0 B7R0.1 NCCCCCCO CS-W007957 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.1 NCCCOCCO CS-0036940 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 OCCCCCCBr CS-W017171 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 CC#CCCCO CS-0047308 [1,0,0,0,0,0|0,0,3]=4 4 B6R0.6 CNCCCCO CS-W006493 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.4 C=CCCCCCCI CS-0036274 [0,1,0,0,0,0|1,0,0]=2 6 B8R0.4 CCCCCCCCO CS-0076037 [0,1,0,0,0,0|0,0,2]=3 7 B8R0.7 CC(=O)NCCCON CS-B1212 [0,1,0,0,0,0|3,0,0]=4 8 B8R1.2 BrCC1CCCCC1 CS-W007517 [0,0,0,1,0,0|1,0,1]=3 9 B8R1.2 C#CC1CCCNC1 CS-0040070 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.2 CCC1CNCCO1 CS-0080681 [0,0,0,1,0,0|1,0,2]=4 11 B8R1.2 CCC1COCCN1 CS-0059261 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.2 N#CC1CCCCO1 CS-0047273 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.2 NCC1CCCNC1 CS-0028231 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.2 NNC1CCCCC1 CS-0047552 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.2 NNC1CCOCC1 CS-0047579 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.2 OC[C@@H]1CCCNC1 CS-0030374 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.5 CC1NCCCC1O CS-0047280 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.5 CN1CCNCC1=O CS-D0697 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.5 NC1CCCCC1=O CS-0099232 [0,0,0,1,0,0|1,0,0]=2 20 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-M2431 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.5 N[C@@H]1CCCNC1=O CS-0102181 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.5 O=C1CCCCC1=O CS-W007347 [0,0,0,1,0,0|1,0,1]=3 23 B8R1.8 COCC1CCCN1 CS-0036150 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.8 COC[C@@H]1CCCN1 CS-W002057 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.10 OCCCN1CCC1 CS-D0260 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.11 CCN1CCNC1=O CS-0090841 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.11 C[C@H]1OCC[C@H]1CO CS-0037749 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.22 CC1CCCCCN1 CS-0036910 [0,0,0,1,0,0|1,0,1]=3 29 B8R1.22 CC1CNCCCO1 CS-0038165 [0,0,0,1,0,0|1,0,2]=4 30 B8R1.22 FC1CCCNCC1 CS-0047364 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.22 N[C@@H]1CCCCNC1 CS-M3616 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.22 O=C1CCCOCC1 CS-0037287 [0,0,0,1,0,0|1,0,0]=2 33 B8R1.22 O=C1CCOCCN1 CS-W021289 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.49 C1=CCCC=CCC1 CS-0067245 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.49 C1=CCCC=CCC1 CS-W008473 [0,0,0,1,0,0|1,0,2]=4 36 B5R0.2 CNCCCO CS-W007469 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.4 CNCCCC(=O)O CS-0096860 [1,1,0,0,0,0|1,0,0]=3 38 B9R0.45 C#CCCCCCCCO CS-W018840 [0,2,0,0,0,0|0,0,2]=4 39 B9R0.46 CCNCCCC(=O)OC CS-0039669 [0,2,0,0,0,0|1,0,0]=3 40 B9R0.46 COC(=O)CCCCCN CS-W008066 [0,2,0,0,0,0|1,0,0]=3 41 B9R0.46 COC(=O)CSCCCCl CS-0037336 [0,2,0,0,0,0|2,0,0]=4 42 B9R0.47 CCCCC[C@H](N)C(=O)O CS-W018819 [0,2,0,0,0,0|0,0,0]=2 43 B9R0.55 CC(=O)CCCOC(C)=O CS-0089169 [0,2,0,0,0,0|1,0,1]=4 44 B7R1.1 NCC1CCCC1 CS-D0472 [1,0,0,1,0,0|1,0,0]=3 45 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.1 OCC1CCCN1 CS-W007622 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.1 OCC1CCNC1 CS-W019882 [1,0,0,1,0,0|1,0,1]=4 49 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.3 BrC1CCCOC1 CS-W019418 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.3 C[C@H]1COCCN1 CS-M0392 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.3 