0 B5R0.1 C#CCC(=O)O CS-W004784 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 C=CCC(=O)O CS-0069849 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 C=CC[C@H](C)O CS-0081915 [0,0,0,0,0,0|0,0,4]=4 3 B5R0.1 CC#CC(=O)O CS-W007936 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CC(=O)CCCl CS-W022162 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CC(=O)CCN CS-0209803 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(=O)NCO CS-0061075 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CC(=O)OCBr CS-0090812 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CC(=O)OCCl CS-0139458 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CC(C)=CCCl CS-0204351 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 CC(C)=CCN CS-0236946 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CC(C)=CCO CS-W013751 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CC(C)\C=N\O CS-W000111 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CCCC(=N)N CS-W013544 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 CCCC(=O)O CS-0977378 [0,0,0,0,0,0|1,0,2]=3 15 B5R0.1 CCCC(N)=O CS-0130522 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.1 CCC[C@@H](C)N CS-0162182 [0,0,0,0,0,0|1,0,3]=4 17 B5R0.1 CCC[C@H](C)N CS-W006528 [0,0,0,0,0,0|1,0,3]=4 18 B5R0.1 CCNC(N)=O CS-W011351 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 CCNC(N)=S CS-0180914 [0,0,0,0,0,0|2,1,1]=4 20 B5R0.1 CCOC(=N)N CS-W019160 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 CCOC(C)=N CS-W008601 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.1 CCOC(N)=O CS-4731 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.1 CCSC(=N)N CS-0021039 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 CN(C)NC=O CS-M2144 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 CNCC(=O)O CS-W013507 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.1 CNCC(=O)O CS-W018511 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.1 CNCC(C)O CS-0216704 [0,0,0,0,0,0|1,0,3]=4 28 B5R0.1 CNCC(N)=O CS-W011178 [0,0,0,0,0,0|2,0,1]=3 29 B5R0.1 COCC(=N)N CS-W003564 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 COCC(=O)O CS-W020123 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.1 COC[C@@H](C)N CS-W019198 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.1 COC[C@H](C)N CS-0148795 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.1 COC[C@H](C)O CS-0031378 [0,0,0,0,0,0|1,0,3]=4 34 B5R0.1 CSCC(=O)O CS-0015159 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.1 CSCC(N)=O CS-0150088 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.1 CSCS(C)=O CS-0146450 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.1 C\C(N)=C\C#N CS-0005803 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.1 C\C=C\B(O)O CS-0086306 [0,0,0,0,0,0|2,0,1]=3 39 B5R0.1 C\C=C\C(=O)O CS-0017976 [0,0,0,0,0,0|1,0,0]=1 40 B5R0.1 C\C=C\C(C)=O CS-0022376 [0,0,0,0,0,0|0,0,0]=0 41 B5R0.1 C\C=C\C(C)=O CS-0513711 [0,0,0,0,0,0|0,0,0]=0 42 B5R0.1 N#CCC(=O)[O-] CS-0162555 [0,0,0,0,0,0|2,0,2]=4 43 B5R0.1 NC(=O)CCBr CS-0046169 [0,0,0,0,0,0|2,0,2]=4 44 B5R0.1 NC(=O)CCCl CS-0204808 [0,0,0,0,0,0|2,0,2]=4 45 B5R0.1 NC(=O)CCO CS-0205185 [0,0,0,0,0,0|2,0,2]=4 46 B5R0.1 NCCC(=O)O CS-0668359 [0,0,0,0,0,0|2,0,2]=4 47 B5R0.1 NCCC(=O)O CS-W020126 [0,0,0,0,0,0|2,0,2]=4 48 B5R0.1 NOCC(=O)O CS-8158 [0,0,0,0,0,0|3,0,1]=4 49 B5R0.1 O=C(O)CCF CS-0038385 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.1 O=C(O)CCI CS-0204563 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.1 O=C(O)CCO CS-0147832 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.1 O=C(O)\C=C/Cl CS-0196837 [0,0,0,0,0,0|2,0,0]=2 53 B5R0.1 O=C(O)\C=C/I CS-0668652 [0,0,0,0,0,0|2,0,0]=2 54 B5R0.1 O=C(O)\C=C\Br CS-0063842 [0,0,0,0,0,0|2,0,0]=2 55 B5R0.1 O=C(O)\C=C\I CS-0092724 [0,0,0,0,0,0|2,0,0]=2 56 B4R0.1 C#CC(N)=O CS-0022393 [1,0,0,0,0,0|1,0,2]=4 57 B4R0.1 C(=O)C(=O)O CS-0031458 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 C=C(C)CN CS-0204398 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 C=CC(=O)O CS-0356466 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.1 C=CC(=O)O CS-0356467 [1,0,0,0,0,0|1,0,0]=2 61 B4R0.1 C=CC(=O)O CS-0356469 [1,0,0,0,0,0|1,0,0]=2 62 B4R0.1 C=CC(=O)O CS-0356470 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.1 C=CC(=O)O CS-0356471 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.1 C=CC(C)N CS-0173225 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 C=CC(N)=O CS-0255029 [1,0,0,0,0,0|1,0,0]=2 66 B4R0.1 C=CC(N)=O CS-0255030 [1,0,0,0,0,0|1,0,0]=2 67 B4R0.1 CC(=N)NO CS-W008635 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.1 CC(=O)C=O CS-0031856 [1,0,0,0,0,0|1,0,0]=2 69 B4R0.1 CC(=O)CN CS-W004850 [1,0,0,0,0,0|1,0,1]=3 70 B4R0.1 CC(=O)CO CS-0017823 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.1 CC(=O)NBr CS-0142503 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 CC(=O)NN CS-D1403 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 CC(=O)NO CS-4881 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 CC(=O)O[Ag] CS-0082496 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.1 CC(=O)O[K] CS-W020131 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.1 CC(C)=NO CS-W009556 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.1 CCC(=N)N CS-W019290 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 CCC(=N)S CS-W016672 [1,0,0,0,0,0|1,1,1]=4 79 B4R0.1 CCC(N)=O CS-W016688 [1,0,0,0,0,0|1,0,1]=3 80 B4R0.1 CC[C@@H](C)N CS-0379054 [1,0,0,0,0,0|1,0,2]=4 81 B4R0.1 CC[C@@H](C)O CS-0128797 [1,0,0,0,0,0|0,0,3]=4 82 B4R0.1 CC[C@H](C)N CS-0084847 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.1 CNC(=N)N CS-W005028 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.1 CNC(=N)S CS-W011347 [1,0,0,0,0,0|2,1,0]=4 85 B4R0.1 CNC(C)=O CS-0031873 [1,0,0,0,0,0|1,0,0]=2 86 B4R0.1 CNC(N)=O CS-W016687 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 CNN(C)C CS-M2145 [1,0,0,0,0,0|3,0,0]=4 88 B4R0.1 COC(=N)N CS-0114088 [1,0,0,0,0,0|3,0,0]=4 89 B4R0.1 COC(=N)N CS-W017615 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.1 COC(=N)N CS-W019574 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.1 COC(N)=O CS-0017839 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.1 CS(=O)O[Na] CS-0019422 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.1 CSC(=N)N CS-0011749 [1,0,0,0,0,0|3,0,0]=4 94 B4R0.1 CSC(=N)N CS-0134406 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.1 CSC(=N)N CS-0199730 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.1 NC(=O)CBr CS-W007330 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 NC(=O)CI CS-0020050 