0 B6R0.1 CCCC(Cl)CC CS-0102884 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 CCOC(=O)CO CS-W019892 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 CCO\C(O)=N\N CS-W008412 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 COC(=O)CCBr CS-W008728 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 N#CC[C@H](O)CCl CS-0096879 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 OCCC(O)CO CS-0008443 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CC(=O)CCCl CS-W022162 [1,0,0,0,0,0|1,0,2]=4 8 B5R0.1 CCCB(O)O CS-W007470 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 CNCC(=O)O CS-W013507 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 COCC(=O)O CS-W020123 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 COC[C@H](C)O CS-0031378 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 N=C(O)CCN CS-W007497 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 C#CCCCO CS-W011358 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.2 C=CCCCBr CS-W018483 [1,0,0,0,0,0|1,0,2]=4 16 B5R0.2 CNCCNC CS-0020009 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.2 COCCCBr CS-W010945 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.2 COCCCO CS-W020636 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 ClCCCCI CS-W019348 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.2 NCCCCBr CS-W005399 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.2 NCCCCF CS-0098954 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.3 CC(CO)CO CS-0021060 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.3 CCC(Br)CC CS-0015742 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.3 CC[C@H](O)CO CS-0031373 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.3 COC(C)CO CS-W011348 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.3 NCC(O)CN CS-W007600 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.3 NC[C@H](O)CCl CS-W021152 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.3 OC[C@@H](O)CCl CS-W018500 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.3 [C@H](O)(CN)CO CS-W017771 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.3 [C@H](O)(CO)CCl CS-W011275 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.2 [C@@H](N)(CO)CC(C)C CS-W016592 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,1,0,0,0,0|1,0,2]=4 34 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.3 COC(=O)CCCBr CS-W004701 [0,1,0,0,0,0|1,0,2]=4 36 B7R0.3 COC(=O)CCCCl CS-0001466 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,1,0,0,0,0|1,0,2]=4 39 B7R0.7 CCOC(=O)CNC CS-W020595 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.10 [C@H](C)(CC)[C@H](N)CO CS-W016591 [0,1,0,0,0,0|2,0,0]=3 42 B7R1.1 BrCC1CCCC1 CS-W004985 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.1 BrCC1OCCO1 CS-W021428 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.1 [C@@H]1(CN)CCCO1 CS-W011316 [0,0,0,1,0,0|1,0,0]=2 49 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,0,0,1,0,0|1,0,0]=2 50 B7R1.2 CN1CCC(O)C1 CS-M2838 [0,0,0,1,0,0|1,0,0]=2 51 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.3 BrC1CCNCC1 CS-W014130 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.3 