-W016634 [1,0,0,1,0,0|2,0,0]=4 808 B5R1.1 C1CCNC1 CS-0162629 [1,0,0,1,0,0|1,0,1]=4 809 B5R1.1 C1CNNC1 CS-0210819 [1,0,0,1,0,0|2,0,0]=4 810 B5R1.1 C1CNOC1 CS-0179756 [1,0,0,1,0,0|1,0,1]=4 811 B7R1.1 BrCC1CCCC1 CS-W004985 [0,1,0,1,0,0|1,0,1]=4 812 B7R1.1 BrCC1CCOC1 CS-W004268 [0,1,0,1,0,0|0,0,2]=4 813 B7R1.1 C#CC1CCOC1 CS-0170800 [0,1,0,1,0,0|1,0,1]=4 814 B7R1.1 CCC1CCCN1 CS-0454761 [0,1,0,1,0,0|1,0,1]=4 815 B7R1.1 CC[C@H]1CCCN1 CS-0197308 [0,1,0,1,0,0|1,0,1]=4 816 B7R1.1 CN[C@H]1CCOC1 CS-0053255 [0,1,0,1,0,0|0,0,2]=4 817 B7R1.1 COC1CCNC1 CS-0039937 [0,1,0,1,0,0|1,0,1]=4 818 B7R1.1 COC1CCNC1 CS-W004880 [0,1,0,1,0,0|1,0,1]=4 819 B7R1.1 CO[C@@H]1CCNC1 CS-0053757 [0,1,0,1,0,0|1,0,1]=4 820 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,1,0,1,0,0|1,0,1]=4 821 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,1,0,1,0,0|1,0,1]=4 822 B7R1.1 FC[C@@H]1CCCN1 CS-0053450 [0,1,0,1,0,0|1,0,1]=4 823 B7R1.1 ICC1CCCC1 CS-0309298 [0,1,0,1,0,0|1,0,1]=4 824 B7R1.1 ICC1CCOC1 CS-W004269 [0,1,0,1,0,0|0,0,2]=4 825 B7R1.1 N#CC1CCCC1 CS-0072286 [0,1,0,1,0,0|1,0,1]=4 826 B7R1.1 N#CC1CCOC1 CS-W004270 [0,1,0,1,0,0|1,0,1]=4 827 B7R1.1 N#CC1ccCC1 CS-0378542 [0,1,0,1,0,0|1,0,1]=4 828 B7R1.1 N#C[C@@H]1CCCN1 CS-W002962 [0,1,0,1,0,0|1,0,1]=4 829 B7R1.1 N#C[C@@H]1CCNC1 CS-0053310 [0,1,0,1,0,0|1,0,1]=4 830 B7R1.1 N#C[C@H]1CCCN1 CS-0102312 [0,1,0,1,0,0|1,0,1]=4 831 B7R1.1 N#C[C@H]1CCNC1 CS-0053245 [0,1,0,1,0,0|1,0,1]=4 832 B7R1.1 NCC1CCCC1 CS-D0472 [0,1,0,1,0,0|1,0,1]=4 833 B7R1.1 NCC1CCCN1 CS-0019253 [0,1,0,1,0,0|1,0,1]=4 834 B7R1.1 NCC1CCOC1 CS-W004787 [0,1,0,1,0,0|0,0,2]=4 835 B7R1.1 NC[C@@H]1CCCO1 CS-0438150 [0,1,0,1,0,0|1,0,1]=4 836 B7R1.1 NC[C@@H]1CCCO1 CS-W011316 [0,1,0,1,0,0|1,0,1]=4 837 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [0,1,0,1,0,0|0,0,2]=4 838 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [0,1,0,1,0,0|0,0,2]=4 839 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [0,1,0,1,0,0|0,0,2]=4 840 B7R1.1 NNC1CCCC1 CS-D0525 [0,1,0,1,0,0|2,0,0]=4 841 B7R1.1 O=CC1CCOC1 CS-W004272 [0,1,0,1,0,0|0,0,0]=2 842 B7R1.1 O=CN1CCCC1 CS-0155290 [0,1,0,1,0,0|1,0,0]=3 843 B7R1.1 O=NN1CCCC1 CS-0199565 [0,1,0,1,0,0|2,0,0]=4 844 B7R1.1 OCC1CC=CC1 CS-W003141 [0,1,0,1,0,0|2,0,0]=4 845 B7R1.1 OCC1CCCC1 CS-W001923 [0,1,0,1,0,0|0,0,2]=4 846 B7R1.1 OCC1CCCN1 CS-W007622 [0,1,0,1,0,0|0,0,2]=4 847 B7R1.1 OCC1CCNC1 CS-W019882 [0,1,0,1,0,0|0,0,2]=4 848 B7R1.1 OCC1CCOC1 CS-D1159 [0,1,0,1,0,0|0,0,2]=4 849 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,1,0,1,0,0|0,0,2]=4 850 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,1,0,1,0,0|0,0,2]=4 851 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,1,0,1,0,0|0,0,2]=4 852 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,1,0,1,0,0|0,0,2]=4 853 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,1,0,1,0,0|0,0,2]=4 854 B7R1.1 [C@@H]1(CN)CCCN1 CS-0043760 [0,1,0,1,0,0|1,0,1]=4 855 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,1,0,1,0,0|1,0,1]=4 856 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [0,1,0,1,0,0|0,0,2]=4 857 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,1,0,1,0,0|0,0,1]=3 858 B7R1.2 CC1C=CC(=O)O1 CS-0152699 [0,1,0,1,0,0|0,0,2]=4 859 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,1,0,1,0,0|0,0,0]=2 860 B7R1.2 CC1CNC(=O)C1 CS-0040667 [0,1,0,1,0,0|1,0,0]=3 861 B7R1.2 CC1COC(=O)N1 CS-0181060 [0,1,0,1,0,0|1,0,0]=3 862 B7R1.2 CN1CCC(=O)C1 CS-0172438 [0,1,0,1,0,0|1,0,0]=3 863 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,1,0,1,0,0|0,0,0]=2 864 B7R1.2 C[C@@H]1CC[C@@H](C)N1 CS-0111299 [0,1,0,1,0,0|1,0,1]=4 865 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [0,1,0,1,0,0|1,0,0]=3 866 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [0,1,0,1,0,0|1,0,0]=3 867 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [0,1,0,1,0,0|1,0,0]=3 868 B7R1.2 C[C@@H]1CSC(=S)N1 CS-0634153 [0,1,0,1,0,0|1,1,0]=4 869 B7R1.2 C[C@@H]1C[C@H](O)CN1 CS-0053223 [0,1,0,1,0,0|2,0,0]=4 870 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [0,1,0,1,0,0|1,0,0]=3 871 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,1,0,1,0,0|0,0,0]=2 872 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,1,0,1,0,0|1,0,0]=3 873 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,1,0,1,0,0|1,0,0]=3 874 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,1,0,1,0,0|1,0,0]=3 875 B7R1.2 C[C@H]1CSC(=S)N1 CS-0643969 [0,1,0,1,0,0|1,1,0]=4 876 B7R1.2 