0 B7R0.3 COC(=O)CCCBr CS-W004701 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.3 COC(=O)CCCCl CS-0001466 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.1 CC#CC(=O)OC CS-0066219 [1,0,0,0,0,0|0,0,2]=3 3 B6R0.1 CCCC(Cl)CC CS-0102884 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.1 CCOC(=O)C#N CS-0022374 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 CCOC(=O)CO CS-W019892 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 CNC(=O)CC#N CS-W018827 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 COC(=O)C#CBr CS-0043861 [1,0,0,0,0,0|1,0,2]=4 8 B6R0.1 COC(=O)CCBr CS-W008728 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.1 COC(=O)\C=C\I CS-0042162 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.4 C#CCCC(=O)O CS-W008784 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.4 C=CCCC(=O)O CS-W009138 [1,0,0,0,0,0|0,0,2]=3 12 B6R0.4 CC(=O)NCCN CS-W013694 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 CC(=O)NCCO CS-W013689 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.4 CC(C)CCCO CS-W007511 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 CCOCC(=O)O CS-0071579 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.4 CNCCC(C)C CS-W018343 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CNCCN(C)C CS-W022914 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.4 N#CCCC(=O)O CS-W018565 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.4 O=C(O)CCCBr CS-W016047 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.1 CCOC(=O)CCC#N CS-0094471 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.3 CCC[C@@H](N)C(=O)OC CS-M2701 [0,1,0,0,0,0|0,0,0]=1 26 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,1,0,0,0,0|0,0,0]=1 28 B8R0.6 COC(=O)CCCCN CS-0018002 [0,1,0,0,0,0|0,0,0]=1 29 B8R0.6 COCCCC(=O)OC CS-W011093 [0,1,0,0,0,0|0,0,0]=1 30 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [0,1,0,0,0,0|1,0,1]=3 31 B8R0.19 CN\C(C)=C\C(=O)OC CS-M1728 [0,1,0,0,0,0|1,0,2]=4 32 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [0,0,0,1,0,0|0,0,2]=3 33 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.1 O=C1CCC(CBr)O1 CS-M2142 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.2 COC1CCNCC1 CS-0040128 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.2 COC1CCNCC1 CS-W005038 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.3 CC1CCC(O)CC1 CS-0059254 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.5 CC1=NCCCN1C CS-W021273 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.5 CC1CNCCC1=O CS-D0046 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.5 CC1NCCNC1=O CS-0046850 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.5 O=C1NCCCC1O CS-W008630 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [0,0,0,1,0,0|2,0,1]=4 49 B5R0.1 CC#CC(=O)O CS-W007936 [2,0,0,0,0,0|0,0,2]=4 50 B5R0.1 CC(=O)CC#N CS-W020196 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 CC(=O)CCCl CS-W022162 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.1 CCCB(O)O CS-W007470 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.1 CNCC(=O)O CS-W013507 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 COCC(=O)O CS-W020123 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 N=C(O)CCN CS-W007497 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.2 C=CCCCBr CS-W018483 [2,0,0,0,0,0|1,0,1]=4 57 B5R0.2 CNCCNC CS-0020009 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.2 COCCCBr CS-W010945 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.2 COCCCO CS-W020636 [2,0,0,0,0,0|1,0,0]=3 60 B7R0.2 COC(=O)CC(=O)O CS-W007829 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.2 COC(=O)CC(=O)[O-] CS-M3561 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [1,1,0,0,0,0|0,0,0]=2 63 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.7 