0 B5R0.3 C=CC(N)CO CS-0091316 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 C=C[C@@H](N)CO CS-0089925 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 C=C[C@@H](N)CO CS-0091315 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 C=C[C@H](N)CO CS-0089895 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 CCC(=O)CO CS-W005327 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.3 CC[C@@H](O)CN CS-0096325 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CC[C@H](O)CN CS-0046763 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 CO[C@@H](C)CO CS-0096324 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.3 C[C@@H](CO)CBr CS-0101486 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.3 NC(CO)CF CS-0091321 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 NC(CO)CS CS-0089528 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.3 NCC(N)CO CS-0091318 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.3 NC[C@@H](N)CO CS-0091319 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 NC[C@H](F)CO CS-0053431 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.3 N[C@H](CO)CS CS-0089529 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 C=C(Br)CN CS-0106981 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CN(N)C=O CS-0084846 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.1 [C@H](C)(N)CO CS-W011362 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.2 C#CCCI CS-0088596 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.2 CCCON CS-0106185 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.2 CNCCF CS-0103514 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 CNCCN CS-0108722 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 COCCBr CS-0015336 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 NCCCF CS-0088913 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.1 C=CCC(N)CO CS-0091325 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.1 CCCC(N)CO CS-0089892 [0,1,0,0,0,0|1,0,2]=4 26 B6R0.1 CCC[C@@H](N)CO CS-0088083 [0,1,0,0,0,0|1,0,2]=4 27 B6R0.1 COCC(N)CO CS-0091346 [0,1,0,0,0,0|1,0,2]=4 28 B6R0.1 COCC(N)CO CS-0106469 [0,1,0,0,0,0|1,0,2]=4 29 B6R0.1 COCC(O)CN CS-0106474 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.1 COC[C@@H](N)CO CS-0091344 [0,1,0,0,0,0|1,0,2]=4 31 B6R0.1 COC[C@H](N)CO CS-0091345 [0,1,0,0,0,0|1,0,2]=4 32 B6R0.1 NC(CO)CCO CS-0091333 [0,1,0,0,0,0|1,0,2]=4 33 B6R0.1 N[C@@H](CO)CCO