0 B5R0.1 C#CCC(=O)O CS-W004784 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=CCC(=O)O CS-0069849 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 C=CC[C@H](C)O CS-0081915 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CC#CC(=O)O CS-W007936 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC(=O)CCCl CS-W022162 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(=O)CCN CS-0209803 [0,0,0,0,0,0|2,0,1]=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|1,0,1]=2 8 B5R0.1 CC(=O)OCCl CS-0139458 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.1 CC(C)=CCCl CS-0204351 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CC(C)=CCN CS-0236946 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CC(C)=CCO CS-W013751 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CCCC(=O)O CS-0977378 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CCCC(N)=O CS-0130522 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 CCNC(N)=O CS-W011351 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 CCOC(=N)N CS-W019160 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 CCOC(C)=N CS-W008601 [0,0,0,0,0,0|1,0,2]=3 17 B5R0.1 CCOC(N)=O CS-4731 [0,0,0,0,0,0|1,0,2]=3 18 B5R0.1 CN(C)NC=O CS-M2144 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 CNCC(=O)O CS-W013507 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 CNCC(=O)O CS-W018511 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 CNCC(N)=O CS-W011178 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 COCC(=O)O CS-W020123 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 CSCC(=O)O CS-0015159 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 CSCC(N)=O CS-0150088 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 CSCS(C)=O CS-0146450 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 C\C(N)=C\C#N CS-0005803 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 C\C=C\C(=O)O CS-0017976 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.1 C\C=C\C(C)=O CS-0022376 [0,0,0,0,0,0|1,0,1]=2 29 B5R0.1 C\C=C\C(C)=O CS-0513711 [0,0,0,0,0,0|1,0,1]=2 30 B5R0.1 N#CCC(=O)[O-] CS-0162555 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 NC(=O)CCBr CS-0046169 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 NC(=O)CCCl CS-0204808 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.1 NC(=O)CCO CS-0205185 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.1 NCCC(=O)O CS-0668359 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.1 NCCC(=O)O CS-W020126 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.1 NOCC(=O)O CS-8158 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.1 O=C(O)CCF CS-0038385 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 O=C(O)CCI CS-0204563 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 O=C(O)CCO CS-0147832 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.1 O=C(O)\C=C/Cl CS-0196837 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.1 O=C(O)\C=C/I CS-0668652 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.1 O=C(O)\C=C\Br CS-0063842 [0,0,0,0,0,0|3,0,0]=3 43 B5R0.1 O=C(O)\C=C\I CS-0092724 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.1 O=P(=O)OO[Na] CS-0017801 [0,0,0,0,0,0|4,0,0]=4 45 B4R0.1 C#CC(N)=O CS-0022393 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.1 C(=O)C(=O)O CS-0031458 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 C=C(C)CN CS-0204398 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 C=CC(=O)O CS-0356466 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 C=CC(=O)O CS-0356467 [1,0,0,0,0,0|1,0,0]=2 50 B4R0.1 C=CC(=O)O CS-0356469 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.1 C=CC(=O)O CS-0356470 [1,0,0,0,0,0|1,0,0]=2 52 B4R0.1 C=CC(=O)O CS-0356471 [1,0,0,0,0,0|1,0,0]=2 53 B4R0.1 C=CC(C)N CS-0173225 [1,0,0,0,0,0|1,0,1]=3 54 B4R0.1 C=CC(N)=O CS-0255029 [1,0,0,0,0,0|1,0,0]=2 55 B4R0.1 C=CC(N)=O CS-0255030 [1,0,0,0,0,0|1,0,0]=2 56 B4R0.1 CC(=N)NO CS-W008635 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 CC(=O)C=O CS-0031856 [1,0,0,0,0,0|1,0,0]=2 58 B4R0.1 CC(=O)CN CS-W004850 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.1 CC(=O)CO CS-0017823 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.1 CC(=O)NBr CS-0142503 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 CC(=O)NN CS-D1403 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.1 CC(=O)NO CS-4881 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 CC(=O)O[Ag] CS-0082496 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.1 CC(=O)O[K] CS-W020131 [1,0,0,0,0,0|1,0,0]=2 