0 B6R0.6 CC#CCCCO CS-0047308 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.6 CNCCCCO CS-W006493 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.2 CNCCCO CS-W007469 [1,0,0,0,0,0|1,0,0]=2 3 B5R0.2 COCCNN CS-0035845 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.2 NNCCCO CS-0047562 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.2 OC\C=C\CO CS-B0322 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.1 NCCCCCCO CS-W007957 [0,1,0,0,0,0|0,0,0]=1 7 B7R0.1 NCCCOCCO CS-0036940 [0,1,0,0,0,0|1,0,0]=2 8 B7R0.1 OCCCCCCBr CS-W017171 [0,1,0,0,0,0|0,0,0]=1 9 B7R0.3 COC(=O)CCCN CS-W019991 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.4 CNCCCC(=O)O CS-0096860 [0,1,0,0,0,0|1,0,1]=3 11 B7R1.1 N#C[C@H]1CCNC1 CS-0053245 [0,0,0,1,0,0|2,0,1]=4 12 B7R1.1 NCC1CCCC1 CS-D0472 [0,0,0,1,0,0|1,0,0]=2 13 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [0,0,0,1,0,0|2,0,0]=3 14 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [0,0,0,1,0,0|2,0,0]=3 15 B7R1.1 OCC1CCCN1 CS-W007622 [0,0,0,1,0,0|1,0,0]=2 16 B7R1.1 OCC1CCNC1 CS-W019882 [0,0,0,1,0,0|1,0,0]=2 17 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,0,0,1,0,0|1,0,0]=2 18 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [0,0,0,1,0,0|1,0,0]=2 19 B7R1.3 BrC1CCCOC1 CS-W019418 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,0,0,1,0,0|1,0,0]=2 22 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.3 FC1CCNCC1 CS-0040905 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.3 O=C1CCCSC1 CS-D0446 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.3 O=C1CCOCC1 CS-D0601 [0,0,0,1,0,0|1,0,2]=4 28 B7R1.3 O=S1CCNCC1 CS-0043941 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.3 OC1CCCCO1 CS-0015921 [0,0,0,1,0,0|1,0,0]=2 30 B7R1.4 C[C@H]1CCC[C@H]1N CS-0079949 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.4 C[C@H]1CCC[C@H]1O CS-0036366 [0,0,0,1,0,0|0,0,0]=1 32 B7R1.4 C[C@H]1COC[C@@H]1O CS-0037574 [0,0,0,1,0,0|1,0,0]=2 33 B7R1.4 C[C@H]1OCC[C@H]1N CS-0038438 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049652 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.4 O=C1NCC[C@H]1O CS-W018663 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0042168 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0058680 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.5 CCCC1ON1C CS-M0757 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.6 COCC1CNC1 CS-W023140 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.6 N#CCC1CCC1 CS-0079983 [0,0,0,1,0,0|1,0,1]=3 42 B7R1.6 OCCN1CCC1 CS-D0268 [0,0,0,1,0,0|1,0,0]=2 43 B7R1.7 BrCC#CC1CC1 CS-0043911 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.24 C1=CCCNCC1 CS-M3519 [0,0,0,1,0,0|1,0,2]=4 45 B4R0.2 ClCCCI CS-W018493 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.1 CCOC(=N)CC CS-0047019 [1,1,0,0,0,0|1,0,1]=4 47 B6R0.1 COC(=O)CCO CS-0022864 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.4 CC(C)NCCCl CS-W006300 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.4 CCCCC(=N)N CS-0046978 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.1 C#CCCC(=O)CCO CS-0038477 [0,2,0,0,0,0|0,0,2]=4 51 B8R0.1 CCOC(=O)CCCI CS-0029516 [0,2,0,0,0,0|1,0,1]=4 52 B8R0.4 C=CCCCCCCI CS-0036274 [0,2,0,0,0,0|1,0,0]=3 53 B8R0.4 CCCCCCCCO CS-0076037 [0,2,0,0,0,0|0,0,0]=2 54 B8R0.6 COC(=O)CCCCBr CS-W022866 [0,2,0,0,0,0|1,0,1]=4 55 B8R0.7 CC(=O)NCCCON CS-B1212 [0,2,0,0,0,0|1,0,1]=4 56 B8R0.7 CCCC\C=C\B(O)O CS-0094491 [0,2,0,0,0,0|0,0,2]=4 57 B8R0.11 CO[C@H](CO)OCCO CS-0011330 [0,2,0,0,0,0|2,0,0]=4 58 B8R0.28 CC(C)CNCC(=O)O CS-0047296 [0,2,0,0,0,0|1,0,1]=4 59 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [1,0,0,1,0,0|1,0,0]=3 60 B6R1.2 FC1CCNC1 CS-W005668 [1,0,0,1,0,0|2,0,0]=4 61 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [1,0,0,1,0,0|2,0,0]=4 62 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [1,0,0,1,0,0|2,0,0]=4 