0 B6R0.6 CC#CCCCO CS-0047308 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 CNCCCCO CS-W006493 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.2 CNCCCO CS-W007469 [1,0,0,0,0,0|2,0,0]=3 3 B5R0.2 NNCCCO CS-0047562 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.2 OC\C=C\CO CS-B0322 [1,0,0,0,0,0|0,0,2]=3 5 B7R0.1 NCCCCCCO CS-W007957 [0,1,0,0,0,0|2,0,0]=3 6 B7R0.1 NCCCOCCO CS-0036940 [0,1,0,0,0,0|2,0,0]=3 7 B7R0.1 OCCCCCCBr CS-W017171 [0,1,0,0,0,0|2,0,0]=3 8 B7R1.1 NCC1CCCC1 CS-D0472 [0,0,0,1,0,0|3,0,0]=4 9 B7R1.1 OCC1CCCN1 CS-W007622 [0,0,0,1,0,0|1,0,0]=2 10 B7R1.1 OCC1CCNC1 CS-W019882 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [0,0,0,1,0,0|1,0,0]=2 13 B7R1.3 BrC1CCCOC1 CS-W019418 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,0,0,1,0,0|2,0,0]=3 15 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,0,0,1,0,0|1,0,0]=2 16 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.3 O=C1CNCCN1 CS-B0039 [0,0,0,1,0,0|1,0,2]=4 20 B7R1.3 OC1CCCCO1 CS-0015921 [0,0,0,1,0,0|1,0,0]=2 21 B7R1.4 C[C@H]1CCC[C@H]1N CS-0079949 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.4 C[C@H]1CCC[C@H]1O CS-0036366 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.4 C[C@H]1COC[C@@H]1O CS-0037574 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049652 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0042168 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0058680 [0,0,0,1,0,0|1,0,0]=2 28 B7R1.6 OCCN1CCC1 CS-D0268 [0,0,0,1,0,0|1,0,0]=2 29 B7R1.24 C1=CCCNCC1 CS-M3519 [0,0,0,1,0,0|2,0,0]=3 30 B4R0.2 ClCCCI CS-W018493 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.1 COC(=O)CCO CS-0022864 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.4 CC(C)NCCCl CS-W006300 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.1 C#CCCC(=O)CCO CS-0038477 [0,2,0,0,0,0|2,0,0]=4 34 B8R0.4 CCCCCCCCO CS-0076037 [0,2,0,0,0,0|2,0,0]=4 35 B8R0.11 CO[C@H](CO)OCCO CS-0011330 [0,2,0,0,0,0|1,0,0]=3 36 B8R0.28 CC(C)CNCC(=O)O CS-0047296 [0,2,0,0,0,0|1,0,1]=4 37 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [1,0,0,1,0,0|1,0,0]=3 38 B6R1.2 FC1CCNC1 CS-W005668 [1,0,0,1,0,0|1,0,0]=3 39 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [1,0,0,1,0,0|1,0,0]=3 40 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [1,0,0,1,0,0|2,0,0]=4 41 B6R1.2 O=C1CCNC1 CS-W005267 [1,0,0,1,0,0|0,0,2]=4 42 B6R1.2 OC1CCOC1 CS-M0786 [1,0,0,1,0,0|1,0,0]=3 43 B6R1.2 O[C@H]1CCOC1 CS-D0600 [1,0,0,1,0,0|1,0,0]=3 44 B6R1.3 CCNC1CC1 CS-0046972 [1,0,0,1,0,0|1,0,0]=3 45 B6R1.3 OCC[C@@H]1CO1 CS-0057154 [1,0,0,1,0,0|0,0,0]=2 46 B6R1.6 NCC1CCC1 CS-W004986 [1,0,0,1,0,0|2,0,0]=4 47 B6R1.6 NCC1CCC1 CS-W022619 [1,0,0,1,0,0|2,0,0]=4 48 B6R1.8 C[C@@H]1C[C@H]1CN CS-0039743 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.2 C#CC1CCCNC1 CS-0040070 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.2 CCC1CNCCO1 CS-0080681 [0,1,0,1,0,0|1,0,0]=3 51 B8R1.2 CCC1COCCN1 CS-0059261 [0,1,0,1,0,0|1,0,0]=3 52 B8R1.2 N#CC1CCCCO1 CS-0047273 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.2 N#C[C@@H]1CNCCN1 CS-M3614 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.2 NCC1CCCNC1 CS-0028231 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.2 OCC1COCCN1 CS-0053095 [0,1,0,1,0,0|0,0,0]=2 56 B8R1.2 OCC1COCCN1 CS-0104915 [0,1,0,1,0,0|0,0,0]=2 57 B8R1.2 OC[C@@H]1CCCNC1 CS-0030374 [0,1,0,1,0,0|1,0,0]=3 58 B8R1.2 OC[C@H]1COCCN1 CS-0031401 [0,1,0,1,0,0|0,0,0]=2 59 B8R1.5 CC1NCCCC1O CS-0047280 [0,1,0,1,0,0|1,0,0]=3 60 B8R1.8 COCC1CCCN1 CS-0036150 [0,1,0,1,0,0|1,0,0]=3 61 B8R1.8 COC[C@@H]1CCCN1 CS-W002057 [0,1,0,1,0,0|1,0,0]=3 62 B8R1.10 OCCCN1CCC1 CS-D0260 [0,1,0,1,0,0|1,0,0]=3 63 B8R1.11 C[C@H]1OCC[C@H]1CO CS-0037749 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.22 CC1CCCCCN1 CS-0036910 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.22 CC1CNCCCO1 CS-0038165 [0,1,0,1,0,0|1,0,0]=3 66 B8R1.22 FC1CCCNCC1 CS-0047364 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.22 N[C@@H]1CCCCNC1 CS-M3616 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.22 O=C1CCCOCC1 CS-0037287 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.22 O=C1CCOCCN1 CS-W021289 [0,1,0,1,0,0|1,0,1]=4 70 B8R1.1 NCC1CCC(O)C1 CS-0038957 [0,1,0,1,0,0|2,0,0]=4 71 B8R1.4 CC1CNCC(C)N1 CS-W013629 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.4 CN1CCC[C@@H](N)C1 CS-0030803 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.4 C[C@H]1CN(C)CCN1 CS-0054951 [0,1,0,1,0,0|2,0,0]=4 74 B8R1.4 N[C@H]1CCC[C@@H](O)C1 CS-0047350 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [0,1,0,1,0,0|1,0,1]=4 76 B8R1.72 FC1(F)CCCNC1 CS-W001579 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.66 NC1(CCO)CCC1 CS-0044856 [0,1,0,1,0,0|2,0,0]=4 78 B8R2.34 C1CC2CCC1N2 CS-W018698 [0,0,0,2,0,0|2,0,0]=4 79 B8R2.34 C1O[C@H]2CN[C@@H]1C2 CS-0044652 [0,0,0,2,0,0|1,0,0]=3