65 B4R0.1 CC(C)=NO CS-W009556 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.1 CC(C)ON CS-W008733 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 CCC(N)=O CS-W016688 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.1 CNC(C)=O CS-0031873 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.1 CNC(N)=O CS-W016687 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 COC(=N)N CS-0114088 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 COC(=N)N CS-W017615 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.1 COC(=N)N CS-W019574 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.1 COC(N)=O CS-0017839 [1,0,0,0,0,0|1,0,1]=3 74 B4R0.1 CS(=O)O[Na] CS-0019422 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.1 NC(=O)CBr CS-W007330 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.1 NC(=O)CI CS-0020050 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 NC(=O)CO CS-W016686 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 NC(=O)NO CS-2353 [1,0,0,0,0,0|3,0,0]=4 79 B4R0.1 NCC(=O)O CS-0158475 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 NCC(=O)O CS-0187433 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 NCC(=O)O CS-B1641 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.1 NCC(N)=O CS-0149938 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 NCC(N)=O CS-W019695 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.1 NNC(N)=O CS-W018530 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.1 O=C(O)[Ba]O CS-0015804 [1,0,0,0,0,0|3,0,0]=4 86 B4R0.1 O=C([Co])OO CS-0111382 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 O=C([Cu])OO CS-0188508 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 O=CC(=O)O CS-W019807 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 O=C[Pb](=O)O CS-B1715 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.1 O=P(=O)OO CS-0015364 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.1 O=P(=O)OO CS-0021609 [1,0,0,0,0,0|3,0,0]=4 92 B4R0.1 O=P(=O)OO CS-0144851 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.1 O=P(=O)OO CS-0642537 [1,0,0,0,0,0|3,0,0]=4 94 B4R0.1 O=P(=O)OO CS-0653228 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.1 [2H]C(=O)O[Na] CS-0542325 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.2 C=CCCI CS-0139149 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.2 C=CCCN CS-0028781 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.2 C=CCNN CS-0465740 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.2 C=CCON CS-0010194 [1,0,0,0,0,0|3,0,0]=4 100 B4R0.2 CCNC=O CS-0187584 [1,0,0,0,0,0|1,0,2]=4 101 B4R0.2 CCOC=N CS-0333913 [1,0,0,0,0,0|1,0,1]=3 102 B4R0.2 O=COO[Cs] CS-0534192 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.2 O=COO[Cs] CS-W008901 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.2 O=COO[K] CS-0644452 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.2 O=COO[Rb] CS-0146110 [1,0,0,0,0,0|2,0,0]=3 106 B4R0.2 O=C[N-]C=O CS-0170804 [1,0,0,0,0,0|2,0,0]=3 107 B4R0.2 O=NOO[Rb] CS-0146112 [1,0,0,0,0,0|3,0,0]=4 108 B4R0.2 [Li]OOC=O CS-0013647 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.1 C=CCC(=O)OC CS-0158011 [0,1,0,0,0,0|1,0,0]=2 110 B6R0.1 C=CCC(N)CO CS-0197807 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.1 C=CC[C@@H](N)CO CS-0162183 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.1 CC#CC(=O)OC CS-0066219 [0,1,0,0,0,0|1,0,2]=4 113 B6R0.1 CCC(=O)COC CS-0213932 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.1 CCNC(=O)CBr CS-0239382 [0,1,0,0,0,0|1,0,2]=4 115 B6R0.1 CCOC(=O)C#N CS-0022374 [0,1,0,0,0,0|0,0,3]=4 116 B6R0.1 CCOC(=O)CN CS-W020007 [0,1,0,0,0,0|0,0,2]=3 117 B6R0.1 CCOC(=O)CO CS-W019892 [0,1,0,0,0,0|0,0,2]=3 118 B6R0.1 CCOC(=O)NN CS-W008412 [0,1,0,0,0,0|1,0,2]=4 119 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,1,0,0,0,0|0,0,3]=4 120 B6R0.1 CNC(=O)CC#N CS-W018827 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.1 CNC(=O)CCCl CS-0143787 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.1 CNC(=O)CCO CS-0188403 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.1 COC(=O)C#CBr CS-0043861 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.1 COC(=O)C#CI CS-0513737 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.1 COC(=O)CC#N CS-W016657 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.1 COC(=O)CCBr CS-W008728 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.1 COC(=O)CCCl CS-0131786 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.1 COC(=O)CCI CS-0615889 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.1 