CS-0091341 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.1 N[C@H](CO)CCO CS-0091335 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.3 CC(O)C(N)CO CS-0091337 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.3 CNC(=O)C(=O)O CS-0113142 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.3 C[C@@H](O)[C@@H](N)CO CS-0091338 [0,1,0,0,0,0|1,0,2]=4 40 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.3 C[C@H](O)[C@H](N)CO CS-0091343 [0,1,0,0,0,0|1,0,2]=4 42 B6R0.3 NC(=O)C(N)CO CS-0091330 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.3 NC(=O)[C@@H](N)CO CS-0091329 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.3 NC(=O)[C@H](N)CO CS-0091331 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.3 NCC(F)C(=O)O CS-W011291 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.8 C=CC(C)(N)CO CS-0091324 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.8 CC(N)(C#N)CO CS-0091322 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.8 CCC(C)(N)CO CS-0091232 [0,1,0,0,0,0|0,0,2]=3 50 B6R0.8 COC(C)(C)ON CS-0108444 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.9 CCC(CBr)CBr CS-0059688 [0,1,0,0,0,0|1,0,1]=3 52 B6R0.9 OCC(CO)CO CS-W005889 [0,1,0,0,0,0|1,0,2]=4 53 B6R1.2 CC1=NNCC1 CS-0104811 [0,0,0,1,0,0|2,0,1]=4 54 B6R1.2 CC1CCCN1 CS-0051829 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.2 NC1CCSC1 CS-0046717 [0,0,0,1,0,0|1,1,1]=4 56 B6R1.2 N[C@H]1CCOC1 CS-0053253 [0,0,0,1,0,0|1,0,2]=4 57 B6R1.2 OC1CCNC1 CS-W002985 [0,0,0,1,0,0|2,0,1]=4 58 B6R1.4 CC1CNC1=O CS-0046512 [0,0,0,1,0,0|1,0,0]=2 59 B6R1.4 CC1OCC1O CS-0051834 [0,0,0,1,0,0|1,0,2]=4 60 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,0,0,1,0,0|1,0,2]=4 61 B6R1.4 N[C@H]1CC[C@H]1O CS-0049745 [0,0,0,1,0,0|1,0,2]=4 62 B6R1.4 N[C@H]1CNC1=O CS-0053270 [0,0,0,1,0,0|2,0,0]=3 63 B6R1.4 O=C1NCC1O CS-0112791 [0,0,0,1,0,0|2,0,0]=3 64 B6R1.6 BrCC1CCO1 CS-0045505 [0,0,0,1,0,0|2,0,1]=4 65 B6R1.6 C#CC1CNC1 CS-0102283 [0,0,0,1,0,0|2,0,1]=4 66 B6R1.6 CSC1CNC1 CS-0051673 [0,0,0,1,0,0|2,0,1]=4 67 B6R1.6 ClCC1COC1 CS-0051702 [0,0,0,1,0,0|1,0,2]=4 68 B6R1.6 FCC1CNC1 CS-0085106 [0,0,0,1,0,0|2,0,1]=4 69 B6R1.6 FCC1CNC1 CS-0102314 [0,0,0,1,0,0|2,0,1]=4 70 B6R1.6 ICC1CCC1 CS-0053096 [0,0,0,1,0,0|1,0,1]=3 71 B6R1.6 ICC1CCO1 CS-0052227 [0,0,0,1,0,0|2,0,1]=4 72 B6R1.6 ICC1COC1 CS-0045504 [0,0,0,1,0,0|1,0,2]=4 73 B6R1.6 N#C[C@@H]1CCN1 CS-0049776 [0,0,0,1,0,0|2,0,1]=4 74 B6R1.6 