0 B8R0.7 C=CCCCCC(=O)O CS-0097711 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.7 CC(C)NCCCCO CS-M3069 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.7 COCCOCC(=O)O CS-0084611 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.7 N=C(N)NCCCCN CS-0058963 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.7 O=C(O)CCCCCCl CS-W018132 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.1 C=CCCCCCBr CS-W009270 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.1 ClCCCCCCBr CS-W010503 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.4 CC(=O)OCCCCl CS-W017752 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.4 O=C([O-])CCCCO CS-0047732 [1,0,0,0,0,0|2,0,0]=3 12 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,1,0,0,0,0|1,0,1]=3 13 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,1,0,0,0,0|1,0,0]=2 14 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.2 CN1CCCC(CN)C1 CS-B1372 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.2 CN1CCC[C@H](CO)C1 CS-B0136 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.6 CC(=O)C1CCCCC1 CS-W007597 [0,0,0,1,0,0|0,0,0]=1 18 B9R1.6 CC(=O)C1CCOCC1 CS-D1226 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.6 CC(=O)N1CCNCC1 CS-W007382 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.6 N=C(O)C1CCNCC1 CS-W013464 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.6 O=C(O)C1CC=CCC1 CS-W011160 [0,0,0,1,0,0|1,0,2]=4 22 B9R1.6 O=C(O)C1CCCNC1 CS-W020556 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.6 O=C(O)C1CCNCC1 CS-D1472 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.6 O=C(O)C1COCCN1 CS-W001894 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.6 O=C(O)N1CCCCC1 CS-0084306 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.6 O=C(O)[C@@H]1CCCCN1 CS-0097749 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.6 O=C(O)[C@@H]1CNCCN1 CS-B0619 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.6 O=C(O)[C@@H]1CNCCO1 CS-0031402 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.6 O=C(O)[C@@H]1COCCN1 CS-0043806 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.6 O=C(O)[C@H]1CCCNC1 CS-0043826 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.6 O=C(O)[C@H]1CNCCN1 CS-D1376 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.6 O=C(O)[C@H]1CNCCO1 CS-0102851 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.6 O=C(O)[C@H]1COCCN1 CS-0053321 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.6 OB(O)C1CCCCC1 CS-W007574 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.13 O=C(O)C[C@H]1CCCN1 CS-0031343 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-W001913 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.41 CN1CCC[C@H]1C(=O)O CS-B1517 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,0,0,1,0,0|1,0,0]=2 39 B6R0.6 BrCCCCCBr CS-W019956 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.6 C=CCCCCO CS-W013711 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.6 OCCCCCO CS-W020635 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.4 CC(=O)NCCN CS-W013694 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.4 CC(=O)NCCO CS-W013689 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.1 CCCC[C@H](N)CCO CS-0063111 [1,1,0,0,0,0|0,0,2]=4 47 B8R0.4 BrCCCCCCCBr CS-W010166 [1,1,0,0,0,0|1,0,1]=4 48 B8R0.4 OCCCCCCCBr CS-W008425 [1,1,0,0,0,0|0,0,2]=4 49 B8R0.21 CCCCOS(C)(=O)=O CS-W018582 [1,1,0,0,0,0|2,0,0]=4 50 B10R0.3 CCOC(=O)CCCC(C)=O CS-W010896 [0,2,0,0,0,0|0,0,1]=3 51 B10R0.4 NCCOCCOCC(=O)O CS-0097751 [0,2,0,0,0,0|2,0,0]=4 52 B10R0.55 COC(=O)CCCCC(=O)O CS-W017938 [0,2,0,0,0,0|1,0,1]=4 53 B10R0.75 [C@H](N)(CCCCCC)C(=O)O CS-W006364 [0,2,0,0,0,0|1,0,0]=3 54 B10R0.97 CC(=O)CCCCCC(=O)O CS-0046839 [0,2,0,0,0,0|0,0,1]=3 55 B10R0.1 