0 B5R0.1 CC(C)=CC=O C07330 [0,0,0,0,0,0|1,1,2]=4 1 B5R0.1 CC(C)=CCO C01390 [0,0,0,0,0,0|1,1,2]=4 2 B5R0.1 CC(C)CC=O C07329 [0,0,0,0,0,0|1,1,1]=3 3 B5R0.1 CC(C)CCN C02640 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CC(C)CCO C07328 [0,0,0,0,0,0|1,1,1]=3 5 B5R0.1 CC(C)CNO C21369 [0,0,0,0,0,0|2,1,0]=3 6 B5R0.1 CC(C)\C=N/O C20315 [0,0,0,0,0,0|2,1,0]=3 7 B5R0.1 CC(C)\C=N\O C03219 [0,0,0,0,0,0|2,1,0]=3 8 B5R0.1 CC(O)CCO C20335 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.1 C\[N+]([O-])=N\CO C02390 [0,0,0,0,0,0|2,1,1]=4 10 B4R0.1 C(=O)C(C)O C05999 [1,0,0,0,0,0|1,1,1]=4 11 B4R0.1 C(=O)N(C)C C03134 [1,0,0,0,0,0|1,1,1]=4 12 B4R0.1 CC(C)=CCl C19206 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 CC(C)=NO C01995 [1,0,0,0,0,0|0,1,1]=3 14 B4R0.1 CC(C)C#N C02420 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 CC(C)CN C02787 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 CC(C)CO C14710 [1,0,0,0,0,0|0,1,1]=3 17 B4R0.1 CC(Cl)CCl C19034 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 CC(N)C#N C05714 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(O)CN C05771 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CC(O)CO C00583 [1,0,0,0,0,0|1,1,1]=4 21 B4R0.1 CCC(C)N C18706 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 CN(C)N=O C14704 [1,0,0,0,0,0|1,1,0]=3 23 B4R0.1 C[C@@H](O)C=O C00937 [1,0,0,0,0,0|1,1,1]=4 24 B4R0.1 C[C@@H](O)CN C03194 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 C[C@@H](O)CO C02912 [1,0,0,0,0,0|1,1,1]=4 26 B4R0.1 C[C@H](O)C=O C00424 [1,0,0,0,0,0|1,1,1]=4 27 B4R0.1 C[C@H](O)CO C02917 [1,0,0,0,0,0|1,1,1]=4 28 B4R0.1 [*]CC([*])C C19505 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 CCC=S=O C08389 [1,0,0,0,0,0|2,1,0]=4 30 B4R0.2 CCCC=O C01412 [1,0,0,0,0,0|1,1,1]=4 31 B4R0.2 CCCCO C06142 [1,0,0,0,0,0|1,1,1]=4 32 B4R0.2 CCOCC C13240 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.2 CCSCC C02272 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.1 CC[C@H](C)\C=N/O C20312 [0,1,0,0,0,0|2,1,0]=4 35 B6R0.1 CC[C@H](C)\C=N\O C19491 [0,1,0,0,0,0|2,1,0]=4 36 B6R0.2 CC(=O)CC(C)C C19263 [0,1,0,0,0,0|1,1,1]=4 37 B6R0.2 CC(C)CC(=O)O C08262 [0,1,0,0,0,0|1,1,1]=4 38 B6R0.2 CC(C)OC(=S)S C19127 [0,1,0,0,0,0|1,0,1]=3 39 B6R0.4 C(=N/OC)C(C)C C03982 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.4 CC(C)CCC=O C02373 [0,1,0,0,0,0|1,1,1]=4 41 B6R0.4 CC(C)C\C=N\O C17255 [0,1,0,0,0,0|1,1,1]=4 42 B6R1.2 CC1=NCCC1 C20808 [0,0,0,1,0,0|1,0,2]=4 43 B6R1.2 C[C@@H]1CCCN1 C20809 [0,0,0,1,0,0|1,0,2]=4 44 B6R1.5 CC1CC(=O)O1 C19201 [0,0,0,1,0,0|1,1,1]=4 45 B3R0.1 CCC=O C00479 [2,0,0,0,0,0|0,1,1]=4 46 B3R0.1 CCCC C21390 [2,0,0,0,0,0|1,0,1]=4 47 B3R0.1 CCCO C05979 [2,0,0,0,0,0|0,1,1]=4 48 B3R0.1 CCCS C08390 [2,0,0,0,0,0|0,0,2]=4 49 B3R0.1 CN=C=S C18587 [2,0,0,0,0,0|0,0,0]=2 50 B3R0.1 CNN=O C19568 [2,0,0,0,0,0|1,1,0]=4 51 B3R0.1 C\N=N\O C20306 [2,0,0,0,0,0|1,1,0]=4 52 B3R0.2 CC(C)=O C00207 [2,0,0,0,0,0|0,1,1]=4 53 B3R0.2 CC(C)N C06748 [2,0,0,0,0,0|0,0,1]=3 54 B3R0.2 CC(C)O C01845 [2,0,0,0,0,0|0,1,0]=3 55 B3R0.2 CC(C)S C08391 [2,0,0,0,0,0|0,0,1]=3 56 B3R0.2 CC(Cl)Cl C18247 [2,0,0,0,0,0|2,0,0]=4 57 B3R0.2 CC(N)=S C19302 [2,0,0,0,0,0|1,0,1]=4 58 B3R0.2 CN(C)C C00565 [2,0,0,0,0,0|1,0,1]=4 59 B3R0.2 CN(C)N C19233 [2,0,0,0,0,0|1,0,1]=4 60 B3R0.2 CS(C)=O C11143 [2,0,0,0,0,0|1,1,0]=4 61 B3R0.2 C[As](C)O C20300 [2,0,0,0,0,0|1,1,0]=4 62 B3R0.2 C[S+](C)C C01008 [2,0,0,0,0,0|1,0,1]=4 63 B3R0.2 C[Se+](C)C C18872 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.3 CCC(C)C#N C21525 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.3 CCC(C)C=O C02223 [1,1,0,0,0,0|0,1,1]=4 66 B5R0.3 CCN(C)N=O C19281 [1,1,0,0,0,0|1,1,0]=4 67 B5R0.3 CN(CO)N=O C20301 [1,1,0,0,0,0|1,1,0]=4 68 B5R0.4 C=CC(C)(C)O C21402 [1,1,0,0,0,0|1,0,1]=4 69 B5R0.4 CC(C)(O)C#N C02659 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.4 CC(C)(O)C=O C21291 [1,1,0,0,0,0|0,1,1]=4 71 B5R0.4 CC(C)(O)CO C21290 [1,1,0,0,0,0|0,1,1]=4 72 B5R0.4 CCC(C)(C)O C21401 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.4 COC(C)(C)C C11344 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.5 CC(C)C(=O)O C02632 [1,1,0,0,0,0|0,1,1]=4 75 B5R0.5 CC(C)[N+](=O)[O-] C02116 [1,1,0,0,0,0|0,1,1]=4 76 B5R0.5 CN(C)C(=S)[S-] C11223 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.5 CN(C)C(=S)[S-] C15229 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.2 C=CCN=C=S C19317 [1,1,0,0,0,0|0,0,1]=3 79 B5R1.1 C1=NCCC1 C15668 [1,0,0,1,0,0|1,0,1]=4