C[C@H]1C[C@@H](O)CN1 CS-0053292 [0,1,0,1,0,0|2,0,0]=4 877 B7R1.2 NC1CNC(=O)C1 CS-W023257 [0,1,0,1,0,0|2,0,0]=4 878 B7R1.2 N[C@@H]1CNC(=O)C1 CS-W003954 [0,1,0,1,0,0|2,0,0]=4 879 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,1,0,1,0,0|2,0,0]=4 880 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,1,0,1,0,0|2,0,0]=4 881 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,1,0,1,0,0|2,0,0]=4 882 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,1,0,1,0,0|1,0,1]=4 883 B7R1.2 O=C1CCC(=O)N1 CS-0019112 [0,1,0,1,0,0|1,0,1]=4 884 B7R1.2 O=C1CCC(=O)O1 CS-0011581 [0,1,0,1,0,0|1,0,1]=4 885 B7R1.2 O=C1CCC(O)C1 CS-0051334 [0,1,0,1,0,0|1,0,0]=3 886 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,1,0,1,0,0|2,0,0]=4 887 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [0,1,0,1,0,0|2,0,0]=4 888 B7R1.2 O=C1OCC(Cl)O1 CS-0046028 [0,1,0,1,0,0|2,0,0]=4 889 B7R1.2 O=C1OCC(F)O1 CS-0155468 [0,1,0,1,0,0|2,0,0]=4 890 B7R1.2 O[C@@H]1C=C[C@H](O)C1 CS-0056064 [0,1,0,1,0,0|2,0,0]=4 891 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,1,0,1,0,0|2,0,0]=4 892 B7R1.3 BrC1C=CCCC1 CS-0173469 [0,1,0,1,0,0|2,0,0]=4 893 B7R1.3 CC1=CCCNC1 CS-0050445 [0,1,0,1,0,0|1,0,1]=4 894 B7R1.3 CC1=CCNCC1 CS-W004399 [0,1,0,1,0,0|1,0,1]=4 895 B7R1.3 CC1CCOCC1 CS-0233092 [0,1,0,1,0,0|0,0,2]=4 896 B7R1.3 CC1CCOCO1 CS-0181838 [0,1,0,1,0,0|0,0,2]=4 897 B7R1.3 CC1CNCCO1 CS-0152670 [0,1,0,1,0,0|1,0,1]=4 898 B7R1.3 CC1CNCCO1 CS-D1584 [0,1,0,1,0,0|1,0,1]=4 899 B7R1.3 CC1COCCN1 CS-W009058 [0,1,0,1,0,0|0,0,2]=4 900 B7R1.3 CC1SCCCS1 CS-0094743 [0,1,0,1,0,0|2,0,0]=4 901 B7R1.3 C[C@@H]1CCCCN1 CS-W019137 [0,1,0,1,0,0|1,0,1]=4 902 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,1,0,1,0,0|1,0,1]=4 903 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,1,0,1,0,0|1,0,1]=4 904 B7R1.3 C[C@@H]1CNCCO1 CS-0019313 [0,1,0,1,0,0|1,0,1]=4 905 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,1,0,1,0,0|1,0,1]=4 906 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,1,0,1,0,0|0,0,2]=4 907 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,1,0,1,0,0|0,0,2]=4 908 B7R1.3 C[C@H]1CCCCN1 CS-0145867 [0,1,0,1,0,0|1,0,1]=4 909 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,1,0,1,0,0|1,0,1]=4 