0 B8R0.23 CC(C)CC(=O)C(=O)C DA-37135 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.2 CC(C)CC(=O)C=O DA-39138 [1,0,0,0,0,0|0,0,0]=1 2 B7R0.2 CC(C)CC(=O)CBr DA-29611 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.5 CCCN(C)C(=O)Cl DA-42245 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.5 CCNC(=O)C(=O)O DA-27699 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.5 CN(C)C(=O)CCCl DA-23719 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.6 CC(C)NCC(=O)N DA-27667 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.6 CC(CCC(=O)O)I DA-41244 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.11 CC(C)CC(C)(C(=O)O)O DA-26148 [0,1,0,0,0,0|1,0,2]=4 9 B9R0.57 CC(C)(C)OC(=O)C(=O)O DA-31838 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.57 CC(C)(C)OC(=O)N(C)C DA-41427 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.57 CC(C)(C)OC(=O)N(C)O DA-43359 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.69 CN1CC(CCC1=O)N DA-38066 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.164 CC1(CC(C1)C(=O)Cl)C DA-24792 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.164 CC1(CC(C1)C(=O)N)C DA-24791 [0,0,0,1,0,0|2,0,1]=4 15 B7R0.16 CC(=C(N(C)C)Cl)C DA-29502 [0,0,0,0,1,0|3,0,0]=4 16 B7R0.16 CC(=O)C(=O)N(C)C DA-43378 [0,0,0,0,1,0|1,0,0]=2 17 B7R0.16 CC(C)C(=O)C(C)Br DA-26835 [0,0,0,0,1,0|1,0,1]=3 18 B9R0.7 CC(C)COC(=O)C(C)Br DA-33518 [0,0,0,0,0,1|1,0,1]=3 19 B9R0.53 CC(C)CC(=O)OC(C)C DA-33481 [0,0,0,0,0,1|1,0,1]=3 20 B9R0.53 CC(C)CC(=O)OC(C)Cl DA-29506 [0,0,0,0,0,1|1,0,1]=3 21 B6R0.1 CCNC(=O)OC DA-41968 [2,0,0,0,0,0|2,0,0]=4 22 B8R0.5 CC(C)OC(=O)COC DA-33490 [1,1,0,0,0,0|1,0,1]=4 23 B8R0.19 CC(CC(=O)OC)CBr DA-23140 [1,1,0,0,0,0|1,0,0]=3 24 B8R0.3 CCCC(=O)C(=O)CC DA-24673 [1,1,0,0,0,0|0,0,0]=2 25 B8R0.9 CC(=O)OCC(CCl)O DA-23853 [1,1,0,0,0,0|2,0,0]=4 26 B8R0.9 CC(C)CCC(=O)CBr DA-29606 [1,1,0,0,0,0|0,0,1]=3 27 B8R0.9 CC(C)NNC(=O)OC DA-28771 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.9 CC(CCC(=O)OC)I DA-40744 [1,1,0,0,0,0|1,0,1]=4 29 B8R0.9 CC(CN)CNC(=O)C DA-45920 [1,1,0,0,0,0|1,0,0]=3 30 B8R0.9 CCC(=O)NCC(C)C DA-42026 [1,1,0,0,0,0|1,0,0]=3 31 B8R0.9 CCC(C)COC(=O)Cl DA-25809 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.27 CC(C(=O)C(C)(C)C)Br DA-39967 [0,1,0,0,1,0|1,0,1]=4 33 B10R0.31 CC(C)OC(=O)CC(C)(C)C DA-33485 [0,1,0,0,0,1|1,0,1]=4 34 B8R1.4 CC1CCCC(=O)O1 DA-41276 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.4 CN1CCCC(=O)C1 DA-29192 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.18 CN1CC(CC1=O)N DA-21489 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.51 CC1(CCC(=O)C1)C DA-24789 [1,0,0,1,0,0|0,0,1]=3 38 B8R1.83 CC1C(O1)C(=O)OC DA-32664 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.13 CCCC1CCC1=O DA-25683 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.54 CC(C(=O)C1CC1)Br DA-26914 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.3 CC1=CCC(CC1)N DA-42007 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.3 CC1CNC(=O)CO1 DA-36000 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.35 C1CC1COC(=O)Cl DA-34925 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.35 CC(=O)C#CC1CC1 DA-39480 [1,0,0,1,0,0|0,0,2]=4 45 B10R1.147 CC1(CCC(=O)C(=C1)I)C DA-26098 [0,0,0,1,0,1|1,0,1]=4 46 B10R1.59 CC(=O)N1CC(OC1=O)Cl DA-24360 [0,0,0,1,0,1|2,0,0]=4 47 B10R1.59 CC1CC(C(=O)O1)C(=O)O DA-43036 [0,0,0,1,0,1|2,0,0]=4 48 B10R1.268 C1CC1NC(=O)CC(=O)O DA-24934 [0,0,0,1,0,1|2,0,0]=4 49 B10R1.329 CC1(CC(CC(=O)C1)N)C DA-38028 [0,0,0,1,0,1|1,0,1]=4 50 B10R1.30 C1CC(=C(CC1O)C=O)Cl DA-26467 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.31 CC(=O)N1CCC(C1)CN DA-29955 [0,1,0,1,0,0|2,0,0]=4 52 B8R0.28 CC(C)COCC(=O)O DA-28580 [1,0,0,0,0,1|1,0,1]=4 53 B8R0.28 CN(C)CC=CC(=O)Cl DA-22227 [1,0,0,0,0,1|2,0,0]=4 54 B8R0.28 CN(C)CC=CC(=O)O DA-39994 [1,0,0,0,0,1|2,0,0]=4