NCC1CCN1 CS-0049914 [0,0,0,1,0,0|2,0,1]=4 75 B6R1.6 NCC1CCO1 CS-0048767 [0,0,0,1,0,0|2,0,1]=4 76 B6R1.6 NCC1CNC1 CS-0089832 [0,0,0,1,0,0|2,0,1]=4 77 B6R1.6 NCC1COC1 CS-W008698 [0,0,0,1,0,0|1,0,2]=4 78 B6R1.6 NCC1CSC1 CS-0045533 [0,0,0,1,0,0|1,1,1]=4 79 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [0,0,0,1,0,0|2,0,1]=4 80 B6R1.6 NC[C@H]1CCO1 CS-0102901 [0,0,0,1,0,0|2,0,1]=4 81 B6R1.6 O=CC1COC1 CS-0048764 [0,0,0,1,0,0|1,0,0]=2 82 B6R1.6 OCC1CCN1 CS-0049913 [0,0,0,1,0,0|1,0,2]=4 83 B6R1.6 OCC1CSC1 CS-0045518 [0,0,0,1,0,0|1,0,2]=4 84 B6R1.7 CC1(CO)CO1 CS-0089842 [0,0,0,1,0,0|1,0,2]=4 85 B6R1.7 C[C@@]1(CO)CO1 CS-0093325 [0,0,0,1,0,0|1,0,2]=4 86 B6R1.8 COC1CC1N CS-0096341 [0,0,0,1,0,0|2,0,1]=4 87 B6R1.8 CO[C@@H]1C[C@H]1N CS-0081493 [0,0,0,1,0,0|2,0,1]=4 88 B3R0.1 NCCO CS-0088236 [2,0,0,0,0,0|1,0,1]=4 89 B3R0.2 CN(C)N CS-M2143 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.1 CC(=O)NCO CS-0061075 [1,1,0,0,0,0|1,0,1]=4 91 B5R0.1 CC(F)CCN CS-0106774 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.1 CC(O)CCN CS-0113030 [1,1,0,0,0,0|0,0,1]=3 93 B5R0.1 CC(O)CCN CS-0113103 [1,1,0,0,0,0|0,0,1]=3 94 B5R0.1 CC(O)CNN CS-0035530 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.1 CC(O)CNN CS-0036622 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.1 C[C@@H](O)CCN CS-0113026 [1,1,0,0,0,0|0,0,1]=3 97 B5R0.1 C[C@@H](O)CCN CS-0113150 [1,1,0,0,0,0|0,0,1]=3 98 B5R0.1 C[C@H](N)CC#N CS-0099938 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.1 C[C@H](O)CCN CS-0113024 [1,1,0,0,0,0|0,0,1]=3 100 B5R0.1 C[C@H](O)CCN CS-0113046 [1,1,0,0,0,0|0,0,1]=3 101 B5R0.1 NCCC(F)F CS-0112580 [1,1,0,0,0,0|2,0,0]=4 102 B5R0.1 O=C(O)CCF CS-0038385 [1,1,0,0,0,0|1,0,1]=4 103 B5R0.4 CC(C)(F)CN CS-0060975 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.5 CC(N)C(N)=O CS-0036447 [1,1,0,0,0,0|1,0,0]=3 105 B5R0.5 CC(O)C(=N)N CS-0037354 [1,1,0,0,0,0|2,0,0]=4 106 B5R0.5 CN(C)C(=N)N CS-0036167 [1,1,0,0,0,0|2,0,0]=4 107 B5R0.5 CN(C)C(=N)N CS-0092661 [1,1,0,0,0,0|2,0,0]=4 108 B5R0.2 C#CCCCI CS-0088561 [1,1,0,0,0,0|1,0,1]=4 109 B5R0.2 C#CCCCN CS-0038434 [1,1,0,0,0,0|1,0,1]=4 110 B5R0.2 CCCCON CS-0106180 [1,1,0,0,0,0|0,0,2]=4 111 B5R0.2 CCO\C=C\Br CS-0037281 [1,1,0,0,0,0|1,0,1]=4 112 B5R0.2 NCCCNN CS-0037551 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.2 CN[C@H](C)CC(=O)O CS-0021843 [0,2,0,0,0,0|1,0,0]=3 114 B7R0.5 C=CCC(N)C(=O)O CS-0060001 [0,2,0,0,0,0|1,0,1]=4 115 