0 B5R0.3 CC(CO)CO CS-0021060 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.3 CCC(=N)NO CS-D0340 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CCC(Br)CC CS-0015742 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 CC[C@H](O)CO CS-0031373 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 COC(C)CO CS-W011348 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 NCC(O)CN CS-W007600 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.3 NC[C@H](O)CCl CS-W021152 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.3 NNC(=O)CO CS-W006527 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 OC[C@@H](O)CCl CS-W018500 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.3 [C@H](O)(CN)CO CS-W017771 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 C#C[C@@H](C)O CS-0094046 [1,0,0,0,0,0|1,0,2]=4 12 B4R0.1 CC(=O)CN CS-W004850 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 CC(=O)CO CS-0017823 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 CC(C)ON CS-W008733 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 CC(N)CF CS-0107816 [1,0,0,0,0,0|1,0,0]=2 16 B4R0.1 CCC(=N)N CS-W019290 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 CCS(=O)[O-] CS-0020098 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.1 CNN(C)C CS-M2145 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 C[C@@H](O)CO CS-W020032 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 C[C@H](N)CO CS-B1303 [1,0,0,0,0,0|1,0,0]=2 21 B4R0.1 C[C@H](O)CN CS-W019029 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.1 C[C@H](O)CO CS-0011520 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 [C@@H](C)(N)CN CS-W008537 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 [C@H](C)(O)CCl CS-W005784 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 C#CCCN CS-0059198 [1,0,0,0,0,0|0,0,2]=3 26 B4R0.2 CC#CCO CS-B1382 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.2 CNCC#N CS-W002073 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 CNCCBr CS-0042068 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.2 CSCCN CS-0063136 [1,0,0,0,0,0|1,0,0]=2 30 B4R0.2 N#CCCN CS-D1507 [1,0,0,0,0,0|1,0,1]=3 31 B4R0.2 NCCON CS-M2746 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.2 NNCCO CS-W007663 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.2 NOCCO CS-W011361 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.2 OCCCBr CS-W007337 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.2 OCCCO CS-W018490 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.1 CCCC(Cl)CC CS-0102884 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.1 CCOC(=O)CO CS-W019892 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.1 CCO\C(O)=N\N CS-W008412 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 N#CC[C@H](O)CCl CS-0096879 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.1 OCCC(O)CO CS-0008443 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.3 CC(C)C(=O)NN CS-0053723 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.3 CC(C)[C@@H](N)CO CS-D0610 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.3 CCC(N)C(=O)O CS-W011306 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.3 CN(C)C(=O)CN CS-0041045 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.3 COC(=O)C(C)N CS-W011040 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.3 COC(=O)[C@H](C)N CS-W008772 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.3 [C@H](C)(N)C(=O)OC CS-W007986 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.3 [C@H](C)(O)[C@H](N)CO CS-W013681 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.9 