COC(=O)CCN CS-W007648 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.1 COC(=O)CCO CS-0022864 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.1 COC(=O)CCS CS-0000049 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.1 COC(=O)OCCl CS-0067504 [0,1,0,0,0,0|1,0,1]=3 133 B6R0.1 COC(=O)\C=C/I CS-0150951 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.1 COC(=O)\C=C\I CS-0042162 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.1 O=C(CCl)NCO CS-0147071 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.2 CC(=O)CC(N)=O CS-0134202 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.2 CC(=O)CN(C)C CS-0204530 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [0,1,0,0,0,0|1,0,2]=4 139 B6R0.2 CC(=O)NC(C)C CS-M3536 [0,1,0,0,0,0|1,0,2]=4 140 B6R0.2 CC(=O)OC(C)Br CS-0135277 [0,1,0,0,0,0|0,0,2]=3 141 B6R0.2 CC(=O)[CH-]C(C)=O CS-0196895 [0,1,0,0,0,0|1,0,1]=3 142 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [0,1,0,0,0,0|1,0,1]=3 143 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085298 [0,1,0,0,0,0|1,0,1]=3 144 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085476 [0,1,0,0,0,0|1,0,1]=3 145 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0105902 [0,1,0,0,0,0|1,0,1]=3 146 B6R0.2 CC(C)=CC(=O)O CS-W011327 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.2 CC(C)OC(=S)[S-] CS-0154170 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.2 CC(C)OC(N)=O CS-0119929 [0,1,0,0,0,0|1,0,2]=4 149 B6R0.2 C\C(Cl)=C/C(=O)O CS-0834363 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.2 C\C(Cl)=C\C(=O)O CS-0834361 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.2 C\C(O)=N\C(=N)N CS-W007823 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.2 N=C(N)CC(N)=O CS-W018503 [0,1,0,0,0,0|3,0,0]=4 153 B6R0.2 N=C(N)NC(N)=O CS-0128792 [0,1,0,0,0,0|3,0,0]=4 154 B6R0.2 NC(=O)CC(=O)O CS-0149950 [0,1,0,0,0,0|3,0,0]=4 155 B6R0.2 NC(=O)CC(N)=O CS-W011312 [0,1,0,0,0,0|3,0,0]=4 156 B6R0.2 NC(=O)NC(N)=O CS-W016643 [0,1,0,0,0,0|3,0,0]=4 157 B6R0.2 O=C(O)[Ca]C(=O)O CS-0160132 [0,1,0,0,0,0|3,0,0]=4 158 B6R0.3 C(C)=C(/C)C(=O)O CS-W009553 [0,1,0,0,0,0|2,0,1]=4 159 B6R0.3 C=CC(=O)N(C)C CS-0016062 [0,1,0,0,0,0|3,0,0]=4 160 B6R0.3 C=CC(C)C(=O)O CS-0006592 [0,1,0,0,0,0|2,0,0]=3 161 B6R0.3 C=CN(C)C(C)=O CS-W013718 [0,1,0,0,0,0|1,0,0]=2 162 B6R0.3 C=C[C@@H](C)[C@@H](C)O CS-0368397 [0,1,0,0,0,0|1,0,2]=4 163 B6R0.3 C=C[C@@H](N)C(=O)O CS-0131608 [0,1,0,0,0,0|2,0,0]=3 164 B6R0.3 C=C[C@H](C)[C@H](C)O CS-0368404 [0,1,0,0,0,0|1,0,2]=4 165 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.3 CC(=O)C(=O)CBr CS-0199660 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.3 CC(=O)C(=O)O[K] CS-0155155 [0,1,0,0,0,0|3,0,0]=4 168 B6R0.3 CC(=O)C(=O)O[Na] CS-W016629 [0,1,0,0,0,0|3,0,0]=4 169 B6R0.3 CCC(=O)C(C)=O CS-W013714 [0,1,0,0,0,0|1,0,2]=4 170 B6R0.3 COC(=O)C(C)=O CS-W013701 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.3 CON(C)C(C)=O CS-W001095 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.3 C\C=C(/C)C(=O)O CS-0356606 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.3 C\C=C(/C)C(=O)O CS-W013715 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.4 C#CCNC(C)=O CS-0434175 [0,1,0,0,0,0|1,0,2]=4 175 B6R0.4 C#CCOC(C)=O CS-0158541 [0,1,0,0,0,0|0,0,2]=3 176 B6R0.4 C=CCCC(=O)O CS-W009138 [0,1,0,0,0,0|2,0,0]=3 177 B6R0.4 C=CCCC(C)O CS-0513969 [0,1,0,0,0,0|1,0,2]=4 178 B6R0.4 C=CCNC(N)=O CS-0197283 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.4 C=CCNC(N)=S CS-2643 [0,1,0,0,0,0|2,1,0]=4 180 B6R0.4 CC(=O)CCCCl CS-W013569 [0,1,0,0,0,0|1,0,2]=4 181 B6R0.4 CC(=O)CCCO CS-0020001 [0,1,0,0,0,0|1,0,2]=4 182 B6R0.4 CC(=O)NCCO CS-W013689 [0,1,0,0,0,0|1,0,2]=4 183 B6R0.4 CC(=O)OCCBr CS-W007598 [0,1,0,0,0,0|0,0,2]=3 184 B6R0.4 CC(=O)OCCN CS-0657679 [0,1,0,0,0,0|0,0,2]=3 185 B6R0.4 CC(=O)OCCO CS-0154995 [0,1,0,0,0,0|0,0,2]=3 186 B6R0.4 CCCNC(C)=O CS-0246738 [0,1,0,0,0,0|1,0,2]=4 187 B6R0.4 CCCOC(N)=O CS-W019060 [0,1,0,0,0,0|1,0,2]=4 188 B6R0.4 CCOCC(=O)O CS-0071579 [0,1,0,0,0,0|1,0,2]=4 189 B6R0.4 CC\C=C\C(=O)O CS-0053528 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.4 CN(C)\C=C\C=O CS-M0766 [0,1,0,0,0,0|3,0,0]=4 191 B6R0.4 CO\C=C\C(=O)O CS-0201343 [0,1,0,0,0,0|2,0,1]=4 192 B6R0.4 CO\C=C\C(C)=O CS-0145411 [0,1,0,0,0,0|1,0,1]=3 193 B6R0.4 CO\C=C\C(C)=O CS-W013712 [0,1,0,0,0,0|1,0,1]=3 194 B6R0.4 CSCCC(C)=O CS-0206726 [0,1,0,0,0,0|1,0,2]=4 195 B6R0.4 C\C=C\CC(=O)O CS-0129103 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.4 O=C(O)\C=C\CBr CS-0020044 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.4 