B7R0.5 CC(=O)N(C)CCO CS-0112257 [0,2,0,0,0,0|1,0,0]=3 116 B7R0.5 NCCC(F)C(=O)O CS-0095010 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.10 CCC(C)C(N)CO CS-0091231 [0,2,0,0,0,0|0,0,2]=4 118 B7R0.10 CC[C@@H](N)C(=O)OC CS-0100678 [0,2,0,0,0,0|1,0,0]=3 119 B7R0.10 COC(=O)[C@H](N)CS CS-D0363 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.11 C=CC[C@@](C)(N)CO CS-0089536 [0,2,0,0,0,0|2,0,0]=4 121 B7R0.11 C=CC[C@](C)(N)CO CS-0089533 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.11 CCCC(C)(N)CO CS-0091365 [0,2,0,0,0,0|0,0,2]=4 123 B7R0.13 C#CC(C)(C)C(N)=O CS-0094736 [0,2,0,0,0,0|0,0,2]=4 124 B7R0.13 CC(C)(CN)C(=O)O CS-0107300 [0,2,0,0,0,0|1,0,0]=3 125 B7R0.13 CC(C)C(C)(N)CO CS-0091366 [0,2,0,0,0,0|0,0,2]=4 126 B7R0.16 CC(C)[C@@H](Br)C(=O)O CS-W017175 [0,2,0,0,0,0|1,0,0]=3 127 B7R0.18 CCC(N)(CC)CO CS-0091369 [0,2,0,0,0,0|0,0,2]=4 128 B7R0.18 CCC(N)(CO)CO CS-0089934 [0,2,0,0,0,0|0,0,2]=4 129 B5R1.2 BrC1CNC1 CS-0051440 [1,0,0,1,0,0|2,0,0]=4 130 B5R1.2 CC1CCN1 CS-0051841 [1,0,0,1,0,0|1,0,0]=3 131 B5R1.2 CC1CNC1 CS-W019342 [1,0,0,1,0,0|1,0,1]=4 132 B5R1.2 C[C@@H]1CCN1 CS-0100346 [1,0,0,1,0,0|1,0,0]=3 133 B5R1.2 ClC1CNC1 CS-0051403 [1,0,0,1,0,0|2,0,0]=4 134 B5R1.2 FC1CNC1 CS-0102321 [1,0,0,1,0,0|2,0,0]=4 135 B5R1.2 NC1CSC1 CS-0045517 [1,0,0,1,0,0|2,0,0]=4 136 B5R1.2 OC1CSC1 CS-0045447 [1,0,0,1,0,0|1,0,1]=4 137 B5R1.2 SC1CNC1 CS-0049912 [1,0,0,1,0,0|1,1,0]=4 138 B5R1.2 SC1COC1 CS-0048763 [1,0,0,1,0,0|1,1,0]=4 139 B5R1.3 OCC1CO1 CS-0016001 [1,0,0,1,0,0|1,0,1]=4 140 B5R1.4 N[C@@H]1C[C@@H]1F CS-0101187 [1,0,0,1,0,0|2,0,0]=4 141 B5R1.1 C1=CCNC1 CS-W016634 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.1 BrCC1=CCCC1 CS-0052832 [0,1,0,1,0,0|1,0,1]=4 143 B7R1.1 BrCC1CCCO1 CS-0052243 [0,1,0,1,0,0|1,0,1]=4 144 B7R1.1 C#CC1CCCN1 CS-0051909 [0,1,0,1,0,0|1,0,1]=4 145 B7R1.1 C#CC1CCNC1 CS-0056570 [0,1,0,1,0,0|1,0,1]=4 146 B7R1.1 CC[C@@H]1CCNC1 CS-0053328 [0,1,0,1,0,0|1,0,1]=4 147 B7R1.1 CC[C@H]1CCNC1 CS-0053268 [0,1,0,1,0,0|1,0,1]=4 148 B7R1.1 CNC1CCNC1 CS-0099966 [0,1,0,1,0,0|1,0,1]=4 149 B7R1.1 CNC1CCOC1 CS-0046706 [0,1,0,1,0,0|0,0,2]=4 150 B7R1.1 CNC1CCOC1 CS-0048784 [0,1,0,1,0,0|0,0,2]=4 151 B7R1.1 CNC1CCSC1 CS-0046714 [0,1,0,1,0,0|0,1,1]=4 152 B7R1.1 CN[C@@H]1CCNC1 CS-0035658 [0,1,0,1,0,0|1,0,1]=4 153 B7R1.1 CN[C@H]1CCOC1 CS-0053255 [0,1,0,1,0,0|0,0,2]=4 154 B7R1.1 COC1CCNC1 CS-0039937 [0,1,0,1,0,0|1,0,1]=4 155 B7R1.1 ClCC1CCCN1 CS-0106573 