CCOC(=O)CCCCCO CS-W023138 [0,2,0,0,0,0|1,0,0]=3 56 B8R1.2 C#CC1CCCCC1 CS-W022720 [1,0,0,1,0,0|0,0,2]=4 57 B8R1.2 CCC1CNCCN1 CS-D0270 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.2 CC[C@@H]1CNCCN1 CS-M3408 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.2 COC1CCNCC1 CS-0040128 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.2 COC1CCNCC1 CS-W005038 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.2 NCC1CCCCC1 CS-0015361 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.2 NNC1CCCCC1 CS-W007595 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.2 O=CC1CCOCC1 CS-D1228 [1,0,0,1,0,0|1,0,0]=3 65 B8R1.2 OCC1CCCCC1 CS-W011242 [1,0,0,1,0,0|0,0,2]=4 66 B8R1.5 CC1=NCCCN1C CS-W021273 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.5 CC1CNCCC1=O CS-D0046 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.5 CC1NCCNC1=O CS-0046850 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.5 O=C1NCCCC1O CS-W008630 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.11 CN1CCC[C@H]1CO CS-0030792 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.11 N#CC1CCCC1=O CS-W005103 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.1 O=C1CCC(CBr)O1 CS-M2142 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [1,0,0,1,0,0|1,0,0]=3 79 B8R1.72 CC1(N)CCCCC1 CS-0037804 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.72 CC1(O)CCCCC1 CS-W013634 [1,0,0,1,0,0|0,0,2]=4 81 B10R1.13 CC(=O)C1CCN(C)CC1 CS-0042169 [0,1,0,1,0,0|1,0,0]=3 82 B10R1.13 CC(=O)N1CCC(=O)CC1 CS-W018303 [0,1,0,1,0,0|1,0,1]=4 83 B10R1.13 CC(=O)N1CCC(N)CC1 CS-W008618 [0,1,0,1,0,0|1,0,0]=3 84 B10R1.13 CC1CCC(C(=O)O)CC1 CS-0096911 [0,1,0,1,0,0|1,0,0]=3 85 B10R1.13 CN(C)C1CCC(N)CC1 CS-W022915 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.13 NC(=O)C1CCC(=O)CC1 CS-W022230 [0,1,0,1,0,0|1,0,1]=4 87 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 CS-W007250 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.485 CC1(C#N)CCCC(=O)C1 CS-D1237 [0,1,0,1,0,0|1,0,1]=4 89 B10R1.18 O=C(O)CC1CCCCC1 CS-W019439 [0,1,0,1,0,0|1,0,0]=3 90 B10R1.18 O=C(O)CN1CCOCC1 CS-M2890 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N CS-W018664 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.66 O=C(O)CCC1CCCC1 CS-W018280 [0,1,0,1,0,0|1,0,0]=3 93 B10R1.66 O=C(O)CCN1CCCC1 CS-0035766 [0,1,0,1,0,0|1,0,0]=3 94 B10R1.78 O=C1CCCCCCCN1 CS-0090258 [0,1,0,1,0,0|0,0,0]=2 95 B10R1.15 COC(=O)C1CCCCC1 CS-W007704 [0,1,0,1,0,0|0,0,0]=2 96 B10R1.15 COC(=O)C1CCCCN1 CS-0043132 [0,1,0,1,0,0|1,0,0]=3 97 B10R1.15 COC(=O)C1CCCNC1 CS-0042814 [0,1,0,1,0,0|1,0,0]=3 98 B10R1.15 COC(=O)C1CCNCC1 CS-W016419 [0,1,0,1,0,0|1,0,0]=3 99 B10R1.15 COC(=O)C1CNCCN1 CS-0094441 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.15 COC(=O)C1COCCN1 CS-D1697 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.15 COC(=O)[C@@H]1CCCNC1 CS-0040391 [0,1,0,1,0,0|1,0,0]=3 102 B10R1.15 COC(=O)[C@H]1CCCCN1 CS-D1721 [0,1,0,1,0,0|1,0,0]=3 103 B10R1.15 COC(=O)[C@H]1COCCN1 CS-0109445 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.15 O=C(CBr)C1CCOCC1 CS-0045281 [0,1,0,1,0,0|1,0,0]=3 105 B10R1.15 O=C(CCl)N1CCOCC1 CS-W021985 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.15 [C@@H]1(C(=O)OC)COCCN1 CS-0044006 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.27 O=C(CCl)NC1CCCC1 CS-B1572 [0,1,0,1,0,0|1,0,0]=3 108 B10R1.113 NC1CCCC(C(=O)O)C1 CS-W016417 [0,1,0,1,0,0|1,0,0]=3 109 B10R1.204 N[C@@H](CC1CCC1)C(=O)O CS-D0035 [0,1,0,1,0,0|1,0,0]=3 110 B10R1.363 NC1(C(=O)O)CCCCC1 CS-W016418 [0,1,0,1,0,0|1,0,0]=3 111 B10R1.363 NC1(C(=O)O)CCNCC1 CS-W020662 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.363 O=C(O)C1(F)CCOCC1 CS-0035985 [0,1,0,1,0,0|2,0,0]=4 113 B10R2.62 O=C1CN2CCC1CC2 CS-B0309 [0,0,0,2,0,0|1,0,0]=3