CCC(CC)NC CS-W000153 [0,1,0,0,0,0|1,0,0]=2 55 B6R0.9 COC(CN)OC CS-0015304 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.9 OCC(CO)CO CS-W005889 [0,1,0,0,0,0|2,0,0]=3 57 B6R1.2 NC1CC=CC1 CS-W022621 [0,0,0,1,0,0|2,0,1]=4 58 B6R1.2 NC1CCNC1 CS-W016190 [0,0,0,1,0,0|1,0,0]=2 59 B6R1.2 O=C1CCOC1 CS-D1574 [0,0,0,1,0,0|2,0,1]=4 60 B6R1.2 OC1CCNC1 CS-W022946 [0,0,0,1,0,0|1,0,0]=2 61 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [0,0,0,1,0,0|1,0,0]=2 62 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [0,0,0,1,0,0|1,0,0]=2 63 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [0,0,0,1,0,0|2,0,0]=3 64 B6R1.2 O[C@H]1CCNC1 CS-M0906 [0,0,0,1,0,0|1,0,0]=2 65 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [0,0,0,1,0,0|0,0,0]=1 66 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [0,0,0,1,0,0|1,0,0]=2 67 B6R1.6 COC1CNC1 CS-W008894 [0,0,0,1,0,0|1,0,0]=2 68 B6R1.6 NCC1CNC1 CS-W022574 [0,0,0,1,0,0|1,0,0]=2 69 B6R1.6 NCC1COC1 CS-W008698 [0,0,0,1,0,0|1,0,0]=2 70 B6R1.6 OCC1CCO1 CS-W019194 [0,0,0,1,0,0|2,0,0]=3 71 B6R1.6 OCC1COC1 CS-W004925 [0,0,0,1,0,0|2,0,0]=3 72 B6R1.7 C#CC1(N)CC1 CS-B0936 [0,0,0,1,0,0|2,0,1]=4 73 B6R1.7 N#CC1(N)CC1 CS-D0921 [0,0,0,1,0,0|1,0,2]=4 74 B6R1.7 NC1(CO)CC1 CS-D0148 [0,0,0,1,0,0|2,0,0]=3 75 B3R0.1 CCON CS-0017502 [2,0,0,0,0,0|1,0,0]=3 76 B3R0.1 CNOC CS-D1361 [2,0,0,0,0,0|2,0,0]=4 77 B3R0.1 NCCBr CS-W008659 [2,0,0,0,0,0|1,0,0]=3 78 B3R0.2 CC(N)=S CS-W018499 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.1 CC(=O)CCCl CS-W022162 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.1 CCOC(=N)N CS-W019160 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.1 COC[C@H](C)O CS-0031378 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,1,0,0,0,0|0,0,0]=2 83 B5R0.4 CC(C)(C)CN CS-W019134 [1,1,0,0,0,0|0,0,0]=2 84 B5R0.4 CC(C)(C)NO CS-W022903 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.4 CC(C)(N)CN CS-0058986 [1,1,0,0,0,0|0,0,0]=2 86 B5R0.4 CC(C)(O)CCl CS-0030576 [1,1,0,0,0,0|1,0,0]=3 87 B5R0.4 CC(C)(O)CO CS-W005057 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.4 C[Si](C)(C)CI CS-0067163 [1,1,0,0,0,0|1,1,0]=4 89 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.2 C#CCCCO CS-W011358 [1,1,0,0,0,0|1,0,1]=4 91 B5R0.2 C=CCCCBr CS-W018483 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.2 CNCCNC CS-0020009 [1,1,0,0,0,0|1,0,0]=3 93 B5R0.2 COCCCBr CS-W010945 [1,1,0,0,0,0|1,0,0]=3 94 B5R0.2 COCCCO CS-W020636 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.2 ClCCCCI CS-W019348 [1,1,0,0,0,0|1,0,0]=3 96 B5R0.2 NCCCCBr CS-W005399 [1,1,0,0,0,0|0,0,0]=2 97 B5R0.2 NCCCCF CS-0098954 [1,1,0,0,0,0|0,0,0]=2 98 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.2 [C@@H](N)(CO)CC(C)C CS-W016592 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [0,2,0,0,0,0|1,0,1]=4 101 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.7 CCOC(=O)CNC CS-W020595 [0,2,0,0,0,0|1,0,1]=4 103 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,2,0,0,0,0|1,0,1]=4 104 B7R0.10 [C@H](C)(CC)[C@H](N)CO CS-W016591 [0,2,0,0,0,0|0,0,0]=2 105 B7R0.13 CCC(C)(C)C(=O)O CS-W016597 [0,2,0,0,0,0|1,0,1]=4 106 B7R0.13 CC[C@@](C)(N)C(=O)O CS-W020180 [0,2,0,0,0,0|1,0,1]=4 107 B7R0.13 CC[C@](C)(N)C(=O)O CS-W008544 [0,2,0,0,0,0|1,0,1]=4 108 B7R0.14 CC(CO)C(F)(F)F CS-W021786 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.14 NCC(O)C(F)(F)F CS-B1216 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O CS-W021072 [0,2,0,0,0,0|1,0,1]=4 111 B5R1.2 BrC1COC1 CS-D1251 [1,0,0,1,0,0|2,0,0]=4 112 B5R1.2 FC1CNC1 CS-W001606 [1,0,0,1,0,0|1,0,0]=3 113 B5R1.2 IC1COC1 CS-W017022 [1,0,0,1,0,0|2,0,0]=4 