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.1 ClC[C@@H]1CCCN1 CS-0106569 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.1 ClC[C@H]1CCCN1 CS-0104825 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.1 FC[C@@H]1CCCN1 CS-0053450 [0,1,0,1,0,0|1,0,1]=4 159 B7R1.1 FC[C@@H]1CCNC1 CS-0085105 [0,1,0,1,0,0|1,0,1]=4 160 B7R1.1 FC[C@H]1CCCN1 CS-0053502 [0,1,0,1,0,0|1,0,1]=4 161 B7R1.1 N#CC1CCCN1 CS-0048722 [0,1,0,1,0,0|1,0,1]=4 162 B7R1.1 N#C[C@@H]1CCCN1 CS-0053430 [0,1,0,1,0,0|1,0,1]=4 163 B7R1.1 N#C[C@@H]1CCNC1 CS-0053310 [0,1,0,1,0,0|1,0,1]=4 164 B7R1.1 N#C[C@@H]1CCOC1 CS-0053250 [0,1,0,1,0,0|1,0,1]=4 165 B7R1.1 N#C[C@H]1CCCN1 CS-0102312 [0,1,0,1,0,0|1,0,1]=4 166 B7R1.1 NCC1CCOC1 CS-0048762 [0,1,0,1,0,0|0,0,2]=4 167 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [0,1,0,1,0,0|0,0,2]=4 168 B7R1.1 NNC1CCCC1 CS-D0525 [0,1,0,1,0,0|2,0,0]=4 169 B7R1.1 OCC1CCNC1 CS-0048724 [0,1,0,1,0,0|0,0,2]=4 170 B7R1.1 OC[C@@H]1CCOC1 CS-0053251 [0,1,0,1,0,0|0,0,2]=4 171 B7R1.1 OC[C@H]1CCOC1 CS-0053313 [0,1,0,1,0,0|0,0,2]=4 172 B7R1.2 CC1=CC(=O)CO1 CS-0092875 [0,1,0,1,0,0|1,0,1]=4 173 B7R1.2 CC1CCC(=O)N1 CS-0046659 [0,1,0,1,0,0|0,0,0]=2 174 B7R1.2 CC1CCC(O)C1 CS-0107204 [0,1,0,1,0,0|0,0,2]=4 175 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,1,0,1,0,0|0,0,0]=2 176 B7R1.2 C[C@@H]1CC[C@@H](C)N1 CS-0053461 [0,1,0,1,0,0|1,0,1]=4 177 B7R1.2 C[C@@H]1CC[C@@H](C)N1 CS-0111299 [0,1,0,1,0,0|1,0,1]=4 178 B7R1.2 C[C@@H]1CNC(=O)C1 CS-0053172 [0,1,0,1,0,0|1,0,0]=3 179 B7R1.2 C[C@@H]1C[C@@H](O)CN1 CS-0038437 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.2 C[C@@H]1C[C@H](O)CN1 CS-0053223 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.2 C[C@H]1CC[C@@H](C)N1 CS-0053458 [0,1,0,1,0,0|1,0,1]=4 182 B7R1.2 C[C@H]1CC[C@H](C)N1 CS-0111295 [0,1,0,1,0,0|1,0,1]=4 183 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,1,0,1,0,0|1,0,0]=3 184 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,1,0,1,0,0|1,0,0]=3 185 B7R1.2 C[C@H]1C[C@@H](O)CN1 CS-0053292 [0,1,0,1,0,0|2,0,0]=4 186 B7R1.2 C[C@H]1C[C@H](O)CN1 CS-0053220 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.2 NC1CCC(=O)N1 CS-0046591 [0,1,0,1,0,0|1,0,0]=3 188 B7R1.2 NC1CNC(=O)C1 CS-0051034 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.2 N[C@@H]1CNC(=O)C1 CS-0053173 [0,1,0,1,0,0|2,0,0]=4 190 B7R1.2 N[C@H]1CNC(=O)C1 CS-0046660 [0,1,0,1,0,0|2,0,0]=4 191 B7R1.3 CC1COCCN1 CS-0038078 [0,1,0,1,0,0|0,0,2]=4 