0 B7R0.4 CC(C)CSCCN AT25570 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 CC(C)OCCON AT14483 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.4 CN(C)CCCCN V10255 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CN(C)CCN=[N+]=[N-] AC9812 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.4 C#CCCN(C)C AC9551 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.4 CC(C)CCNN AC3937 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.4 CC(C)OCCS AT13760 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.4 CN(C)CCNN W16036 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.4 C[C@H](N)CCCO AT20758 [1,0,0,0,0,0|1,1,1]=4 9 B6R0.4 C[C@H](O)CCC#N F51113 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 C[C@H](O)CCCBr A11305 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.4 C[C@H](O)CCCN AT20756 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 FC(F)CN=C=S AT25466 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.6 COCCN=C=O D87777 [1,0,0,0,0,0|1,1,0]=3 14 B6R0.6 CSCCN=C=S AT25553 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.6 [2H]OCCCCC D99155 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.6 [N-]=[N+]=NCCCN F19638 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.6 CC[C@H](C)CCCCO T72651 [0,1,0,0,0,0|1,1,1]=4 18 B8R0.8 CCCC[C@H](C)C(C)C T70746 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.9 CC(C)CC[C@H](N)CO AT16865 [0,1,0,0,0,0|1,1,1]=4 20 B8R0.28 C=C(C)CCCC(C)C T70747 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [0,1,0,0,0,0|1,1,1]=4 22 B8R0.28 CN(C)CCNC(N)=S AT25002 [0,1,0,0,0,0|1,0,2]=4 23 B8R1.4 CC1CCNC(C)C1 D87679 [0,0,0,1,0,0|1,0,2]=4 24 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,0,0,1,0,0|1,1,1]=4 25 B8R1.7 CC(C)C1CCCC1 T72412 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.7 CC(C)[C@@H]1CCCN1 P10941 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.7 CC(C)[C@@H]1CCCN1 P12433 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.19 CC1(C)CCC[C@@H]1N P20914 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.34 CC(C)CC1CNC1 E71784 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.72 CC1(C)CCCCN1 AT24213 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.72 CC1(C)CCCNC1 F30179 [0,0,0,1,0,0|3,0,0]=4 32 B5R0.1 CC(C)CNN AR2531 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.1 CC(C)\C=N\O D77551 [2,0,0,0,0,0|0,1,1]=4 34 B5R0.1 CCC[C@H](C)N N10856 [2,0,0,0,0,0|1,0,1]=4 35 B5R0.1 CCC[C@H](C)N N15476 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.1 CN(C)CCBr F20843 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.1 C[C@H](N)CCO 83613 [2,0,0,0,0,0|1,1,0]=4 38 B5R0.1 C[C@H](N)CCO 83649 [2,0,0,0,0,0|1,1,0]=4 39 B5R0.1 C[C@H](O)CCN D77181 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.1 C[C@H](O)CCN D77194 [2,0,0,0,0,0|1,0,1]=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 B7R0.2 CC(C)C[C@H](N)C#N AC6684 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.2 CC(C)C[C@H](N)C#N AC7744 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.5 CC(C)[C@@H](N)CCO F53378 [1,1,0,0,0,0|0,1,1]=4 47 B7R0.5 CC(C)[C@@H](N)CCO F53539 [1,1,0,0,0,0|0,1,1]=4 48 B7R0.5 CC(C)[C@@H](N)CCO F53816 [1,1,0,0,0,0|0,1,1]=4 49 B7R0.5 CC(C)[C@@H](O)CON AT14521 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.5 COC[C@H](N)C(C)C 71787 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.6 CC(C)CC[C@H](C)N C11213 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.8 COCCC(C)(C)N D75145 [1,1,0,0,0,0|1,0,1]=4 53 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.3 C[C@H]1CCCNC1 F14484 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.23 CC1(C)C[C@@H]1CN 69322 [1,0,0,1,0,0|1,0,1]=4 56 B7R1.23 CC1(C)C[C@@H]1CN AT12868 [1,0,0,1,0,0|1,0,1]=4