0 B6R0.1 CCCC(=O)NN 9684 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.1 CCOC(=O)C=O 6826 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.1 CCOC(=O)CN 10010 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.1 COC(=O)CCBr 5506 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.1 C(C#N)C(=O)N 6851 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.2 COCCCBr 9602 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.3 C(C(=O)CCl)Cl D0044 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.2 C[C@H](CC(=O)OC)O 6807 [0,1,0,0,0,0|1,0,0]=2 8 B7R0.3 COC(=O)CCCBr 9868 [0,1,0,0,0,0|1,0,0]=2 9 B7R0.3 COC(=O)CCCN 8415 [0,1,0,0,0,0|1,0,0]=2 10 B7R0.5 CCOC(=O)[C@H](C)O 9449 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.7 CCOC(=O)CCN 8696 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.10 COC(=O)C(=C)CO 8095 [0,1,0,0,0,0|2,0,1]=4 13 B7R1.2 C1CC(=O)CC1=O 5093 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.3 C1CCC(=O)CC1 5327 [0,0,0,1,0,0|2,0,0]=3 15 B7R1.3 C1CNC(=O)CN1 8468 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.3 C1CNCCC1=O 10646 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.3 C1CNCCC1=O 8608 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.3 C1COCCC1=O 9746 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.4 CC1C(=O)CCO1 10277 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.4 CN1CCCC1=O 5092 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.4 CN1CCCC1=O M0011 [0,0,0,1,0,0|2,0,0]=3 22 B4R0.1 B(CC)(O)O 5199 [2,0,0,0,0,0|1,0,1]=4 23 B4R0.1 C(C(=O)N)Br 9173 [2,0,0,0,0,0|2,0,0]=4 24 B4R0.1 C(C(=O)N)Cl 6815 [2,0,0,0,0,0|2,0,0]=4 25 B4R0.1 C(C(=O)N)N 5258 [2,0,0,0,0,0|2,0,0]=4 26 B4R0.1 C(C(=O)O)Cl 8290 [2,0,0,0,0,0|1,0,0]=3 27 B4R0.1 C(C(=O)O)O G0026 [2,0,0,0,0,0|0,1,0]=3 28 B4R0.1 CCC(=O)N 8889 [2,0,0,0,0,0|1,0,0]=3 29 B4R0.1 CCS(=O)[O-] 8969 [2,0,0,0,0,0|1,0,1]=4 30 B4R0.2 COCCBr 5599 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.2 CC(=CC(=O)O)C 9276 [1,1,0,0,0,0|1,0,1]=4 32 B6R0.2 CN(C)CC(=O)O 5083 [1,1,0,0,0,0|1,0,0]=3 33 B6R0.3 C(C(C(=O)O)Br)Br 6758 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.3 C(C(C(=O)O)N)O 6847 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.3 C(C(C(=O)O)N)O 8529 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.3 C([C@@H](C(=O)O)N)S 6874 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.4 C(CC(=O)O)CN 6222 [1,1,0,0,0,0|1,0,0]=3 38 B6R0.4 C=CCCC(=O)O 5031 [1,1,0,0,0,0|1,0,1]=4 39 B6R0.4 CCCCC(=O)C 9447 [1,1,0,0,0,0|1,0,0]=3 40 B6R0.6 COCCCCBr 8517 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.5 CCOC(=O)C[C@@H](C)O 8509 [0,2,0,0,0,0|1,0,0]=3 42 B8R0.5 CCOC(=O)C[N+](=O)[O-] 5178 [0,2,0,0,0,0|2,0,0]=4 43 B8R0.19 CCC(=O)CC(=O)OC 10093 [0,2,0,0,0,0|1,0,0]=3 44 B8R0.3 CCOC(=O)C(CO)N 8074 [0,2,0,0,0,0|2,0,0]=4 45 B8R0.9 COC(=O)CCC(=O)O 5776 [0,2,0,0,0,0|1,0,1]=4 46 B6R1.2 C1CC(=O)C=C1 9804 [1,0,0,1,0,0|1,0,1]=4 47 B6R1.2 C1CC(=O)NC1 P0006 [1,0,0,1,0,0|2,0,0]=4 48 B6R1.2 C1CC(=O)OC1 8838 [1,0,0,1,0,0|1,0,0]=3 49 B6R1.2 C1CCC(=O)C1 9600 [1,0,0,1,0,0|1,0,0]=3 50 B6R1.1 C1CC=COC1 6859 [1,0,0,1,0,0|1,0,1]=4 51 B6R1.1 C1CSCCN1 6569 [1,0,0,1,0,0|1,0,1]=4 52 B6R1.1 C1CSCSC1 6870 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.4 C1CC(=O)CC(=O)C1 10153 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.4 C1CNC(=O)CC1=O 9532 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.3 C1CC(=O)CCC1O 10634 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.3 CN1CCC(=O)CC1 6766 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.3 CN1CCC(=O)CC1 M0015 [0,1,0,1,0,0|2,0,0]=4