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.1 NC(=O)CO CS-W016686 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.1 NC(=O)NO CS-2353 [1,0,0,0,0,0|3,0,0]=4 100 B4R0.1 NCC(=O)O CS-0158475 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.1 NCC(=O)O CS-0187433 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.1 NCC(=O)O CS-B1641 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.1 NCC(N)=O CS-0149938 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.1 NCC(N)=O CS-W019695 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.1 NNC(N)=O CS-W018530 [1,0,0,0,0,0|3,0,0]=4 106 B4R0.1 O=C(O)[Ba]O CS-0015804 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.1 O=C([Co])OO CS-0111382 [1,0,0,0,0,0|3,0,0]=4 108 B4R0.1 O=C([Cu])OO CS-0188508 [1,0,0,0,0,0|3,0,0]=4 109 B4R0.1 O=CC(=O)O CS-W019807 [1,0,0,0,0,0|2,0,0]=3 110 B4R0.1 O=C[Pb](=O)O CS-B1715 [1,0,0,0,0,0|3,0,0]=4 111 B4R0.1 [2H]C(=O)O[Na] CS-0542325 [1,0,0,0,0,0|3,0,0]=4 112 B4R0.2 CCNC=O CS-0187584 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.2 CCNCC CS-0160324 [1,0,0,0,0,0|1,0,2]=4 114 B4R0.2 CCOC=N CS-0333913 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.2 CSCSC CS-W013673 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.2 O=COO[Cs] CS-0534192 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.2 O=COO[Cs] CS-W008901 [1,0,0,0,0,0|3,0,0]=4 118 B4R0.2 O=COO[K] CS-0644452 [1,0,0,0,0,0|3,0,0]=4 119 B4R0.2 O=COO[Rb] CS-0146110 [1,0,0,0,0,0|3,0,0]=4 120 B4R0.2 O=C[N-]C=O CS-0170804 [1,0,0,0,0,0|2,0,0]=3 121 B4R0.2 [Li]OOC=O CS-0013647 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.1 C#CC(=O)NCC CS-0168077 [0,1,0,0,0,0|1,0,2]=4 123 B6R0.1 C=CC(=O)NCC CS-W013719 [0,1,0,0,0,0|1,0,2]=4 124 B6R0.1 C=CCC(=O)OC CS-0158011 [0,1,0,0,0,0|0,0,2]=3 125 B6R0.1 CC#CC(=O)OC CS-0066219 [0,1,0,0,0,0|0,0,2]=3 126 B6R0.1 CCC(=O)COC CS-0213932 [0,1,0,0,0,0|1,0,1]=3 127 B6R0.1 CCCC(=O)NN CS-0152447 [0,1,0,0,0,0|1,0,2]=4 128 B6R0.1 CCNC(=O)CBr CS-0239382 [0,1,0,0,0,0|1,0,1]=3 129 B6R0.1 CCOC(=O)C#N CS-0022374 [0,1,0,0,0,0|1,0,2]=4 130 B6R0.1 CCOC(=O)CN CS-W020007 [0,1,0,0,0,0|1,0,1]=3 131 B6R0.1 CCOC(=O)CO CS-W019892 [0,1,0,0,0,0|1,0,1]=3 132 B6R0.1 CCOC(=O)NN CS-W008412 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,1,0,0,0,0|1,0,2]=4 134 B6R0.1 CNC(=O)CC#N CS-W018827 [0,1,0,0,0,0|1,0,2]=4 135 B6R0.1 CNC(=O)CCCl CS-0143787 [0,1,0,0,0,0|1,0,2]=4 136 B6R0.1 CNC(=O)CCO CS-0188403 [0,1,0,0,0,0|1,0,2]=4 137 B6R0.1 CNCC(=O)O[Na] CS-0077129 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.1 COC(=O)C#CBr CS-0043861 [0,1,0,0,0,0|1,0,2]=4 139 B6R0.1 COC(=O)C#CI CS-0513737 [0,1,0,0,0,0|1,0,2]=4 140 B6R0.1 COC(=O)CC#N CS-W016657 [0,1,0,0,0,0|1,0,2]=4 141 B6R0.1 COC(=O)CCBr CS-W008728 [0,1,0,0,0,0|1,0,2]=4 142 B6R0.1 COC(=O)CCCl CS-0131786 [0,1,0,0,0,0|1,0,2]=4 143 B6R0.1 COC(=O)CCI CS-0615889 [0,1,0,0,0,0|1,0,2]=4 144 B6R0.1 COC(=O)CCN CS-W007648 [0,1,0,0,0,0|1,0,2]=4 145 B6R0.1 COC(=O)CCO CS-0022864 [0,1,0,0,0,0|1,0,2]=4 146 B6R0.1 COC(=O)CCS CS-0000049 [0,1,0,0,0,0|1,0,2]=4 147 B6R0.1 COC(=O)OCCl CS-0067504 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.1 COC(=O)\C=C/I CS-0150951 [0,1,0,0,0,0|1,0,0]=2 149 B6R0.1 COC(=O)\C=C\I CS-0042162 [0,1,0,0,0,0|1,0,0]=2 150 B6R0.1 COCC(=O)NN CS-W005634 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.1 O=C(CCl)NCO CS-0147071 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.2 CC(=O)CC(N)=O CS-0134202 [0,1,0,0,0,0|1,0,1]=3 153 B6R0.2 CC(=O)CN(C)C CS-0204530 [0,1,0,0,0,0|1,0,1]=3 154 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [0,1,0,0,0,0|0,0,2]=3 155 B6R0.2 CC(=O)NC(C)C CS-M3536 [0,1,0,0,0,0|1,0,1]=3 156 B6R0.2 CC(=O)OC(C)Br CS-0135277 [0,1,0,0,0,0|1,0,1]=3 157 B6R0.2 CC(=O)[CH-]C(C)=O CS-0196895 [0,1,0,0,0,0|0,0,1]=2 158 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [0,1,0,0,0,0|0,0,0]=1 159 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085298 [0,1,0,0,0,0|0,0,0]=1 160 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085476 [0,1,0,0,0,0|0,0,0]=1 161 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0105902 [0,1,0,0,0,0|0,0,0]=1 162 B6R0.2 CC(C)=CB(O)O CS-0046252 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.2 CC(C)=CC(=O)O CS-W011327 [0,1,0,0,0,0|1,0,0]=2 164 B6R0.2 CC(C)CC(=O)O CS-0881782 [0,1,0,0,0,0|1,0,2]=4 165 B6R0.2 CC(C)CC(=O)O CS-W013696 [0,1,0,0,0,0|1,0,2]=4 166 B6R0.2 CC(C)NC(N)=O CS-0162822 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.2 CC(C)OC(N)=O CS-0119929 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.2 CC(N)CC(=O)O CS-W009549 [0,1,0,0,0,0|1,0,2]=4 169 B6R0.2 CC(O)CC(=O)O CS-0062335 [0,1,0,0,0,0|1,0,2]=4 170 B6R0.2 CC(O)CC(N)=O CS-0435186 [0,1,0,0,0,0|1,0,2]=4 171 B6R0.2 CN(C)CC(=O)O CS-D1391 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.2 CN(C)CC(=O)O CS-W001158 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [0,1,0,0,0,0|1,0,2]=4 174 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [0,1,0,0,0,0|1,0,2]=4 175 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [0,1,0,0,0,0|1,0,2]=4 176 B6R0.2 C\C(Cl)=C/C(=O)O CS-0834363 [0,1,0,0,0,0|1,0,0]=2 177 B6R0.2 C\C(Cl)=C\C(=O)O CS-0834361 [0,1,0,0,0,0|1,0,0]=2 178 B6R0.2 C\C(O)=N\C(=N)N CS-W007823 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.2 N=C(N)CC(N)=O CS-W018503 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.2 N=C(N)NC(N)=O CS-0128792 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.2 NC(=O)CC(=O)O CS-0149950 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.2 NC(=O)CC(N)=O CS-W011312 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.2 NC(=O)NC(N)=O CS-W016643 [0,1,0,0,0,0|3,0,0]=4 184 B6R0.2 O=C(O)[Ca]C(=O)O CS-0160132 [0,1,0,0,0,0|3,0,0]=4 185 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,1,0,0,0,0|1,0,2]=4 186 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,1,0,0,0,0|1,0,2]=4 187 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [0,1,0,0,0,0|1,0,2]=4 188 B6R0.3 C(C)=C(/C)C(=O)O CS-W009553 [0,1,0,0,0,0|1,0,0]=2 189 B6R0.3 C=C(C)C(=O)NC CS-0167922 [0,1,0,0,0,0|2,0,0]=3 190 B6R0.3 C=C(C)C(=O)O[Na] CS-W016633 [0,1,0,0,0,0|3,0,0]=4 191 B6R0.3 C=C(CBr)C(=O)O CS-W017896 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.3 C=CC(=O)N(C)C CS-0016062 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.3 C=CC(C)C(=O)O CS-0006592 [0,1,0,0,0,0|1,0,2]=4 194 B6R0.3 C=CN(C)C(C)=O CS-W013718 [0,1,0,0,0,0|1,0,1]=3 195 B6R0.3 C=C[C@@H](N)C(=O)O CS-0131608 [0,1,0,0,0,0|1,0,2]=4 196 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [0,1,0,0,0,0|1,0,2]=4 197 B6R0.3 CC(=O)C(=O)CBr CS-0199660 [0,1,0,0,0,0|1,0,1]=3 198 B6R0.3 CC(=O)C(=O)O[K] CS-0155155 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.3 CC(=O)C(=O)O[Na] CS-W016629 [0,1,0,0,0,0|2,0,0]=3 200 B6R0.3 CCC(=O)C(=O)O CS-W007926 [0,1,0,0,0,0|1,0,1]=3 201 B6R0.3 CCC(=O)C(C)=O CS-W013714 [0,1,0,0,0,0|0,0,1]=2 202 B6R0.3 CCC(=O)N(C)C CS-W001248 [0,1,0,0,0,0|2,0,1]=4 203 B6R0.3 CCC(=S)N(C)C CS-0160405 [0,1,0,0,0,0|2,0,1]=4 204 B6R0.3 CCC(Br)C(N)=O CS-0152635 [0,1,0,0,0,0|1,0,2]=4 205 B6R0.3 CCC(N)C(=O)O CS-W011306 [0,1,0,0,0,0|1,0,2]=4 206 B6R0.3 CCC(N)C(N)=O CS-0197483 [0,1,0,0,0,0|1,0,2]=4 207 B6R0.3 CCC(O)C(N)=O CS-0232591 [0,1,0,0,0,0|1,0,2]=4 208 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [0,1,0,0,0,0|1,0,2]=4 209 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [0,1,0,0,0,0|1,0,2]=4 210 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [0,1,0,0,0,0|1,0,2]=4 211 B6R0.3 CC[C@@H](N)C(N)=O CS-0011806 [0,1,0,0,0,0|1,0,2]=4 212 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [0,1,0,0,0,0|1,0,2]=4 213 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [0,1,0,0,0,0|1,0,2]=4 214 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [0,1,0,0,0,0|1,0,2]=4 215 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [0,1,0,0,0,0|1,0,2]=4 216 B6R0.3 CC[C@H](N)C(N)=O CS-0011803 [0,1,0,0,0,0|1,0,2]=4 217 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [0,1,0,0,0,0|1,0,2]=4 218 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [0,1,0,0,0,0|1,0,2]=4 219 B6R0.3 CNC(=O)C(=O)O CS-0113142 [0,1,0,0,0,0|2,0,0]=3 220 B6R0.3 CNC(=O)C(C)N CS-0154032 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.3 CNC(=O)[C@@H](C)N CS-0169315 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.3 CNC(=O)[C@H](C)N CS-0169314 [0,1,0,0,0,0|2,0,1]=4 223 B6R0.3 CNC(C)C(=O)O CS-W011307 [0,1,0,0,0,0|2,0,1]=4 224 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.3 COC(=O)C(=N)N CS-0038769 [0,1,0,0,0,0|3,0,0]=4 226 B6R0.3 COC(=O)C(C)=O CS-W013701 [0,1,0,0,0,0|1,0,0]=2 227 B6R0.3 COC(=O)C(C)Br CS-0154978 [0,1,0,0,0,0|2,0,1]=4 228 B6R0.3 COC(=O)C(C)N CS-W011040 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [0,1,0,0,0,0|2,0,1]=4 230 B6R0.3 COC(=O)[C@H](C)O CS-WAA0219 [0,1,0,0,0,0|1,0,2]=4 231 B6R0.3 COC(C)C(=O)O CS-W004806 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.3 CON(C)C(C)=O CS-W001095 [0,1,0,0,0,0|2,0,0]=3 233 B6R0.3 CO[C@@H](C)C(=O)O CS-D0537 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.3 C\C=C(/C)C(=O)O CS-0356606 [0,1,0,0,0,0|1,0,0]=2 235 B6R0.3 C\C=C(/C)C(=O)O CS-W013715 [0,1,0,0,0,0|1,0,0]=2 236 B6R0.3 NC(=O)C(=O)O[Na] CS-0109107 [0,1,0,0,0,0|3,0,0]=4 237 B6R0.3 NNC(=O)C(N)=O CS-0181798 [0,1,0,0,0,0|3,0,0]=4 238 B6R0.3 O=C(O)C(=O)CBr CS-5517 [0,1,0,0,0,0|2,0,1]=4 239 B6R0.3 O=C(O)C(=O)O[K] CS-0198035 [0,1,0,0,0,0|3,0,0]=4 240 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [0,1,0,0,0,0|2,0,1]=4 241 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [0,1,0,0,0,0|2,0,1]=4 242 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [0,1,0,0,0,0|2,0,1]=4 243 B6R0.3 [C@H](C)(OC)C(=O)O CS-0044100 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [0,1,0,0,0,0|1,0,2]=4 245 B6R0.4 C#CCNC(C)=O CS-0434175 [0,1,0,0,0,0|0,0,3]=4 246 B6R0.4 C#CCOC(C)=O CS-0158541 [0,1,0,0,0,0|0,0,3]=4 247 B6R0.4 C=CCCC(=O)O CS-W009138 [0,1,0,0,0,0|1,0,2]=4 248 B6R0.4 C=CCNC(N)=O CS-0197283 [0,1,0,0,0,0|1,0,2]=4 249 B6R0.4 CC(=O)CCCCl CS-W013569 [0,1,0,0,0,0|0,0,2]=3 250 B6R0.4 CC(=O)CCCO CS-0020001 [0,1,0,0,0,0|0,0,2]=3 251 B6R0.4 CC(=O)NCCO CS-W013689 [0,1,0,0,0,0|1,0,1]=3 252 B6R0.4 CC(=O)OCCBr CS-W007598 [0,1,0,0,0,0|1,0,1]=3 253 B6R0.4 CC(=O)OCCN CS-0657679 [0,1,0,0,0,0|1,0,1]=3 254 B6R0.4 CC(=O)OCCO CS-0154995 [0,1,0,0,0,0|1,0,1]=3 255 B6R0.4 CC(C)=CCCBr CS-0155165 [0,1,0,0,0,0|1,0,1]=3 256 B6R0.4 CCC#CC(=O)O CS-W013726 [0,1,0,0,0,0|1,0,2]=4 257 B6R0.4 CCCNC(C)=O CS-0246738 [0,1,0,0,0,0|0,0,2]=3 258 B6R0.4 CCCOC(N)=O CS-W019060 [0,1,0,0,0,0|1,0,2]=4 259 B6R0.4 CCNCC(=O)O CS-0201673 [0,1,0,0,0,0|1,0,2]=4 260 B6R0.4 CCOCC(=O)O CS-0071579 [0,1,0,0,0,0|1,0,2]=4 261 B6R0.4 CCSCC(=O)O CS-0197336 [0,1,0,0,0,0|1,0,2]=4 262 B6R0.4 CC\C=C\C(=O)O CS-0053528 [0,1,0,0,0,0|1,0,0]=2 263 B6R0.4 CN(C)\C=C\C#N CS-0376025 [0,1,0,0,0,0|2,0,1]=4 264 B6R0.4 CN(C)\C=C\C=O CS-M0766 [0,1,0,0,0,0|2,0,1]=4 265 B6R0.4 CNCCC(=O)O CS-0112815 [0,1,0,0,0,0|1,0,2]=4 266 B6R0.4 CNCCC(=O)O CS-0169148 [0,1,0,0,0,0|1,0,2]=4 267 B6R0.4 CNCCC(N)=O CS-0214971 [0,1,0,0,0,0|1,0,2]=4 268 B6R0.4 COCCC(=O)O CS-W009112 [0,1,0,0,0,0|1,0,2]=4 269 B6R0.4 CO\C=C\C(=O)O CS-0201343 [0,1,0,0,0,0|1,0,0]=2 270 B6R0.4 CO\C=C\C(C)=O CS-0145411 [0,1,0,0,0,0|0,0,0]=1 271 B6R0.4 CO\C=C\C(C)=O CS-W013712 [0,1,0,0,0,0|0,0,0]=1 272 B6R0.4 CS(=O)CCCN CS-0286765 [0,1,0,0,0,0|1,0,2]=4 273 B6R0.4 CSCCC(=O)O CS-6296 [0,1,0,0,0,0|1,0,2]=4 274 B6R0.4 CSCCC(C)=O CS-0206726 [0,1,0,0,0,0|0,0,2]=3 275 B6R0.4 C\C=C\CC(=O)O CS-0129103 [0,1,0,0,0,0|1,0,0]=2 276 B6R0.4 NC(=O)NCCCl CS-0317452 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.4 NCCCC(=O)O CS-W020704 [0,1,0,0,0,0|1,0,2]=4 278 B6R0.4 NCCCC(N)=O CS-0103894 [0,1,0,0,0,0|1,0,2]=4 279 B6R0.4 NCCNC(N)=O CS-0139236 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.4 O=C(O)C#CCO CS-0005249 [0,1,0,0,0,0|1,0,2]=4 281 B6R0.4 O=C(O)CCCBr CS-W016047 [0,1,0,0,0,0|1,0,2]=4 282 B6R0.4 O=C(O)CCCCl CS-W013545 [0,1,0,0,0,0|1,0,2]=4 283 B6R0.4 O=C(O)\C=C\CBr CS-0020044 [0,1,0,0,0,0|1,0,0]=2 284 B6R0.4 O=C(O)\C=C\CCl CS-0139553 [0,1,0,0,0,0|1,0,0]=2 285 B6R0.4 O=CNCC(=O)O CS-0102520 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.5 CCOS(C)(=O)=O CS-W016570 [0,1,0,0,0,0|2,0,1]=4 287 B6R0.5 C[Si](C)(C)\C=C\I CS-0022088 [0,1,0,0,0,0|2,1,0]=4 288 B6R1.2 BrC1=CC=NS1 CS-0157906 [0,0,0,1,0,0|2,1,0]=4 289 B6R1.2 BrC1=CSC=C1 CS-W009226 [0,0,0,1,0,0|2,0,1]=4 290 B6R1.2 BrC1=NNC=C1 CS-D0856 [0,0,0,1,0,0|3,0,0]=4 291 B6R1.2 BrC1=NOC=C1 CS-0039114 [0,0,0,1,0,0|3,0,0]=4 292 B6R1.2 CC1=CC=CN1 CS-W011360 [0,0,0,1,0,0|1,0,1]=3 293 B6R1.2 CC1=CC=CS1 CS-W011331 [0,0,0,1,0,0|0,1,1]=3 294 B6R1.2 CC1=CC=NO1 CS-0085310 [0,0,0,1,0,0|1,0,1]=3 295 B6R1.2 CC1=CN=CN1 CS-D1459 [0,0,0,1,0,0|2,0,1]=4 296 B6R1.2 CC1=CN=CS1 CS-W007489 [0,0,0,1,0,0|1,1,1]=4 297 B6R1.2 CC1=CN=NN1 CS-W004917 [0,0,0,1,0,0|3,0,0]=4 298 B6R1.2 CC1=CNN=C1 CS-4303 [0,0,0,1,0,0|3,0,0]=4 299 B6R1.2 CC1=COC=N1 CS-0028372 [0,0,0,1,0,0|2,0,1]=4 300 B6R1.2 CC1=CSC=N1 CS-W001245 [0,0,0,1,0,0|2,0,1]=4 301 B6R1.2 CC1=NC=CN1 CS-W019983 [0,0,0,1,0,0|2,0,1]=4 302 B6R1.2 CC1=NC=CO1 CS-0312016 [0,0,0,1,0,0|1,0,2]=4 303 B6R1.2 CC1=NC=CS1 CS-W002260 [0,0,0,1,0,0|1,1,1]=4 304 B6R1.2 CC1=NN=CN1 CS-M1664 [0,0,0,1,0,0|3,0,0]=4 305 