CC#CC(=O)OCC CS-W009547 [1,1,0,0,0,0|0,0,2]=4 65 B7R0.7 CCOC(=O)CCBr CS-W007449 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.7 CCOC(=O)CNC CS-W020595 [1,1,0,0,0,0|1,0,0]=3 67 B7R0.10 C=C(CBr)C(=O)OC CS-W017298 [1,1,0,0,0,0|1,0,1]=4 68 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [1,1,0,0,0,0|0,0,0]=2 69 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.10 COC(=O)C(Cl)CCl CS-W017982 [1,1,0,0,0,0|1,0,0]=3 71 B7R0.10 COC(=O)C(N)CO CS-W014338 [1,1,0,0,0,0|1,0,0]=3 72 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [1,1,0,0,0,0|1,0,0]=3 73 B7R0.10 COC(=O)[C@H](N)CS CS-W020211 [1,1,0,0,0,0|1,0,0]=3 74 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,1,0,0,0,0|0,0,1]=3 76 B7R0.4 C#CCOCC(=O)O CS-0070099 [1,1,0,0,0,0|0,0,2]=4 77 B7R0.4 CC(=O)OCCCCl CS-W017752 [1,1,0,0,0,0|1,0,0]=3 78 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [1,1,0,0,0,0|0,0,2]=4 79 B7R0.4 COC\C=C\C(=O)O CS-0100437 [1,1,0,0,0,0|0,0,2]=4 80 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,1,0,0,0,0|0,0,0]=2 81 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,1,0,0,0,0|0,0,0]=2 82 B7R0.4 O=C([O-])CCCCO CS-0047732 [1,1,0,0,0,0|0,0,1]=3 83 B7R0.6 CC(=O)NNC(C)C CS-M2559 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.8 CS(=O)(=O)CCCO CS-W004952 [1,1,0,0,0,0|2,0,0]=4 85 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,2,0,0,0,0|0,0,0]=2 86 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,2,0,0,0,0|0,0,1]=3 87 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [0,2,0,0,0,0|1,0,1]=4 88 B9R0.34 COCC(=O)CC(=O)OC CS-W007767 [0,2,0,0,0,0|0,0,1]=3 89 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,2,0,0,0,0|0,0,1]=3 90 B9R0.23 [C@@H](N)(CC(C)C)C(=O)OC CS-W017141 [0,2,0,0,0,0|0,0,0]=2 91 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,2,0,0,0,0|0,0,0]=2 92 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,2,0,0,0,0|0,0,0]=2 93 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CS-0059140 [0,2,0,0,0,0|1,0,1]=4 94 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.2 O=C1CC(O)CN1 CS-W018808 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.3 O=C1CCNCC1 CS-W018762 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.3 O=C1CCNCC1 CS-W020094 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.3 O=C1COCCN1 CS-D1427 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.3 O=C1COCCO1 CS-0031423 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.3 O=C1CSCCN1 CS-W019146 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS-M3337 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.12 O=C(O)[C@@H]1C[C@H]1F CS-W000621 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.18 NC(=O)C1CCC1 CS-D0904 [1,0,0,1,0,0|1,0,0]=3 107 B7R1.18 O=C(O)C1CCC1 CS-W011325 [1,0,0,1,0,0|0,0,0]=2 108 B9R1.7 O=S1OCC(CCCl)O1 CS-M1076 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.73 CCOC(=N)C1CCC1 CS-B1686 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.73 CCOC(=O)C1CCC1 CS-D1706 [0,1,0,1,0,0|0,0,0]=2 112 B9R1.5 NC1CCCCNC1=O CS-M1433 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.11 CNC(=O)[C@@H]1CCCN1 CS-WAA0154 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.11 COC(=O)C1=CCCC1 CS-D0999 [0,1,0,1,0,0|0,0,1]=3 115 B9R1.11 COC(=O)C1CCCN1 CS-W004744 [0,1,0,1,0,0|0,0,0]=2 116 B9R1.11 COC(=O)[C@@H]1CCCN1 CS-M0706 [0,1,0,1,0,0|0,0,0]=2 117 B9R1.11 [C@H]1(C(=O)OC)CCCN1 CS-W010818 [0,1,0,1,0,0|0,0,0]=2 118 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 CS-W022617 [0,1,0,1,0,0|0,0,0]=2 119 B9R1.1 CCC1CCC(=O)CC1 CS-W011153 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.1 N#CC1CCC(=O)CC1 CS-D0281 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.21 COC1CCC(OC)O1 CS-W020517 [0,1,0,1,0,0|0,0,2]=4 122 B9R1.40 CC1(C)CCCOC1=O CS-0097007 [0,1,0,1,0,0|2,0,0]=4