910 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,1,0,1,0,0|0,0,2]=4 911 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,1,0,1,0,0|0,0,2]=4 912 B7R1.3 NC1CC=CCC1 CS-0076943 [0,1,0,1,0,0|2,0,0]=4 913 B7R1.3 OC1C=CCCC1 CS-W011333 [0,1,0,1,0,0|2,0,0]=4 914 B7R1.3 OC1CC=CCC1 CS-0161778 [0,1,0,1,0,0|2,0,0]=4 915 B7R1.3 [C@H]1(C)CCCCN1 CS-0044046 [0,1,0,1,0,0|1,0,1]=4 916 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,1,0,1,0,0|1,0,1]=4 917 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,1,0,1,0,0|1,0,1]=4 918 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,1,0,1,0,0|1,0,1]=4 919 B7R1.4 CC1=CCCC1=O CS-0180943 [0,1,0,1,0,0|0,0,1]=3 920 B7R1.4 CC1CCNC1=O CS-W004958 [0,1,0,1,0,0|0,0,0]=2 921 B7R1.4 CC1CCOC1=O CS-0152675 [0,1,0,1,0,0|0,0,0]=2 922 B7R1.4 CC1OCCC1=O CS-W011324 [0,1,0,1,0,0|0,0,0]=2 923 B7R1.4 CC1OCCC1S CS-W013594 [0,1,0,1,0,0|0,1,1]=4 924 B7R1.4 CC1SCCC1=O CS-W011228 [0,1,0,1,0,0|0,0,0]=2 925 B7R1.4 CN1CCCC1=O CS-0017258 [0,1,0,1,0,0|1,0,0]=3 926 B7R1.4 CN1CCCC1=S CS-W013619 [0,1,0,1,0,0|1,1,0]=4 927 B7R1.4 CN1CCN=C1N CS-0158097 [0,1,0,1,0,0|2,0,0]=4 928 B7R1.4 CN1CCNC1=O CS-W005507 [0,1,0,1,0,0|1,0,0]=3 929 B7R1.4 CN1CCNC1=S CS-0214960 [0,1,0,1,0,0|1,1,0]=4 930 B7R1.4 CN1CCOC1=O CS-W016647 [0,1,0,1,0,0|1,0,0]=3 931 B7R1.4 CN1N=CCC1=O CS-0151202 [0,1,0,1,0,0|1,0,1]=4 932 B7R1.4 C[C@H]1CNC[C@@H]1O CS-0035605 [0,1,0,1,0,0|0,0,2]=4 933 B7R1.4 NC1CCNC1=O CS-0113495 [0,1,0,1,0,0|1,0,0]=3 934 B7R1.4 NC1CCOC1=O CS-0051531 [0,1,0,1,0,0|1,0,0]=3 935 B7R1.4 NC1CCSC1=O CS-0021300 [0,1,0,1,0,0|1,0,0]=3 936 B7R1.4 NC1CONC1=O CS-W008440 [0,1,0,1,0,0|2,0,0]=4 937 B7R1.4 NN1CCCC1=O CS-D0019 [0,1,0,1,0,0|2,0,0]=4 938 B7R1.4 NN1CCOC1=O CS-W013698 [0,1,0,1,0,0|2,0,0]=4 939 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [0,1,0,1,0,0|1,0,0]=3 940 B7R1.4 N[C@@H]1CCOC1=O CS-0022064 [0,1,0,1,0,0|1,0,0]=3 941 B7R1.4 N[C@@H]1CCSC1=O CS-0375845 [0,1,0,1,0,0|1,0,0]=3 942 B7R1.4 N[C@@H]1CONC1=O CS-2395 [0,1,0,1,0,0|2,0,0]=4 943 B7R1.4 N[C@H]1CCNC1=O CS-W021173 [0,1,0,1,0,0|1,0,0]=3 944 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,1,0,1,0,0|1,0,0]=3 945 B7R1.4 N[C@H]1CCSC1=O CS-6394 [0,1,0,1,0,0|1,0,0]=3 946 B7R1.4 N[C@H]1CONC1=O