0 B4R0.2 C#CCCI CS-0088596 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.2 CCCON CS-0106185 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.2 CNCCF CS-0103514 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.2 CNCCN CS-0108722 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.2 COCCBr CS-0015336 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.2 NCCCF CS-0088913 [0,0,0,0,0,0|2,0,0]=2 6 B3R0.1 NCCO CS-0088236 [1,0,0,0,0,0|1,0,0]=2 7 B5R0.1 CC(=O)NCO CS-0061075 [0,1,0,0,0,0|1,0,1]=3 8 B5R0.1 CC(=O)\C=N\O CS-0039829 [0,1,0,0,0,0|1,0,2]=4 9 B5R0.1 CC(F)CCN CS-0106774 [0,1,0,0,0,0|1,0,0]=2 10 B5R0.1 CC(O)CCN CS-0113030 [0,1,0,0,0,0|1,0,0]=2 11 B5R0.1 CC(O)CCN CS-0113103 [0,1,0,0,0,0|1,0,0]=2 12 B5R0.1 CC(O)CNN CS-0035530 [0,1,0,0,0,0|2,0,0]=3 13 B5R0.1 CC(O)CNN CS-0036622 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.1 CCCC(=N)N CS-W013544 [0,1,0,0,0,0|1,0,1]=3 15 B5R0.1 C[C@@H](O)CCN CS-0113026 [0,1,0,0,0,0|1,0,0]=2 16 B5R0.1 C[C@@H](O)CCN CS-0113150 [0,1,0,0,0,0|1,0,0]=2 17 B5R0.1 C[C@H](N)CC#N CS-0099938 [0,1,0,0,0,0|1,0,1]=3 18 B5R0.1 C[C@H](O)CCN CS-0113024 [0,1,0,0,0,0|1,0,0]=2 19 B5R0.1 C[C@H](O)CCN CS-0113046 [0,1,0,0,0,0|1,0,0]=2 20 B5R0.1 C\C=C\B(O)O CS-0086306 [0,1,0,0,0,0|1,0,2]=4 21 B5R0.1 NCCC(F)F CS-0112580 [0,1,0,0,0,0|2,0,0]=3 22 B5R0.1 O=C(O)CCF CS-0038385 [0,1,0,0,0,0|1,0,1]=3 23 B5R0.2 BrC\C=C\CBr CS-0005942 [0,1,0,0,0,0|1,0,2]=4 24 B5R0.2 C#CCCCI CS-0088561 [0,1,0,0,0,0|1,0,1]=3 25 B5R0.2 C#CCCCN CS-0038434 [0,1,0,0,0,0|1,0,1]=3 26 B5R0.2 CCCCON CS-0106180 [0,1,0,0,0,0|0,0,0]=1 27 B5R0.2 CCO\C=C\Br CS-0037281 [0,1,0,0,0,0|1,0,2]=4 28 B5R0.2 NCCCNN CS-0037551 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.3 C=CC(N)CO CS-0091316 [0,1,0,0,0,0|0,0,2]=3 30 B5R0.3 C=C[C@@H](N)CO CS-0089925 [0,1,0,0,0,0|0,0,2]=3 31 B5R0.3 C=C[C@@H](N)CO CS-0091315 [0,1,0,0,0,0|0,0,2]=3 32 B5R0.3 C=C[C@H](N)CO CS-0089895 [0,1,0,0,0,0|0,0,2]=3 33 B5R0.3 CCC(=O)CO CS-W005327 [0,1,0,0,0,0|0,0,1]=2 34 B5R0.3 CC[C@@H](O)CN CS-0096325 [0,1,0,0,0,0|1,0,0]=2 35 B5R0.3 CC[C@H](O)CN CS-0046763 [0,1,0,0,0,0|1,0,0]=2 