0 B6R0.4 CC(=C)CCC=O DA-39109 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.4 CC(=O)OCC=O DA-27942 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 CC(C)CCCCl DA-29542 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.4 CC(C)NCCCl DA-41865 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC(C)C#CO DA-23402 [1,0,0,0,0,0|0,0,3]=4 5 B5R0.1 CC(C)CC#C DA-39164 [1,0,0,0,0,0|0,0,3]=4 6 B5R0.1 CN(C)CC=O DA-27712 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.1 CN(C)CC=O DA-27713 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.1 CN(C)CC=O DA-27714 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 C\C(=C/C=O)\Br DA-32109 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.2 C=CC=CCBr DA-37930 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.2 CC(C)CC(=O)C=O DA-39138 [0,1,0,0,0,0|0,0,1]=2 12 B7R0.2 CC(C)CC(=O)CBr DA-29611 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.5 CCOC(=N)C(C)C DA-33642 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.6 CC(C#CC(=O)O)O DA-41638 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.6 CC(C)NCC(=O)N DA-27667 [0,1,0,0,0,0|1,0,1]=3 16 B7R0.6 CC(CCC(=O)O)I DA-41244 [0,1,0,0,0,0|1,0,2]=4 17 B7R1.2 C1C(C=CC1=O)O DA-39357 [0,0,0,1,0,0|1,0,0]=2 18 B7R1.2 CC1CC(=O)NN1 DA-37107 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.2 Cc1c[nH]c(=O)s1 DA-37141 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.2 Cc1ccc(s1)O DA-37079 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.2 Cn1ccc(c1)N DA-29233 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.3 C1C=CC(CO1)O DA-42425 [0,0,0,1,0,0|1,0,2]=4 23 B7R1.3 C1CC=CC(C1)N DA-26341 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.7 C1CC1CCC=O DA-34928 [0,0,0,1,0,0|0,0,2]=3 25 B6R0.1 CC(CC=C)C=O DA-25871 [1,1,0,0,0,0|0,0,2]=4 26 B6R0.2 CC(=CC(=O)N)N DA-24318 [1,1,0,0,0,0|1,0,1]=4 27 B6R0.2 C\C(=C\C(=O)C)\[O-] DA-34907 [1,1,0,0,0,0|1,0,1]=4 28 B6R0.6 CCCOCC=O DA-25689 [1,1,0,0,0,0|0,0,2]=4 29 B6R0.6 COCOCC=O DA-27663 [1,1,0,0,0,0|1,0,1]=4 30 B8R0.23 CC(C)CC(=O)C(=O)C DA-37135 [0,2,0,0,0,0|0,0,1]=3 31 B8R0.9 CC(C)CCC(=O)CBr DA-29606 [0,2,0,0,0,0|0,0,2]=4 32 B8R0.9 CC(C)NNC(=O)OC DA-28771 [0,2,0,0,0,0|2,0,0]=4 33 B8R0.9 CC(CN)CNC(=O)C DA-45920 [0,2,0,0,0,0|1,0,1]=4 34 B8R0.9 CCC(=O)NCC(C)C DA-42026 [0,2,0,0,0,0|1,0,1]=4 35 B8R0.9 CCC(C)COC(=O)Cl DA-25809 [0,2,0,0,0,0|1,0,1]=4 36 B8R0.28 CC(C)COCC(=O)O DA-28580 [0,2,0,0,0,0|0,0,2]=4 37 B8R0.28 CN(C)C=CC=[N+](C)C DA-43408 [0,2,0,0,0,0|2,0,0]=4 38 B8R0.28 CN(C)CC=CC(=O)Cl DA-22227 [0,2,0,0,0,0|1,0,0]=3 39 B8R0.28 CN(C)CC=CC(=O)O DA-39994 [0,2,0,0,0,0|1,0,0]=3 40 B8R0.29 CC(C)(C#CC(=O)O)O DA-42273 [0,2,0,0,0,0|0,0,2]=4 41 B6R1.2 Cc1ccc[nH]1 DA-25958 [1,0,0,1,0,0|1,0,1]=4 42 B6R1.4 CC1CNC1=O DA-23380 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.1 C1C(COC1=O)CO DA-34846 [0,1,0,1,0,0|1,0,1]=4 44 B8R1.1 Cn1ccc(c1)C=O DA-29229 [0,1,0,1,0,0|1,0,1]=4 45 B8R1.18 CC1C(=CC(=O)O1)O DA-39344 [0,1,0,1,0,0|1,0,0]=3 46 B8R1.51 CC1(CCC(=O)C1)C DA-24789 [0,1,0,1,0,0|0,0,2]=4 47 B8R1.3 CC1CNC(=O)CO1 DA-36000 [0,1,0,1,0,0|1,0,1]=4 48 B8R1.7 CC(c1ccon1)N DA-30613 [0,1,0,1,0,0|1,0,1]=4 49 B8R1.7 CC(c1cscn1)Cl DA-23022 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.19 CC1(CCNC1=O)C DA-24797 [0,1,0,1,0,0|0,0,2]=4 51 B8R1.35 C1CC1C#CC(=O)O DA-41532 [0,1,0,1,0,0|0,0,2]=4 52 B8R1.35 C1CC1COC(=O)Cl DA-34925 [0,1,0,1,0,0|1,0,1]=4 53 B8R1.35 CC(=O)C#CC1CC1 DA-39480 [0,1,0,1,0,0|0,0,2]=4 54 B8R1.72 CC1(CC=CCO1)C DA-41547 [0,1,0,1,0,0|0,0,2]=4 55 B8R1.23 CC(C)C1CC(=O)N1 DA-39277 [0,1,0,1,0,0|0,0,2]=4