0 B5R0.5 C=C(C(=O)O)F DA-28919 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.5 CC(C)C(=N)N DA-25790 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 CC(C(=O)OC)I DA-32957 [0,1,0,0,0,0|1,0,0]=2 3 B6R0.3 CCC(C(=O)N)Cl DA-26397 [0,1,0,0,0,0|2,0,0]=3 4 B6R0.3 COC(=O)C(=S)N DA-41073 [0,1,0,0,0,0|1,1,1]=4 5 B6R0.7 C(=O)(C(F)(F)F)O DA-38928 [0,1,0,0,0,0|2,0,0]=3 6 B6R0.7 CC(C)(C)C(=N)N DA-27472 [0,1,0,0,0,0|3,0,0]=4 7 B6R1.4 CC1CNC1=O DA-23380 [0,0,0,1,0,0|2,0,0]=3 8 B6R0.2 CC(=CC(=O)N)N DA-24318 [0,0,0,0,0,1|2,0,1]=4 9 B6R0.2 C\C(=C\C(=O)C)\[O-] DA-34907 [0,0,0,0,0,1|1,0,2]=4 10 B5R0.1 C(C(=O)O)NN DA-26159 [1,1,0,0,0,0|1,0,0]=3 11 B5R0.1 C(CO)C(N)O DA-29834 [1,1,0,0,0,0|1,0,1]=4 12 B5R0.1 CC#CC(C)O DA-23259 [1,1,0,0,0,0|1,0,1]=4 13 B5R0.1 CC(=O)CCN DA-21357 [1,1,0,0,0,0|1,0,0]=3 14 B5R0.1 CC(C)C#CO DA-23402 [1,1,0,0,0,0|1,0,1]=4 15 B5R0.1 CN(C)CC=O DA-27712 [1,1,0,0,0,0|2,0,0]=4 16 B5R0.1 CN(C)CC=O DA-27713 [1,1,0,0,0,0|2,0,0]=4 17 B5R0.1 CN(C)CC=O DA-27714 [1,1,0,0,0,0|2,0,0]=4 18 B5R0.1 C\C(=C/C=O)\Br DA-32109 [1,1,0,0,0,0|1,0,1]=4 19 B5R0.3 C(C(=O)C=O)Cl DA-23845 [1,1,0,0,0,0|0,0,2]=4 20 B5R0.3 CN(C=O)OC DA-42814 [1,1,0,0,0,0|1,0,0]=3 21 B5R0.4 CC(C)(CO)F DA-26205 [1,1,0,0,0,0|1,0,1]=4 22 B5R0.4 CC(C)(CO)O DA-42092 [1,1,0,0,0,0|0,0,1]=3 23 B5R0.4 CC(C=O)(Cl)Cl DA-27513 [1,1,0,0,0,0|1,0,0]=3 24 B7R0.2 CC(C)CC(=O)C=O DA-39138 [0,1,0,0,0,1|1,0,1]=4 25 B7R0.2 CC(C)CC(=O)CBr DA-29611 [0,1,0,0,0,1|2,0,0]=4 26 B7R0.5 C#CCC(C(=O)O)O DA-26130 [0,2,0,0,0,0|0,0,0]=2 27 B7R0.5 C(CBr)C(C(=O)Br)Br DA-27326 [0,2,0,0,0,0|2,0,0]=4 28 B7R0.5 CCNC(=O)C(=O)O DA-27699 [0,2,0,0,0,0|0,0,2]=4 29 B7R0.5 CCOC(=N)C(C)C DA-33642 [0,2,0,0,0,0|2,0,0]=4 30 B7R0.5 CN(C)C(=O)CON DA-45503 [0,2,0,0,0,0|2,0,0]=4 31 B7R0.10 CC(C#C)C(=O)OC DA-32932 [0,2,0,0,0,0|1,0,0]=3 32 B7R0.10 COC(C(=O)OC)Cl DA-33008 [0,2,0,0,0,0|1,0,0]=3 33 B7R0.10 C[C@@H](C(=O)OC)NC DA-47787 [0,2,0,0,0,0|1,0,0]=3 34 B7R0.13 CC(C)(CO)C(=S)N DA-23571 [0,2,0,0,0,0|1,1,0]=4 35 B7R0.14 CC(C)(C)S(=O)OC DA-32929 [0,2,0,0,0,0|2,0,0]=4 36 B7R0.15 CCC(C=C)C(=O)O DA-26255 [0,2,0,0,0,0|1,0,0]=3 37 B5R1.2 C1COC1N DA-25746 [1,0,0,1,0,0|1,0,1]=4 38 B7R1.2 C1C(C=CC1=O)O DA-39357 [0,0,0,1,0,1|1,0,1]=4 39 B7R1.2 CC1CC(=O)NN1 DA-37107 [0,0,0,1,0,1|2,0,0]=4 40 B7R1.12 C=C1CC1C(=O)O DA-25803 [0,0,0,1,0,1|1,0,1]=4 41 B7R1.12 CC1CC1C(=O)N DA-25804 [0,0,0,1,0,1|2,0,0]=4 42 B7R1.20 C1CC1NC(=O)Cl DA-41779 [0,0,0,1,0,1|2,0,0]=4 43 B7R1.20 CC(=O)NC1CC1 DA-42871 [0,0,0,1,0,1|2,0,0]=4 44 B7R1.4 C1[C@H]([C@H](CN1)O)O DA-34970 [0,1,0,1,0,0|1,0,1]=4 45 B7R1.19 C1CC1(C(=O)N)O DA-29312 [0,1,0,1,0,0|1,0,0]=3 46 B7R1.19 CC(=O)C1(CC1)C DA-31600 [0,1,0,1,0,0|2,0,0]=4 47 B7R0.6 CC(C#CC(=O)O)O DA-41638 [0,0,0,0,0,2|0,0,0]=2 48 B7R0.6 CC(C)NCC(=O)N DA-27667 [0,0,0,0,0,2|2,0,0]=4 49 B7R0.6 CC(CCC(=O)O)I DA-41244 [0,0,0,0,0,2|1,0,0]=3