192 B7R1.3 OC1C=CCNC1 CS-0060460 [0,1,0,1,0,0|2,0,0]=4 193 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,1,0,1,0,0|1,0,1]=4 194 B7R1.4 CC1CONC1=O CS-0068235 [0,1,0,1,0,0|1,0,0]=3 195 B7R1.4 C[C@@H]1CCNC1=O CS-0046449 [0,1,0,1,0,0|0,0,0]=2 196 B7R1.4 C[C@@H]1COC[C@H]1N CS-0047781 [0,1,0,1,0,0|0,0,2]=4 197 B7R1.4 C[C@H]1CCC[C@@H]1O CS-0036071 [0,1,0,1,0,0|0,0,2]=4 198 B7R1.4 C[C@H]1CCNC1=O CS-0046446 [0,1,0,1,0,0|0,0,0]=2 199 B7R1.4 C[C@H]1CNC[C@@H]1O CS-0035605 [0,1,0,1,0,0|0,0,2]=4 200 B7R1.4 C[C@H]1CNC[C@H]1O CS-0036375 [0,1,0,1,0,0|0,0,2]=4 201 B7R1.4 NC1CCOC1=O CS-0051531 [0,1,0,1,0,0|1,0,0]=3 202 B7R1.4 N[C@@H]1CCNC1=O CS-0109572 [0,1,0,1,0,0|1,0,0]=3 203 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,1,0,1,0,0|1,0,0]=3 204 B7R1.6 C=CCC1CNC1 CS-0051668 [0,1,0,1,0,0|2,0,0]=4 205 B7R1.6 CCNC1COC1 CS-0045508 [0,1,0,1,0,0|0,0,2]=4 206 B7R1.6 CNCC1COC1 CS-0048871 [0,1,0,1,0,0|0,0,2]=4 207 B7R1.6 COCC1CCN1 CS-0052226 [0,1,0,1,0,0|2,0,0]=4 208 B7R1.6 COCC1CNC1 CS-0051676 [0,1,0,1,0,0|1,0,1]=4 209 B7R1.6 COC[C@@H]1CCN1 CS-0052225 [0,1,0,1,0,0|2,0,0]=4 210 B7R1.6 COC[C@@H]1CCN1 CS-0053449 [0,1,0,1,0,0|2,0,0]=4 211 B7R1.6 COC[C@H]1CCN1 CS-0053501 [0,1,0,1,0,0|2,0,0]=4 212 B7R1.6 NCCC1CCO1 CS-0052220 [0,1,0,1,0,0|2,0,0]=4 213 B7R1.6 NNCC1CCC1 CS-0049633 [0,1,0,1,0,0|1,0,1]=4 214 B7R1.6 OCCC1CCN1 CS-0104824 [0,1,0,1,0,0|2,0,0]=4 215 B7R1.6 OCCC1CCO1 CS-0052219 [0,1,0,1,0,0|2,0,0]=4 216 B7R1.6 OCCC1CNC1 CS-0052250 [0,1,0,1,0,0|1,0,1]=4 217 B7R1.6 OCCC1COC1 CS-0052216 [0,1,0,1,0,0|0,0,2]=4 218 B7R1.6 OCC[C@H]1CCO1 CS-0057152 [0,1,0,1,0,0|2,0,0]=4 219 B7R1.8 CN1CC[C@H]1CN CS-0053064 [0,1,0,1,0,0|1,0,1]=4 220 B7R1.8 O=C1CCC1CO CS-0045469 [0,1,0,1,0,0|0,0,0]=2 221 B7R1.8 O=C1NCC1CO CS-0046606 [0,1,0,1,0,0|1,0,0]=3 222 B7R1.8 OCC1CCC1F CS-0045492 [0,1,0,1,0,0|0,0,2]=4 223 B7R1.9 C#CC1CC1CO CS-0067820 [0,1,0,1,0,0|1,0,1]=4 224 B7R1.9 OC[C@H]1C[C@H]1CO CS-0053077 [0,1,0,1,0,0|0,0,2]=4 225 B7R1.10 CN1CC(CN)C1 CS-0053644 [0,1,0,1,0,0|1,0,1]=4 226 B7R1.10 CNC1CC(O)C1 CS-0051674 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.10 CNC1CN(C)C1 CS-0048839 [0,1,0,1,0,0|2,0,0]=4 228 B7R1.10 CN[C@H]1C[C@H](O)C1 CS-0047809 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.10 COC1CC(=O)N1 CS-0046571 [0,1,0,1,0,0|1,0,0]=3 230 B7R1.10 COC1CC(Br)C1 CS-0077320 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.10 COC1CC(N)C1 CS-0051290 