O=C(O)\C=C\CCl CS-0139553 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.4 O=CNCC(=O)O CS-0102520 [0,1,0,0,0,0|3,0,0]=4 199 B6R0.5 C=CC[N+](C)(C)C CS-0158034 [0,1,0,0,0,0|3,0,0]=4 200 B6R0.5 CCOS(C)(=O)=O CS-W016570 [0,1,0,0,0,0|1,0,2]=4 201 B6R1.2 BrC1=CN=CO1 CS-0469695 [0,0,0,1,0,0|2,0,1]=4 202 B6R1.2 BrC1=NC=CN1 CS-W007461 [0,0,0,1,0,0|3,0,0]=4 203 B6R1.2 BrC1=NC=CO1 CS-0084599 [0,0,0,1,0,0|2,0,0]=3 204 B6R1.2 BrC1=NC=CS1 CS-W001223 [0,0,0,1,0,0|2,1,0]=4 205 B6R1.2 CC1=CC=CN1 CS-W011360 [0,0,0,1,0,0|2,0,0]=3 206 B6R1.2 CC1=CC=CS1 CS-W011331 [0,0,0,1,0,0|1,1,0]=3 207 B6R1.2 CC1=CC=NO1 CS-0085310 [0,0,0,1,0,0|2,0,0]=3 208 B6R1.2 CC1=CN=CN1 CS-D1459 [0,0,0,1,0,0|3,0,0]=4 209 B6R1.2 CC1=CN=CS1 CS-W007489 [0,0,0,1,0,0|2,1,0]=4 210 B6R1.2 CC1=COC=N1 CS-0028372 [0,0,0,1,0,0|3,0,0]=4 211 B6R1.2 CC1=CSC=N1 CS-W001245 [0,0,0,1,0,0|3,0,0]=4 212 B6R1.2 CC1=NC=CN1 CS-W019983 [0,0,0,1,0,0|2,0,0]=3 213 B6R1.2 CC1=NC=CO1 CS-0312016 [0,0,0,1,0,0|1,0,0]=2 214 B6R1.2 CC1=NC=CS1 CS-W002260 [0,0,0,1,0,0|1,1,0]=3 215 B6R1.2 CC1=NN=CN1 CS-M1664 [0,0,0,1,0,0|3,0,0]=4 216 B6R1.2 CC1=NN=CO1 CS-W018813 [0,0,0,1,0,0|2,0,0]=3 217 B6R1.2 CC1=NNC=C1 CS-B0947 [0,0,0,1,0,0|3,0,0]=4 218 B6R1.2 CN1C=CC=C1 CS-W001239 [0,0,0,1,0,0|3,0,0]=4 219 B6R1.2 ClC1=CC=CS1 CS-W011216 [0,0,0,1,0,0|1,1,1]=4 220 B6R1.2 ClC1=NC=CN1 CS-0020071 [0,0,0,1,0,0|3,0,0]=4 221 B6R1.2 ClC1=NC=CS1 CS-D1169 [0,0,0,1,0,0|2,1,0]=4 222 B6R1.2 IC1=CC=CS1 CS-W007589 [0,0,0,1,0,0|1,1,1]=4 223 B6R1.2 IC1=NC=CN1 CS-0188282 [0,0,0,1,0,0|3,0,0]=4 224 B6R1.2 IC1=NC=CO1 CS-0051894 [0,0,0,1,0,0|2,0,0]=3 225 B6R1.2 NC1=CC=NO1 CS-W005361 [0,0,0,1,0,0|2,0,1]=4 226 B6R1.2 NC1=NC=CN1 CS-0054070 [0,0,0,1,0,0|3,0,0]=4 227 B6R1.2 NC1=NC=CN1 CS-W002088 [0,0,0,1,0,0|3,0,0]=4 228 B6R1.2 NC1=NC=CO1 CS-D0841 [0,0,0,1,0,0|2,0,0]=3 229 B6R1.2 NC1=NC=CS1 CS-3404 [0,0,0,1,0,0|2,1,0]=4 230 B6R1.2 NC1CC=CC1 CS-W022621 [0,0,0,1,0,0|2,0,1]=4 231 B6R1.2 O=C1C=CCC1 CS-W011359 [0,0,0,1,0,0|1,0,1]=3 232 B6R1.2 O=C1C=CCO1 CS-W008270 [0,0,0,1,0,0|0,0,2]=3 233 B6R1.2 O=C1C=CCS1 CS-0348812 [0,0,0,1,0,0|0,1,2]=4 234 B6R1.2 O=C1C=CNN1 CS-W004179 [0,0,0,1,0,0|2,0,1]=4 235 B6R1.2 O=C1C=CSN1 CS-0005502 [0,0,0,1,0,0|2,0,1]=4 236 B6R1.2 O=C1CC=NN1 CS-W004408 [0,0,0,1,0,0|2,0,0]=3 237 B6R1.2 O=C1CCCN1 CS-0197058 [0,0,0,1,0,0|1,0,2]=4 238 B6R1.2 O=C1CCNC1 CS-W005267 [0,0,0,1,0,0|2,0,1]=4 239 B6R1.2 O=C1CCNN1 CS-W001151 [0,0,0,1,0,0|2,0,1]=4 240 B6R1.2 O=C1CCOC1 CS-D1574 [0,0,0,1,0,0|2,0,1]=4 241 B6R1.2 O=C1CCSC1 CS-W011310 [0,0,0,1,0,0|2,0,1]=4 242 B6R1.2 O=C1N=CNN1 CS-0044804 [0,0,0,1,0,0|3,0,0]=4 243 B6R1.2 O=C1NC=CN1 CS-W002186 [0,0,0,1,0,0|2,0,0]=3 244 B6R1.2 O=C1NCCO1 CS-W007548 [0,0,0,1,0,0|1,0,2]=4 245 B6R1.2 O=C1OC=CO1 CS-W013752 [0,0,0,1,0,0|1,0,0]=2 246 B6R1.2 OC1CC=CC1 CS-W002682 [0,0,0,1,0,0|1,0,2]=4 247 B6R1.2 S=C1NC=CS1 CS-0166787 [0,0,0,1,0,0|1,2,0]=4 248 B6R1.2 SC1=CC=CS1 CS-W016596 [0,0,0,1,0,0|0,2,1]=4 249 B6R1.2 SC1=NC=CN1 CS-W016653 [0,0,0,1,0,0|2,1,0]=4 250 B6R1.2 SC1=NC=CS1 CS-W011225 [0,0,0,1,0,0|1,2,0]=4 251 B6R1.5 CN1CC(=O)C1 CS-0052428 [0,0,0,1,0,0|2,0,1]=4 252 B6R1.5 NC1CC(=O)C1 CS-W005321 [0,0,0,1,0,0|2,0,1]=4 253 B6R1.5 O=C1CC(O)C1 CS-0051337 [0,0,0,1,0,0|2,0,1]=4 254 B3R0.1 Br\C=C\Br CS-0197272 [2,0,0,0,0,0|2,0,0]=4 255 B3R0.1 C(=O)ON CS-0015274 [2,0,0,0,0,0|1,0,0]=3 256 B3R0.1 CCON CS-0017502 [2,0,0,0,0,0|1,0,1]=4 257 B3R0.1 CCON CS-W011335 [2,0,0,0,0,0|1,0,1]=4 258 B3R0.1 CNOC CS-D1361 [2,0,0,0,0,0|1,0,1]=4 259 B3R0.1 O=BOO CS-0013869 [2,0,0,0,0,0|2,0,0]=4 260 B3R0.1 O=CO[Na] CS-0129037 [2,0,0,0,0,0|1,0,0]=3 261 B3R0.1 [Li]OB=O CS-0128725 [2,0,0,0,0,0|2,0,0]=4 262 B3R0.1 [Li]OC=O CS-0158490 [2,0,0,0,0,0|1,0,0]=3 263 B3R0.2 C=[N+](C)C CS-0132319 [2,0,0,0,0,0|2,0,0]=4 264 B3R0.2 CB(O)O CS-W018525 [2,0,0,0,0,0|1,0,1]=4 265 B3R0.2 CC(=N)N CS-0850442 [2,0,0,0,0,0|2,0,0]=4 266 B3R0.2 CC(=O)O CS-0081928 [2,0,0,0,0,0|0,0,0]=2 267 B3R0.2 CC(=O)O CS-0144598 [2,0,0,0,0,0|0,0,0]=2 268 B3R0.2 CC(=O)O CS-0646220 [2,0,0,0,0,0|0,0,0]=2 269 B3R0.2 CC(=O)O CS-0886556 [2,0,0,0,0,0|0,0,0]=2 270 B3R0.2 CC(=O)O CS-W013740 [2,0,0,0,0,0|0,0,0]=2 271 B3R0.2 CC(=O)O CS-W019776 [2,0,0,0,0,0|0,0,0]=2 272 B3R0.2 CC(=O)[O-] CS-0084981 [2,0,0,0,0,0|0,0,1]=3 273 B3R0.2 CC(N)=O CS-0015934 [2,0,0,0,0,0|1,0,0]=3 274 B3R0.2 CC(N)=S CS-W018499 [2,0,0,0,0,0|1,1,0]=4 275 B3R0.2 CS(C)=O CS-B1637 [2,0,0,0,0,0|1,0,1]=4 276 B3R0.2 NC(N)=O CS-0653234 [2,0,0,0,0,0|2,0,0]=4 277 B3R0.2 NC(N)=O CS-B1800 [2,0,0,0,0,0|2,0,0]=4 278 B5R0.3 C#CC(=O)NC CS-0202683 [1,1,0,0,0,0|0,0,2]=4 279 B5R0.3 C#CC(=O)O[Na] CS-0620485 