0 B8R0.4 CCCCCC\C=C\I 0029AQ [0,0,0,0,0,0|1,0,2]=3 1 B7R0.1 CCCCCCNC Y1198 [1,0,0,0,0,0|1,0,1]=3 2 B7R0.1 CCCCNCCC 6811AD [1,0,0,0,0,0|1,0,2]=4 3 B7R0.1 CC\C=C/CCC=O 8476AJ [1,0,0,0,0,0|2,0,1]=4 4 B7R0.1 CC\C=C/CCCC 7443AL [1,0,0,0,0,0|1,0,0]=2 5 B7R0.1 COCCCCCBr Y7509 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.1 C\C=C\C#CCCO 7743AC [1,0,0,0,0,0|1,0,2]=4 7 B9R0.18 CCCCC(C)CCCC 6803AL [0,1,0,0,0,0|1,0,2]=4 8 B9R0.45 CCCCCCCCCCl 8135AF [0,1,0,0,0,0|1,0,2]=4 9 B9R0.45 CCCCCCCCCS Q791 [0,1,0,0,0,0|0,1,2]=4 10 B9R0.45 C\C=C/CCCCCCC 7421AL [0,1,0,0,0,0|1,0,2]=4 11 B9R0.46 CCCCCCC(C)CC 6115AL [0,1,0,0,0,0|1,0,2]=4 12 B9R0.46 CC[C@H](C)CCCCCO 4206AL [0,1,0,0,0,0|0,0,2]=3 13 B9R0.46 OCCCCCC(O)CO 4414AL [0,1,0,0,0,0|1,0,2]=4 14 B9R1.5 N[C@H]1CCCCC[C@@H]1O 0321AQ [0,0,0,1,0,0|1,0,2]=4 15 B9R1.8 C=C=CC1CCCCC1 X3409 [0,0,0,1,0,0|1,0,2]=4 16 B9R1.8 COC[C@@H]1CNCCO1 7914AA [0,0,0,1,0,0|2,0,1]=4 17 B9R1.8 OCCC1CNCCO1 1271AJ [0,0,0,1,0,0|2,0,1]=4 18 B9R1.8 OCCC1CNCCO1 6034AA [0,0,0,1,0,0|2,0,1]=4 19 B9R1.12 CCCCC1C=CC=C1 5026AC [0,0,0,1,0,0|1,0,1]=3 20 B9R1.12 CNCCC1OCCO1 5054AL [0,0,0,1,0,0|2,0,1]=4 21 B9R1.14 CCN1N=CC=C1CO Y5139 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.15 N[C@@H]1CCCC[C@@H]1CO 8475AJ [0,0,0,1,0,0|1,0,2]=4 23 B9R1.15 N[C@@H]1CCCC[C@H]1CO 4877AJ [0,0,0,1,0,0|1,0,2]=4 24 B9R1.33 CCOC1=[N+](C)CCC1 0949AC [0,0,0,1,0,0|3,0,0]=4 25 B9R1.33 CN1CCC[C@H]1CCO 9114AH [0,0,0,1,0,0|1,0,2]=4 26 B9R1.50 NC1C=CCCCCC1 5931AD [0,0,0,1,0,0|1,0,0]=2 27 B9R1.103 C1CCCCNCCC1 8287AB [0,0,0,1,0,0|1,0,2]=4 28 B6R0.6 CCCSCCN 1695AE [2,0,0,0,0,0|2,0,0]=4 29 B6R0.6 COCCCC=O Y8222 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.6 NNCCCCO 2732AL [2,0,0,0,0,0|2,0,0]=4 31 B8R0.1 CCCCC(O)CCC 7995AF [1,1,0,0,0,0|0,0,2]=4 32 B8R0.1 CCCC[C@H](N)CCO 2562AA [1,1,0,0,0,0|0,0,1]=3 33 B8R0.6 CCCCCC(C)CC 6116AL [1,1,0,0,0,0|0,0,2]=4 34 B8R0.6 CCCCCC(O)CCl 7654AB [1,1,0,0,0,0|1,0,1]=4 35 B8R0.6 CC[C@H](C)CCCCO 4205AL [1,1,0,0,0,0|0,0,1]=3 36 B8R0.7 C=C(Br)CCCCCC 3761AD [1,1,0,0,0,0|0,0,2]=4 37 B8R0.7 CC(C)CCCCCBr 4961AE [1,1,0,0,0,0|1,0,1]=4 38 B8R0.7 CC(C)CCCCCN 8012AF [1,1,0,0,0,0|1,0,1]=4 39 B8R0.7 CCCCC#CC(=O)O 5639AL [1,1,0,0,0,0|0,0,2]=4 40 B8R0.7 CCCCCCC(C)C 5738AL [1,1,0,0,0,0|0,0,2]=4 41 B10R0.74 OCCCCCCC(O)CO 4415AL [0,2,0,0,0,0|0,0,2]=4 42 B10R0.1 CCOC(=O)CCCCCN 