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.10 CO[C@H]1C[C@@H](N)C1 CS-0049700 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.10 N#CC1CC(N)C1 CS-0102277 [0,1,0,1,0,0|1,0,1]=4 234 B7R1.10 N#CC1CC(O)C1 CS-0051336 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.10 N#C[C@H]1C[C@H](N)C1 CS-0047793 [0,1,0,1,0,0|1,0,1]=4 236 B7R1.10 NC1CC(CO)C1 CS-0053387 [0,1,0,1,0,0|0,0,2]=4 237 B7R1.10 NCC1CC(O)C1 CS-0051730 [0,1,0,1,0,0|1,0,1]=4 238 B7R1.10 NC[C@H]1C[C@@H](F)C1 CS-0057386 [0,1,0,1,0,0|1,0,1]=4 239 B7R1.10 NC[C@H]1C[C@@H](O)C1 CS-0021312 [0,1,0,1,0,0|1,0,1]=4 240 B7R1.10 NC[C@H]1C[C@H](O)C1 CS-0047821 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.10 N[C@H]1C[C@@H](CO)C1 CS-0049714 [0,1,0,1,0,0|0,0,2]=4 242 B7R1.10 N[C@H]1C[C@H](CO)C1 CS-0045535 [0,1,0,1,0,0|0,0,2]=4 243 B7R1.10 O=C1CC(CBr)C1 CS-0043859 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.10 O=C1CC(CCl)C1 CS-0054362 [0,1,0,1,0,0|1,0,0]=3 245 B7R1.10 O=C1CC(CO)N1 CS-0051147 [0,1,0,1,0,0|1,0,0]=3 246 B7R1.10 OCC1CC(F)C1 CS-0053367 [0,1,0,1,0,0|0,0,2]=4 247 B7R1.21 CC1(CCO)CC1 CS-0088475 [0,1,0,1,0,0|0,0,2]=4 248 B7R1.22 O=CC(=O)C1CC1 CS-0089046 [0,1,0,1,0,0|1,0,1]=4 249 B7R1.25 C=CC1(O)COC1 CS-B1109 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.25 CC1(C#N)CNC1 CS-0038571 [0,1,0,1,0,0|1,0,1]=4 251 B7R1.25 CC1(C#N)COC1 CS-0051245 [0,1,0,1,0,0|1,0,1]=4 252 B7R1.25 CC1(CCl)COC1 CS-0051705 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.25 CC1(CI)COC1 CS-0051679 [0,1,0,1,0,0|1,0,1]=4 254 B7R1.25 CC1(CN)CCC1 CS-0045540 [0,1,0,1,0,0|1,0,1]=4 255 B7R1.25 CC1(CN)CNC1 CS-0053359 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.25 CC1(CO)CNC1 CS-0053358 [0,1,0,1,0,0|0,0,2]=4 257 B7R1.25 CC1(CO)CSC1 CS-0091512 [0,1,0,1,0,0|0,0,2]=4 258 B7R1.25 CCC1(F)CNC1 CS-0106613 [0,1,0,1,0,0|1,0,1]=4 259 B7R1.25 CCC1(O)CNC1 CS-0051380 [0,1,0,1,0,0|1,0,1]=4 260 B7R1.25 CNC1(C)COC1 CS-0045413 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.25 N#CC1(N)CCC1 CS-0089764 [0,1,0,1,0,0|1,0,1]=4 262 B7R1.25 N#CC1(O)CCC1 CS-0039879 [0,1,0,1,0,0|1,0,1]=4 263 B7R1.25 NCC1(F)CCC1 CS-0046396 [0,1,0,1,0,0|1,0,1]=4 264 B7R1.25 NCC1(F)CCC1 CS-0053659 [0,1,0,1,0,0|1,0,1]=4 265 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O CS-0055686 [0,1,0,1,0,0|0,0,0]=2 266 B7R1.12 C[C@@H]1C[C@H]1C(=O)O CS-0047824 [0,1,0,1,0,0|0,0,0]=2 267 B7R1.12 C[C@H]1C[C@@H]1C(=O)O CS-0089165 [0,1,0,1,0,0|0,0,0]=2 268 