0 B6R0.1 CCCC(=O)NN 9684 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CCOC(=O)CN 10010 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 COC(=O)CCBr 5506 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CN(C)CCCl 5994 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.2 C(CCN)CN 8513 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.2 COCCCBr 9602 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.3 C(C(CCl)O)Cl 10131 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.3 C(C(CF)O)F 9295 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.3 C(C(CO)N)O 6680 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.3 C([C@H](CCl)O)O 10506 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.2 C(C(CN)O)C(=O)O 8603 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.2 CN(C)CC(CO)O 8841 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.2 C[C@H](CC(=O)OC)O 6807 [0,1,0,0,0,0|1,0,2]=4 13 B7R0.3 COC(=O)CCCBr 9868 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.3 COC(=O)CCCN 8415 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.5 C(CN)[C@@H](C(=O)O)O 6458 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.5 CCOC(=O)[C@H](C)O 9449 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.7 CCOC(=O)CCN 8696 [0,1,0,0,0,0|1,0,2]=4 18 B7R1.1 C1CCC(C1)CO 8627 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.3 C1CC(CNC1)O 10421 [0,0,0,1,0,0|1,0,0]=2 20 B7R1.3 C1CC=CC(C1)Br 8970 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.3 C1CCC(=O)CC1 5327 [0,0,0,1,0,0|0,0,2]=3 22 B7R1.3 C1CCC(CC1)F 8957 [0,0,0,1,0,0|1,0,0]=2 23 B7R1.3 C1CNCCC1=O 10646 [0,0,0,1,0,0|1,0,2]=4 24 B7R1.3 C1CNCCC1=O 8608 [0,0,0,1,0,0|1,0,2]=4 25 B7R1.3 C1CNCCC1F 9573 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.3 C1CNCCC1O 10611 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.3 C1CNCCC1O 5693 [0,0,0,1,0,0|1,0,0]=2 28 B7R1.3 C1COCCC1=O 9746 [0,0,0,1,0,0|1,0,2]=4 29 B7R1.3 C1COCCC1N 8234 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.3 C1COCCC1N 9213 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.3 CN1CCNCC1 9747 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.3 CN1CCNCC1 M0081 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.4 CC1C(=O)CCO1 10277 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.4 CN1CCCC1=O 5092 [0,0,0,1,0,0|1,0,2]=4 35 B7R1.4 CN1CCCC1=O M0011 [0,0,0,1,0,0|1,0,2]=4 36 B4R0.1 B(CC)(O)O 5199 [2,0,0,0,0,0|2,0,0]=4 37 B4R0.1 CC(CO)N 6831 [2,0,0,0,0,0|2,0,0]=4 38 B4R0.1 C[C@H](CO)N 5724 [2,0,0,0,0,0|2,0,0]=4 39 B4R0.2 C#CCCO 9231 [2,0,0,0,0,0|0,0,2]=4 40 B4R0.2 C(CN)CBr 9620 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.2 C(CO)CBr 8105 [2,0,0,0,0,0|1,0,0]=3 42 B4R0.2 C(CO)CI 8013 [2,0,0,0,0,0|1,0,0]=3 43 B4R0.2 COCCBr 5599 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.2 B(CC(C)C)(O)O 8277 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.4 C(CC(=O)O)CN 6222 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.4 CCCCC(=O)C 9447 [1,1,0,0,0,0|0,0,2]=4 47 B6R0.4 CN(C)CCCCl 5846 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.6 C(CBr)OCCBr 6238 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.6 C(CCBr)CC#N 8151 [1,1,0,0,0,0|1,0,1]=4 50 B6R0.6 C(CCO)CCBr 9446 [1,1,0,0,0,0|1,0,0]=3 51 B6R0.6 C(CO)NCCO 10566 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.6 C(COCCCl)O 5879 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.6 C=CCCCCBr 5037 [1,1,0,0,0,0|0,0,2]=4 54 B6R0.6 CCCNCCC 9551 [1,1,0,0,0,0|0,0,0]=2 55 B6R0.6 COCCCCBr 8517 [1,1,0,0,0,0|1,0,0]=3 56 B6R0.9 CCN(CC)CC 5152 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.9 COC(CN)OC 8103 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.5 CCOC(=O)C[C@@H](C)O 8509 [0,2,0,0,0,0|0,0,2]=4 59 B8R0.16 CC(=O)CC(OC)OC 8052 [0,2,0,0,0,0|1,0,1]=4 60 B8R0.11 COC(CCC#N)OC 8527 [0,2,0,0,0,0|1,0,1]=4 61 B8R0.22 CCOC(CN)OCC 8695 [0,2,0,0,0,0|2,0,0]=4 62 B6R1.2 C1CC(=O)OC1 8838 [1,0,0,1,0,0|1,0,1]=4 63 B6R1.2 C1CCC(=O)C1 9600 [1,0,0,1,0,0|0,0,2]=4 64 B6R1.2 C1CCC(C1)Br 6579 [1,0,0,1,0,0|1,0,0]=3 65 B6R1.2 C1COCC1O 5705 [1,0,0,1,0,0|1,0,0]=3 66 B6R1.2 C1COCC1O 6234 [1,0,0,1,0,0|1,0,0]=3 67 B6R1.2 C1C[NH2+]C[C@H]1O 10482 [1,0,0,1,0,0|1,0,0]=3 68 B6R1.1 C1CSCCN1 6569 [1,0,0,1,0,0|2,0,0]=4 69 B6R1.1 C1CSCSC1 6870 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.6 C1CC(C1)CO 8690 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.4 CC1CCCC(N1)C 10243 [0,1,0,1,0,0|1,0,0]=3 72 B8R1.2 C1CCNC(C1)CO 6795 [0,1,0,1,0,0|1,0,0]=3 73 B8R1.2 C1CCOC(C1)ON 10111 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.2 C1CNCCC1CO 10405 [0,1,0,1,0,0|1,0,0]=3 75 B8R1.2 C1COCCC1CN 6624 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.3 C1C(SCC(S1)O)O 6583 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.3 C1CC(=O)CCC1O 10634 [0,1,0,1,0,0|0,0,1]=3 78 B8R1.3 C1[C@@H](CC[C@H](C1)O)N 5467 [0,1,0,1,0,0|0,0,0]=2 79 B8R1.3 CN1CCC(=O)CC1 6766 [0,1,0,1,0,0|0,0,2]=4 80 B8R1.3 CN1CCC(=O)CC1 M0015 [0,1,0,1,0,0|0,0,2]=4 81 B8R1.3 CN1CCC(CC1)Cl 6673 [0,1,0,1,0,0|1,0,0]=3 82 B8R1.3 CN1CCC(CC1)O 5494 [0,1,0,1,0,0|0,0,0]=2 83 B8R1.5 C1CC[C@H]([C@@H](C1)N)N 8637 [0,1,0,1,0,0|1,0,0]=3 84 B8R1.72 C1CNCCC1(F)F 9270 [0,1,0,1,0,0|2,0,0]=4