0 B7R0.1 C=CCCCCCCl I11994 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 C=CCCCCCO F14745 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 CNCCCCCO AT11157 [0,0,0,0,0,0|2,1,1]=4 3 B7R0.1 CNCCCCCO AT11158 [0,0,0,0,0,0|2,1,1]=4 4 B7R0.1 C\C=C/CCCCC T72919 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.1 O=CCCCCCCl 24359 [0,0,0,0,0,0|2,1,1]=4 6 B7R0.1 OCCCCCCI AT14272 [0,0,0,0,0,0|2,1,1]=4 7 B6R0.6 C#CCCCCN D76652 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.6 CCNCCSC AT25567 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.6 CCOCCNN AC6859 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.6 CCOCCON AT14482 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.6 CNCCCC#N AB10346 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.6 CNCCCOC F15969 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.6 COCCCC#N C77649 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 COCCCCN C77605 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 COCCCON AT14486 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.6 COCCN=C=O D87777 [1,0,0,0,0,0|1,1,0]=3 17 B6R0.6 CSCCN=C=S AT25553 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.6 N#CCCCCN AC2033 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.6 [2H]OCCCCC D99155 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.6 [N-]=[N+]=NCCCN F19638 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.1 CCCC[C@H](N)CCO D73273 [0,1,0,0,0,0|1,1,1]=4 22 B8R0.4 CCC#CCCCCC T72039 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.4 CNCCCCCCO AT11159 [0,1,0,0,0,0|1,1,1]=4 24 B8R0.4 ClCCCCCCCCl T71360 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.4 NCCCCCCCO AT22494 [0,1,0,0,0,0|1,1,1]=4 26 B8R0.4 [N-]=[N+]=NCCOCCN C70235 [0,1,0,0,0,0|3,0,0]=4 27 B8R0.6 C#C[C@@H](O)CCCCC 51060 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.6 C#C[C@@H](O)CCCCC T72294 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.6 CC[C@H](C)CCCCO T72651 [0,1,0,0,0,0|1,1,1]=4 30 B8R0.7 [2H][C@H](Br)CCCCCC D99523 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.7 [2H][C@H](O)CCCCCC D99646 [0,1,0,0,0,0|1,1,1]=4 32 B8R1.2 CC[C@H]1CCCCN1 N11156 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.2 CNC1CCCCC1 S12279 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.8 CCC[C@H]1CCCN1 N12832 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.8 CNCC1CCCC1 A11546 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.8 NCCC1CCCC1 23497 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.10 CNCCC1CCC1 P12905 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.11 CC[C@H]1CCNC1=O AT18851 [0,0,0,1,0,0|0,1,2]=4 39 B8R1.22 C[C@H]1CCCCCN1 AT22104 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.36 CCCCC[C@H]1CO1 T72538 [0,0,0,1,0,0|1,1,1]=4 41 B5R0.2 CCCCNN AC6660 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.2 CCCCNO AT14838 [2,0,0,0,0,0|0,1,1]=4 43 B5R0.2 [2H]OCCCC D98922 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.3 CCCC[C@H](N)CO D75114 [1,1,0,0,0,0|0,1,1]=4 45 B7R0.3 CCCC[C@H](N)CO H10583 [1,1,0,0,0,0|0,1,1]=4 46 B7R0.3 CC[C@H](O)CCC#N F51112 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.4 CCCCCC(N)=S W19000 [1,1,0,0,0,0|0,0,1]=3 48 B7R0.7 CCC[C@H](N)CCO N15481 [1,1,0,0,0,0|0,1,1]=4 49 B7R0.7 CCC[C@H](N)CCO N15482 [1,1,0,0,0,0|0,1,1]=4 50 B7R1.1 CCC1CCCC1 T71889 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.1 CC[C@H]1CCCN1 N12693 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.1 NOC1CCCC1 97656 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.1 ONC1CCCC1 33366 [1,0,0,1,0,0|0,1,1]=4 54 B7R1.1 ONC1CCCC1 33756 [1,0,0,1,0,0|0,1,1]=4 55 B7R1.3 C[C@H]1CCCCN1 N14212 [1,0,0,1,0,0|1,0,1]=4 56 B7R1.3 C[C@H]1CCCNC1 F14484 [1,0,0,1,0,0|0,0,2]=4 57 B7R1.3 S=C1CCCCC1 N16924 [1,0,0,1,0,0|0,0,1]=3 58 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [1,0,0,1,0,0|1,0,1]=4 59 B7R1.6 NNCC1CCC1 D87549 [1,0,0,1,0,0|1,0,1]=4 60 B7R1.24 C1CCCNCC1 D77224 [1,0,0,1,0,0|0,0,2]=4 61 B7R1.24 C1CCNNCC1 AB9014 [1,0,0,1,0,0|1,0,1]=4 62 B9R2.3 C1=NC[C@@H]2CCC[C@H]12 11434 [0,0,0,2,0,0|1,0,1]=4