0 B7R0.3 COC(=O)CCCBr CS-W004701 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.3 COC(=O)CCCCl CS-0001466 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.1 CC#CC(=O)OC CS-0066219 [1,0,0,0,0,0|1,0,2]=4 3 B6R0.1 CCCC(Cl)CC CS-0102884 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.1 CCC[C@H](N)CO CS-M1841 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 CCOC(=O)C#N CS-0022374 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 CCOC(=O)CO CS-W019892 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CNC(=O)CC#N CS-W018827 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 COC(=O)CCBr CS-W008728 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.4 C#CCCC(=O)O CS-W008784 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.4 C=CCCC(=O)O CS-W009138 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.4 CC(=O)NCCN CS-W013694 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 CC(=O)NCCO CS-W013689 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 CC(C)CCCO CS-W007511 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CCOCC(=O)O CS-0071579 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 CNCCC(C)C CS-W018343 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CNCCN(C)C CS-W022914 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.4 N#CCCC(=O)O CS-W018565 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 O=C(O)CCCBr CS-W016047 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.6 BrCCCCCBr CS-W019956 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.6 OCCCCCO CS-W020635 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [0,1,0,0,0,0|1,0,2]=4 23 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.1 CCOC(=O)CCC#N CS-0094471 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.3 CCC[C@@H](N)C(=O)OC CS-M2701 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.3 CCOC(=O)C(=O)CBr CS-W008597 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,1,0,0,0,0|1,0,0]=2 30 B8R0.6 COC(=O)CCCCN CS-0018002 [0,1,0,0,0,0|1,0,0]=2 31 B8R0.6 COCCCC(=O)OC CS-W011093 [0,1,0,0,0,0|1,0,0]=2 32 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [0,1,0,0,0,0|0,0,1]=2 33 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.1 O=C1CCC(CBr)O1 CS-M2142 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.2 CCC1CNCCN1 CS-D0270 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.2 CC[C@@H]1CNCCN1 CS-M3408 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.2 NCC1CCCCC1 CS-0015361 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.2 NCC1CCCCN1 CS-W011240 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.2 OCC1CCCCC1 CS-W011242 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.2 OCC1CCCCN1 CS-W013620 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.3 CC1CCC(O)CC1 CS-0059254 [0,0,0,1,0,0|0,0,2]=3 47 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.3 CN1CCC(O)CC1 CS-W019412 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.3 CN1CCN(N)CC1 CS-0071327 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.3 N[C@H]1CC[C@H](N)CC1 CS-W007732 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W019841 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.5 CC1=NCCCN1C CS-W021273 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.5 CC1CNCCC1=O CS-D0046 [0,0,0,1,0,0|1,0,0]=2 56 B8R1.5 CC1NCCNC1=O CS-0046850 [0,0,0,1,0,0|2,0,0]=3 57 B8R1.5 N[C@H]1CCCC[C@@H]1N CS-M0769 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.5 O=C1NCCCC1O CS-W008630 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [0,0,0,1,0,0|1,0,2]=4 62 B8R1.40 O\C(CCl)=N/C1CC1 CS-W005640 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [0,0,0,1,0,0|1,0,1]=3 64 B5R0.1 CC(=O)CC#N CS-W020196 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.1 CC(=O)CCCl CS-W022162 [2,0,0,0,0,0|1,0,0]=3 66 B5R0.1 CNCC(=O)O CS-W013507 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.1 COCC(=O)O CS-W020123 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.2 C=CCCCBr CS-W018483 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.2 CNCCNC CS-0020009 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.2 COCCCBr CS-W010945 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.2 COCCCO CS-W020636 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.2 ClCCCCI CS-W019348 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.2 NCCCCBr CS-W005399 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.2 NCCCCF CS-0098954 