3404AL [0,2,0,0,0,0|2,0,0]=4 43 B10R0.71 OCCOCCCOCCO 0227AQ [0,2,0,0,0,0|1,0,1]=4 44 B8R1.2 BrC=C1CCCCC1 0651AQ [1,0,0,1,0,0|1,0,0]=3 45 B8R1.2 BrCC1=CCCCC1 1457AL [1,0,0,1,0,0|1,0,0]=3 46 B8R1.2 BrCC1CCCCO1 Z3437 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.2 CC[C@@H]1CNCCO1 5802AA [1,0,0,1,0,0|1,0,1]=4 48 B8R1.2 CC[C@H]1CNCCO1 1583AC [1,0,0,1,0,0|1,0,1]=4 49 B8R1.2 ClCC1CCCCO1 9636AA [1,0,0,1,0,0|1,0,1]=4 50 B8R1.2 NCC1CCC=CO1 2289AL [1,0,0,1,0,0|1,0,0]=3 51 B8R1.5 CC1CCNCC1O 2894AJ [1,0,0,1,0,0|1,0,1]=4 52 B8R1.5 C[C@@H]1CCCC[C@@H]1N 8411AH [1,0,0,1,0,0|1,0,1]=4 53 B8R1.5 C[C@@H]1CCNC[C@H]1O 4685AJ [1,0,0,1,0,0|1,0,1]=4 54 B8R1.5 C[C@H]1CCCC[C@@H]1O 9211AL [1,0,0,1,0,0|0,0,1]=3 55 B8R1.5 C[C@H]1CCCC[C@H]1N 8370AH [1,0,0,1,0,0|1,0,1]=4 56 B8R1.5 C[C@H]1CCCC[C@H]1N 8371AH [1,0,0,1,0,0|1,0,1]=4 57 B8R1.5 N[C@@H]1CCCC[C@@H]1O 1658AA [1,0,0,1,0,0|1,0,1]=4 58 B8R1.5 N[C@H]1CCCC[C@H]1O 2200AB [1,0,0,1,0,0|1,0,1]=4 59 B8R1.8 BrCCC1CCCC1 9860AA [1,0,0,1,0,0|1,0,1]=4 60 B8R1.8 OCCC1CCCN1 1282AJ [1,0,0,1,0,0|1,0,1]=4 61 B8R1.8 OCCC1CCCN1 1283AJ [1,0,0,1,0,0|1,0,1]=4 62 B8R1.10 OCCCC1COC1 1984AB [1,0,0,1,0,0|1,0,1]=4 63 B8R1.11 NCC1CCCC1O 3854AC [1,0,0,1,0,0|1,0,1]=4 64 B8R1.11 N[C@@H]1CCC[C@H]1CO 5456AB [1,0,0,1,0,0|1,0,1]=4 65 B8R1.22 CC1CCCNCC1 2641AE [1,0,0,1,0,0|1,0,1]=4 66 B8R1.36 CCCCCC1CO1 4463AL [1,0,0,1,0,0|0,0,1]=3 67 B8R1.49 C1=CCCC=CCC1 3897AA [1,0,0,1,0,0|0,0,2]=4 68 B8R1.49 C1=CCCC=CCC1 4304AA [1,0,0,1,0,0|0,0,2]=4 69 B8R1.49 C1=CCCC=CCC1 5996AA [1,0,0,1,0,0|0,0,2]=4 70 B8R1.49 C1=CCCC=CCC1 6196AH [1,0,0,1,0,0|0,0,2]=4 71 B10R1.18 CC(C)CC1CNCCO1 5678AC [0,1,0,1,0,0|1,0,1]=4 72 B10R1.18 CC(C)C[C@@H]1CNCCO1 1601AC [0,1,0,1,0,0|1,0,1]=4 73 B10R1.18 CC(C)C[C@H]1CNCCO1 5431AA [0,1,0,1,0,0|1,0,1]=4 74 B10R1.18 O=C(O)C=C1CCNCC1 4458AJ [0,1,0,1,0,0|1,0,1]=4 75 B10R1.66 CC(O)CCC1CCCO1 3886AE [0,1,0,1,0,0|0,0,2]=4 76 B10R1.197 CCC1CCNC(=O)CC1 0938AE [0,1,0,1,0,0|2,0,0]=4 77 B10R1.4 CC1CCCCN1CCO 5913AD [0,1,0,1,0,0|0,0,2]=4 78 B10R1.17 CCNCC1CNCCO1 3608AL [0,1,0,1,0,0|1,0,1]=4 79 B10R1.17 CNCCC1CCCCO1 4410AJ [0,1,0,1,0,0|0,0,2]=4 80 B10R1.17 OCCCC1CCCNC1 1979AB [0,1,0,1,0,0|0,0,2]=4 81 B10R1.17 OCCOC1CCCCC1 5273AJ [0,1,0,1,0,0|0,0,2]=4 82 B10R1.15 O=C(CBr)N1CCCCC1 9420AA [0,1,0,1,0,0|2,0,0]=4 83 B10R2.7 C1=CCC2COCC2C1 6462AB [0,0,0,2,0,0|2,0,0]=4