CS-4717 [0,1,0,1,0,0|2,0,0]=4 947 B7R1.4 O=C1CCC=C1O CS-W019237 [0,1,0,1,0,0|1,0,1]=4 948 B7R1.4 O=C1NCCC1O CS-W005201 [0,1,0,1,0,0|1,0,0]=3 949 B7R1.4 O=C1NCC[C@@H]1O CS-W003342 [0,1,0,1,0,0|1,0,0]=3 950 B7R1.4 O=C1NCC[C@H]1F CS-0500742 [0,1,0,1,0,0|1,0,0]=3 951 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,1,0,1,0,0|1,0,0]=3 952 B7R1.4 O=C1OCCC1Br CS-W001104 [0,1,0,1,0,0|1,0,0]=3 953 B7R1.4 O=C1OCCC1O CS-W013699 [0,1,0,1,0,0|1,0,0]=3 954 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [0,1,0,1,0,0|1,0,0]=3 955 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,1,0,1,0,0|1,0,0]=3 956 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,1,0,1,0,0|1,0,0]=3 957 B7R1.6 COCC1CNC1 CS-W023140 [0,1,0,1,0,0|1,0,1]=4 958 B7R1.6 N#CC=C1CCC1 CS-0183324 [0,1,0,1,0,0|1,0,1]=4 959 B7R1.6 NOCC1CCC1 CS-0145228 [0,1,0,1,0,0|0,0,2]=4 960 B7R1.6 OCCC1COC1 CS-0052216 [0,1,0,1,0,0|0,0,2]=4 961 B7R1.8 CN1CC[C@@H]1CO CS-0172773 [0,1,0,1,0,0|0,0,2]=4 962 B7R1.9 OC[C@H]1C[C@H]1CO CS-0053077 [0,1,0,1,0,0|0,0,2]=4 963 B7R1.10 C=C1CC(CO)C1 CS-0185403 [0,1,0,1,0,0|2,0,0]=4 964 B7R1.10 CC1CC(CN)C1 CS-0036376 [0,1,0,1,0,0|1,0,1]=4 965 B7R1.10 CC1CC(CO)C1 CS-0215900 [0,1,0,1,0,0|0,0,2]=4 966 B7R1.10 CN1CC(CN)C1 CS-0053644 [0,1,0,1,0,0|1,0,1]=4 967 B7R1.10 CN1CC(CN)C1 CS-0183702 [0,1,0,1,0,0|1,0,1]=4 968 B7R1.10 CN1CC(CO)C1 CS-0053643 [0,1,0,1,0,0|0,0,2]=4 969 B7R1.10 CNC1CC(O)C1 CS-0051674 [0,1,0,1,0,0|2,0,0]=4 970 B7R1.10 CNC1CN(C)C1 CS-0048839 [0,1,0,1,0,0|2,0,0]=4 971 B7R1.10 COC1CC(=O)C1 CS-0051289 [0,1,0,1,0,0|1,0,0]=3 972 B7R1.10 COC1CC(N)C1 CS-0051290 [0,1,0,1,0,0|2,0,0]=4 973 B7R1.10 COC1CC(O)C1 CS-0056983 [0,1,0,1,0,0|2,0,0]=4 974 B7R1.10 CO[C@H]1C[C@H](N)C1 CS-0045545 [0,1,0,1,0,0|2,0,0]=4 975 B7R1.10 N#CC1CC(=O)C1 CS-W004195 [0,1,0,1,0,0|1,0,1]=4 976 B7R1.10 N#CC1CC(O)C1 CS-0051336 [0,1,0,1,0,0|1,0,1]=4 977 B7R1.10 NCC1CC(=O)C1 CS-0045539 [0,1,0,1,0,0|1,0,0]=3 978 B7R1.10 N[C@H]1C[C@@H](CO)C1 CS-0049714 [0,1,0,1,0,0|0,0,2]=4 979 B7R1.10 O=C1CC(CBr)C1 CS-0043859 [0,1,0,1,0,0|1,0,0]=3 980 B7R1.10 O=C1CC(CCl)C1 CS-0054362 [0,1,0,1,0,0|1,0,0]=3 981 B7R1.10 O=C1CC(CO)C1 CS-0045541 [0,1,0,1,0,0|1,0,0]=3 982 B7R1.10 OCC1CC(Cl)C1 CS-0044084 [0,1,0,1,0,0|0,0,2]=4 