CC1CNCCO1 CS-D1584 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.3 CC1COCCN1 CS-W009058 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.3 CC1SCCCS1 CS-0094743 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.3 ClC1CCOCC1 CS-W016579 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.3 NC1CCCOC1 CS-0044162 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.3 NC1CCOCC1 CS-B0654 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.3 NC1CCOCC1 CS-W002372 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.3 NN1CCCCC1 CS-W007639 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.3 N[C@H]1CCCNC1 CS-W020063 [0,0,0,1,0,0|2,0,0]=3 64 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.3 O=C1CCNCC1 CS-W018762 [0,0,0,1,0,0|1,0,2]=4 66 B7R1.3 O=C1CCNCC1 CS-W020094 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.3 OC1CCCNC1 CS-W013706 [0,0,0,1,0,0|1,0,0]=2 68 B7R1.3 OC1CCNCC1 CS-W004328 [0,0,0,1,0,0|1,0,0]=2 69 B7R1.3 OC1CCSCC1 CS-D1275 [0,0,0,1,0,0|1,0,0]=2 70 B7R1.3 OC1CNCCO1 CS-W006148 [0,0,0,1,0,0|2,0,0]=3 71 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,0,0,1,0,0|1,0,0]=2 72 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.4 N[C@@H]1CNC[C@H]1F CS-0094714 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,0,0,1,0,0|1,0,0]=2 76 B7R1.4 O=C1NCCC1O CS-W005201 [0,0,0,1,0,0|2,0,1]=4 77 B7R1.4 O=C1OCCC1O CS-W013699 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,0,0,1,0,0|1,0,0]=2 79 B7R1.25 CC1(CN)COC1 CS-W008726 [0,0,0,1,0,0|3,0,0]=4 80 B7R1.25 CC1(CO)COC1 CS-W007726 [0,0,0,1,0,0|3,0,0]=4 81 B7R1.27 CCC1(C)ON1C CS-M0762 [0,0,0,1,0,0|3,0,0]=4 82 B4R0.1 C#C[C@@H](C)O CS-0094046 [2,0,0,0,0,0|0,0,2]=4 83 B4R0.1 CC(N)CF CS-0107816 [2,0,0,0,0,0|2,0,0]=4 84 B4R0.1 C[C@@H](O)CO CS-W020032 [2,0,0,0,0,0|1,0,0]=3 85 B4R0.1 C[C@H](N)CO CS-B1303 [2,0,0,0,0,0|2,0,0]=4 86 B4R0.1 C[C@H](O)CN CS-W019029 [2,0,0,0,0,0|1,0,0]=3 87 B4R0.1 C[C@H](O)CO CS-0011520 [2,0,0,0,0,0|1,0,0]=3 88 B4R0.1 [C@@H](C)(N)CN CS-W008537 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.1 [C@H](C)(O)CCl CS-W005784 [2,0,0,0,0,0|1,0,0]=3 90 B4R0.2 CC#CCO CS-B1382 [2,0,0,0,0,0|0,0,2]=4 91 B4R0.2 CNCCBr CS-0042068 [2,0,0,0,0,0|2,0,0]=4 92 B4R0.2 CSCCN CS-0063136 [2,0,0,0,0,0|2,0,0]=4 93 B4R0.2 NNCCO CS-W007663 [2,0,0,0,0,0|2,0,0]=4 94 B4R0.2 NOCCO CS-W011361 [2,0,0,0,0,0|2,0,0]=4 95 B4R0.2 OCCCBr CS-W007337 [2,0,0,0,0,0|1,0,0]=3 96 B4R0.2 OCCCO CS-W018490 [2,0,0,0,0,0|1,0,0]=3 97 B6R0.2 CC(O)CC(=O)[O-] CS-W011168 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.2 C[C@H](O)C[C@H](C)O CS-0085738 [1,1,0,0,0,0|0,0,0]=2 99 B6R0.2 [C@H](C)(O)CC(=O)[O-] CS-W016567 [1,1,0,0,0,0|1,0,1]=4 100 B6R0.3 CC(C)[C@@H](N)CO CS-D0610 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.3 CCC(N)C(=O)O CS-W011306 [1,1,0,0,0,0|1,0,1]=4 102 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.3 [C@H](C)(O)[C@H](N)CO CS-W013681 [1,1,0,0,0,0|1,0,0]=3 104 B6R0.4 CC(C)CCCO CS-W007511 [1,1,0,0,0,0|1,0,0]=3 105 B6R0.4 CCOCC(=O)O CS-0071579 [1,1,0,0,0,0|1,0,1]=4 106 B6R0.4 CNCCC(C)C CS-W018343 [1,1,0,0,0,0|1,0,0]=3 107 B6R0.4 CNCCN(C)C CS-W022914 