63 B6R1.2 OC1CCOC1 CS-M0786 [1,0,0,1,0,0|1,0,0]=3 64 B6R1.2 O[C@H]1CCOC1 CS-D0600 [1,0,0,1,0,0|1,0,0]=3 65 B6R1.3 CCNC1CC1 CS-0046972 [1,0,0,1,0,0|1,0,0]=3 66 B6R1.3 OCC[C@@H]1CO1 CS-0057154 [1,0,0,1,0,0|1,0,0]=3 67 B6R1.6 N#CC1CCC1 CS-0007644 [1,0,0,1,0,0|1,0,1]=4 68 B6R1.6 NCC1CCC1 CS-W004986 [1,0,0,1,0,0|1,0,0]=3 69 B6R1.6 NCC1CCC1 CS-W022619 [1,0,0,1,0,0|1,0,0]=3 70 B6R1.6 NNC1CCC1 CS-D1710 [1,0,0,1,0,0|2,0,0]=4 71 B6R1.8 C[C@@H]1C[C@H]1CN CS-0039743 [1,0,0,1,0,0|1,0,0]=3 72 B8R1.2 BrCC1CCCCC1 CS-W007517 [0,1,0,1,0,0|1,0,0]=3 73 B8R1.2 C#CC1CCCNC1 CS-0040070 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.2 CCC1CNCCO1 CS-0080681 [0,1,0,1,0,0|0,0,0]=2 75 B8R1.2 CCC1COCCN1 CS-0059261 [0,1,0,1,0,0|1,0,0]=3 76 B8R1.2 N#CC1CCCCO1 CS-0047273 [0,1,0,1,0,0|0,0,1]=3 77 B8R1.2 NCC1CCCNC1 CS-0028231 [0,1,0,1,0,0|1,0,0]=3 78 B8R1.2 NNC1CCCCC1 CS-0047552 [0,1,0,1,0,0|1,0,0]=3 79 B8R1.2 NNC1CCOCC1 CS-0047579 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.2 OCC1COCCN1 CS-0053095 [0,1,0,1,0,0|1,0,0]=3 81 B8R1.2 OCC1COCCN1 CS-0104915 [0,1,0,1,0,0|1,0,0]=3 82 B8R1.2 OC[C@@H]1CCCNC1 CS-0030374 [0,1,0,1,0,0|0,0,0]=2 83 B8R1.2 OC[C@H]1COCCN1 CS-0031401 [0,1,0,1,0,0|1,0,0]=3 84 B8R1.5 CC1NCCCC1O CS-0047280 [0,1,0,1,0,0|0,0,0]=2 85 B8R1.5 NC1CCCCC1=O CS-0099232 [0,1,0,1,0,0|0,0,2]=4 86 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-M2431 [0,1,0,1,0,0|1,0,0]=3 87 B8R1.5 N[C@H]1CCOC[C@@H]1F CS-0047782 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.8 COCC1CCCN1 CS-0036150 [0,1,0,1,0,0|1,0,0]=3 89 B8R1.8 COC[C@@H]1CCCN1 CS-W002057 [0,1,0,1,0,0|1,0,0]=3 90 B8R1.10 OCCCN1CCC1 CS-D0260 [0,1,0,1,0,0|0,0,0]=2 91 B8R1.11 C[C@H]1OCC[C@H]1CO CS-0037749 [0,1,0,1,0,0|0,0,0]=2 92 B8R1.22 CC1CCCCCN1 CS-0036910 [0,1,0,1,0,0|1,0,0]=3 93 B8R1.22 CC1CNCCCO1 CS-0038165 [0,1,0,1,0,0|0,0,0]=2 94 B8R1.22 FC1CCCNCC1 CS-0047364 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.22 N[C@@H]1CCCCNC1 CS-M3616 [0,1,0,1,0,0|1,0,0]=3 96 B8R1.22 O=C1CCCOCC1 CS-0037287 [0,1,0,1,0,0|0,0,1]=3 97 B8R1.22 O=C1CCOCCN1 CS-W021289 [0,1,0,1,0,0|1,0,1]=4 98 B8R1.1 NCC1CCC(F)C1 CS-0037976 [0,1,0,1,0,0|1,0,0]=3 99 B8R1.1 NCC1CCC(O)C1 CS-0038957 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.3 CN1CCC(Br)CC1 CS-0054167 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W011254 [0,1,0,1,0,0|1,0,0]=3 102 B8R1.3 NC1CCC(Br)CC1 CS-0039218 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.3 NN1CCC(O)CC1 CS-0044231 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.4 CC1CNCC(C)N1 CS-W013629 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.4 CN1CCC[C@@H](N)C1 CS-0030803 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.4 C[C@H]1CN(C)CCN1 CS-0054951 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.4 N[C@H]1CCC[C@@H](N)C1 CS-0047588 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.4 N[C@H]1CCC[C@@H](O)C1 CS-0047350 [0,1,0,1,0,0|0,0,0]=2 109 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-0053309 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.7 O=C(O)[C@H]1CCNC1 CS-0053243 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.72 CC1(O)CCNCC1 CS-B1024 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.72 CC1(O)CCOCC1 CS-W006621 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.72 FC1(F)CCCNC1 CS-W001579 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.72 FC1(F)CCNCC1 CS-0028285 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.72 FC1(F)CCNCC1 CS-W001440 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.66 NC1(CCO)CCC1 CS-0044856 [0,1,0,1,0,0|0,0,0]=2 118 B8R2.34 C1CC2CCC1N2 CS-W018698 [0,0,0,2,0,0|1,0,0]=3 119 B8R2.34 C1O[C@H]2CN[C@@H]1C2 CS-0044652 [0,0,0,2,0,0|1,0,0]=3 120 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 CS-0036289 [0,0,0,2,0,0|0,0,2]=4 121 B8R2.42 C1CC2(C1)CNC2 CS-0052032 [0,0,0,2,0,0|2,0,0]=4