0 B7R0.1 CCCCCON=O M19466 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.1 CCCSSCCC M24629 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 COCCOCCBr M26972 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 CSCCCN=C=S M21152 [0,0,0,0,0,0|2,1,1]=4 4 B7R0.1 NCCCNCCS M29602 [0,0,0,0,0,0|2,1,1]=4 5 B6R0.6 CCCCCCO M29392 [1,0,0,0,0,0|0,0,1]=2 6 B6R0.6 CCCCN=C=S M24585 [1,0,0,0,0,0|1,1,1]=4 7 B6R0.6 CCC\C=C\C=O M21392 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.6 CC\C=C/CCO M27539 [1,0,0,0,0,0|0,0,3]=4 9 B6R0.6 COCCCCO M22101 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.6 ClCCNCCCl M16053 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.6 N#CCCCCCl M27271 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.6 NCCCCCN M19735 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.6 OCCNCCO M19680 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 OCCSCCO M10422 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.4 NCCCCCCCN M21554 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.4 NCCCNCCCN M19708 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.7 CC(=O)NCCCCN M20805 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.7 CCCCCCC(=O)O M19552 [0,1,0,0,0,0|0,0,0]=1 19 B8R0.7 N=C(N)NCCCCN M19581 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.7 NCCCCCC(=O)O M15254 [0,1,0,0,0,0|1,0,0]=2 21 B8R1.2 O=NN1CCOCC1 M28324 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.5 CC1CCCCC1=O M28092 [0,0,0,1,0,0|0,0,0]=1 23 B8R1.5 NC1CCCNC1=O M26537 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.5 O[C@@H]1CCCC[C@H]1O M19563 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.11 C=CN1CCCC1=O M24928 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.22 O=C1CCCCCN1 M27265 [0,0,0,1,0,0|1,0,0]=2 27 B5R0.2 CCCSSC M28231 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.2 NCCCCN M19711 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.4 CCCCCC(=O)O M19562 [1,1,0,0,0,0|0,0,0]=2 30 B7R0.4 CCCCCC(C)N M10956 [1,1,0,0,0,0|0,0,1]=3 31 B7R0.4 CCCCCC(C)O M28052 [1,1,0,0,0,0|0,0,1]=3 32 B7R0.4 NCCCCC(=O)O M19658 [1,1,0,0,0,0|1,0,0]=3 33 B9R0.2 CC(=O)NCCCCCN M19992 [0,2,0,0,0,0|1,0,0]=3 34 B9R0.2 CCCCCCCC(=O)O M19558 [0,2,0,0,0,0|0,0,0]=2 35 B9R0.2 CCCCCNCC(N)=O M28420 [0,2,0,0,0,0|0,0,0]=2 36 B9R0.2 CCCCC\C=C\C(=O)O M20010 [0,2,0,0,0,0|0,0,1]=3 37 B9R0.45 NCCCCNCCCN M19710 [0,2,0,0,0,0|1,0,1]=4 38 B9R0.45 NCCCCNCCCN M19880 [0,2,0,0,0,0|1,0,1]=4 39 B9R0.45 [N-]=[N+]=NCCCCCCO M28206 [0,2,0,0,0,0|2,0,0]=4 40 B9R0.1 COC(=O)CCCC(=O)O M19568 [0,2,0,0,0,0|1,0,1]=4 41 B9R0.47 CCCCCC(C)C(=O)O M21372 [0,2,0,0,0,0|0,0,0]=2 42 B9R0.47 CCSCC[C@H](N)C(=O)O M23462 [0,2,0,0,0,0|1,0,0]=3 43 B9R0.47 NCCCCC(N)C(=O)O M18826 [0,2,0,0,0,0|1,0,0]=3 44 B9R0.47 NCCCC[C@H](N)C(=O)O M21400 [0,2,0,0,0,0|1,0,0]=3 45 B9R0.55 CC(=O)NCCCC(=O)O M19755 [0,2,0,0,0,0|1,0,1]=4 46 B9R0.55 O=C(O)CCCCC(=O)O M10971 [0,2,0,0,0,0|1,0,1]=4 47 B9R0.55 O=C(O)CCCCC(=O)O M20645 [0,2,0,0,0,0|1,0,1]=4 48 B7R1.3 NN1CCCCC1 M15389 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.3 O=C1CCCCO1 M19622 [1,0,0,1,0,0|1,0,0]=3 50 B7R1.4 CC1OCCC1=O M21390 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.4 CN1CCCC1=O M28477 [1,0,0,1,0,0|1,0,0]=3 52 B7R1.4 NC1CCSC1=O M20597 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.8 CCCC1CCCCN1 M23697 [0,1,0,1,0,0|1,0,1]=4 54 B9R1.6 O=C(O)C1CCCCC1 M20308 [0,1,0,1,0,0|0,0,0]=2 55 B9R1.6 O=C(O)C1CCCCN1 M19618 [0,1,0,1,0,0|1,0,0]=3 56 B9R1.6 O=C(O)C1CCNCC1 M27557 [0,1,0,1,0,0|1,0,0]=3 57 B9R1.6 O=C(O)[C@@H]1CCCCN1 M19590 [0,1,0,1,0,0|1,0,0]=3 58 B9R1.41 CN1CCC[C@H]1C(=O)O M28313 [0,1,0,1,0,0|1,0,0]=3