0 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.6 COC(=O)CCCCN CS-0018002 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.6 COCCCC(=O)OC CS-W011093 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.3 COC(=O)CCCBr CS-W004701 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.3 COC(=O)CCCCl CS-0001466 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,0,0,0,0,0|0,0,2]=3 6 B7R0.4 C#CCOCC(=O)O CS-0070099 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 CC(=O)OCCCCl CS-W017752 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.4 COC\C=C\C(=O)O CS-0100437 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.4 O=C([O-])CCCCO CS-0047732 [1,0,0,0,0,0|1,0,1]=3 13 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,1,0,0,0,0|0,0,1]=2 14 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,1,0,0,0,0|0,0,1]=2 15 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.34 COCC(=O)CC(=O)OC CS-W007767 [0,1,0,0,0,0|1,0,1]=3 17 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,1,0,0,0,0|0,0,0]=1 18 B9R1.1 CCC1CCC(=O)CC1 CS-W011153 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.1 N#CC1CCC(=O)CC1 CS-D0281 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.5 NC1CCCCNC1=O CS-M1433 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.7 O=S1OCC(CCCl)O1 CS-M1076 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.11 CNC(=O)[C@@H]1CCCN1 CS-WAA0154 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.11 COC(=O)C1=CCCC1 CS-D0999 [0,0,0,1,0,0|0,0,2]=3 24 B9R1.11 COC(=O)C1CCCN1 CS-W004744 [0,0,0,1,0,0|1,0,0]=2 25 B9R1.11 COC(=O)[C@@H]1CCCN1 CS-M0706 [0,0,0,1,0,0|1,0,0]=2 26 B9R1.11 [C@H]1(C(=O)OC)CCCN1 CS-W010818 [0,0,0,1,0,0|1,0,0]=2 27 B9R1.21 COC1CCC(OC)O1 CS-W020517 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,0,0,1,0,0|1,0,0]=2 29 B6R0.6 C=CCCCCO CS-W013711 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.6 OCCCCCO CS-W020635 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.1 CC#CC(=O)OC CS-0066219 [2,0,0,0,0,0|0,0,2]=4 32 B6R0.1 COC(=O)CCBr CS-W008728 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.4 C#CCCC(=O)O CS-W008784 [2,0,0,0,0,0|0,0,2]=4 34 B6R0.4 C=CCCC(=O)O CS-W009138 [2,0,0,0,0,0|0,0,2]=4 35 B6R0.4 CC(=O)NCCN CS-W013694 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.4 CC(=O)NCCO CS-W013689 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.4 N#CCCC(=O)O CS-W018565 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|1,0,0]=3 40 B8R0.3 CCC[C@@H](N)C(=O)OC CS-M2701 [1,1,0,0,0,0|0,0,0]=2 41 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [1,1,0,0,0,0|0,0,2]=4 43 B8R0.21 CCCCOS(C)(=O)=O CS-W018582 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.21 NCCCCP(=O)(O)O CS-W019288 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [1,1,0,0,0,0|1,0,1]=4 46 B10R0.3 CCOC(=O)CCCC(C)=O CS-W010896 [0,2,0,0,0,0|0,0,1]=3 47 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O CS-W022740 [0,2,0,0,0,0|1,0,1]=4 48 B10R0.82 COC(=O)CC[C@H](N)C(=O)O CS-W014394 [0,2,0,0,0,0|1,0,1]=4 49 B10R0.1 CCOC(=O)CCCCCO CS-W023138 [0,2,0,0,0,0|0,0,0]=2 50 B10R0.2 CCOC(=O)C[C@H](O)CC#N CS-W002591 [0,2,0,0,0,0|1,0,1]=4 51 B10R0.19 