114 B5R1.2 NC1CCC1 CS-0006655 [1,0,0,1,0,0|0,0,0]=2 115 B5R1.2 NC1COC1 CS-D0204 [1,0,0,1,0,0|1,0,0]=3 116 B5R1.2 NC1COC1 CS-W018946 [1,0,0,1,0,0|1,0,0]=3 117 B5R1.2 O=C1CNC1 CS-W019264 [1,0,0,1,0,0|1,0,1]=4 118 B5R1.2 OC1CCC1 CS-W013758 [1,0,0,1,0,0|1,0,0]=3 119 B5R1.2 OC1COC1 CS-W007362 [1,0,0,1,0,0|2,0,0]=4 120 B5R1.3 BrCC1CC1 CS-W020194 [1,0,0,1,0,0|1,0,0]=3 121 B5R1.3 CNC1CC1 CS-W019814 [1,0,0,1,0,0|1,0,0]=3 122 B5R1.3 ClC[C@H]1CO1 CS-0005957 [1,0,0,1,0,0|2,0,0]=4 123 B5R1.3 [C@@H]1(CO)CO1 CS-W013757 [1,0,0,1,0,0|2,0,0]=4 124 B5R1.1 C1CSCN1 CS-M1684 [1,0,0,1,0,0|1,0,0]=3 125 B7R1.1 BrCC1CCCC1 CS-W004985 [0,1,0,1,0,0|1,0,0]=3 126 B7R1.1 BrCC1OCCO1 CS-W021428 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,1,0,1,0,0|0,0,0]=2 128 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,1,0,1,0,0|0,0,0]=2 129 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,1,0,1,0,0|1,0,0]=3 130 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,1,0,1,0,0|1,0,0]=3 131 B7R1.1 [C@@H]1(CN)CCCO1 CS-W011316 [0,1,0,1,0,0|0,0,0]=2 132 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,1,0,1,0,0|0,0,0]=2 133 B7R1.2 CN1CCC(O)C1 CS-M2838 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,1,0,1,0,0|1,0,1]=4 135 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,1,0,1,0,0|1,0,1]=4 136 B7R1.3 BrC1CCNCC1 CS-W014130 [0,1,0,1,0,0|1,0,0]=3 137 B7R1.3 CC1CNCCO1 CS-D1584 [0,1,0,1,0,0|0,0,0]=2 138 B7R1.3 CC1COCCN1 CS-W009058 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.3 CC1SCCCS1 CS-0094743 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,1,0,1,0,0|1,0,0]=3 141 B7R1.3 ClC1CCOCC1 CS-W016579 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.3 NC1CCCOC1 CS-0044162 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.3 NC1CCOCC1 CS-B0654 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.3 NC1CCOCC1 CS-W002372 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.3 N[C@H]1CCCNC1 CS-W020063 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.3 O=C1CCNCC1 CS-W018762 [0,1,0,1,0,0|1,0,1]=4 148 B7R1.3 O=C1CCNCC1 CS-W020094 [0,1,0,1,0,0|1,0,1]=4 149 B7R1.3 OC1CCCNC1 CS-W013706 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.3 OC1CCNCC1 CS-W004328 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.3 OC1CCSCC1 CS-D1275 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.3 OC1CNCCO1 CS-W006148 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,1,0,1,0,0|1,0,0]=3 154 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,1,0,1,0,0|0,0,0]=2 155 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,1,0,1,0,0|0,0,0]=2 156 B7R1.4 N[C@@H]1CNC[C@H]1F CS-0094714 [0,1,0,1,0,0|1,0,0]=3 157 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,1,0,1,0,0|1,0,0]=3 158 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,1,0,1,0,0|1,0,1]=4 159 B7R1.4 O=C1NCCC1O CS-W005201 [0,1,0,1,0,0|1,0,1]=4 160 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,1,0,1,0,0|2,0,0]=4 161 B7R1.25 CC1(CN)COC1 CS-W008726 [0,1,0,1,0,0|0,0,0]=2 162 B7R1.25 CC1(CO)COC1 CS-W007726 [0,1,0,1,0,0|1,0,0]=3 163 B7R1.27 CCC1(C)ON1C CS-M0762 [0,1,0,1,0,0|1,0,0]=3 164 B7R1.18 CN(C)C1CNC1 CS-W003613 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.18 NC(=O)C1CCC1 CS-D0904 [0,1,0,1,0,0|0,0,1]=3 166 B7R1.18 O=C(O)C1CCC1 CS-W011325 [0,1,0,1,0,0|1,0,1]=4 167 B7R1.14 CC1(O)CCNC1 CS-W021967 [0,1,0,1,0,0|0,0,0]=2 168 B7R1.29 NCC1(CO)CC1 CS-0072215 [0,1,0,1,0,0|0,0,0]=2 169 B7R2.11 C1CN2CN1C2 CS-0096563 [0,0,0,2,0,0|1,0,0]=3 170 B7R2.13 C1NCC2CC12 CS-W005878 [0,0,0,2,0,0|0,0,0]=2 171 B7R2.13 C1OCC2OC12 CS-W016680 [0,0,0,2,0,0|2,0,0]=4