983 B7R1.10 OCC1CC(O)C1 CS-0186717 [0,1,0,1,0,0|0,0,2]=4 984 B7R1.21 CC1(CCBr)N=N1 CS-0197123 [0,1,0,1,0,0|2,0,0]=4 985 B7R1.21 CC1(CCO)N=N1 CS-0144524 [0,1,0,1,0,0|2,0,0]=4 986 B7R1.25 CC1(C#N)CNC1 CS-0038571 [0,1,0,1,0,0|1,0,1]=4 987 B7R1.25 CC1(C=O)COC1 CS-W019097 [0,1,0,1,0,0|0,0,0]=2 988 B7R1.25 CC1(CBr)CCC1 CS-0070089 [0,1,0,1,0,0|1,0,1]=4 989 B7R1.25 CC1(CBr)COC1 CS-W002970 [0,1,0,1,0,0|1,0,1]=4 990 B7R1.25 CC1(CI)COC1 CS-0051679 [0,1,0,1,0,0|1,0,1]=4 991 B7R1.25 CC1(CN)CCC1 CS-0045540 [0,1,0,1,0,0|1,0,1]=4 992 B7R1.25 CC1(CN)COC1 CS-W008726 [0,1,0,1,0,0|1,0,1]=4 993 B7R1.25 CC1(CO)CCC1 CS-0072446 [0,1,0,1,0,0|0,0,2]=4 994 B7R1.25 CC1(CO)COC1 CS-W007726 [0,1,0,1,0,0|0,0,2]=4 995 B7R1.25 CNC1(C)COC1 CS-0054899 [0,1,0,1,0,0|2,0,0]=4 996 B7R1.25 COC1(C)CNC1 CS-0035135 [0,1,0,1,0,0|2,0,0]=4 997 B7R1.25 N#CC1(O)CCC1 CS-0039879 [0,1,0,1,0,0|1,0,1]=4 998 B7R1.25 NC1(CO)CCC1 CS-0053661 [0,1,0,1,0,0|0,0,2]=4 999 B7R1.25 NCC1(O)CCC1 CS-W005666 [0,1,0,1,0,0|1,0,1]=4 1000 B7R1.12 CC1CC1C(=O)O CS-0072900 [0,1,0,1,0,0|0,0,0]=2 1001 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [0,1,0,1,0,0|0,0,0]=2 1002 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [0,1,0,1,0,0|0,0,0]=2 1003 B7R1.12 O=C(O)C1CC1F CS-W006378 [0,1,0,1,0,0|1,0,0]=3 1004 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [0,1,0,1,0,0|1,0,0]=3 1005 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [0,1,0,1,0,0|1,0,0]=3 1006 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-0058705 [0,1,0,1,0,0|1,0,0]=3 1007 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [0,1,0,1,0,0|1,0,0]=3 1008 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS-0053630 [0,1,0,1,0,0|1,0,0]=3 1009 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [0,1,0,1,0,0|1,0,0]=3 1010 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-W020398 [0,1,0,1,0,0|1,0,0]=3 1011 B7R1.18 CC(N)C1CCC1 CS-0052584 [0,1,0,1,0,0|1,0,1]=4 1012 B7R1.18 CC(O)C1CCC1 CS-W006217 [0,1,0,1,0,0|0,0,2]=4 1013 B7R1.18 NC(=O)C1CCC1 CS-D0904 [0,1,0,1,0,0|0,0,0]=2 1014 B7R1.18 O=C(O)C1=CCC1 CS-0155456 [0,1,0,1,0,0|0,0,2]=4 1015 B7R1.18 O=C(O)C1CCC1 CS-W011325 [0,1,0,1,0,0|0,0,0]=2 1016 B7R1.18 O=C(O)C1CCN1 CS-M0178 [0,1,0,1,0,0|1,0,0]=3 1017 B7R1.18 O=C(O)C1CCO1 CS-W006382 [0,1,0,1,0,0|1,0,0]=3 1018 B7R1.18 O=C(O)C1CNC1 CS-0067915 [0,1,0,1,0,0|1,0,0]=3 1019 B7R1.18 O=C(O)C1CNC1 CS-W019846 [0,1,0,1,0,0|1,0,0]=3 1020 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0031389 [0,1,0,1,0,0|1,0,0]=3 1021 B7R1.18 O=C(O)[C@@H]1CCO1 CS-0148269 [0,1,0,1,0,0|1,0,0]=3 1022 B7R1.18 O=C(O)[C@H]1CCN1 CS-W018478 [0,1,0,1,0,0|1,0,0]=3 1023 B7R1.18 OB(O)C1CCC1 CS-W001218 [0,1,0,1,0,0|1,0,1]=4 1024 B7R1.19 CC(=O)C1(Cl)CC1 CS-0186210 [0,1,0,1,0,0|1,0,0]=3 1025 B7R1.19 CC1(C(=O)O)CC1 CS-W000087 [0,1,0,1,0,0|0,0,0]=2 1026 B7R1.19 NC(=O)C1(Br)CC1 CS-0138277 [0,1,0,1,0,0|1,0,0]=3 1027 B7R1.19 NC(=O)C1(N)CC1 CS-0036086 [0,1,0,1,0,0|1,0,0]=3 1028 B7R1.19 NC1(C(=O)O)CC1 CS-0003966 [0,1,0,1,0,0|1,0,0]=3 1029 B7R1.19 NC1(C(=O)O)CC1 CS-B0091 [0,1,0,1,0,0|1,0,0]=3 1030 B7R1.19 O=C(O)C1(Br)CC1 CS-0043838 [0,1,0,1,0,0|1,0,0]=3 1031 B7R1.19 O=C(O)C1(O)CC1 CS-W011313 [0,1,0,1,0,0|1,0,0]=3 1032 B7R1.14 CC1(C)CCCN1 CS-W021476 [0,1,0,1,0,0|2,0,0]=4 1033 B7R1.14 CC1(C)CCNC1 CS-0051614 [0,1,0,1,0,0|1,0,1]=4 1034 B7R1.14 CC1(F)CCNC1 CS-0051362 [0,1,0,1,0,0|1,0,1]=4 1035 B7R1.14 CC1(N)CCCC1 CS-0119714 [0,1,0,1,0,0|1,0,1]=4 1036 B7R1.14 CC1(N)CCOC1 CS-0184318 [0,1,0,1,0,0|0,0,2]=4 1037 B7R1.14 CC1(O)CCNC1 CS-W001685 [0,1,0,1,0,0|1,0,1]=4 1038 B7R1.14 CC1(O)CCNC1 CS-W021967 [0,1,0,1,0,0|1,0,1]=4 1039 B7R1.14 C[C@@]1(O)CCNC1 CS-0053323 [0,1,0,1,0,0|1,0,1]=4 1040 B7R1.14 C[C@@]1(O)CCNC1 CS-0183805 [0,1,0,1,0,0|1,0,1]=4 1041 B7R1.14 C[C@]1(O)CCNC1 CS-0053259 [0,1,0,1,0,0|1,0,1]=4 1042 B7R1.29 BrCC1(CBr)CC1 CS-0088398 [0,1,0,1,0,0|1,0,1]=4 1043 B7R1.29 COC1(CN)CC1 CS-0085230 [0,1,0,1,0,0|1,0,1]=4 1044 B7R1.29 COC1(CO)CC1 CS-0138990 [0,1,0,1,0,0|0,0,2]=4 1045 B7R1.29 N#CC1(CBr)CC1 CS-W001266 [0,1,0,1,0,0|1,0,1]=4 1046 B7R1.29 N#CC1(CN)CC1 CS-0036989 [0,1,0,1,0,0|1,0,1]=4 1047 B7R1.29 N#CC1(CO)CC1 CS-D0565 [0,1,0,1,0,0|1,0,1]=4 1048 B7R1.29 NCC1(CO)CC1 CS-0072215 [0,1,0,1,0,0|0,0,2]=4 1049 B7R1.29 OCC1(CO)CC1 CS-W002626 [0,1,0,1,0,0|0,0,2]=4 1050 B7R2.13 C1=CC2OC2C1 CS-0670603 [0,0,0,2,0,0|2,0,0]=4 1051 B7R2.13 C1NCC2CC12 CS-W005878 [0,0,0,2,0,0|1,0,1]=4 1052 B7R2.16 C1CC12CNC2 CS-0136041 [0,0,0,2,0,0|1,0,1]=4