CCOC(=O)[C@@H](N)CCCN CS-0101217 [0,2,0,0,0,0|1,0,0]=3 52 B10R0.46 [C@H](N)(CC(=O)OC)C(=O)OC CS-W010556 [0,2,0,0,0,0|1,0,1]=4 53 B10R0.46 [C@H](O)(CC(=O)OC)C(=O)OC CS-W007994 [0,2,0,0,0,0|1,0,1]=4 54 B10R0.18 C#CCCC(=O)CC(=O)OC CS-0038476 [0,2,0,0,0,0|0,0,2]=4 55 B10R0.55 COC(=O)CCCCC(=O)O CS-W017938 [0,2,0,0,0,0|0,0,1]=3 56 B8R1.2 COC1CCNCC1 CS-0040128 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.2 COC1CCNCC1 CS-W005038 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [1,0,0,1,0,0|0,0,2]=4 59 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.7 O=C(O)C1=CCCC1 CS-W005540 [1,0,0,1,0,0|0,0,2]=4 64 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [1,0,0,1,0,0|1,0,0]=3 65 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [1,0,0,1,0,0|1,0,0]=3 66 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.7 O=C(O)[C@@H]1CSCN1 CS-W013392 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.7 O=C(O)[C@H]1CSCN1 CS-0097362 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [1,0,0,1,0,0|0,0,0]=2 70 B8R1.72 CC1(N)CCCCC1 CS-0037804 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.72 CC1(O)CCCCC1 CS-W013634 [1,0,0,1,0,0|0,0,2]=4 72 B10R1.13 CC(C)C1CCC(=O)CC1 CS-W011030 [0,1,0,1,0,0|1,0,0]=3 73 B10R1.14 COC(=O)C1CCC(=O)N1 CS-D0636 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.14 COC(=O)C1CCC(N)C1 CS-W006920 [0,1,0,1,0,0|0,0,0]=2 75 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 CS-M2482 [0,1,0,1,0,0|0,0,2]=4 76 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 CS-M0623 [0,1,0,1,0,0|1,0,0]=3 77 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 CS-W017145 [0,1,0,1,0,0|1,0,0]=3 78 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CS-0097285 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 CS-M0680 [0,1,0,1,0,0|1,0,0]=3 80 B10R1.14 [C@@H]1(O)CN[C@@H](C(=O)OC)C1 CS-W006629 [0,1,0,1,0,0|1,0,0]=3 81 B10R1.11 CCOC(=O)[C@@H]1CSCN1 CS-0043107 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.11 CCOC(=O)[C@H]1CCCN1 CS-0080165 [0,1,0,1,0,0|1,0,0]=3 83 B10R1.29 CCCCN1CCCC1=O CS-W016436 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.78 O=C1CCCCCCCN1 CS-0090258 [0,1,0,1,0,0|1,0,0]=3 85 B10R1.130 CCCC1=CC(=O)OC1O CS-B0865 [0,1,0,1,0,0|0,0,2]=4 86 B10R1.135 CCOC(=O)C1CC1C#N CS-0049506 [0,1,0,1,0,0|1,0,1]=4 87 B10R1.137 CCOC(=O)CC1CCC1 CS-D0101 [0,1,0,1,0,0|0,0,0]=2 88 B10R1.15 COC(=O)C1CCCCC1 CS-W007704 [0,1,0,1,0,0|0,0,0]=2 89 B10R1.15 COC(=O)C1CCCCN1 CS-0043132 [0,1,0,1,0,0|0,0,0]=2 90 B10R1.15 COC(=O)C1CCCNC1 CS-0042814 [0,1,0,1,0,0|0,0,0]=2 91 B10R1.15 COC(=O)C1CCNCC1 CS-W016419 [0,1,0,1,0,0|0,0,0]=2 92 B10R1.15 COC(=O)C1CNCCN1 CS-0094441 [0,1,0,1,0,0|1,0,0]=3 93 B10R1.15 COC(=O)C1COCCN1 CS-D1697 [0,1,0,1,0,0|1,0,0]=3 94 B10R1.15 COC(=O)[C@@H]1CCCNC1 CS-0040391 [0,1,0,1,0,0|0,0,0]=2 95 B10R1.15 COC(=O)[C@H]1CCCCN1 CS-D1721 [0,1,0,1,0,0|0,0,0]=2 96 B10R1.15 COC(=O)[C@H]1COCCN1 CS-0109445 [0,1,0,1,0,0|1,0,0]=3 97 B10R1.15 O=C(CBr)C1CCOCC1 CS-0045281 [0,1,0,1,0,0|2,0,0]=4 98 B10R1.15 [C@@H]1(C(=O)OC)COCCN1 CS-0044006 [0,1,0,1,0,0|1,0,0]=3 99 B10R1.411 COC(=O)C1(N)CCCC1 CS-B0437 [0,1,0,1,0,0|0,0,0]=2 100 B10R1.27 O=C(CCl)NC1CCCC1 CS-B1572 [0,1,0,1,0,0|2,0,0]=4