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.3 CCC(Br)CC CS-0015742 [2,0,0,0,0,0|1,0,1]=4 76 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [1,1,0,0,0,0|1,0,0]=3 77 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [1,1,0,0,0,0|1,0,0]=3 78 B7R0.7 CC#CC(=O)OCC CS-W009547 [1,1,0,0,0,0|0,0,2]=4 79 B7R0.7 CCOC(=O)CCBr CS-W007449 [1,1,0,0,0,0|1,0,0]=3 80 B7R0.7 CCOC(=O)CNC CS-W020595 [1,1,0,0,0,0|1,0,0]=3 81 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [1,1,0,0,0,0|1,0,0]=3 82 B7R0.10 COC(=O)C(Cl)CCl CS-W017982 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.10 COC(=O)C(N)CO CS-W014338 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.10 COC(=O)[C@H](N)CS CS-W020211 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.4 CC(=O)OCCCCl CS-W017752 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,1,0,0,0,0|1,0,0]=3 90 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,1,0,0,0,0|1,0,0]=3 91 B7R0.4 O=C([O-])CCCCO CS-0047732 [1,1,0,0,0,0|1,0,0]=3 92 B7R0.6 CC(=O)NNC(C)C CS-M2559 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.8 CS(=O)(=O)CCCO CS-W004952 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.1 ClCCCCCCBr CS-W010503 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.1 NCCCNCCBr CS-W022895 [1,1,0,0,0,0|2,0,0]=4 96 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,2,0,0,0,0|1,0,0]=3 97 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,2,0,0,0,0|0,0,1]=3 98 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [0,2,0,0,0,0|1,0,1]=4 99 B9R0.34 COCC(=O)CC(=O)OC CS-W007767 [0,2,0,0,0,0|1,0,1]=4 100 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,2,0,0,0,0|0,0,1]=3 101 B9R0.6 CCOC(=O)C(=O)C(C)Br CS-W006537 [0,2,0,0,0,0|1,0,1]=4 102 B9R0.23 [C@@H](N)(CC(C)C)C(=O)OC CS-W017141 [0,2,0,0,0,0|1,0,0]=3 103 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,2,0,0,0,0|1,0,0]=3 104 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,2,0,0,0,0|1,0,0]=3 105 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.2 O=C1CC(O)CN1 CS-W018808 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [1,0,0,1,0,0|1,0,1]=4 109 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.3 NN1CCCCC1 CS-W007639 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.3 O=C1CCNCC1 CS-W018762 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.3 O=C1CCNCC1 CS-W020094 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.3 O=C1COCCN1 CS-D1427 [1,0,0,1,0,0|2,0,0]=4 114 B7R1.3 O=C1COCCO1 CS-0031423 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.3 O=C1CSCCN1 CS-W019146 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.4 O=C1NCCC1O CS-W005201 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.4 O=C1OCCC1O CS-W013699 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.18 NC(=O)C1CCC1 CS-D0904 [1,0,0,1,0,0|1,0,0]=3 123 B7R1.18 O=C(O)C1CCC1 CS-W011325 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.24 C1CNCCNC1 CS-W007768 [1,0,0,1,0,0|2,0,0]=4 125 B9R1.8 ClCCN1CCCCC1 CS-B0962 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.15 CN1CCCCC1CO CS-W011116 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,1,0,1,0,0|0,0,0]=2 128 B9R1.73 CCOC(=N)C1CCC1 CS-B1686 [0,1,0,1,0,0|1,0,0]=3 129 B9R1.73 CCOC(=O)C1CCC1 CS-D1706 [0,1,0,1,0,0|0,0,0]=2 130 B9R1.5 NC1CCCCNC1=O CS-M1433 [0,1,0,1,0,0|1,0,0]=3 131 B9R1.11 CNC(=O)[C@@H]1CCCN1 CS-WAA0154 [0,1,0,1,0,0|1,0,0]=3 132 B9R1.11 COC(=O)C1=CCCC1 CS-D0999 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.11 COC(=O)C1CCCN1 CS-W004744 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.11 COC(=O)[C@@H]1CCCN1 CS-M0706 [0,1,0,1,0,0|1,0,0]=3 135 B9R1.11 [C@H]1(C(=O)OC)CCCN1 CS-W010818 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 CS-W022617 [0,1,0,1,0,0|1,0,0]=3 137 B9R1.1 CCC1CCC(=O)CC1 CS-W011153 [0,1,0,1,0,0|0,0,0]=2 138 B9R1.1 CN[C@H]1CC[C@H](O)CC1 CS-W019271 [0,1,0,1,0,0|0,0,2]=4 139 B9R1.1 N#CC1CCC(=O)CC1 CS-D0281 [0,1,0,1,0,0|0,0,1]=3 140 B9R1.1 N[C@H]1CC[C@H](CO)CC1 CS-0011345 [0,1,0,1,0,0|1,0,1]=4 141 B9R1.89 N#CC1CCCCCC1 CS-0079887 [0,1,0,1,0,0|1,0,1]=4 142 B9R1.40 CC1(C)CCCOC1=O CS-0097007 [0,1,0,1,0,0|1,0,0]=3 143 B9R1.40 CC1(C)NCCNC1=O CS-W021790 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.10 CC1(C)CCC(O)CC1 CS-W019410 [0,1,0,1,0,0|0,0,2]=4 145 B9R1.10 CC1(C)OCC(=O)CO1 CS-W006362 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.10 NC1CCS(=O)(=O)CC1 CS-D1060 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.10 O=C1CCS(=O)(=O)CC1 CS-W004862 [0,1,0,1,0,0|2,0,0]=4