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.4 O=C(O)CCCBr CS-W016047 [1,1,0,0,0,0|1,0,1]=4 109 B6R0.5 CC(C)(C)CCBr CS-B0401 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.5 CC(C)(C)CCN CS-0036014 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.5 CC(C)(O)CCN CS-0043489 [1,1,0,0,0,0|1,0,0]=3 112 B6R0.6 BrCCCCCBr CS-W019956 [1,1,0,0,0,0|1,0,0]=3 113 B6R0.6 BrCCOCCBr CS-W014174 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.6 C=CCCCCO CS-W013711 [1,1,0,0,0,0|0,0,2]=4 115 B6R0.6 N#CCCCCBr CS-D1429 [1,1,0,0,0,0|1,0,1]=4 116 B6R0.6 N#CCCCCCl CS-W022361 [1,1,0,0,0,0|1,0,1]=4 117 B6R0.6 OCCCCCO CS-W020635 [1,1,0,0,0,0|1,0,0]=3 118 B6R0.9 CCC(CC)NC CS-W000153 [1,1,0,0,0,0|1,0,0]=3 119 B6R0.9 COC(CN)OC CS-0015304 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.9 OCC(CO)CO CS-W005889 [1,1,0,0,0,0|2,0,0]=4 121 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [0,2,0,0,0,0|0,0,2]=4 122 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [0,2,0,0,0,0|0,0,2]=4 123 B8R0.16 COC(CC(C)=O)OC CS-0008327 [0,2,0,0,0,0|1,0,1]=4 124 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [0,2,0,0,0,0|0,0,2]=4 125 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [0,2,0,0,0,0|1,0,0]=3 126 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,2,0,0,0,0|0,0,2]=4 127 B8R0.3 CCC[C@@H](N)C(=O)OC CS-M2701 [0,2,0,0,0,0|1,0,1]=4 128 B8R0.22 CCOC(C#N)OCC CS-W013452 [0,2,0,0,0,0|2,0,0]=4 129 B8R0.20 COC(CO)C(Br)CO CS-M0794 [0,2,0,0,0,0|2,0,0]=4 130 B6R1.2 NC1CCNC1 CS-W016190 [1,0,0,1,0,0|2,0,0]=4 131 B6R1.2 OC1CCNC1 CS-W022946 [1,0,0,1,0,0|1,0,0]=3 132 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [1,0,0,1,0,0|1,0,0]=3 133 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [1,0,0,1,0,0|1,0,0]=3 134 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [1,0,0,1,0,0|1,0,0]=3 135 B6R1.2 O[C@H]1CCNC1 CS-M0906 [1,0,0,1,0,0|1,0,0]=3 136 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [1,0,0,1,0,0|2,0,0]=4 137 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [1,0,0,1,0,0|2,0,0]=4 138 B6R1.3 CNCC1CC1 CS-0045377 [1,0,0,1,0,0|2,0,0]=4 139 B6R1.3 OCC[C@H]1CO1 CS-0081472 [1,0,0,1,0,0|1,0,0]=3 140 B6R1.5 CN1CC(O)C1 CS-0041554 [1,0,0,1,0,0|1,0,0]=3 141 B6R1.11 C[C@@H](N)C1CC1 CS-0034128 [1,0,0,1,0,0|1,0,0]=3 142 B6R1.11 C[C@H](N)C1CC1 CS-0036411 [1,0,0,1,0,0|1,0,0]=3 143 B6R1.11 OB(O)C1CC1 CS-D1018 [1,0,0,1,0,0|2,0,0]=4 144 B6R1.1 C1CCNCC1 CS-W004746 [1,0,0,1,0,0|1,0,0]=3 145 B6R1.6 COC1CNC1 CS-W008894 [1,0,0,1,0,0|2,0,0]=4 146 B6R1.6 NCC1CNC1 CS-W022574 [1,0,0,1,0,0|2,0,0]=4 147 B6R1.6 NCC1COC1 CS-W008698 [1,0,0,1,0,0|2,0,0]=4 148 B6R1.6 OCC1CCO1 CS-W019194 [1,0,0,1,0,0|2,0,0]=4 149 B6R1.6 OCC1COC1 CS-W004925 [1,0,0,1,0,0|2,0,0]=4 150 B6R1.7 NC1(CO)CC1 CS-D0148 [1,0,0,1,0,0|2,0,0]=4 151 B8R1.1 O=C1CCC(CBr)O1 CS-M2142 [0,1,0,1,0,0|1,0,1]=4 152 B8R1.4 CC1CNCC(C)C1 CS-W011255 [0,1,0,1,0,0|1,0,0]=3 153 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 CS-0001868 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.40 O\C(CCl)=N/C1CC1 CS-W005640 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.2 C#CC1CCCCC1 CS-W022720 [0,1,0,1,0,0|1,0,0]=3 156 B8R1.2 CCC1CNCCN1 CS-D0270 