B6R1.2 CC1=NN=CO1 CS-W018813 [0,0,0,1,0,0|3,0,0]=4 306 B6R1.2 CC1=NNC=C1 CS-B0947 [0,0,0,1,0,0|2,0,0]=3 307 B6R1.2 CC1=NON=C1 CS-0063186 [0,0,0,1,0,0|3,0,0]=4 308 B6R1.2 CN1C=CC=C1 CS-W001239 [0,0,0,1,0,0|2,0,1]=4 309 B6R1.2 CN1C=CN=C1 CS-0188308 [0,0,0,1,0,0|3,0,0]=4 310 B6R1.2 CN1C=CN=N1 CS-W018672 [0,0,0,1,0,0|3,0,0]=4 311 B6R1.2 CN1C=C[NH+]=C1 CS-0196814 [0,0,0,1,0,0|3,0,0]=4 312 B6R1.2 ClC1=CC=CS1 CS-W011216 [0,0,0,1,0,0|1,1,1]=4 313 B6R1.2 ClC1=CSC=C1 CS-W013592 [0,0,0,1,0,0|2,0,1]=4 314 B6R1.2 ClC1=NNC=C1 CS-W021893 [0,0,0,1,0,0|3,0,0]=4 315 B6R1.2 FC1=NNC=C1 CS-0035415 [0,0,0,1,0,0|3,0,0]=4 316 B6R1.2 IC1=CC=CS1 CS-W007589 [0,0,0,1,0,0|1,1,1]=4 317 B6R1.2 IC1=CSC=C1 CS-W004948 [0,0,0,1,0,0|2,0,1]=4 318 B6R1.2 IC1=NNC=C1 CS-D0881 [0,0,0,1,0,0|3,0,0]=4 319 B6R1.2 N=C1CCCS1 CS-W016514 [0,0,0,1,0,0|2,0,1]=4 320 B6R1.2 NC1=CC=NN1 CS-0032811 [0,0,0,1,0,0|3,0,0]=4 321 B6R1.2 NC1=CC=NO1 CS-W005361 [0,0,0,1,0,0|2,0,1]=4 322 B6R1.2 NC1=CC=NS1 CS-0160228 [0,0,0,1,0,0|2,1,0]=4 323 B6R1.2 NC1=CSC=C1 CS-0167153 [0,0,0,1,0,0|2,0,1]=4 324 B6R1.2 NC1=CSC=C1 CS-D0258 [0,0,0,1,0,0|2,0,1]=4 325 B6R1.2 NC1=CSC=C1 CS-D0330 [0,0,0,1,0,0|2,0,1]=4 326 B6R1.2 NC1=NCCC1 CS-B0123 [0,0,0,1,0,0|2,0,1]=4 327 B6R1.2 NC1=NNC=C1 CS-D1141 [0,0,0,1,0,0|3,0,0]=4 328 B6R1.2 NC1=NOC=C1 CS-W007329 [0,0,0,1,0,0|3,0,0]=4 329 B6R1.2 O=C1C=CCC1 CS-W011359 [0,0,0,1,0,0|0,0,0]=1 330 B6R1.2 O=C1C=CCO1 CS-W008270 [0,0,0,1,0,0|1,0,0]=2 331 B6R1.2 O=C1C=CCS1 CS-0348812 [0,0,0,1,0,0|1,0,0]=2 332 B6R1.2 O=C1C=CNN1 CS-W004179 [0,0,0,1,0,0|2,0,0]=3 333 B6R1.2 O=C1C=CSN1 CS-0005502 [0,0,0,1,0,0|2,0,0]=3 334 B6R1.2 O=C1CC=NN1 CS-W004408 [0,0,0,1,0,0|2,0,1]=4 335 B6R1.2 O=C1CCCN1 CS-0197058 [0,0,0,1,0,0|1,0,1]=3 336 B6R1.2 O=C1CCNC1 CS-W005267 [0,0,0,1,0,0|1,0,1]=3 337 B6R1.2 O=C1CCNN1 CS-W001151 [0,0,0,1,0,0|2,0,0]=3 338 B6R1.2 O=C1CCOC1 CS-D1574 [0,0,0,1,0,0|1,0,1]=3 339 B6R1.2 O=C1CCSC1 CS-W011310 [0,0,0,1,0,0|1,0,1]=3 340 B6R1.2 O=C1N=CNN1 CS-0044804 [0,0,0,1,0,0|3,0,0]=4 341 B6R1.2 O=C1NC=CN1 CS-W002186 [0,0,0,1,0,0|2,0,1]=4 342 B6R1.2 O=C1NCCN1 CS-0075560 [0,0,0,1,0,0|2,0,1]=4 343 B6R1.2 O=C1NCCO1 CS-W007548 [0,0,0,1,0,0|2,0,1]=4 344 B6R1.2 O=C1NCCS1 CS-W023026 [0,0,0,1,0,0|2,0,1]=4 345 B6R1.2 O=C1OC=CO1 CS-W013752 [0,0,0,1,0,0|2,0,1]=4 346 B6R1.2 O=S1CCCC1 CS-0207394 [0,0,0,1,0,0|1,0,2]=4 347 B6R1.2 OC1=NNC=C1 CS-0044191 [0,0,0,1,0,0|2,0,1]=4 348 B6R1.2 OC1=NOC=C1 CS-0047268 [0,0,0,1,0,0|2,0,1]=4 349 B6R1.2 OC1C=CCC1 CS-0451001 [0,0,0,1,0,0|0,0,2]=3 350 B6R1.2 SC1=CC=CS1 CS-W016596 [0,0,0,1,0,0|1,1,1]=4 351 B6R1.2 SC1=NCCC1 CS-W013703 [0,0,0,1,0,0|1,1,1]=4 352 B6R1.5 CN1CC(=O)C1 CS-0052428 [0,0,0,1,0,0|1,0,1]=3 353 B6R1.5 NC1CC(=O)C1 CS-W005321 [0,0,0,1,0,0|1,0,2]=4 354 B6R1.5 O=C1CC(O)C1 CS-0051337 [0,0,0,1,0,0|1,0,2]=4 355 B6R1.11 NC(=O)C1CC1 CS-W011356 [0,0,0,1,0,0|1,0,2]=4 356 B6R1.11 NC(=O)C1CO1 CS-0067053 [0,0,0,1,0,0|2,0,1]=4 357 B6R1.11 O=C(O)C1CC1 CS-W018339 [0,0,0,1,0,0|1,0,2]=4 358 B3R0.1 Br\C=C\Br CS-0197272 [2,0,0,0,0,0|2,0,0]=4 359 B3R0.1 C(=O)ON CS-0015274 [2,0,0,0,0,0|2,0,0]=4 360 B3R0.1 CCNC CS-0158300 [2,0,0,0,0,0|1,0,1]=4 361 B3R0.1 CNNC CS-0530458 [2,0,0,0,0,0|2,0,0]=4 362 B3R0.1 CNOC CS-D1361 [2,0,0,0,0,0|2,0,0]=4 363 B3R0.1 C[Se][Se]C CS-0199215 [2,0,0,0,0,0|2,0,0]=4 364 B3R0.1 O=CO[Na] CS-0129037 [2,0,0,0,0,0|2,0,0]=4 365 B3R0.1 [Li]OC=O CS-0158490 [2,0,0,0,0,0|2,0,0]=4 366 B3R0.2 C=[N+](C)C CS-0132319 [2,0,0,0,0,0|2,0,0]=4 367 B3R0.2 CC(=N)N CS-0850442 [2,0,0,0,0,0|2,0,0]=4 368 B3R0.2 CC(=O)O CS-0081928 [2,0,0,0,0,0|1,0,0]=3 369 B3R0.2 CC(=O)O CS-0144598 [2,0,0,0,0,0|1,0,0]=3 370 B3R0.2 CC(=O)O CS-0646220 [2,0,0,0,0,0|1,0,0]=3 371 B3R0.2 CC(=O)O CS-0886556 [2,0,0,0,0,0|1,0,0]=3 372 B3R0.2 CC(=O)O CS-W013740 [2,0,0,0,0,0|1,0,0]=3 373 B3R0.2 CC(=O)O CS-W019776 [2,0,0,0,0,0|1,0,0]=3 374 B3R0.2 CC(=O)[O-] CS-0084981 [2,0,0,0,0,0|1,0,0]=3 375 B3R0.2 CC(C)C CS-0035161 [2,0,0,0,0,0|1,0,1]=4 376 B3R0.2 CC(C)N CS-0154205 [2,0,0,0,0,0|1,0,1]=4 377 B3R0.2 CC(C)N CS-0182206 [2,0,0,0,0,0|1,0,1]=4 378 B3R0.2 CC(N)=O CS-0015934 [2,0,0,0,0,0|1,0,0]=3 379 B3R0.2 CC(N)=S CS-W018499 [2,0,0,0,0,0|1,1,0]=4 380 B3R0.2 CN(C)C CS-0204256 [2,0,0,0,0,0|2,0,0]=4 381 B3R0.2 CN(C)C CS-D1390 [2,0,0,0,0,0|2,0,0]=4 382 B3R0.2 CS(C)=O CS-B1637 [2,0,0,0,0,0|1,0,0]=3 383 B3R0.2 C[Cr](C)C CS-0137821 [2,0,0,0,0,0|2,0,0]=4 384 B3R0.2 C[In](C)C CS-0111736 [2,0,0,0,0,0|2,0,0]=4 385 B3R0.2 C[S+](C)Br CS-0311610 [2,0,0,0,0,0|2,0,0]=4 386 B3R0.2 C[S+](C)C CS-0128440 [2,0,0,0,0,0|2,0,0]=4 387 B3R0.2 C[S+](C)C CS-W008974 [2,0,0,0,0,0|2,0,0]=4 388 B3R0.2 NC(N)=O CS-0653234 [2,0,0,0,0,0|2,0,0]=4 389 B3R0.2 NC(N)=O CS-B1800 [2,0,0,0,0,0|2,0,0]=4 390 B5R0.3 C#CC(=O)NC CS-0202683 [1,1,0,0,0,0|0,0,2]=4 391 B5R0.3 C=CC(=O)NC CS-0134564 [1,1,0,0,0,0|0,0,0]=2 392 B5R0.3 C=CC(=O)O[K] CS-0196459 [1,1,0,0,0,0|1,0,0]=3 393 B5R0.3 C=CC(O)CO CS-W016675 [1,1,0,0,0,0|0,0,2]=4 394 B5R0.3 C=C[C@@H](N)CO CS-0089925 [1,1,0,0,0,0|1,0,1]=4 395 B5R0.3 C=C[C@H](N)CO CS-0088065 [1,1,0,0,0,0|1,0,1]=4 396 B5R0.3 CCC(=O)CBr CS-0131119 [1,1,0,0,0,0|0,0,1]=3 397 B5R0.3 CCC(=O)CN CS-W005374 [1,1,0,0,0,0|0,0,1]=3 398 B5R0.3 CCC(=O)CO CS-W005327 [1,1,0,0,0,0|0,0,1]=3 399 B5R0.3 CCC(=O)NC CS-0179730 [1,1,0,0,0,0|0,0,1]=3 400 B5R0.3 CCC(=O)NN CS-0206618 [1,1,0,0,0,0|1,0,1]=4 401 B5R0.3 CCC(=O)O[K] CS-0019431 [1,1,0,0,0,0|1,0,1]=4 402 B5R0.3 CCC(=O)O[Na] CS-0013802 [1,1,0,0,0,0|1,0,1]=4 403 B5R0.3 CCS(=O)CC CS-0199213 [1,1,0,0,0,0|1,0,1]=4 404 B5R0.3 CNC(=O)CBr CS-0023001 [1,1,0,0,0,0|1,0,0]=3 405 B5R0.3 CNC(=O)CCl CS-W007769 [1,1,0,0,0,0|1,0,0]=3 406 B5R0.3 CNC(=O)CI CS-0244983 [1,1,0,0,0,0|1,0,0]=3 407 B5R0.3 CNC(=O)CN CS-0008246 [1,1,0,0,0,0|1,0,0]=3 408 B5R0.3 CNC(=O)CN CS-0130384 [1,1,0,0,0,0|1,0,0]=3 409 B5R0.3 CNC(=S)NC CS-0071975 [1,1,0,0,0,0|1,1,0]=4 410 B5R0.3 COC(=N)CCl CS-0150960 [1,1,0,0,0,0|2,0,0]=4 411 B5R0.3 COC(=O)CI CS-0235696 [1,1,0,0,0,0|1,0,0]=3 412 B5R0.3 COC(=O)CN CS-W018508 [1,1,0,0,0,0|1,0,0]=3 413 B5R0.3 COC(=O)CO CS-W004068 [1,1,0,0,0,0|1,0,0]=3 414 B5R0.3 COC(=O)NN CS-0015902 [1,1,0,0,0,0|2,0,0]=4 415 B5R0.3 COC(=O)SCl CS-0313613 [1,1,0,0,0,0|2,0,0]=4 416 B5R0.3 CON(C)C=O CS-0128675 [1,1,0,0,0,0|2,0,0]=4 417 B5R0.3 COS(=O)OC CS-0230894 [1,1,0,0,0,0|2,0,0]=4 418 B5R0.3 NCC(=O)O[Na] CS-W016662 [1,1,0,0,0,0|2,0,0]=4 419 B5R0.3 NNC(=O)CCl CS-0199719 [1,1,0,0,0,0|2,0,0]=4 420 B5R0.3 NNC(=O)CO CS-W006527 [1,1,0,0,0,0|2,0,0]=4 421 B5R0.3 O=C(CBr)CBr CS-W020932 [1,1,0,0,0,0|1,0,1]=4 422 B5R0.3 O=C(CI)O[Na] CS-0014819 [1,1,0,0,0,0|2,0,0]=4 423 B5R0.3 O=C(CO)CO CS-W019614 [1,1,0,0,0,0|1,0,1]=4 424 B5R0.3 O=C(CS)O[Na] CS-0197966 [1,1,0,0,0,0|2,0,0]=4 425 B5R0.4 C=CS(=O)(=O)F CS-0197774 [1,1,0,0,0,0|2,0,0]=4 426 B5R0.4 C=CS(=O)(=O)[O-] CS-0157965 [1,1,0,0,0,0|2,0,0]=4 427 B5R0.4 C=CS(N)(=O)=O CS-0091212 [1,1,0,0,0,0|2,0,0]=4 428 B5R0.4 CCS(C)(=O)=O CS-0197307 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.4 CNS(C)(=O)=O CS-W008054 [1,1,0,0,0,0|2,0,0]=4 430 B5R0.4 COS(C)(=O)=O CS-W004702 [1,1,0,0,0,0|2,0,0]=4 431 B5R0.5 C=C(C)C(=O)[O-] CS-W012887 [1,1,0,0,0,0|1,0,0]=3 432 B5R0.5 C=C(C)C(N)=O CS-0031911 [1,1,0,0,0,0|1,0,0]=3 433 B5R0.5 C=C(Cl)C(=O)O CS-0187884 [1,1,0,0,0,0|1,0,0]=3 434 B5R0.5 C=C(F)C(=O)O CS-W005285 [1,1,0,0,0,0|1,0,0]=3 435 B5R0.5 CC(=O)C(=O)O CS-W020190 [1,1,0,0,0,0|1,0,0]=3 436 B5R0.5 CC(=O)C(=O)[O-] CS-W014944 [1,1,0,0,0,0|1,0,0]=3 437 B5R0.5 CC(=O)C(C)Br CS-0130132 [1,1,0,0,0,0|0,0,1]=3 438 B5R0.5 CC(=O)C(C)N CS-0105630 [1,1,0,0,0,0|0,0,1]=3 439 B5R0.5 CC(=O)C(F)F CS-0121252 [1,1,0,0,0,0|1,0,1]=4 440 B5R0.5 CC(=O)N(C)C CS-W023195 [1,1,0,0,0,0|1,0,0]=3 441 B5R0.5 CC(=O)[13C](=O)O CS-0514226 [1,1,0,0,0,0|1,0,0]=3 442 B5R0.5 CC(=O)[C@H](C)N CS-0197276 [1,1,0,0,0,0|0,0,1]=3 443 B5R0.5 CC(Br)C(N)=O CS-0139914 [1,1,0,0,0,0|1,0,1]=4 444 B5R0.5 CC(C)=C(C)Br CS-0188281 [1,1,0,0,0,0|1,0,0]=3 445 B5R0.5 CC(C)C(N)=O CS-W019979 [1,1,0,0,0,0|1,0,1]=4 446 B5R0.5 CC(F)C(=O)O CS-0180920 [1,1,0,0,0,0|1,0,1]=4 447 B5R0.5 CC(N)C(=O)O CS-0022544 [1,1,0,0,0,0|1,0,1]=4 448 B5R0.5 CC(N)C(N)=O CS-0186552 [1,1,0,0,0,0|1,0,1]=4 449 B5R0.5 CC(O)C(=O)O CS-0013338 [1,1,0,0,0,0|1,0,1]=4 450 B5R0.5 CC(O)C(=O)O CS-0031116 [1,1,0,0,0,0|1,0,1]=4 451 B5R0.5 CC(O)C(=O)O CS-0310546 [1,1,0,0,0,0|1,0,1]=4 452 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [1,1,0,0,0,0|1,0,1]=4 453 B5R0.5 CC(O)C(N)=O CS-0068194 [1,1,0,0,0,0|1,0,1]=4 454 B5R0.5 CN(C)C(N)=O CS-0132397 [1,1,0,0,0,0|2,0,0]=4 455 B5R0.5 C[C@@H](Cl)C(=O)O CS-0022394 [1,1,0,0,0,0|1,0,1]=4 456 B5R0.5 C[C@@H](F)C(N)=O CS-0637276 [1,1,0,0,0,0|1,0,1]=4 457 B5R0.5 C[C@@H](N)C(=O)O CS-W020127 [1,1,0,0,0,0|1,0,1]=4 458 B5R0.5 C[C@@H](N)C(N)=O CS-W005248 [1,1,0,0,0,0|1,0,1]=4 459 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [1,1,0,0,0,0|1,0,1]=4 460 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [1,1,0,0,0,0|1,0,1]=4 461 B5R0.5 C[C@H](Cl)C(=O)O CS-0020146 [1,1,0,0,0,0|1,0,1]=4 462 B5R0.5 C[C@H](F)C(N)=O CS-0637032 [1,1,0,0,0,0|1,0,1]=4 463 B5R0.5 C[C@H](N)C(=O)O CS-W020002 [1,1,0,0,0,0|1,0,1]=4 464 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [1,1,0,0,0,0|1,0,1]=4 465 B5R0.5 C[C@H](N)C(N)=O CS-0119942 [1,1,0,0,0,0|1,0,1]=4 466 B5R0.5 C[C@H](N)C(N)=O CS-0539407 [1,1,0,0,0,0|1,0,1]=4 467 B5R0.5 C[C@H](O)C(=O)O CS-0015266 [1,1,0,0,0,0|1,0,1]=4 468 B5R0.5 C[C@H](O)C(N)=O CS-0330478 [1,1,0,0,0,0|1,0,1]=4 469 B5R0.5 NC(=O)C(=O)O CS-W013748 [1,1,0,0,0,0|2,0,0]=4 470 B5R0.5 NC(=O)C(N)=O CS-W016676 [1,1,0,0,0,0|2,0,0]=4 471 B5R0.5 O=C(O)C(=O)O CS-0013716 [1,1,0,0,0,0|2,0,0]=4 472 B5R0.5 O=C(O)C(=O)O CS-0017264 [1,1,0,0,0,0|2,0,0]=4 473 B5R0.5 O=C(O)C(=O)O CS-0882464 [1,1,0,0,0,0|2,0,0]=4 474 B5R0.5 O=C(O)C(=O)O CS-W004907 [1,1,0,0,0,0|2,0,0]=4 475 B5R0.5 O=C([O-])C(=O)[O-] CS-0199246 [1,1,0,0,0,0|2,0,0]=4 476 B5R0.5 [C@@H](C)(N)C(=O)O CS-0044074 [1,1,0,0,0,0|1,0,1]=4 477 B5R0.2 BrC\C=C\CBr CS-0005942 [1,1,0,0,0,0|1,0,1]=4 478 B5R0.2 BrC\C=C\CBr CS-0017873 [1,1,0,0,0,0|1,0,1]=4 479 B5R0.2 CC\C=C\C=O CS-0173472 [1,1,0,0,0,0|0,0,0]=2 480 B5R0.2 C\C=C\CCO CS-0162245 [1,1,0,0,0,0|0,0,1]=3 481 B5R0.2 NC\C=C/CCl CS-M0797 [1,1,0,0,0,0|1,0,1]=4 482 B5R0.2 NC\C=C/CN CS-WAA0092 [1,1,0,0,0,0|1,0,1]=4 483 B5R0.2 NC\C=C\CN CS-0374306 [1,1,0,0,0,0|1,0,1]=4 484 B5R0.2 OC\C=C\CO CS-0130476 [1,1,0,0,0,0|0,0,2]=4 485 B5R0.2 OC\C=C\CO CS-B0322 [1,1,0,0,0,0|0,0,2]=4 486 B7R0.2 C=CC(C)OC(C)=O CS-0139597 [0,2,0,0,0,0|0,0,2]=4 487 B7R0.2 CC(C)NC(=O)CCl CS-0128417 [0,2,0,0,0,0|1,0,1]=4 488 B7R0.2 CC(C)OC(=O)CN CS-0154172 [0,2,0,0,0,0|1,0,1]=4 489 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,2,0,0,0,0|0,0,1]=3 490 B7R0.2 CNC(=O)CC(=O)O CS-0139438 [0,2,0,0,0,0|1,0,1]=4 491 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,2,0,0,0,0|1,0,1]=4 492 B7R0.2 COC(=O)CC(C)N CS-0147336 [0,2,0,0,0,0|0,0,2]=4 493 B7R0.2 COC(=O)CC(N)=O CS-W022821 [0,2,0,0,0,0|1,0,1]=4 494 B7R0.2 COC(=O)C[C@@H](C)N CS-0003933 [0,2,0,0,0,0|0,0,2]=4 495 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [0,2,0,0,0,0|0,0,2]=4 496 B7R0.2 COC(=O)C[C@H](C)N CS-0147334 [0,2,0,0,0,0|0,0,2]=4 497 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [0,2,0,0,0,0|0,0,0]=2 498 B7R0.2 C\C(C=O)=C/N(C)C CS-M0504 [0,2,0,0,0,0|1,0,0]=3 499 B7R0.2 NC(=O)NC(=O)CCl CS-0072160 [0,2,0,0,0,0|2,0,0]=4 500 B7R0.2 [C@@H](C)(O)CC(=O)OC CS-W013601 [0,2,0,0,0,0|0,0,2]=4 501 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,2,0,0,0,0|0,0,2]=4 502 B7R0.3 C=CCCC(=O)OC CS-0187527 [0,2,0,0,0,0|0,0,2]=4 503 B7R0.3 C=CCOC(=O)CCl CS-W013366 [0,2,0,0,0,0|0,0,2]=4 504 B7R0.3 C=CCOC(=O)OC CS-0040098 [0,2,0,0,0,0|0,0,2]=4 505 B7R0.3 C=C\C=C\C(=O)OC CS-0207613 [0,2,0,0,0,0|0,0,1]=3 506 B7R0.3 C=C\C=C\C(=O)OC CS-0626198 [0,2,0,0,0,0|0,0,1]=3 507 B7R0.3 CCCNC(=O)CCl CS-0074801 [0,2,0,0,0,0|0,0,2]=4 508 B7R0.3 CCCOC(=O)OC CS-0111112 [0,2,0,0,0,0|0,0,2]=4 509 B7R0.3 CNCCC(=O)OC CS-0150994 [0,2,0,0,0,0|0,0,2]=4 510 B7R0.3 COC(=O)C#CCO CS-0029743 [0,2,0,0,0,0|0,0,2]=4 511 B7R0.3 COC(=O)CCCBr CS-W004701 [0,2,0,0,0,0|0,0,2]=4 512 B7R0.3 COC(=O)CCCCl CS-0001466 [0,2,0,0,0,0|0,0,2]=4 513 B7R0.3 COC(=O)CCCI CS-0001467 [0,2,0,0,0,0|0,0,2]=4 514 B7R0.3 COC(=O)CCCN CS-W019991 [0,2,0,0,0,0|0,0,2]=4 515 B7R0.3 COC(=O)CCSC CS-0128902 [0,2,0,0,0,0|0,0,2]=4 516 B7R0.3 COC(=O)CNC=O CS-0187476 [0,2,0,0,0,0|1,0,1]=4 517 B7R0.3 COC(=O)\C=C\CBr CS-0146524 [0,2,0,0,0,0|0,0,0]=2 518 B7R0.3 COC(=O)\C=C\CBr CS-W008761 [0,2,0,0,0,0|0,0,0]=2 519 B7R0.3 COC(=O)\C=C\CN CS-0187948 [0,2,0,0,0,0|0,0,0]=2 520 B7R0.3 COCCC(=O)OC CS-0072438 [0,2,0,0,0,0|0,0,2]=4 521 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [0,2,0,0,0,0|0,0,0]=2 522 B7R0.3 CO\C=C\C(=O)OC CS-W007972 [0,2,0,0,0,0|0,0,0]=2 523 B7R0.3 NCCNC(=O)CCl CS-0697880 [0,2,0,0,0,0|1,0,1]=4 524 B7R0.5 CC(=O)N(C)CCO CS-0112257 [0,2,0,0,0,0|1,0,1]=4 525 B7R0.5 CCCC(=O)C(C)=O CS-0258819 [0,2,0,0,0,0|0,0,1]=3 526 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [0,2,0,0,0,0|1,0,1]=4 527 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,2,0,0,0,0|1,0,1]=4 528 B7R0.5 CCOC(=O)C(C)=O CS-0017821 [0,2,0,0,0,0|0,0,1]=3 529 B7R0.5 CCOC(=O)C(C)N CS-0151889 [0,2,0,0,0,0|1,0,1]=4 530 B7R0.5 CCOC(=O)C(F)Br CS-0198023 [0,2,0,0,0,0|1,0,1]=4 531 B7R0.5 CCOC(=O)C(F)Cl CS-0434923 [0,2,0,0,0,0|1,0,1]=4 532 B7R0.5 CCOC(=O)C(N)=O CS-0008213 [0,2,0,0,0,0|1,0,1]=4 533 B7R0.5 CCOC(=O)[C@H](C)F CS-0670914 [0,2,0,0,0,0|1,0,1]=4 534 B7R0.5 CCOC(=O)[C@H](C)N CS-0009409 [0,2,0,0,0,0|1,0,1]=4 535 B7R0.5 CC\C=C(/C)C(=O)O CS-0031404 [0,2,0,0,0,0|0,0,1]=3 536 B7R0.5 CC\C=C(/C)C(=O)O CS-W011249 [0,2,0,0,0,0|0,0,1]=3 537 B7R0.5 COCC(=O)N(C)C CS-0356748 [0,2,0,0,0,0|1,0,1]=4 538 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,2,0,0,0,0|1,0,1]=4 539 B7R0.7 C#CCC(=O)OCC CS-0667023 [0,2,0,0,0,0|1,0,1]=4 540 B7R0.7 C=C=CC(=O)OCC CS-0204496 [0,2,0,0,0,0|0,0,2]=4 541 B7R0.7 C=CCC(=O)OCC CS-0147250 [0,2,0,0,0,0|0,0,2]=4 542 B7R0.7 CC#CC(=O)OCC CS-W009547 [0,2,0,0,0,0|0,0,2]=4 543 B7R0.7 CCNC(=O)CC#N CS-0141694 [0,2,0,0,0,0|1,0,1]=4 544 B7R0.7 CCNC(=O)CCCl CS-0151980 [0,2,0,0,0,0|1,0,1]=4 545 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,2,0,0,0,0|1,0,1]=4 546 B7R0.7 CCOC(=O)CCI CS-W002223 [0,2,0,0,0,0|1,0,1]=4 547 B7R0.7 CCOC(=O)CCN CS-W019943 [0,2,0,0,0,0|1,0,1]=4 548 B7R0.7 CCOC(=O)CCO CS-0139545 [0,2,0,0,0,0|1,0,1]=4 549 B7R0.7 CCOC(=O)CNC CS-W020595 [0,2,0,0,0,0|1,0,1]=4 550 B7R0.7 CCOC(=O)CNN CS-W002085 [0,2,0,0,0,0|1,0,1]=4 551 B7R0.7 CCOC(=O)COC CS-0008463 [0,2,0,0,0,0|1,0,1]=4 552 B7R0.7 CCOC(=O)CSC CS-0133049 [0,2,0,0,0,0|1,0,1]=4 553 B7R0.7 CCOC(=O)OCCl CS-W005334 [0,2,0,0,0,0|1,0,1]=4 554 B7R0.7 COCC(=O)COC CS-W007070 [0,2,0,0,0,0|1,0,1]=4 555 B7R0.10 C=C(CO)C(=O)OC CS-W019505 [0,2,0,0,0,0|1,0,1]=4 556 B7R0.10 CCC(=O)C(=O)CC CS-W013639 [0,2,0,0,0,0|0,0,1]=3 557 B7R0.10 CCC(=O)C(=O)O[Na] CS-W005355 [0,2,0,0,0,0|1,0,1]=4 558 B7R0.10 CCC(=O)N(C)OC CS-0122993 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.10 CCC(N)C(=O)OC CS-W018067 [0,2,0,0,0,0|0,0,2]=4 560 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [0,2,0,0,0,0|0,0,2]=4 561 B7R0.10 CC[C@@H](O)C(=O)OC CS-0099841 [0,2,0,0,0,0|0,0,2]=4 562 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [0,2,0,0,0,0|0,0,2]=4 563 B7R0.10 CC[C@H](O)C(=O)OC CS-0138542 [0,2,0,0,0,0|0,0,2]=4 564 B7R0.10 CN[C@@H](C)C(=O)OC CS-0068182 [0,2,0,0,0,0|1,0,1]=4 565 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [0,2,0,0,0,0|1,0,0]=3 566 B7R0.10 COC(=O)C(=O)NN CS-0265222 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.10 COC(=O)C(=O)O[K] CS-0150929 [0,2,0,0,0,0|2,0,0]=4 568 B7R0.10 COC(=O)C(Cl)OC CS-0698983 [0,2,0,0,0,0|1,0,1]=4 569 B7R0.10 CON(C)C(=O)CCl CS-W001106 [0,2,0,0,0,0|2,0,0]=4 570 B7R0.10 CON(C)C(=O)CN CS-0646800 [0,2,0,0,0,0|2,0,0]=4 571 B7R0.10 O=C(CBr)C(=O)CBr CS-0014426 [0,2,0,0,0,0|1,0,1]=4 572 B7R0.9 CC(=O)CS(C)(=O)=O CS-0106965 [0,2,0,0,0,0|1,0,1]=4 573 B7R0.9 CC(=O)O[Si](C)(C)C CS-W011087 [0,2,0,0,0,0|1,1,0]=4 574 B7R0.16 C=C(C)C(=O)N(C)C CS-W016612 [0,2,0,0,0,0|2,0,0]=4 575 B7R0.16 CC(=O)C(C)C(C)=O CS-0095844 [0,2,0,0,0,0|0,0,1]=3 576 B7R0.16 CC(=O)C(N)C(C)=O CS-0216785 [0,2,0,0,0,0|0,0,1]=3 577 B7R0.16 CC(C)C(=O)C(=O)O CS-W006057 [0,2,0,0,0,0|1,0,1]=4 578 B7R0.16 O=C([O-])C(=O)C(=O)[O-] CS-0927001 [0,2,0,0,0,0|2,0,0]=4 579 B7R0.15 CCC(CC)C(C)=O CS-0149235 [0,2,0,0,0,0|0,0,2]=4 580 B7R0.15 CCN(CC)C(C)=O CS-W009545 [0,2,0,0,0,0|1,0,1]=4 581 B7R0.4 CC(=O)CCCCCl CS-W013363 [0,2,0,0,0,0|0,0,2]=4 582 B7R0.4 CC(=O)OCCCCl CS-W017752 [0,2,0,0,0,0|0,0,2]=4 583 B7R0.4 CC(=O)OCCCI CS-0166646 [0,2,0,0,0,0|0,0,2]=4 584 B7R0.4 CCC\C=C\C(=O)O CS-W011247 [0,2,0,0,0,0|1,0,0]=3 585 B7R0.4 CCC\C=C\C(C)=O CS-0152429 [0,2,0,0,0,0|0,0,0]=2 586 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [0,2,0,0,0,0|1,0,0]=3 587 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [0,2,0,0,0,0|1,0,0]=3 588 B7R0.4 COC\C=C\C(=O)O CS-0100437 [0,2,0,0,0,0|1,0,0]=3 589 B7R0.4 C\C=C\C=C\C(=O)O CS-0009618 [0,2,0,0,0,0|1,0,0]=3 590 B7R0.4 C\C=C\C=C\C(=O)[O-] CS-0102519 [0,2,0,0,0,0|1,0,0]=3 591 B7R0.4 C\C=C\C=C\C(=O)[O-] CS-0158288 [0,2,0,0,0,0|1,0,0]=3 592 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [0,2,0,0,0,0|1,0,0]=3 593 B7R0.6 C(C(=O)O)=CC(=O)O CS-W016599 [0,2,0,0,0,0|1,0,1]=4 594 B7R0.6 C(C(C)=O)=CN(C)C CS-W016611 [0,2,0,0,0,0|0,0,0]=2 595 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [0,2,0,0,0,0|0,0,1]=3 597 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [0,2,0,0,0,0|0,0,1]=3 599 B7R0.6 CC(=O)CNC(C)=O CS-0154040 [0,2,0,0,0,0|0,0,1]=3 600 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.6 CC(=O)NNC(N)=S CS-0153946 [0,2,0,0,0,0|2,0,0]=4 602 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [0,2,0,0,0,0|1,0,1]=4 603 B7R0.6 CC(=O)OCC(N)=S CS-0248602 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [0,2,0,0,0,0|1,0,1]=4 605 B7R0.6 CC(=O)\C=C\C(=O)O CS-0155153 [0,2,0,0,0,0|0,0,1]=3 606 B7R0.6 CC(=O)\C=C\C(C)C CS-0199438 [0,2,0,0,0,0|0,0,0]=2 607 B7R0.6 CC(=S)NCC(=O)O CS-0504830 [0,2,0,0,0,0|1,0,1]=4 608 B7R0.6 CC(C)\C=C\C(=O)O CS-0206284 [0,2,0,0,0,0|1,0,0]=3 609 B7R0.6 CC(C)\C=C\C(=O)O CS-0642794 [0,2,0,0,0,0|1,0,0]=3 610 B7R0.6 CN(C)\C=C\[N+](=O)[O-] CS-D1168 [0,2,0,0,0,0|2,0,0]=4 611 B7R0.6 NC(=O)\C=C\C(N)=O CS-0179365 [0,2,0,0,0,0|1,0,1]=4 612 B7R0.6 O=C(O)\C=C\C(=O)O CS-0158509 [0,2,0,0,0,0|1,0,1]=4 613 B7R0.6 O=C([O-])\C=C\C(=O)[O-] CS-0013603 [0,2,0,0,0,0|1,0,1]=4 614 B5R1.2 O=C1CCN1 CS-W011364 [1,0,0,1,0,0|1,0,0]=3 615 B5R1.2 O=C1CNC1 CS-W019264 [1,0,0,1,0,0|1,0,1]=4 616 B5R1.2 O=C1COC1 CS-M1912 [1,0,0,1,0,0|1,0,1]=4 617 B5R1.2 O=C1CSC1 CS-B0978 [1,0,0,1,0,0|1,0,1]=4 618 B5R1.1 C1=CCNC1 CS-W016634 [1,0,0,1,0,0|1,0,1]=4 619 B5R1.1 C1=CNC=C1 CS-0655066 [1,0,0,1,0,0|1,0,1]=4 620 B5R1.1 C1=CNN=C1 CS-W008829 [1,0,0,1,0,0|2,0,0]=4 621 B5R1.1 C1=CON=C1 CS-W011365 [1,0,0,1,0,0|1,0,1]=4 622 B7R1.1 CCC1=CC=CN1 CS-0198957 [0,1,0,1,0,0|1,0,1]=4 623 B7R1.1 CCC1=CC=CO1 CS-W013731 [0,1,0,1,0,0|0,0,2]=4 624 B7R1.1 COC1=CC=CS1 CS-W001141 [0,1,0,1,0,0|0,1,1]=4 625 B7R1.1 COC1=CSC=C1 CS-W008023 [0,1,0,1,0,0|2,0,0]=4 626 B7R1.1 COC1=NNC=C1 CS-0150000 [0,1,0,1,0,0|2,0,0]=4 627 B7R1.1 CSC1=CC=CS1 CS-W013432 [0,1,0,1,0,0|0,1,1]=4 628 B7R1.1 ClCC1=NNC=C1 CS-0437008 [0,1,0,1,0,0|2,0,0]=4 629 B7R1.1 ClCC1=NOC=C1 CS-0085312 [0,1,0,1,0,0|2,0,0]=4 630 B7R1.1 N#CC1ccCC1 CS-0378542 [0,1,0,1,0,0|1,0,1]=4 631 B7R1.1 NCC1=CC=CN1 CS-W003910 [0,1,0,1,0,0|1,0,1]=4 632 B7R1.1 NCC1=CC=CS1 CS-W007649 [0,1,0,1,0,0|0,1,1]=4 633 B7R1.1 NCC1=CC=NO1 CS-0067551 [0,1,0,1,0,0|1,0,1]=4 634 B7R1.1 NCC1=COC=C1 CS-0155527 [0,1,0,1,0,0|2,0,0]=4 635 B7R1.1 NCC1=CSC=C1 CS-0063211 [0,1,0,1,0,0|2,0,0]=4 636 B7R1.1 NCC1=CSC=C1 CS-W002779 [0,1,0,1,0,0|2,0,0]=4 637 B7R1.1 NCC1=NNC=C1 CS-W019647 [0,1,0,1,0,0|2,0,0]=4 638 B7R1.1 O=CC1=CC=CN1 CS-D0925 [0,1,0,1,0,0|1,0,1]=4 639 B7R1.1 O=CC1=CC=CS1 CS-W013657 [0,1,0,1,0,0|1,0,1]=4 640 B7R1.1 O=CC1=CC=NS1 CS-0171021 [0,1,0,1,0,0|2,0,0]=4 641 B7R1.1 O=CC1=CNC=C1 CS-D1061 [0,1,0,1,0,0|1,0,1]=4 642 B7R1.1 O=CC1=COC=C1 CS-M0782 [0,1,0,1,0,0|1,0,1]=4 