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.3 C=CC(=O)NC CS-0134564 [1,1,0,0,0,0|0,0,0]=2 281 B5R0.3 C=CC(=O)O[K] CS-0196459 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.3 C=CC(O)CO CS-W016675 [1,1,0,0,0,0|0,0,2]=4 283 B5R0.3 C=C[C@@H](N)CO CS-0089925 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.3 C=C[C@H](N)CO CS-0088065 [1,1,0,0,0,0|1,0,1]=4 285 B5R0.3 CCC(=O)CBr CS-0131119 [1,1,0,0,0,0|0,0,2]=4 286 B5R0.3 CCC(=O)CN CS-W005374 [1,1,0,0,0,0|0,0,2]=4 287 B5R0.3 CCC(=O)CO CS-W005327 [1,1,0,0,0,0|0,0,2]=4 288 B5R0.3 CCC(=O)NC CS-0179730 [1,1,0,0,0,0|0,0,2]=4 289 B5R0.3 CCC(=O)NN CS-0206618 [1,1,0,0,0,0|2,0,0]=4 290 B5R0.3 CCC(=O)O[K] CS-0019431 [1,1,0,0,0,0|1,0,0]=3 291 B5R0.3 CCC(=O)O[Na] CS-0013802 [1,1,0,0,0,0|1,0,0]=3 292 B5R0.3 CCS(=O)O[Na] CS-0020098 [1,1,0,0,0,0|2,0,0]=4 293 B5R0.3 CNC(=O)CBr CS-0023001 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.3 CNC(=O)CCl CS-W007769 [1,1,0,0,0,0|1,0,1]=4 295 B5R0.3 CNC(=O)CI CS-0244983 [1,1,0,0,0,0|1,0,1]=4 296 B5R0.3 CNC(=O)CN CS-0008246 [1,1,0,0,0,0|1,0,1]=4 297 B5R0.3 CNC(=O)CN CS-0130384 [1,1,0,0,0,0|1,0,1]=4 298 B5R0.3 COC(=N)CCl CS-0150960 [1,1,0,0,0,0|1,0,1]=4 299 B5R0.3 COC(=O)CI CS-0235696 [1,1,0,0,0,0|0,0,1]=3 300 B5R0.3 COC(=O)CN CS-W018508 [1,1,0,0,0,0|0,0,1]=3 301 B5R0.3 COC(=O)CO CS-W004068 [1,1,0,0,0,0|0,0,1]=3 302 B5R0.3 COC(=O)NN CS-0015902 [1,1,0,0,0,0|1,0,1]=4 303 B5R0.3 COC(=O)SCl CS-0313613 [1,1,0,0,0,0|1,0,1]=4 304 B5R0.3 CON(C)C=O CS-0128675 [1,1,0,0,0,0|1,0,1]=4 305 B5R0.3 COS(=O)OC CS-0230894 [1,1,0,0,0,0|1,0,1]=4 306 B5R0.3 NCC(=O)O[Na] CS-W016662 [1,1,0,0,0,0|1,0,0]=3 307 B5R0.3 NNC(=O)CCl CS-0199719 [1,1,0,0,0,0|2,0,0]=4 308 B5R0.3 NNC(=O)CO CS-W006527 [1,1,0,0,0,0|2,0,0]=4 309 B5R0.3 O=C(CBr)CBr CS-W020932 [1,1,0,0,0,0|1,0,1]=4 310 B5R0.3 O=C(CI)O[Na] CS-0014819 [1,1,0,0,0,0|1,0,0]=3 311 B5R0.3 O=C(CO)CO CS-W019614 [1,1,0,0,0,0|1,0,1]=4 312 B5R0.3 O=C(CS)O[Na] CS-0197966 [1,1,0,0,0,0|1,0,0]=3 313 B5R0.3 O=C(OO)[Ag][Ag] CS-0015156 [1,1,0,0,0,0|2,0,0]=4 314 B5R0.3 O=S(CO)O[Na] CS-0046582 [1,1,0,0,0,0|2,0,0]=4 315 B5R0.4 C=CS(=O)(=O)F CS-0197774 [1,1,0,0,0,0|2,0,0]=4 316 B5R0.4 C=CS(=O)(=O)[O-] CS-0157965 [1,1,0,0,0,0|2,0,0]=4 317 B5R0.4 C=CS(N)(=O)=O CS-0091212 [1,1,0,0,0,0|2,0,0]=4 318 B5R0.4 COS(C)(=O)=O CS-W004702 [1,1,0,0,0,0|1,0,1]=4 319 B5R0.4 CS(=O)(=O)O[K] CS-0179391 [1,1,0,0,0,0|2,0,0]=4 320 B5R0.4 CS(=O)(=O)O[Na] CS-0084592 [1,1,0,0,0,0|2,0,0]=4 321 B5R0.5 C=C(C)C(=O)[O-] CS-W012887 [1,1,0,0,0,0|1,0,0]=3 322 B5R0.5 C=C(C)C(N)=O CS-0031911 [1,1,0,0,0,0|1,0,0]=3 323 B5R0.5 C=C(Cl)C(=O)O CS-0187884 [1,1,0,0,0,0|1,0,0]=3 324 B5R0.5 C=C(F)C(=O)O CS-W005285 [1,1,0,0,0,0|1,0,0]=3 325 B5R0.5 CC(=O)C(=O)O CS-W020190 [1,1,0,0,0,0|1,0,0]=3 326 B5R0.5 CC(=O)C(=O)[O-] CS-W014944 [1,1,0,0,0,0|1,0,0]=3 327 B5R0.5 CC(=O)C(C)Br CS-0130132 [1,1,0,0,0,0|0,0,2]=4 328 B5R0.5 CC(=O)C(C)N CS-0105630 [1,1,0,0,0,0|0,0,2]=4 329 B5R0.5 CC(=O)C(F)F CS-0121252 [1,1,0,0,0,0|1,0,1]=4 330 B5R0.5 CC(=O)N(C)C CS-W023195 [1,1,0,0,0,0|1,0,1]=4 331 B5R0.5 CC(=O)[13C](=O)O CS-0514226 [1,1,0,0,0,0|1,0,0]=3 332 B5R0.5 CC(=O)[C@H](C)N CS-0197276 [1,1,0,0,0,0|0,0,2]=4 333 B5R0.5 CC(C)=C(C)Br CS-0188281 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.5 NC(=O)C(=O)O CS-W013748 [1,1,0,0,0,0|2,0,0]=4 335 B5R0.5 NC(=O)C(N)=O CS-W016676 [1,1,0,0,0,0|2,0,0]=4 336 B5R0.5 O=C(O)C(=O)O CS-0013716 [1,1,0,0,0,0|2,0,0]=4 337 B5R0.5 O=C(O)C(=O)O CS-0017264 [1,1,0,0,0,0|2,0,0]=4 338 B5R0.5 O=C(O)C(=O)O CS-0882464 [1,1,0,0,0,0|2,0,0]=4 339 B5R0.5 O=C(O)C(=O)O CS-W004907 [1,1,0,0,0,0|2,0,0]=4 340 B5R0.5 O=C([O-])C(=O)[O-] CS-0199246 [1,1,0,0,0,0|2,0,0]=4 341 B5R0.2 C=CCCCI CS-0135974 [1,1,0,0,0,0|1,0,1]=4 342 B5R0.2 C=CCCNC CS-0197692 [1,1,0,0,0,0|1,0,1]=4 343 B5R0.2 CC\C=C\C=O CS-0173472 [1,1,0,0,0,0|1,0,1]=4 344 B5R0.2 N#CCOC=O CS-0181845 [1,1,0,0,0,0|0,0,2]=4 345 B7R0.2 C=CC(C)OC(C)=O CS-0139597 [0,2,0,0,0,0|0,0,0]=2 346 B7R0.2 CC(C)OC(=O)CN CS-0154172 [0,2,0,0,0,0|0,0,2]=4 347 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,2,0,0,0,0|1,0,1]=4 348 B7R0.2 CNC(=O)CC(=O)O CS-0139438 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,2,0,0,0,0|2,0,0]=4 350 B7R0.2 COC(=O)CC(N)=O CS-W022821 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.2 NC(=O)NC(=O)CCl CS-0072160 [0,2,0,0,0,0|2,0,0]=4 353 B7R0.3 C=CCCC(=O)OC CS-0187527 [0,2,0,0,0,0|1,0,0]=3 354 B7R0.3 C=CCOC(=O)CCl CS-W013366 [0,2,0,0,0,0|0,0,0]=2 355 B7R0.3 C=CCOC(=O)OC CS-0040098 [0,2,0,0,0,0|0,0,0]=2 356 B7R0.3 C=C\C=C\C(=O)OC CS-0207613 [0,2,0,0,0,0|1,0,0]=3 357 B7R0.3 C=C\C=C\C(=O)OC CS-0626198 [0,2,0,0,0,0|1,0,0]=3 358 B7R0.3 CCCOC(=O)OC CS-0111112 [0,2,0,0,0,0|0,0,2]=4 359 B7R0.3 COC(=O)CNC=O CS-0187476 [0,2,0,0,0,0|2,0,0]=4 360 B7R0.3 COC(=O)\C=C\CBr CS-0146524 [0,2,0,0,0,0|1,0,1]=4 361 B7R0.3 COC(=O)\C=C\CBr CS-W008761 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.3 COC(=O)\C=C\CN CS-0187948 [0,2,0,0,0,0|1,0,1]=4 363 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [0,2,0,0,0,0|1,0,1]=4 364 B7R0.3 CO\C=C\C(=O)OC CS-W007972 [0,2,0,0,0,0|1,0,1]=4 365 B7R0.5 C=CCC(C)C(=O)O CS-W013638 [0,2,0,0,0,0|1,0,1]=4 366 B7R0.5 C=CCC(N)C(=O)O CS-0060001 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.5 C=CC[C@H](N)C(=O)O CS-W013622 [0,2,0,0,0,0|2,0,0]=4 368 B7R0.5 C=CC[C@H](N)C(=O)O CS-W016311 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.5 CCOC(=O)C(C)=O CS-0017821 [0,2,0,0,0,0|0,0,2]=4 370 B7R0.5 CCOC(=O)C(C)N CS-0151889 [0,2,0,0,0,0|0,0,2]=4 371 B7R0.5 CCOC(=O)C(F)Br CS-0198023 [0,2,0,0,0,0|0,0,2]=4 372 B7R0.5 CCOC(=O)C(F)Cl CS-0434923 [0,2,0,0,0,0|0,0,2]=4 373 B7R0.5 CCOC(=O)[C@H](C)F CS-0670914 [0,2,0,0,0,0|0,0,2]=4 374 B7R0.5 CCOC(=O)[C@H](C)N CS-0009409 [0,2,0,0,0,0|0,0,2]=4 375 B7R0.5 [C@@H](N)(CC=C)C(=O)O CS-W013623 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,2,0,0,0,0|0,0,2]=4 377 B7R0.7 C#CCC(=O)OCC CS-0667023 [0,2,0,0,0,0|0,0,2]=4 378 B7R0.7 C=C=CC(=O)OCC CS-0204496 [0,2,0,0,0,0|1,0,1]=4 379 B7R0.7 C=CCC(=O)OCC CS-0147250 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.7 CC#CC(=O)OCC CS-W009547 [0,2,0,0,0,0|0,0,2]=4 381 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,2,0,0,0,0|0,0,2]=4 382 B7R0.7 CCOC(=O)CCI CS-W002223 [0,2,0,0,0,0|0,0,2]=4 383 B7R0.7 CCOC(=O)CCN CS-W019943 [0,2,0,0,0,0|0,0,2]=4 384 B7R0.7 CCOC(=O)CCO CS-0139545 [0,2,0,0,0,0|0,0,2]=4 385 B7R0.7 CCOC(=O)CNC CS-W020595 [0,2,0,0,0,0|0,0,2]=4 386 B7R0.7 CCOC(=O)CNN CS-W002085 [0,2,0,0,0,0|0,0,2]=4 387 B7R0.7 CCOC(=O)COC CS-0008463 [0,2,0,0,0,0|0,0,2]=4 388 B7R0.7 CCOC(=O)CSC CS-0133049 [0,2,0,0,0,0|0,0,2]=4 389 B7R0.7 CCOC(=O)OCCl CS-W005334 [0,2,0,0,0,0|0,0,2]=4 390 B7R0.9 CC(=O)O[Si](C)(C)C CS-W011087 [0,2,0,0,0,0|0,1,1]=4 391 B7R0.16 CC(=O)C(C)C(C)=O CS-0095844 [0,2,0,0,0,0|1,0,1]=4 392 B7R0.16 CC(=O)C(N)C(C)=O CS-0216785 [0,2,0,0,0,0|1,0,1]=4 393 B7R0.13 C=CC(C)(C)C(=O)O CS-W006345 [0,2,0,0,0,0|2,0,0]=4 394 B7R0.4 C=CCCCC(=O)O CS-0113496 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.4 CC(=O)OCCCCl CS-W017752 [0,2,0,0,0,0|0,0,2]=4 396 B7R0.4 CC(=O)OCCCI CS-0166646 [0,2,0,0,0,0|0,0,2]=4 397 B7R0.4 CCC\C=C\C(C)=O CS-0152429 [0,2,0,0,0,0|1,0,1]=4 398 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.4 C\C=C\C=C\C(=O)O CS-0009618 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.4 C\C=C\C=C\C(=O)[O-] CS-0102519 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.4 C\C=C\C=C\C(=O)[O-] CS-0158288 [0,2,0,0,0,0|2,0,0]=4 402 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [0,2,0,0,0,0|2,0,0]=4 403 B7R0.6 C(C(=O)O)=CC(=O)O CS-W016599 [0,2,0,0,0,0|2,0,0]=4 404 B7R0.6 C(C(C)=O)=CN(C)C CS-W016611 [0,2,0,0,0,0|1,0,1]=4 405 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [0,2,0,0,0,0|1,0,0]=3 407 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [0,2,0,0,0,0|1,0,1]=4 408 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [0,2,0,0,0,0|1,0,1]=4 409 B7R0.6 CC(=O)CNC(C)=O CS-0154040 [0,2,0,0,0,0|1,0,1]=4 410 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [0,2,0,0,0,0|1,0,1]=4 411 B7R0.6 CC(=O)NNC(N)=S CS-0153946 [0,2,0,0,0,0|2,0,0]=4 412 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [0,2,0,0,0,0|0,0,1]=3 413 B7R0.6 CC(=O)OCC(N)=S CS-0248602 [0,2,0,0,0,0|0,0,1]=3 414 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [0,2,0,0,0,0|0,1,1]=4 415 B7R0.6 CC(=O)\C=C\C(=O)O CS-0155153 [0,2,0,0,0,0|1,0,0]=3 416 B7R0.6 CC(=O)\C=C\C(C)C CS-0199438 [0,2,0,0,0,0|1,0,1]=4 417 B7R0.6 NC(=O)\C=C\C(N)=O CS-0179365 [0,2,0,0,0,0|2,0,0]=4 418 B7R0.6 O=C(O)\C=C\C(=O)O CS-0158509 [0,2,0,0,0,0|2,0,0]=4 419 B7R0.6 O=C([O-])\C=C\C(=O)[O-] CS-0013603 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.8 C=CCNS(C)(=O)=O CS-0170874 [0,2,0,0,0,0|2,0,0]=4 421 B5R1.2 O=C1CCN1 CS-W011364 [1,0,0,1,0,0|1,0,1]=4 422 B5R1.2 O=C1CNC1 CS-W019264 [1,0,0,1,0,0|1,0,1]=4 423 B5R1.2 O=C1COC1 CS-M1912 [1,0,0,1,0,0|1,0,1]=4 424 B5R1.2 O=C1CSC1 CS-B0978 [1,0,0,1,0,0|1,0,1]=4 425 B5R1.1 C1=CCNC1 CS-W016634 [1,0,0,1,0,0|2,0,0]=4 426 B5R1.1 C1=CNC=C1 CS-0655066 [1,0,0,1,0,0|1,0,1]=4 427 B5R1.1 C1=CNC=N1 CS-0214094 [1,0,0,1,0,0|2,0,0]=4 428 B5R1.1 C1=CNC=N1 CS-0214156 [1,0,0,1,0,0|2,0,0]=4 429 B5R1.1 C1=CNC=N1 CS-5135 [1,0,0,1,0,0|2,0,0]=4 430 B5R1.1 C1=COC=N1 CS-0020144 [1,0,0,1,0,0|1,0,0]=3 431 B5R1.1 C1=CON=C1 CS-W011365 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.1 CCC1=CC=CN1 CS-0198957 [0,1,0,1,0,0|2,0,0]=4 433 B7R1.1 CCC1=CC=CO1 CS-W013731 [0,1,0,1,0,0|1,0,0]=3 434 B7R1.1 CCC1=NC=CN1 CS-0111073 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.1 CCC1=NC=CN1 CS-W013728 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.1 CCC1=NN=CO1 CS-0028803 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.1 CNC1=NC=CS1 CS-W006616 [0,1,0,1,0,0|1,1,0]=4 438 B7R1.1 COC1=CC=CS1 CS-W001141 [0,1,0,1,0,0|1,1,0]=4 439 B7R1.1 COC1=NC=CS1 CS-W005816 [0,1,0,1,0,0|1,1,0]=4 440 B7R1.1 CSC1=CC=CS1 CS-W013432 [0,1,0,1,0,0|1,1,0]=4 441 B7R1.1 CSC1=NC=CS1 CS-0127990 [0,1,0,1,0,0|1,1,0]=4 442 B7R1.1 ClCC1=NC=CO1 CS-D0011 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.1 N#CC1=CC=CO1 CS-W016667 [0,1,0,1,0,0|1,0,1]=4 444 B7R1.1 N#CC1=NC=CO1 CS-0103521 [0,1,0,1,0,0|1,0,1]=4 445 B7R1.1 NCC1=CC=CN1 CS-W003910 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.1 NCC1=CC=CS1 CS-W007649 [0,1,0,1,0,0|1,1,0]=4 447 B7R1.1 NCC1=CC=NO1 CS-0067551 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.1 NCC1=NC=CN1 CS-0037877 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.1 NCC1=NC=CO1 CS-0127896 [0,1,0,1,0,0|1,0,0]=3 450 B7R1.1 NCC1=NC=CS1 CS-0053668 [0,1,0,1,0,0|1,1,0]=4 451 B7R1.1 NCC1=NC=CS1 CS-0054610 [0,1,0,1,0,0|1,1,0]=4 452 B7R1.1 NCC1=NC=CS1 CS-W013635 [0,1,0,1,0,0|1,1,0]=4 453 B7R1.1 O=CC1=CC=CN1 CS-D0925 [0,1,0,1,0,0|1,0,1]=4 454 B7R1.1 O=CC1=CC=CS1 CS-W013657 [0,1,0,1,0,0|0,1,1]=4 455 B7R1.1 O=CC1=CN=CO1 CS-W000738 [0,1,0,1,0,0|1,0,1]=4 456 B7R1.1 O=CC1=NC=CN1 CS-W007321 [0,1,0,1,0,0|2,0,0]=4 457 B7R1.1 O=CC1=NC=CO1 CS-W006539 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.1 O=CC1=NC=CS1 CS-W002420 [0,1,0,1,0,0|1,1,0]=4 459 B7R1.1 OCC1=CC=CS1 CS-0022380 [0,1,0,1,0,0|1,1,0]=4 460 B7R1.1 OCC1=CC=NO1 CS-D0212 [0,1,0,1,0,0|2,0,0]=4 461 B7R1.1 OCC1=CN=CO1 CS-W003570 [0,1,0,1,0,0|2,0,0]=4 462 B7R1.1 OCC1=NC=CN1 CS-0099374 [0,1,0,1,0,0|2,0,0]=4 463 B7R1.1 OCC1=NC=CO1 CS-0054632 [0,1,0,1,0,0|1,0,0]=3 464 B7R1.1 OCC1=NC=CS1 CS-0028735 [0,1,0,1,0,0|1,1,0]=4 465 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,1,0,1,0,0|1,0,1]=4 466 B7R1.2 CC1=CC(Br)=CS1 CS-W003194 [0,1,0,1,0,0|1,1,0]=4 467 B7R1.2 CC1=CC(Br)=NO1 CS-W018569 [0,1,0,1,0,0|2,0,0]=4 468 B7R1.2 CC1=CC(C)=NO1 CS-0005667 [0,1,0,1,0,0|1,0,1]=4 469 B7R1.2 CC1=CC(N)=NO1 CS-W022416 [0,1,0,1,0,0|2,0,0]=4 470 B7R1.2 CC1=CC(O)=NO1 CS-W011330 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.2 CC1=CC=C(C)N1 CS-W011343 [0,1,0,1,0,0|2,0,0]=4 472 B7R1.2 CC1=CC=C(C)S1 CS-0022382 [0,1,0,1,0,0|1,1,0]=4 473 B7R1.2 CC1=CC=C(Cl)S1 CS-0194560 [0,1,0,1,0,0|1,1,0]=4 474 B7R1.2 CC1=CC=C(N)S1 CS-0665024 [0,1,0,1,0,0|1,1,0]=4 475 B7R1.2 CC1=CN=C(C)N1 CS-W013729 [0,1,0,1,0,0|2,0,0]=4 476 B7R1.2 CC1=CN=C(C)S1 CS-W002408 [0,1,0,1,0,0|1,1,0]=4 477 B7R1.2 CC1=CNC(=O)N1 CS-0188032 [0,1,0,1,0,0|2,0,0]=4 478 B7R1.2 CC1=CNC(C)=C1 CS-W011342 [0,1,0,1,0,0|2,0,0]=4 479 B7R1.2 CC1=COC(N)=N1 CS-0053949 [0,1,0,1,0,0|2,0,0]=4 480 B7R1.2 CC1=CSC(C)=C1 CS-0152847 [0,1,0,1,0,0|1,1,0]=4 481 B7R1.2 CC1=CSC(C)=N1 CS-W013648 [0,1,0,1,0,0|1,1,0]=4 482 B7R1.2 CC1=NC(Br)=CS1 CS-0044498 [0,1,0,1,0,0|1,1,0]=4 483 B7R1.2 CC1=NC(Br)=NO1 CS-0085087 [0,1,0,1,0,0|2,0,0]=4 484 B7R1.2 CC1=NC(I)=CN1 CS-D0992 [0,1,0,1,0,0|2,0,0]=4 485 B7R1.2 CC1=NC(N)=NO1 CS-W022407 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.2 CC1=NC=C(Br)N1 CS-0018955 [0,1,0,1,0,0|2,0,0]=4 487 B7R1.2 CC1=NC=C(Br)S1 CS-0103613 [0,1,0,1,0,0|1,1,0]=4 488 B7R1.2 CC1=NC=C(I)S1 CS-0528714 [0,1,0,1,0,0|1,1,0]=4 489 B7R1.2 CC1=NC=C(N)S1 CS-W006129 [0,1,0,1,0,0|1,1,0]=4 490 B7R1.2 CC1=NN=C(Br)O1 CS-0079631 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.2 CC1=NNC(=N)O1 CS-W005125 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.2 CC1=NNC(=O)O1 CS-W019158 [0,1,0,1,0,0|1,0,1]=4 493 B7R1.2 CC1=NNC(=S)O1 CS-0061408 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.2 CC1=NOC(=O)O1 CS-0460220 [0,1,0,1,0,0|1,0,1]=4 495 B7R1.2 CC1=NOC(N)=C1 CS-M0240 [0,1,0,1,0,0|2,0,0]=4 496 B7R1.2 CC1C=CC(=O)O1 CS-0152699 [0,1,0,1,0,0|0,0,2]=4 497 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,1,0,1,0,0|0,0,2]=4 498 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [0,1,0,1,0,0|0,0,2]=4 499 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [0,1,0,1,0,0|0,0,2]=4 500 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,1,0,1,0,0|0,0,2]=4 501 B7R1.2 