0 B6R0.6 C#CCCCCN D76652 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 CCNCCSC AT25567 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 CCOCCNN AC6859 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.6 CCOCCON AT14482 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.6 CNCCCC#N AB10346 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 CNCCCOC F15969 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.6 COCCCC#N C77649 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 COCCCCN C77605 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 COCCCON AT14486 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.6 COCCN=C=O D87777 [0,0,0,0,0,0|1,1,0]=2 10 B6R0.6 CSCCN=C=S AT25553 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.6 C\C=C/CCCCl T71143 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 N#CCCCCN AC2033 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.6 O=CNCCCO AC9004 [0,0,0,0,0,0|1,1,2]=4 14 B6R0.6 [2H]OCCCCC D99155 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.6 [N-]=[N+]=NCCCN F19638 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.2 C#CCCOC AC9661 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 C#CCNCC AT19974 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 CCCC#CI T71796 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.2 CCCCNN AC6660 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.2 CCCCNO AT14838 [1,0,0,0,0,0|0,1,1]=3 21 B5R0.2 CCCNOC AT24927 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 CNCCSC D87904 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.2 COCCNN AC7088 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 N#CCCCN N13271 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.2 NCCCNN W10659 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 NCCCNO AT14843 [1,0,0,0,0,0|1,1,1]=4 27 B5R0.2 NNCCCO W10664 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.2 NOCCCO P16653 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.2 [2H]OCCCC D98922 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.1 C=CCCCCCCl I11994 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.1 C=CCCCCCO F14745 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.1 CNCCCCCO AT11157 [0,1,0,0,0,0|1,1,1]=4 33 B7R0.1 CNCCCCCO AT11158 [0,1,0,0,0,0|1,1,1]=4 34 B7R0.1 C\C=C/CCCCC T72919 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.1 O=CCCCCCCl 24359 [0,1,0,0,0,0|1,1,1]=4 36 B7R0.1 OCCCCCCI AT14272 [0,1,0,0,0,0|1,1,1]=4 37 B7R0.3 CC#CC[C@@H](O)CC T72024 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.3 CCCC[C@H](N)CO D75114 [0,1,0,0,0,0|1,1,1]=4 39 B7R0.3 CCCC[C@H](N)CO H10583 [0,1,0,0,0,0|1,1,1]=4 40 B7R0.3 CC[C@H](O)CCC#N F51112 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.4 CCCCCC(N)=S W19000 [0,1,0,0,0,0|1,0,1]=3 43 B7R0.4 CN(C)CCN=[N+]=[N-] AC9812 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.7 CCC[C@H](N)CCO N15481 [0,1,0,0,0,0|1,1,1]=4 45 B7R0.7 CCC[C@H](N)CCO N15482 [0,1,0,0,0,0|1,1,1]=4 46 B7R1.1 CCC1CCCC1 T71889 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.1 CC[C@H]1CCCN1 N12693 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.1 NOC1CCCC1 97656 [0,0,0,1,0,0|3,0,0]=4 49 B7R1.1 ONC1CCCC1 33366 [0,0,0,1,0,0|2,1,0]=4 50 B7R1.1 ONC1CCCC1 33756 [0,0,0,1,0,0|2,1,0]=4 51 B7R1.3 C[C@H]1CCCCN1 N14212 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.3 C[C@H]1CCCNC1 F14484 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.3 ClC1=CCCCC1 FD10699 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.3 S=C1CCCCC1 N16924 [0,0,0,1,0,0|1,0,1]=3 55 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.4 C[C@H]1CCNC1=O C74322 [0,0,0,1,0,0|0,1,2]=4 57 B7R1.6 NNCC1CCC1 D87549 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.24 C1CCCNCC1 D77224 [0,0,0,1,0,0|1,0,2]=4 59 B7R1.24 C1CCNNCC1 AB9014 [0,0,0,1,0,0|2,0,1]=4 60 B4R0.2 C=C=CCC T72673 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.2 CCNCC T70517 [2,0,0,0,0,0|1,0,1]=4 62 B4R0.2 CNCCS AT25552 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.2 COCCS AT13674 [2,0,0,0,0,0|1,0,1]=4 64 B4R0.2 NCCCI AC8002 [2,0,0,0,0,0|1,0,1]=4 65 B4R0.2 NCCCN T70141 [2,0,0,0,0,0|1,0,1]=4 66 B4R0.2 NCCCN T70477 [2,0,0,0,0,0|1,0,1]=4 67 B4R0.2 [2H]OCCC D99167 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.1 C=C[C@@H](C)CCC T72328 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.1 CCC(=O)N=C=S AT25941 [1,1,0,0,0,0|0,0,1]=3 70 B6R0.1 CCC[C@H](C)CBr S11885 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.1 CC[C@H](N)CCO AT22371 [1,1,0,0,0,0|0,1,1]=4 72 B6R0.1 CC[C@H](N)COC D87652 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.1 CC[C@H](N)COC D87653 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.1 CC[C@H](O)CC#N A50899 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.4 CC(C)CCNN AC3937 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.4 CCCNC(=S)[S-] I11294 [1,1,0,0,0,0|0,0,2]=4 77 B6R0.4 C[C@H](N)CCCO AT20758 [1,1,0,0,0,0|0,1,1]=4 78 B6R0.4 C[C@H](O)CCC#N F51113 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.4 C[C@H](O)CCCBr A11305 [1,1,0,0,0,0|1,0,1]=4 80 B6R0.4 C[C@H](O)CCCN AT20756 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.4 FC(F)CN=C=S AT25466 [1,1,0,0,0,0|1,0,0]=3 82 B6R0.4 [2H][C@H](Br)CCCC D99408 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.4 [N-]=[N+]=NCCOCCN C70235 [0,2,0,0,0,0|2,0,0]=4 84 B6R1.1 C1CCNCC1 S11730 [1,0,0,1,0,0|0,0,2]=4 85 B6R1.1 C1CCONC1 P10408 [1,0,0,1,0,0|0,1,1]=4 86 B6R1.2 C[C@H]1CCNC1 71655 [1,0,0,1,0,0|0,0,2]=4 87 B6R1.2 FC1CCCC1 T71800 [1,0,0,1,0,0|1,0,1]=4 88 B6R1.3 O=C=NC1CC1 AC8066 [1,0,0,1,0,0|0,1,0]=3 89 B6R1.4 CC1CCC1N W15200 [1,0,0,1,0,0|1,0,1]=4 90 B6R1.6 NOC1CCC1 97653 [1,0,0,1,0,0|2,0,0]=4 91 B6R1.8 CC1CC1C#N C77546 [1,0,0,1,0,0|1,0,1]=4 92 B6R1.8 CC1CC1CBr P20770 [1,0,0,1,0,0|1,0,1]=4 93 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [1,0,0,1,0,0|1,0,1]=4 94 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [1,0,0,1,0,0|1,0,1]=4 95 B6R1.8 C[C@@H]1C[C@@H]1CBr 55223 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.7 NC(=S)C1CCCC1 N13298 [0,1,0,1,0,0|1,0,1]=4 97 B8R1.35 NC(=S)NCC1CC1 AT24985 [0,1,0,1,0,0|0,0,2]=4