36 B5R0.3 CO[C@@H](C)CO CS-0096324 [0,1,0,0,0,0|1,0,0]=2 37 B5R0.3 C[C@@H](CO)CBr CS-0101486 [0,1,0,0,0,0|1,0,0]=2 38 B5R0.3 N=C(CO)NO CS-0091317 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.3 NC(CO)CF CS-0091321 [0,1,0,0,0,0|1,0,0]=2 40 B5R0.3 NC(CO)CS CS-0089528 [0,1,0,0,0,0|1,0,0]=2 41 B5R0.3 NCC(N)CO CS-0091318 [0,1,0,0,0,0|1,0,0]=2 42 B5R0.3 NC[C@@H](N)CO CS-0091319 [0,1,0,0,0,0|1,0,0]=2 43 B5R0.3 NC[C@H](F)CO CS-0053431 [0,1,0,0,0,0|1,0,0]=2 44 B5R0.3 N[C@H](CO)CS CS-0089529 [0,1,0,0,0,0|1,0,0]=2 45 B5R1.1 C1=CCNC1 CS-W016634 [0,0,0,1,0,0|1,0,2]=4 46 B5R1.2 BrC1CNC1 CS-0051440 [0,0,0,1,0,0|2,0,0]=3 47 B5R1.2 CC1CCN1 CS-0051841 [0,0,0,1,0,0|1,0,0]=2 48 B5R1.2 CC1CNC1 CS-W019342 [0,0,0,1,0,0|2,0,0]=3 49 B5R1.2 C[C@@H]1CCN1 CS-0100346 [0,0,0,1,0,0|1,0,0]=2 50 B5R1.2 ClC1CNC1 CS-0051403 [0,0,0,1,0,0|2,0,0]=3 51 B5R1.2 FC1CNC1 CS-0102321 [0,0,0,1,0,0|2,0,0]=3 52 B5R1.2 NC1CSC1 CS-0045517 [0,0,0,1,0,0|2,0,0]=3 53 B5R1.2 OC1CSC1 CS-0045447 [0,0,0,1,0,0|1,0,0]=2 54 B5R1.2 SC1CNC1 CS-0049912 [0,0,0,1,0,0|1,1,0]=3 55 B5R1.2 SC1COC1 CS-0048763 [0,0,0,1,0,0|1,1,0]=3 56 B5R1.3 OCC1CO1 CS-0016001 [0,0,0,1,0,0|1,0,0]=2 57 B5R1.4 N[C@@H]1C[C@@H]1F CS-0101187 [0,0,0,1,0,0|2,0,0]=3 58 B2R0.1 O[Pd]O CS-0100451 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 NC(=S)CO CS-0091320 [1,1,0,0,0,0|1,0,1]=4 60 B4R0.1 [C@H](C)(N)CO CS-W011362 [1,1,0,0,0,0|0,0,0]=2 61 B6R0.1 C#CCC(O)CO CS-0088972 [0,2,0,0,0,0|0,0,1]=3 62 B6R0.1 C=CCC(N)CO CS-0091325 [0,2,0,0,0,0|0,0,1]=3 63 B6R0.1 CCCC(N)CO CS-0089892 [0,2,0,0,0,0|0,0,0]=2 64 B6R0.1 CCC[C@@H](N)CO CS-0088083 [0,2,0,0,0,0|0,0,0]=2 65 B6R0.1 CCNC(=O)CCl CS-0037573 [0,2,0,0,0,0|1,0,1]=4 66 B6R0.1 COCC(N)CO CS-0091346 [0,2,0,0,0,0|0,0,0]=2 67 B6R0.1 COCC(N)CO CS-0106469 [0,2,0,0,0,0|0,0,0]=2 68 B6R0.1 COCC(O)CN CS-0106474 [0,2,0,0,0,0|1,0,0]=3 69 B6R0.1 COC[C@@H](N)CO CS-0091344 [0,2,0,0,0,0|0,0,0]=2 70 B6R0.1 COC[C@H](N)CO CS-0091345 [0,2,0,0,0,0|0,0,0]=2 71 B6R0.1 NC(CO)CCO CS-0091333 [0,2,0,0,0,0|0,0,0]=2 72 B6R0.1 N[C@@H](CO)CCO CS-0091341 [0,2,0,0,0,0|0,0,0]=2 73 B6R0.1 N[C@H](CO)CCO