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.2 CC[C@@H]1CNCCN1 CS-M3408 [0,1,0,1,0,0|1,0,0]=3 158 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [0,1,0,1,0,0|1,0,0]=3 159 B8R1.2 COC1CCNCC1 CS-0040128 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.2 COC1CCNCC1 CS-W005038 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.2 N#CC1CCCCN1 CS-0092627 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.2 N#CC1CCNCC1 CS-0007612 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.2 NCC1CCCCC1 CS-0015361 [0,1,0,1,0,0|1,0,0]=3 164 B8R1.2 NCC1CCCCN1 CS-W011240 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.2 NCC1CCOCC1 CS-W008973 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.2 NNC1CCCCC1 CS-W007595 [0,1,0,1,0,0|1,0,0]=3 167 B8R1.2 NNC1CCOCC1 CS-0037407 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.2 NNC1CCOCC1 CS-B0289 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.2 O=CC1CCOCC1 CS-D1228 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.2 OCC1CCC=CO1 CS-0020174 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.2 OCC1CCCCC1 CS-W011242 [0,1,0,1,0,0|0,0,0]=2 172 B8R1.2 OCC1CCCCN1 CS-W013620 [0,1,0,1,0,0|1,0,0]=3 173 B8R1.2 OCC1CCOCC1 CS-D1227 [0,1,0,1,0,0|1,0,0]=3 174 B8R1.2 OC[C@@H]1COCCN1 CS-0034507 [0,1,0,1,0,0|2,0,0]=4 175 B8R1.2 OC[C@@H]1COCCN1 CS-W018991 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [0,1,0,1,0,0|1,0,0]=3 177 B8R1.2 OC[C@H]1COCCO1 CS-0102180 [0,1,0,1,0,0|1,0,0]=3 178 B8R1.3 CC1CCC(O)CC1 CS-0059254 [0,1,0,1,0,0|0,0,0]=2 179 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,1,0,1,0,0|0,0,2]=4 180 B8R1.3 CN1CCC(O)CC1 CS-W019412 [0,1,0,1,0,0|0,0,0]=2 181 B8R1.3 CN1CCN(N)CC1 CS-0071327 [0,1,0,1,0,0|2,0,0]=4 182 B8R1.3 N[C@H]1CC[C@H](N)CC1 CS-W007732 [0,1,0,1,0,0|1,0,0]=3 183 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W019841 [0,1,0,1,0,0|0,0,0]=2 184 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [0,1,0,1,0,0|1,0,1]=4 185 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,1,0,1,0,0|1,0,1]=4 186 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,1,0,0|0,0,2]=4 187 B8R1.5 N[C@H]1CCCC[C@@H]1N CS-M0769 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [0,1,0,1,0,0|0,0,0]=2 189 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [0,1,0,1,0,0|1,0,0]=3 190 B8R1.5 O=C1NCCCC1O CS-W008630 [0,1,0,1,0,0|1,0,1]=4 191 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [0,1,0,1,0,0|0,0,0]=2 192 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [0,1,0,1,0,0|1,0,1]=4 193 B8R1.8 ClCCN1CCCC1 CS-D1148 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.11 CN1CCC[C@H]1CO CS-0030792 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.72 CC1(C)CCNCC1 CS-W005691 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.72 CC1(N)CCCCC1 CS-0037804 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.72 CC1(O)CCCCC1 CS-W013634 [0,1,0,1,0,0|0,0,0]=2 198 B8R1.72 CC1(O)CCNCC1 CS-M0531 [0,1,0,1,0,0|1,0,0]=3 199 B8R1.72 CC1(O)CCNCC1 CS-W004838 [0,1,0,1,0,0|1,0,0]=3 200 B8R1.60 CCC1(C#N)CNC1 CS-0103731 [0,1,0,1,0,0|2,0,0]=4 201 B8R2.19 NC1CCC12CC2 CS-0109007 [0,0,0,2,0,0|1,0,0]=3