643 B7R1.1 O=CC1=CSC=C1 CS-W001968 [0,1,0,1,0,0|1,0,1]=4 644 B7R1.1 O=CC1=NNC=C1 CS-W004202 [0,1,0,1,0,0|2,0,0]=4 645 B7R1.1 OCC1=CC=CS1 CS-0022380 [0,1,0,1,0,0|0,1,1]=4 646 B7R1.1 OCC1=CC=NO1 CS-D0212 [0,1,0,1,0,0|1,0,1]=4 647 B7R1.1 OCC1=CC=NS1 CS-0215637 [0,1,0,1,0,0|1,1,0]=4 648 B7R1.1 OCC1=COC=C1 CS-W007708 [0,1,0,1,0,0|2,0,0]=4 649 B7R1.1 OCC1=CSC=C1 CS-W002098 [0,1,0,1,0,0|2,0,0]=4 650 B7R1.1 OCC1=NNC=C1 CS-0052530 [0,1,0,1,0,0|2,0,0]=4 651 B7R1.1 OCC1=NOC=C1 CS-W003938 [0,1,0,1,0,0|2,0,0]=4 652 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,1,0,1,0,0|0,0,0]=2 653 B7R1.2 CC1=CC(=O)NN1 CS-W013725 [0,1,0,1,0,0|1,0,0]=3 654 B7R1.2 CC1=CC(Br)=CS1 CS-W003194 [0,1,0,1,0,0|0,1,1]=4 655 B7R1.2 CC1=CC(Br)=NN1 CS-W019617 [0,1,0,1,0,0|2,0,0]=4 656 B7R1.2 CC1=CC(Br)=NO1 CS-W018569 [0,1,0,1,0,0|1,0,1]=4 657 B7R1.2 CC1=CC(C)=NO1 CS-0005667 [0,1,0,1,0,0|0,0,1]=3 658 B7R1.2 CC1=CC(N)=NN1 CS-D0822 [0,1,0,1,0,0|2,0,0]=4 659 B7R1.2 CC1=CC(N)=NO1 CS-W022416 [0,1,0,1,0,0|1,0,1]=4 660 B7R1.2 CC1=CC(O)=NO1 CS-W011330 [0,1,0,1,0,0|1,0,1]=4 661 B7R1.2 CC1=CC=C(C)N1 CS-W011343 [0,1,0,1,0,0|1,0,0]=3 662 B7R1.2 CC1=CC=C(C)S1 CS-0022382 [0,1,0,1,0,0|0,1,0]=3 663 B7R1.2 CC1=CC=C(Cl)S1 CS-0194560 [0,1,0,1,0,0|0,1,1]=4 664 B7R1.2 CC1=CC=C(N)S1 CS-0665024 [0,1,0,1,0,0|0,1,1]=4 665 B7R1.2 CC1=CN(C)N=C1 CS-W021288 [0,1,0,1,0,0|2,0,0]=4 666 B7R1.2 CC1=CN(C)N=N1 CS-0061354 [0,1,0,1,0,0|2,0,0]=4 667 B7R1.2 CC1=CN=C(Br)S1 CS-W007316 [0,1,0,1,0,0|1,1,0]=4 668 B7R1.2 CC1=CN=C(C)N1 CS-W013729 [0,1,0,1,0,0|1,0,0]=3 669 B7R1.2 CC1=CN=C(C)S1 CS-W002408 [0,1,0,1,0,0|0,1,0]=3 670 B7R1.2 CC1=CN=C(Cl)S1 CS-D0062 [0,1,0,1,0,0|1,1,0]=4 671 B7R1.2 CC1=CN=C(I)N1 CS-0097972 [0,1,0,1,0,0|2,0,0]=4 672 B7R1.2 CC1=CN=C(N)S1 CS-WAA0093 [0,1,0,1,0,0|1,1,0]=4 673 B7R1.2 CC1=CNC(=O)N1 CS-0188032 [0,1,0,1,0,0|1,0,0]=3 674 B7R1.2 CC1=CNC(=S)N1 CS-0063879 [0,1,0,1,0,0|1,1,0]=4 675 B7R1.2 CC1=CNC(Br)=N1 CS-W020387 [0,1,0,1,0,0|2,0,0]=4 676 B7R1.2 CC1=CNC(C)=C1 CS-W011342 [0,1,0,1,0,0|1,0,0]=3 677 B7R1.2 CC1=COC(N)=N1 CS-0053949 [0,1,0,1,0,0|2,0,0]=4 678 B7R1.2 CC1=CSC(=N)N1 CS-0238235 [0,1,0,1,0,0|2,0,0]=4 679 B7R1.2 CC1=CSC(Br)=N1 CS-D0855 [0,1,0,1,0,0|2,0,0]=4 680 B7R1.2 CC1=CSC(C)=C1 CS-0152847 [0,1,0,1,0,0|0,1,0]=3 681 B7R1.2 CC1=CSC(C)=N1 CS-W013648 [0,1,0,1,0,0|1,0,0]=3 682 B7R1.2 CC1=CSC(Cl)=N1 CS-0054447 [0,1,0,1,0,0|2,0,0]=4 683 B7R1.2 CC1=CSC(N)=N1 CS-W009130 [0,1,0,1,0,0|2,0,0]=4 684 B7R1.2 CC1=NC(Br)=CS1 CS-0044498 [0,1,0,1,0,0|2,0,0]=4 685 B7R1.2 CC1=NC(I)=CN1 CS-D0992 [0,1,0,1,0,0|2,0,0]=4 686 B7R1.2 CC1=NC=C(Br)N1 CS-0018955 [0,1,0,1,0,0|2,0,0]=4 687 B7R1.2 CC1=NC=C(Br)S1 CS-0103613 [0,1,0,1,0,0|1,1,0]=4 688 B7R1.2 CC1=NC=C(I)S1 CS-0528714 [0,1,0,1,0,0|1,1,0]=4 689 B7R1.2 CC1=NC=C(N)S1 CS-W006129 [0,1,0,1,0,0|1,1,0]=4 690 B7R1.2 CC1=NN(C)C=C1 CS-W002168 [0,1,0,1,0,0|1,0,0]=3 691 B7R1.2 CC1=NN=C(C)C1 CS-0134611 [0,1,0,1,0,0|1,0,1]=4 692 B7R1.2 CC1=NN=C(O)C1 CS-W013724 [0,1,0,1,0,0|1,0,1]=4 693 B7R1.2 CC1=NNC(=O)O1 CS-W019158 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.2 CC1=NNC(C)=N1 CS-W011336 [0,1,0,1,0,0|2,0,0]=4 695 B7R1.2 CC1=NNC(Cl)=C1 CS-0050525 [0,1,0,1,0,0|2,0,0]=4 696 B7R1.2 CC1=NOC(=O)O1 CS-0460220 [0,1,0,1,0,0|2,0,0]=4 697 B7R1.2 CC1=NOC(N)=C1 CS-M0240 [0,1,0,1,0,0|1,0,1]=4 698 B7R1.2 CC1=NSC(Br)=C1 CS-0136608 [0,1,0,1,0,0|1,1,0]=4 699 B7R1.2 CC1=NSC(I)=C1 CS-0308922 [0,1,0,1,0,0|1,1,0]=4 700 B7R1.2 CC1=NSC(N)=C1 CS-M1245 [0,1,0,1,0,0|1,1,0]=4 701 B7R1.2 CC1C=CC(=O)O1 CS-0152699 [0,1,0,1,0,0|1,0,0]=3 702 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,1,0,1,0,0|1,0,1]=4 703 B7R1.2 CC1CNC(=O)C1 CS-0040667 [0,1,0,1,0,0|0,0,2]=4 704 B7R1.2 CC1COC(=O)N1 CS-0181060 [0,1,0,1,0,0|1,0,1]=4 705 B7R1.2 CN1C=CC(Br)=N1 CS-D0836 [0,1,0,1,0,0|2,0,0]=4 706 B7R1.2 CN1C=CC(Cl)=N1 CS-D1270 [0,1,0,1,0,0|2,0,0]=4 707 B7R1.2 CN1C=CC(I)=N1 CS-W000413 [0,1,0,1,0,0|2,0,0]=4 708 B7R1.2 CN1C=CC(N)=C1 CS-0196553 [0,1,0,1,0,0|1,0,1]=4 709 B7R1.2 CN1C=CC(N)=N1 CS-M0755 [0,1,0,1,0,0|2,0,0]=4 710 B7R1.2 CN1C=CC(O)=N1 CS-W004808 [0,1,0,1,0,0|1,0,1]=4 711 B7R1.2 CN1C=C[N+](C)=C1 CS-0038445 [0,1,0,1,0,0|2,0,0]=4 712 B7R1.2 CN1C=C[N+](C)=C1 CS-0315342 [0,1,0,1,0,0|2,0,0]=4 713 B7R1.2 CN1C=C[N+](C)=C1 CS-0454279 [0,1,0,1,0,0|2,0,0]=4 714 B7R1.2 CN1C=C[N+](C)=C1 CS-W011086 [0,1,0,1,0,0|2,0,0]=4 715 B7R1.2 CN1C=C[N+](C)=C1 CS-W013118 [0,1,0,1,0,0|2,0,0]=4 716 B7R1.2 CN1CCC(=O)C1 CS-0172438 [0,1,0,1,0,0|0,0,2]=4 717 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,1,0,1,0,0|1,0,1]=4 718 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [0,1,0,1,0,0|1,0,1]=4 719 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [0,1,0,1,0,0|1,0,1]=4 720 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [0,1,0,1,0,0|1,0,1]=4 721 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [0,1,0,1,0,0|0,0,2]=4 722 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,1,0,1,0,0|1,0,1]=4 723 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,1,0,1,0,0|0,0,2]=4 724 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,1,0,1,0,0|1,0,1]=4 725 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,1,0,1,0,0|1,0,1]=4 726 B7R1.2 NC1=CC(=O)NN1 CS-W005676 [0,1,0,1,0,0|2,0,0]=4 727 B7R1.2 NC1=NC(=O)CO1 CS-0005538 [0,1,0,1,0,0|2,0,0]=4 728 B7R1.2 NC1=NC(=O)CS1 CS-W005207 [0,1,0,1,0,0|2,0,0]=4 729 B7R1.2 NC1CNC(=O)C1 CS-W023257 [0,1,0,1,0,0|1,0,1]=4 730 B7R1.2 N[C@@H]1CNC(=O)C1 CS-W003954 [0,1,0,1,0,0|1,0,1]=4 731 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,1,0,1,0,0|1,0,1]=4 732 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,1,0,1,0,0|1,0,1]=4 733 B7R1.2 O=C1C=C(Cl)SN1 CS-B1826 [0,1,0,1,0,0|2,0,0]=4 734 B7R1.2 O=C1C=C(O)CN1 CS-0311627 [0,1,0,1,0,0|1,0,0]=3 735 B7R1.2 O=C1C=CC(=O)N1 CS-W007324 [0,1,0,1,0,0|1,0,1]=4 736 B7R1.2 O=C1C=CC(O)C1 CS-0139552 [0,1,0,1,0,0|0,0,0]=2 737 B7R1.2 O=C1C=CC(O)O1 CS-0196767 [0,1,0,1,0,0|1,0,0]=3 738 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,1,0,1,0,0|1,0,1]=4 739 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,1,0,1,0,0|0,0,1]=3 740 B7R1.2 O=C1CCC(=O)N1 CS-0019112 [0,1,0,1,0,0|1,0,0]=3 741 B7R1.2 O=C1CCC(=O)O1 CS-0011581 [0,1,0,1,0,0|1,0,0]=3 742 B7R1.2 O=C1CCC(O)C1 CS-0051334 [0,1,0,1,0,0|0,0,2]=4 743 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [0,1,0,1,0,0|1,0,1]=4 744 B7R1.2 O=C1CNC(=O)N1 CS-W011328 [0,1,0,1,0,0|2,0,0]=4 745 B7R1.2 O=C1CNC(=O)O1 CS-W011320 [0,1,0,1,0,0|2,0,0]=4 746 B7R1.2 O=C1CNC(=S)N1 CS-W013612 [0,1,0,1,0,0|2,0,0]=4 747 B7R1.2 O=C1COC(=O)C1 CS-W016655 [0,1,0,1,0,0|1,0,1]=4 748 B7R1.2 O=C1COC(=O)N1 CS-0005564 [0,1,0,1,0,0|2,0,0]=4 749 B7R1.2 O=C1CSC(=O)N1 CS-W019917 [0,1,0,1,0,0|2,0,0]=4 750 B7R1.2 O=C1CSC(=S)N1 CS-W011081 [0,1,0,1,0,0|2,0,0]=4 751 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,1,0,1,0,0|1,0,1]=4 752 B7R1.2 O=C1C[C@H](O)CN1 CS-W002597 [0,1,0,1,0,0|1,0,1]=4 753 B7R1.2 O[C@@H]1C=C[C@H](O)C1 CS-0056064 [0,1,0,1,0,0|0,0,2]=4 754 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,1,0,1,0,0|1,0,1]=4 755 B7R1.3 BrC1=CCCCC1 CS-0155410 [0,1,0,1,0,0|1,0,1]=4 756 B7R1.3 BrC1=CCOCC1 CS-0069635 [0,1,0,1,0,0|1,0,1]=4 757 B7R1.3 BrC1C=CCCC1 CS-0173469 [0,1,0,1,0,0|1,0,1]=4 758 B7R1.3 CC1=CC=NN=C1 CS-W019241 [0,1,0,1,0,0|2,0,0]=4 759 B7R1.3 CC1=CCCNC1 CS-0050445 [0,1,0,1,0,0|1,0,1]=4 760 B7R1.3 CC1=CCNCC1 CS-W004399 [0,1,0,1,0,0|1,0,1]=4 761 B7R1.3 CC1=CN=CN=C1 CS-D0065 [0,1,0,1,0,0|2,0,0]=4 762 B7R1.3 CC1=NC=CC=N1 CS-W016665 [0,1,0,1,0,0|1,0,1]=4 763 B7R1.3 CC1=NC=CN=C1 CS-0059136 [0,1,0,1,0,0|1,0,1]=4 764 B7R1.3 CC1=NN=CC=C1 CS-W007709 [0,1,0,1,0,0|1,0,1]=4 765 B7R1.3 CC1=NN=CC=N1 CS-0152715 [0,1,0,1,0,0|2,0,0]=4 766 B7R1.3 NC1CC=CCC1 CS-0076943 [0,1,0,1,0,0|1,0,1]=4 767 B7R1.3 O=C1C=CC=CN1 CS-W009230 [0,1,0,1,0,0|0,0,2]=4 768 B7R1.3 O=C1C=CC=CO1 CS-W013734 [0,1,0,1,0,0|0,0,2]=4 769 B7R1.3 O=C1C=CC=NN1 CS-D0990 [0,1,0,1,0,0|1,0,1]=4 770 B7R1.3 O=C1C=CCCN1 CS-W006454 [0,1,0,1,0,0|0,0,0]=2 771 B7R1.3 O=C1C=CNC=C1 CS-0166783 [0,1,0,1,0,0|0,0,2]=4 772 B7R1.3 O=C1C=COC=C1 CS-0108723 [0,1,0,1,0,0|0,0,2]=4 773 B7R1.3 O=C1C=NC=CN1 CS-W013733 [0,1,0,1,0,0|1,0,1]=4 774 B7R1.3 O=C1CCCCN1 CS-W022933 [0,1,0,1,0,0|0,0,2]=4 775 B7R1.3 O=C1CCCCO1 CS-W013713 [0,1,0,1,0,0|0,0,2]=4 776 B7R1.3 O=C1CCCNC1 CS-0048756 [0,1,0,1,0,0|0,0,2]=4 777 B7R1.3 O=C1CCCNC1 CS-0185548 [0,1,0,1,0,0|0,0,2]=4 778 B7R1.3 O=C1CCCOC1 CS-D1576 [0,1,0,1,0,0|0,0,2]=4 779 B7R1.3 O=C1CCCSC1 CS-D0446 [0,1,0,1,0,0|0,0,2]=4 780 B7R1.3 O=C1CCOCC1 CS-D0601 [0,1,0,1,0,0|0,0,2]=4 781 B7R1.3 O=C1CCSCC1 CS-W002007 [0,1,0,1,0,0|0,0,2]=4 782 B7R1.3 O=C1CNCCN1 CS-B0039 [0,1,0,1,0,0|1,0,1]=4 783 B7R1.3 O=C1CNCCO1 CS-0098127 [0,1,0,1,0,0|1,0,1]=4 784 B7R1.3 O=C1COCCN1 CS-D1427 [0,1,0,1,0,0|1,0,1]=4 785 B7R1.3 O=C1COCCO1 CS-0031423 [0,1,0,1,0,0|1,0,1]=4 786 B7R1.3 O=C1CSCCN1 CS-W019146 [0,1,0,1,0,0|1,0,1]=4 787 B7R1.3 O=C1N=CC=CN1 CS-0021072 [0,1,0,1,0,0|1,0,1]=4 788 B7R1.3 O=C1N=CC=CN1 CS-W002079 [0,1,0,1,0,0|1,0,1]=4 789 B7R1.3 O=C1NCCCO1 CS-0088044 [0,1,0,1,0,0|1,0,1]=4 790 B7R1.3 O=C1OCCCO1 CS-0155207 [0,1,0,1,0,0|1,0,1]=4 791 B7R1.3 OC1C=CCCC1 CS-W011333 [0,1,0,1,0,0|0,0,2]=4 792 B7R1.3 OC1CC=CCC1 CS-0161778 [0,1,0,1,0,0|0,0,2]=4 793 B7R1.4 BrC1=C(Br)CCC1 CS-W013034 [0,1,0,1,0,0|1,0,1]=4 794 B7R1.4 CC1=C(Br)C=CS1 CS-0153498 [0,1,0,1,0,0|0,1,1]=4 795 B7R1.4 CC1=C(Br)C=NO1 CS-W006910 [0,1,0,1,0,0|1,0,1]=4 796 B7R1.4 CC1=C(Br)SC=C1 CS-W002276 [0,1,0,1,0,0|2,0,0]=4 797 B7R1.4 CC1=C(C)SC=C1 CS-W011263 [0,1,0,1,0,0|0,1,1]=4 798 B7R1.4 CC1=C(Cl)C=CS1 CS-0187856 [0,1,0,1,0,0|0,1,1]=4 799 B7R1.4 CC1=C(I)SC=C1 CS-0527678 [0,1,0,1,0,0|2,0,0]=4 800 B7R1.4 CC1=C(S)C=CO1 CS-W011245 [0,1,0,1,0,0|0,0,2]=4 801 B7R1.4 CC1=CC=NN1C CS-W002808 [0,1,0,1,0,0|2,0,0]=4 802 B7R1.4 CC1=CCCC1=O CS-0180943 [0,1,0,1,0,0|0,0,0]=2 803 B7R1.4 CC1=CNN=C1C CS-0028725 [0,1,0,1,0,0|2,0,0]=4 804 B7R1.4 CC1=CNN=C1C CS-W005197 [0,1,0,1,0,0|2,0,0]=4 805 B7R1.4 CC1=CSC=C1Br CS-W008032 [0,1,0,1,0,0|2,0,0]=4 806 B7R1.4 CC1=CSC=C1C CS-W005271 [0,1,0,1,0,0|2,0,0]=4 807 B7R1.4 CC1=NNC=C1Br CS-D1704 [0,1,0,1,0,0|2,0,0]=4 808 B7R1.4 CC1=NNC=C1Cl CS-0206946 [0,1,0,1,0,0|2,0,0]=4 809 B7R1.4 CC1=NNC=C1I CS-W022199 [0,1,0,1,0,0|2,0,0]=4 810 B7R1.4 CC1=NNC=C1N CS-0324737 [0,1,0,1,0,0|2,0,0]=4 811 B7R1.4 CC1=NSC=C1N CS-0628115 [0,1,0,1,0,0|2,0,0]=4 812 B7R1.4 CC1CCNC1=O CS-W004958 [0,1,0,1,0,0|1,0,1]=4 813 B7R1.4 CC1CCOC1=O CS-0152675 [0,1,0,1,0,0|1,0,1]=4 814 B7R1.4 CC1OCCC1=O CS-W011324 [0,1,0,1,0,0|1,0,1]=4 815 B7R1.4 CC1SCCC1=O CS-W011228 [0,1,0,1,0,0|1,0,1]=4 816 B7R1.4 CN1CCCC1=O CS-0017258 [0,1,0,1,0,0|0,0,2]=4 817 B7R1.4 CN1CCNC1=O CS-W005507 [0,1,0,1,0,0|1,0,1]=4 818 B7R1.4 CN1CCOC1=O CS-W016647 [0,1,0,1,0,0|1,0,1]=4 819 B7R1.4 CN1N=CC=C1Br CS-W018563 [0,1,0,1,0,0|2,0,0]=4 820 B7R1.4 CN1N=CC=C1I CS-D0852 [0,1,0,1,0,0|2,0,0]=4 821 B7R1.4 CN1N=CC=C1N CS-D1362 [0,1,0,1,0,0|2,0,0]=4 822 B7R1.4 CN1N=CC=C1O CS-W008402 [0,1,0,1,0,0|1,0,1]=4 823 B7R1.4 CN1N=CCC1=O CS-0151202 [0,1,0,1,0,0|1,0,1]=4 824 B7R1.4 CN1NC=CC1=O CS-0151204 [0,1,0,1,0,0|1,0,0]=3 825 B7R1.4 CN1SC=CC1=O CS-W010959 [0,1,0,1,0,0|1,0,0]=3 826 B7R1.4 CN1SC=CC1=O CS-W011236 [0,1,0,1,0,0|1,0,0]=3 827 B7R1.4 NC1CCNC1=O CS-0113495 [0,1,0,1,0,0|1,0,1]=4 828 B7R1.4 NC1CCOC1=O CS-0051531 [0,1,0,1,0,0|1,0,1]=4 829 B7R1.4 NC1CCSC1=O CS-0021300 [0,1,0,1,0,0|1,0,1]=4 830 B7R1.4 NC1CONC1=O CS-W008440 [0,1,0,1,0,0|2,0,0]=4 831 B7R1.4 NN1CCCC1=O CS-D0019 [0,1,0,1,0,0|1,0,1]=4 832 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [0,1,0,1,0,0|1,0,1]=4 833 B7R1.4 N[C@@H]1CCOC1=O CS-0022064 [0,1,0,1,0,0|1,0,1]=4 834 B7R1.4 N[C@@H]1CCSC1=O CS-0375845 [0,1,0,1,0,0|1,0,1]=4 835 B7R1.4 N[C@@H]1CONC1=O CS-2395 [0,1,0,1,0,0|2,0,0]=4 836 B7R1.4 N[C@H]1CCNC1=O CS-W021173 [0,1,0,1,0,0|1,0,1]=4 837 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,1,0,1,0,0|1,0,1]=4 838 B7R1.4 N[C@H]1CCSC1=O CS-6394 [0,1,0,1,0,0|1,0,1]=4 839 B7R1.4 N[C@H]1CONC1=O CS-4717 [0,1,0,1,0,0|2,0,0]=4 840 B7R1.4 O=C1CCC=C1O CS-W019237 [0,1,0,1,0,0|0,0,0]=2 841 B7R1.4 O=C1NCCC1O CS-W005201 [0,1,0,1,0,0|1,0,1]=4 842 B7R1.4 O=C1NCC[C@@H]1O CS-W003342 [0,1,0,1,0,0|1,0,1]=4 843 B7R1.4 O=C1NCC[C@H]1F CS-0500742 [0,1,0,1,0,0|1,0,1]=4 844 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,1,0,1,0,0|1,0,1]=4 845 B7R1.4 O=C1OCCC1Br CS-W001104 [0,1,0,1,0,0|1,0,1]=4 846 B7R1.4 O=C1OCCC1O CS-W013699 [0,1,0,1,0,0|1,0,1]=4 847 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [0,1,0,1,0,0|1,0,1]=4 848 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,1,0,1,0,0|1,0,1]=4 849 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,1,0,1,0,0|1,0,1]=4 850 B7R1.10 COC1CC(=O)C1 CS-0051289 [0,1,0,1,0,0|0,0,2]=4 851 B7R1.10 NCC1CC(=O)C1 CS-0045539 [0,1,0,1,0,0|0,0,2]=4 852 B7R1.10 O=C1CC(CBr)C1 CS-0043859 [0,1,0,1,0,0|0,0,2]=4 853 B7R1.10 O=C1CC(CCl)C1 CS-0054362 [0,1,0,1,0,0|0,0,2]=4 854 B7R1.10 O=C1CC(CO)C1 CS-0045541 [0,1,0,1,0,0|0,0,2]=4 855 B7R1.22 COC(=O)[C@@H]1CO1 CS-0063139 [0,1,0,1,0,0|1,0,1]=4 856 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [0,1,0,1,0,0|1,0,1]=4 857 B7R1.22 O=C(CO)C1CC1 CS-0230656 [0,1,0,1,0,0|0,0,2]=4 858 B7R1.18 O=C(O)C1=CCC1 CS-0155456 [0,1,0,1,0,0|1,0,0]=3 859 B7R1.19 CC(=O)C1(Cl)CC1 CS-0186210 [0,1,0,1,0,0|0,0,2]=4 860 B7R1.14 O=S1(=O)C=CCO1 CS-W003828 [0,1,0,1,0,0|2,0,0]=4 861 B7R2.13 C1=CC2OC2C1 CS-0670603 [0,0,0,2,0,0|0,0,2]=4