CS-0091335 [0,2,0,0,0,0|0,0,0]=2 74 B6R0.2 CC(N)CN(C)C CS-B1299 [0,2,0,0,0,0|2,0,0]=4 75 B6R0.3 CC(O)C(N)CO CS-0091337 [0,2,0,0,0,0|0,0,0]=2 76 B6R0.3 CN(C)C(=O)CO CS-0077250 [0,2,0,0,0,0|1,0,1]=4 77 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [0,2,0,0,0,0|1,0,1]=4 78 B6R0.3 C[C@@H](O)[C@@H](N)CO CS-0091338 [0,2,0,0,0,0|0,0,0]=2 79 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [0,2,0,0,0,0|1,0,1]=4 80 B6R0.3 C[C@H](O)[C@H](N)CO CS-0091343 [0,2,0,0,0,0|0,0,0]=2 81 B6R0.3 NC(=O)C(N)CO CS-0091330 [0,2,0,0,0,0|1,0,1]=4 82 B6R0.3 NC(=O)[C@@H](N)CO CS-0091329 [0,2,0,0,0,0|1,0,1]=4 83 B6R0.3 NC(=O)[C@H](N)CO CS-0091331 [0,2,0,0,0,0|1,0,1]=4 84 B6R0.3 NCC(F)C(=O)O CS-W011291 [0,2,0,0,0,0|1,0,1]=4 85 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [0,2,0,0,0,0|1,0,1]=4 86 B6R0.4 CC(=O)CCCBr CS-0103669 [0,2,0,0,0,0|1,0,0]=3 87 B6R0.4 CC(=O)NCCBr CS-0112060 [0,2,0,0,0,0|1,0,1]=4 88 B6R0.4 CC(F)CCCN CS-0104689 [0,2,0,0,0,0|1,0,0]=3 89 B6R0.4 CN(C)CCCCl CS-W004690 [0,2,0,0,0,0|1,0,0]=3 90 B6R0.4 CNCCC(=O)O CS-0112815 [0,2,0,0,0,0|0,0,1]=3 91 B6R0.4 NCCCC(F)F CS-0098955 [0,2,0,0,0,0|1,0,0]=3 92 B6R0.5 CC(C)(O)CCBr CS-W018816 [0,2,0,0,0,0|1,0,0]=3 93 B6R0.5 CC(C)(O)CON CS-0091973 [0,2,0,0,0,0|2,0,0]=4 94 B6R0.5 CC(C)(O)CON CS-0091974 [0,2,0,0,0,0|2,0,0]=4 95 B6R0.5 CNCC(C)(C)O CS-0038213 [0,2,0,0,0,0|1,0,0]=3 96 B6R0.5 CS(=O)(=O)CCO CS-0059238 [0,2,0,0,0,0|1,0,0]=3 97 B6R0.5 CSCC(C)(C)N CS-0107363 [0,2,0,0,0,0|2,0,0]=4 98 B6R0.5 FC(F)(F)CCI CS-W002174 [0,2,0,0,0,0|2,0,0]=4 99 B6R0.6 C#CCCCCI CS-0088557 [0,2,0,0,0,0|1,0,0]=3 100 B6R0.6 C#CCCCCN CS-0059697 [0,2,0,0,0,0|1,0,0]=3 101 B6R0.6 C#CCCCCN CS-0106594 [0,2,0,0,0,0|1,0,0]=3 102 B6R0.6 C#CCNCCBr CS-0069298 [0,2,0,0,0,0|1,0,1]=4 103 B6R0.8 C=CC(C)(N)CO CS-0091324 [0,2,0,0,0,0|0,0,2]=4 104 B6R0.8 CC(N)(C#N)CO CS-0091322 [0,2,0,0,0,0|1,0,1]=4 105 B6R0.8 CCC(C)(N)CO CS-0091232 [0,2,0,0,0,0|0,0,0]=2 106 B6R0.8 CCS(=O)(=O)CCl CS-0035589 [0,2,0,0,0,0|2,0,0]=4 107 B6R0.8 NCC(F)(F)CN CS-0111734 [0,2,0,0,0,0|2,0,0]=4 108 B6R0.8 NCC(F)(F)CO CS-D0487 [0,2,0,0,0,0|1,0,0]=3 109 B6R0.9 