NC1=NC(=O)CO1 CS-0005538 [0,1,0,1,0,0|2,0,0]=4 502 B7R1.2 NC1=NC(=O)CS1 CS-W005207 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,1,0,1,0,0|0,0,2]=4 504 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,1,0,1,0,0|0,0,2]=4 505 B7R1.2 O=C1C=C(O)CN1 CS-0311627 [0,1,0,1,0,0|2,0,0]=4 506 B7R1.2 O=C1C=CC(=O)N1 CS-W007324 [0,1,0,1,0,0|1,0,1]=4 507 B7R1.2 O=C1C=CC(O)C1 CS-0139552 [0,1,0,1,0,0|1,0,1]=4 508 B7R1.2 O=C1C=CC(O)O1 CS-0196767 [0,1,0,1,0,0|0,0,2]=4 509 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,1,0,1,0,0|1,0,1]=4 510 B7R1.2 O=C1CCC(=O)N1 CS-0019112 [0,1,0,1,0,0|1,0,1]=4 511 B7R1.2 O=C1CCC(=O)O1 CS-0011581 [0,1,0,1,0,0|0,0,1]=3 512 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [0,1,0,1,0,0|1,0,1]=4 513 B7R1.2 O=C1CNC(=O)N1 CS-W011328 [0,1,0,1,0,0|2,0,0]=4 514 B7R1.2 O=C1CNC(=O)O1 CS-W011320 [0,1,0,1,0,0|1,0,0]=3 515 B7R1.2 O=C1CNC(=S)N1 CS-W013612 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.2 O=C1COC(=O)C1 CS-W016655 [0,1,0,1,0,0|0,0,1]=3 517 B7R1.2 O=C1COC(=O)N1 CS-0005564 [0,1,0,1,0,0|1,0,1]=4 518 B7R1.2 O=C1CSC(=O)N1 CS-W019917 [0,1,0,1,0,0|2,0,0]=4 519 B7R1.2 O=C1CSC(=S)N1 CS-W011081 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.2 O=C1OCC(Cl)O1 CS-0046028 [0,1,0,1,0,0|1,0,1]=4 521 B7R1.2 O=C1OCC(F)O1 CS-0155468 [0,1,0,1,0,0|1,0,1]=4 522 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,1,0,1,0,0|0,0,2]=4 523 B7R1.3 CC1=NC=CC=N1 CS-W016665 [0,1,0,1,0,0|2,0,0]=4 524 B7R1.3 CC1=NC=CN=C1 CS-0059136 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.3 CC1=NN=CC=C1 CS-W007709 [0,1,0,1,0,0|2,0,0]=4 526 B7R1.3 CC1=NN=CC=N1 CS-0152715 [0,1,0,1,0,0|2,0,0]=4 527 B7R1.3 O=C1C=CC=CN1 CS-W009230 [0,1,0,1,0,0|1,0,1]=4 528 B7R1.3 O=C1C=CC=CO1 CS-W013734 [0,1,0,1,0,0|0,0,1]=3 529 B7R1.3 O=C1C=CC=NN1 CS-D0990 [0,1,0,1,0,0|1,0,1]=4 530 B7R1.3 O=C1C=CCCN1 CS-W006454 [0,1,0,1,0,0|1,0,1]=4 531 B7R1.3 O=C1C=CNC=C1 CS-0166783 [0,1,0,1,0,0|1,0,1]=4 532 B7R1.3 O=C1C=COC=C1 CS-0108723 [0,1,0,1,0,0|1,0,1]=4 533 B7R1.3 O=C1C=NC=CN1 CS-W013733 [0,1,0,1,0,0|1,0,1]=4 534 B7R1.3 O=C1CCCCO1 CS-W013713 [0,1,0,1,0,0|0,0,2]=4 535 B7R1.3 O=C1CCCOC1 CS-D1576 [0,1,0,1,0,0|0,0,2]=4 536 B7R1.3 O=C1CNCCO1 CS-0098127 [0,1,0,1,0,0|0,0,2]=4 537 B7R1.3 O=C1COCCO1 CS-0031423 [0,1,0,1,0,0|0,0,2]=4 538 B7R1.3 O=C1N=CC=CN1 CS-0021072 [0,1,0,1,0,0|1,0,1]=4 539 B7R1.3 O=C1N=CC=CN1 CS-W002079 [0,1,0,1,0,0|1,0,1]=4 540 B7R1.3 O=C1NCCCO1 CS-0088044 [0,1,0,1,0,0|0,0,2]=4 541 B7R1.3 O=C1OCCCO1 CS-0155207 [0,1,0,1,0,0|0,0,2]=4 542 B7R1.4 CC1=C(Br)C=CS1 CS-0153498 [0,1,0,1,0,0|1,1,0]=4 543 B7R1.4 CC1=C(Br)C=NO1 CS-W006910 [0,1,0,1,0,0|2,0,0]=4 544 B7R1.4 CC1=C(Br)SC=C1 CS-W002276 [0,1,0,1,0,0|1,1,0]=4 545 B7R1.4 CC1=C(C)SC=C1 CS-W011263 [0,1,0,1,0,0|1,1,0]=4 546 B7R1.4 CC1=C(Cl)C=CS1 CS-0187856 [0,1,0,1,0,0|1,1,0]=4 547 B7R1.4 CC1=C(I)SC=C1 CS-0527678 [0,1,0,1,0,0|1,1,0]=4 548 B7R1.4 CC1=C(S)C=CO1 CS-W011245 [0,1,0,1,0,0|0,1,0]=3 549 B7R1.4 CC1=CCCC1=O CS-0180943 [0,1,0,1,0,0|1,0,1]=4 550 B7R1.4 CC1=NC=CN1C CS-W016663 [0,1,0,1,0,0|2,0,0]=4 551 B7R1.4 CC1CCOC1=O CS-0152675 [0,1,0,1,0,0|0,0,2]=4 552 B7R1.4 CN1C=CN=C1Br CS-W002911 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.4 CN1C=CN=C1Cl CS-0101166 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.4 CN1C=CN=C1I CS-W003999 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.4 CN1C=CN=C1N CS-0139784 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.4 CN1C=CN=C1N CS-W004745 [0,1,0,1,0,0|2,0,0]=4 557 B7R1.4 CN1C=CN=C1O CS-0199419 [0,1,0,1,0,0|1,0,1]=4 558 B7R1.4 CN1C=CNC1=S CS-2149 [0,1,0,1,0,0|1,1,0]=4 559 B7R1.4 CN1CCOC1=O CS-W016647 [0,1,0,1,0,0|0,0,2]=4 560 B7R1.4 CN1N=CCC1=O CS-0151202 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.4 CN1NC=CC1=O CS-0151204 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.4 CN1SC=CC1=O CS-W010959 [0,1,0,1,0,0|1,1,0]=4 563 B7R1.4 CN1SC=CC1=O CS-W011236 [0,1,0,1,0,0|1,1,0]=4 564 B7R1.4 NC1CCOC1=O CS-0051531 [0,1,0,1,0,0|0,0,2]=4 565 B7R1.4 N[C@@H]1CCOC1=O CS-0022064 [0,1,0,1,0,0|0,0,2]=4 566 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,1,0,1,0,0|0,0,2]=4 567 B7R1.4 O=C1CCC=C1O CS-W019237 [0,1,0,1,0,0|1,0,1]=4 568 B7R1.4 O=C1OCCC1Br CS-W001104 [0,1,0,1,0,0|0,0,2]=4 569 B7R1.4 O=C1OCCC1O CS-W013699 [0,1,0,1,0,0|0,0,2]=4 570 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [0,1,0,1,0,0|0,0,2]=4 571 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,1,0,1,0,0|0,0,2]=4 572 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,1,0,1,0,0|0,0,2]=4 573 B7R1.14 O=S1(=O)C=CCO1 CS-W003828 [0,1,0,1,0,0|2,0,0]=4