B7R1.12 NC1CC1C(=O)O CS-0067815 [0,1,0,1,0,0|1,0,0]=3 269 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-0058705 [0,1,0,1,0,0|1,0,0]=3 270 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS-0053630 [0,1,0,1,0,0|1,0,0]=3 271 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [0,1,0,1,0,0|0,0,0]=2 272 B7R1.17 CC1(C)CCC1=O CS-0045495 [0,1,0,1,0,0|0,0,0]=2 273 B7R1.17 CC1(C)CNC1=O CS-0046668 [0,1,0,1,0,0|1,0,0]=3 274 B7R1.18 CC(=O)C1CNC1 CS-0102262 [0,1,0,1,0,0|1,0,0]=3 275 B7R1.18 CC(N)C1COC1 CS-0052814 [0,1,0,1,0,0|0,0,2]=4 276 B7R1.18 CC(N)C1COC1 CS-0104576 [0,1,0,1,0,0|0,0,2]=4 277 B7R1.18 CC(O)C1CNC1 CS-0052852 [0,1,0,1,0,0|1,0,1]=4 278 B7R1.18 CC(O)C1COC1 CS-0056972 [0,1,0,1,0,0|0,0,2]=4 279 B7R1.18 N=C(N)C1CCC1 CS-0049636 [0,1,0,1,0,0|1,0,0]=3 280 B7R1.18 NC(=O)N1CCC1 CS-0112069 [0,1,0,1,0,0|1,0,0]=3 281 B7R1.18 O=C(O)C1CSC1 CS-0045516 [0,1,0,1,0,0|1,0,0]=3 282 B7R1.19 C[C@@]1(C(=O)O)CO1 CS-0088426 [0,1,0,1,0,0|1,0,0]=3 283 B7R1.19 C[C@]1(C(=O)O)CO1 CS-0088424 [0,1,0,1,0,0|1,0,0]=3 284 B7R1.19 NC(=O)C1(N)CC1 CS-0052639 [0,1,0,1,0,0|1,0,0]=3 285 B7R1.19 NC(=O)C1(O)CC1 CS-0081496 [0,1,0,1,0,0|1,0,0]=3 286 B7R1.14 CC1(C)CCNC1 CS-0051614 [0,1,0,1,0,0|1,0,1]=4 287 B7R1.14 CC1(F)CCNC1 CS-0051362 [0,1,0,1,0,0|1,0,1]=4 288 B7R1.14 CC1(N)CCOC1 CS-0051244 [0,1,0,1,0,0|0,0,2]=4 289 B7R1.14 C[C@@]1(O)CCNC1 CS-0053323 [0,1,0,1,0,0|1,0,1]=4 290 B7R1.14 C[C@]1(O)CCNC1 CS-0053259 [0,1,0,1,0,0|1,0,1]=4 291 B7R1.14 C[C@]1(O)CCNC1 CS-0053260 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.29 BrCC1(CBr)CC1 CS-0088398 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.29 C#CC1(CO)CC1 CS-0053660 [0,1,0,1,0,0|1,0,1]=4 294 B7R1.29 CNC1(CO)CC1 CS-0109785 [0,1,0,1,0,0|0,0,2]=4 295 B7R1.29 COC1(C#N)CC1 CS-0081454 [0,1,0,1,0,0|1,0,1]=4 296 B7R1.29 COC1(C=O)CC1 CS-0081485 [0,1,0,1,0,0|0,0,0]=2 297 B7R1.29 COC1(CN)CC1 CS-0046401 [0,1,0,1,0,0|1,0,1]=4 298 B7R1.29 COC1(CN)CC1 CS-0085230 [0,1,0,1,0,0|1,0,1]=4 299 B7R1.29 NCC1(CBr)CC1 CS-0052686 [0,1,0,1,0,0|1,0,1]=4 300 B7R2.11 C1NC2CC1C2 CS-0052048 [0,0,0,2,0,0|1,0,1]=4 301 B7R2.13 [C@H]12C[C@H]1CCN2 CS-0057945 [0,0,0,2,0,0|1,0,1]=4 302 B7R2.13 [C@H]12C[C@H]1CCN2 CS-0097105 [0,0,0,2,0,0|1,0,1]=4 303 B7R2.8 NC1C2CC1C2 CS-0055578 [0,0,0,2,0,0|1,0,1]=4 304 B7R2.8 NC1C2CC1C2 CS-0108554 [0,0,0,2,0,0|1,0,1]=4 305 B7R2.16 C1CC12CNC2 CS-0050675 [0,0,0,2,0,0|1,0,1]=4 306 B7R2.3 NC1CC12CC2 CS-0067340 [0,0,0,2,0,0|1,0,1]=4