CCC(CBr)CBr CS-0059688 [0,2,0,0,0,0|1,0,0]=3 110 B6R0.9 OCC(CO)CO CS-W005889 [0,2,0,0,0,0|1,0,0]=3 111 B6R1.2 CC1=NNCC1 CS-0104811 [0,1,0,1,0,0|1,0,1]=4 112 B6R1.2 CC1CCCN1 CS-0051829 [0,1,0,1,0,0|1,0,0]=3 113 B6R1.2 NC1CCSC1 CS-0046717 [0,1,0,1,0,0|0,1,0]=3 114 B6R1.2 N[C@H]1CCOC1 CS-0053253 [0,1,0,1,0,0|0,0,0]=2 115 B6R1.2 O=C1CCON1 CS-W019350 [0,1,0,1,0,0|1,0,1]=4 116 B6R1.2 O=C1NCCO1 CS-W007548 [0,1,0,1,0,0|1,0,1]=4 117 B6R1.2 OC1CCNC1 CS-W002985 [0,1,0,1,0,0|0,0,0]=2 118 B6R1.2 O[C@@H]1CNOC1 CS-0060090 [0,1,0,1,0,0|1,0,0]=3 119 B6R1.2 O[C@H]1CNOC1 CS-0060087 [0,1,0,1,0,0|1,0,0]=3 120 B6R1.3 ICCC1CC1 CS-0012702 [0,1,0,1,0,0|1,0,0]=3 121 B6R1.3 NNCC1CC1 CS-0053098 [0,1,0,1,0,0|1,0,0]=3 122 B6R1.5 CC1CC(=O)N1 CS-0046688 [0,1,0,1,0,0|0,0,2]=4 123 B6R1.5 CN1CC(N)C1 CS-0045520 [0,1,0,1,0,0|2,0,0]=4 124 B6R1.5 C[C@H]1C[C@@H](N)C1 CS-0049698 [0,1,0,1,0,0|1,0,0]=3 125 B6R1.5 NC1CC(N)C1 CS-0049638 [0,1,0,1,0,0|1,0,0]=3 126 B6R1.5 NC1CC(O)C1 CS-W020372 [0,1,0,1,0,0|0,0,0]=2 127 B6R1.5 NN1CC(O)C1 CS-0052640 [0,1,0,1,0,0|1,0,0]=3 128 B6R1.5 N[C@H]1C[C@@H](F)C1 CS-0049708 [0,1,0,1,0,0|1,0,0]=3 129 B6R1.5 N[C@H]1C[C@@H](N)C1 CS-0049755 [0,1,0,1,0,0|1,0,0]=3 130 B6R1.5 N[C@H]1C[C@H](F)C1 CS-0047786 [0,1,0,1,0,0|1,0,0]=3 131 B6R1.5 N[C@H]1C[C@H](N)C1 CS-0047838 [0,1,0,1,0,0|1,0,0]=3 132 B6R1.5 N[C@H]1C[C@H](N)C1 CS-0047839 [0,1,0,1,0,0|1,0,0]=3 133 B6R1.5 N[C@H]1C[C@H](O)C1 CS-0047791 [0,1,0,1,0,0|0,0,0]=2 134 B6R1.5 O=C1CC(Br)C1 CS-0040508 [0,1,0,1,0,0|0,0,2]=4 135 B6R1.5 OC1CC(O)C1 CS-0049637 [0,1,0,1,0,0|0,0,0]=2 136 B6R1.5 O[C@H]1C[C@@H](F)C1 CS-0049706 [0,1,0,1,0,0|0,0,0]=2 137 B6R1.5 O[C@H]1C[C@H](F)C1 CS-0047784 [0,1,0,1,0,0|0,0,0]=2 138 B6R1.5 O[C@H]1C[C@H](O)C1 CS-0056268 [0,1,0,1,0,0|0,0,0]=2 139 B6R1.8 COC1CC1N CS-0096341 [0,1,0,1,0,0|1,0,0]=3 140 B6R1.8 CO[C@@H]1C[C@H]1N CS-0081493 [0,1,0,1,0,0|1,0,0]=3 141 B6R1.9 CC1(C)CC1O CS-0081490 [0,1,0,1,0,0|0,0,0]=2 142 B6R1.9 CC1CC1(C)O CS-0098175 [0,1,0,1,0,0|0,0,0]=2 143 B6R1.9 NC1CC1(F)F CS-W000385 [0,1,0,1,0,0|2,0,0]=4 144 B6R1.10 CC1(F)CNC1 CS-0051364 [0,1,0,1,0,0|2,0,0]=4 145 B6R1.10 