C[C@H]1COCCN1 CS-W008644 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.3 FC1CCNCC1 CS-0040905 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.3 O=C1CCCSC1 CS-D0446 [1,0,0,1,0,0|1,0,0]=3 59 B7R1.3 O=C1CCOCC1 CS-D0601 [1,0,0,1,0,0|1,0,0]=3 60 B7R1.3 O=C1CNCCN1 CS-B0039 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.3 O=S1CCNCC1 CS-0043941 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.3 OC1CCCCO1 CS-0015921 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.4 CN1CCNC1=O CS-W005507 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.4 C[C@H]1CCC[C@H]1N CS-0079949 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.4 C[C@H]1CCC[C@H]1O CS-0036366 [1,0,0,1,0,0|0,0,1]=3 66 B7R1.4 C[C@H]1COC[C@@H]1O CS-0037574 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.4 C[C@H]1OCC[C@H]1N CS-0038438 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.4 N[C@@H]1CCNC1=O CS-0094049 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.6 N#CCC1CCC1 CS-0079983 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.6 OCCN1CCC1 CS-D0268 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.24 C1=CCCNCC1 CS-M3519 [1,0,0,1,0,0|1,0,1]=4 73 B9R1.2 NCC1CCNC(=O)C1 CS-0037079 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.7 CCOC1=CC(=O)CC1 CS-0039741 [0,1,0,1,0,0|1,0,1]=4 75 B9R1.8 BrCCC1CCOCC1 CS-M3430 [0,1,0,1,0,0|1,0,1]=4 76 B9R1.8 BrCCN1CCCCC1 CS-W005524 [0,1,0,1,0,0|1,0,1]=4 77 B9R1.8 N#CCC1CCOCC1 CS-W018364 [0,1,0,1,0,0|1,0,1]=4 78 B9R1.8 OCC[C@@H]1CCCCN1 CS-W019797 [0,1,0,1,0,0|0,0,2]=4 79 B9R1.33 NCCN1CCOC1=O CS-0040773 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.33 O=C1CCCN1CCCl CS-0036362 [0,1,0,1,0,0|1,0,0]=3 81 B9R1.50 O=C1CCCCCCC1 CS-W007564 [0,1,0,1,0,0|0,0,0]=2 82 B9R1.69 CC1CN(C)CCC1=O CS-M1154 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.5 N[C@@H]1CCCCNC1=O CS-M3615 [0,1,0,1,0,0|1,0,0]=3 84 B9R1.5 O=C1CCNCCC1F CS-0079948 [0,1,0,1,0,0|1,0,0]=3 85 B9R1.16 C=CCCC[C@@H]1C[C@H]1O CS-M2332 [0,1,0,1,0,0|1,0,0]=3 86 B9R1.1 CC1CCC(CBr)CC1 CS-0038987 [0,1,0,1,0,0|1,0,1]=4 87 B9R1.1 CO[C@H]1CC[C@H](N)CC1 CS-0047753 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.1 C[C@H]1CC[C@H](CO)CC1 CS-0035799 [0,1,0,1,0,0|0,0,2]=4 89 B9R1.1 N#CC1CCC(O)CC1 CS-D1577 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.3 CC1C(=O)CCCC1=O CS-W019564 [0,1,0,1,0,0|0,0,1]=3 91 B9R1.11 CCC(C)C1CCNC1 CS-WAA0217 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.132 CCN1OC[C@@H](N)C1=O CS-0047157 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.132 CN1CCC(CO)C1=O CS-W018824 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.6 N=C(N)N1CCCCC1 CS-0047229 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.6 NC(=O)C1CCCCC1 CS-W013481 [0,1,0,1,0,0|0,0,0]=2 96 B9R1.6 NC(=O)C1CCOCC1 CS-D1171 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.6 O=C(O)C1CCSCC1 CS-0045869 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.13 CC(=O)SC1CCOC1 CS-0080008 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.13 O=C(O)CC1CCOC1 CS-W005250 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.13 O=C(O)C[C@@H]1CCNC1 CS-0052117 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.40 CC1(C)CCCCC1=O CS-W008668 [0,1,0,1,0,0|0,0,0]=2 102 B9R1.41 CC1CCCC1C(=O)O CS-0047145 [0,1,0,1,0,0|0,0,0]=2 103 B9R1.84 O=C(O)CCN1CCC1 CS-W020473 [0,1,0,1,0,0|1,0,0]=3 104 B9R2.49 C1CC2CCC1CN2 CS-0054718 [0,0,0,2,0,0|1,0,1]=4 105 B9R2.39 OC1CC2C=CC1C2 CS-W008466 [0,0,0,2,0,0|2,0,0]=4 106 B9R2.7 O=C1NC2CCCC12 CS-0063926 [0,0,0,2,0,0|1,0,0]=3