CC1(N)CCC1 CS-0089780 [0,1,0,1,0,0|1,0,0]=3 146 B6R1.10 CC1(N)CNC1 CS-0051248 [0,1,0,1,0,0|2,0,0]=4 147 B6R1.10 CC1(N)COC1 CS-0045507 [0,1,0,1,0,0|2,0,0]=4 148 B6R1.10 CC1(N)CSC1 CS-0045441 [0,1,0,1,0,0|2,0,0]=4 149 B6R1.10 CC1(O)CSC1 CS-0051237 [0,1,0,1,0,0|1,0,0]=3 150 B6R1.10 FC1(F)CNC1 CS-0102322 [0,1,0,1,0,0|2,0,0]=4 151 B6R1.11 CC(N)C1CC1 CS-0099739 [0,1,0,1,0,0|1,0,0]=3 152 B6R1.11 CC(N)C1CC1 CS-0112917 [0,1,0,1,0,0|1,0,0]=3 153 B6R1.11 N=C(N)C1CC1 CS-0036166 [0,1,0,1,0,0|1,0,1]=4 154 B6R1.11 O=C(O)[C@@H]1CN1 CS-0111707 [0,1,0,1,0,0|1,0,1]=4 155 B6R1.4 CC1CNC1=O CS-0046512 [0,1,0,1,0,0|0,0,2]=4 156 B6R1.4 CC1OCC1O CS-0051834 [0,1,0,1,0,0|0,0,0]=2 157 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,1,0,1,0,0|0,0,0]=2 158 B6R1.4 N[C@H]1CC[C@H]1O CS-0049745 [0,1,0,1,0,0|0,0,0]=2 159 B6R1.4 O=C1NCC1O CS-0112791 [0,1,0,1,0,0|1,0,1]=4 160 B6R1.6 BrCC1CCO1 CS-0045505 [0,1,0,1,0,0|0,0,0]=2 161 B6R1.6 C#CC1CNC1 CS-0102283 [0,1,0,1,0,0|1,0,1]=4 162 B6R1.6 CSC1CNC1 CS-0051673 [0,1,0,1,0,0|1,1,0]=4 163 B6R1.6 ClCC1COC1 CS-0051702 [0,1,0,1,0,0|1,0,0]=3 164 B6R1.6 FCC1CNC1 CS-0085106 [0,1,0,1,0,0|1,0,0]=3 165 B6R1.6 FCC1CNC1 CS-0102314 [0,1,0,1,0,0|1,0,0]=3 166 B6R1.6 ICC1CCC1 CS-0053096 [0,1,0,1,0,0|1,0,0]=3 167 B6R1.6 ICC1CCO1 CS-0052227 [0,1,0,1,0,0|0,0,0]=2 168 B6R1.6 ICC1COC1 CS-0045504 [0,1,0,1,0,0|1,0,0]=3 169 B6R1.6 N#C[C@@H]1CCN1 CS-0049776 [0,1,0,1,0,0|1,0,1]=4 170 B6R1.6 NCC1CCN1 CS-0049914 [0,1,0,1,0,0|1,0,0]=3 171 B6R1.6 NCC1CCO1 CS-0048767 [0,1,0,1,0,0|0,0,0]=2 172 B6R1.6 NCC1CNC1 CS-0089832 [0,1,0,1,0,0|1,0,0]=3 173 B6R1.6 NCC1COC1 CS-W008698 [0,1,0,1,0,0|1,0,0]=3 174 B6R1.6 NCC1CSC1 CS-0045533 [0,1,0,1,0,0|1,0,0]=3 175 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [0,1,0,1,0,0|0,0,0]=2 176 B6R1.6 NC[C@H]1CCO1 CS-0102901 [0,1,0,1,0,0|0,0,0]=2 177 B6R1.6 O=CC1COC1 CS-0048764 [0,1,0,1,0,0|0,0,2]=4 178 B6R1.6 OCC1CCN1 CS-0049913 [0,1,0,1,0,0|0,0,0]=2 179 B6R1.6 OCC1CSC1 CS-0045518 [0,1,0,1,0,0|0,0,0]=2 180 B6R1.7 CC1(CO)CO1 CS-0089842 [0,1,0,1,0,0|1,0,0]=3 181 B6R1.7 C[C@@]1(CO)CO1 CS-0093325 [0,1,0,1,0,0|1,0,0]=3