0 B5R0.2 C#CCCC#N 10141 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.2 C(CCN)CN 8513 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.2 C(CCl)N=C=O 8994 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.2 COCCCBr 9602 [0,0,0,0,0,0|1,1,0]=2 4 B4R0.2 C#CCCO 9231 [1,0,0,0,0,0|1,0,2]=4 5 B4R0.2 C(CN)CBr 9620 [1,0,0,0,0,0|1,0,0]=2 6 B4R0.2 C(CO)CBr 8105 [1,0,0,0,0,0|1,1,0]=3 7 B4R0.2 C(CO)CI 8013 [1,0,0,0,0,0|1,1,0]=3 8 B4R0.2 C=CCCBr 5697 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.2 COCCBr 5599 [1,0,0,0,0,0|1,1,0]=3 10 B6R0.1 CCCC(=O)NN 9684 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.1 CCOC(=O)CN 10010 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.1 COC(=O)CCBr 5506 [0,1,0,0,0,0|1,1,1]=4 13 B6R0.4 C(CC(=O)O)CN 6222 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.4 CCCCC(=O)C 9447 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.4 CN(C)CCCCl 5846 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.6 C(CBr)OCCBr 6238 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.6 C(CCBr)CC#N 8151 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.6 C(CCO)CCBr 9446 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.6 C(CO)NCCO 10566 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.6 C(COCCCl)O 5879 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.6 C=CCCCCBr 5037 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.6 CCCNCCC 9551 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.6 COCCCCBr 8517 [0,1,0,0,0,0|1,1,0]=3 24 B6R1.1 C1CC=COC1 6859 [0,0,0,1,0,0|1,1,1]=4 25 B6R1.1 C1CSCCN1 6569 [0,0,0,1,0,0|2,0,0]=3 26 B6R1.1 C1CSCSC1 6870 [0,0,0,1,0,0|1,0,0]=2 27 B6R1.2 C1CC(=O)NC1 P0006 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.2 C1CC(=O)OC1 8838 [0,0,0,1,0,0|3,0,0]=4 29 B6R1.2 C1CCC(=O)C1 9600 [0,0,0,1,0,0|2,0,1]=4 30 B6R1.2 C1CCC(C1)Br 6579 [0,0,0,1,0,0|2,0,0]=3 31 B6R1.2 C1CNC(=O)N1 6785 [0,0,0,1,0,0|3,0,0]=4 32 B6R1.2 C1COCC1O 5705 [0,0,0,1,0,0|1,1,0]=3 33 B6R1.2 C1COCC1O 6234 [0,0,0,1,0,0|1,1,0]=3 34 B6R1.2 C1C[NH2+]C[C@H]1O 10482 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.6 C1CC(C1)CO 8690 [0,0,0,1,0,0|2,0,0]=3 36 B3R0.1 C#CCN 9972 [2,0,0,0,0,0|0,0,2]=4 37 B3R0.1 C(CI)F 10671 [2,0,0,0,0,0|2,0,0]=4 38 B3R0.1 C(CO)O 5930 [2,0,0,0,0,0|1,1,0]=4 39 B3R0.1 CNOC 5044 [2,0,0,0,0,0|1,1,0]=4 40 B5R0.1 CN(C)CCCl 5994 [1,1,0,0,0,0|2,0,0]=4 41 B5R0.3 C(C(CCl)O)Cl 10131 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.3 C(C(CF)O)F 9295 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.3 C(C(CO)N)O 6680 [1,1,0,0,0,0|1,1,0]=4 44 B5R0.3 C([C@H](CCl)O)O 10506 [1,1,0,0,0,0|1,1,0]=4 45 B7R0.2 C(C(CN)O)C(=O)O 8603 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.2 CN(C)CC(CO)O 8841 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.3 COC(=O)CCCBr 9868 [0,2,0,0,0,0|1,1,0]=4 48 B7R0.3 COC(=O)CCCN 8415 [0,2,0,0,0,0|0,1,0]=3 49 B7R0.5 C(CN)C(C(=O)O)N 5486 [0,2,0,0,0,0|2,0,0]=4 50 B7R0.5 C(CN)[C@@H](C(=O)O)O 6458 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.7 CCOC(=O)CCN 8696 [0,2,0,0,0,0|0,1,1]=4 52 B7R0.1 C(CCCBr)CCCl 5780 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.1 C(CCCCl)CCO 5053 [0,2,0,0,0,0|2,0,0]=4 54 B7R0.1 C(CCCO)CCN 8387 [0,2,0,0,0,0|1,0,0]=3 55 B7R0.1 C(CN)CNCCN 8496 [0,2,0,0,0,0|1,0,0]=3 56 B7R0.1 CCCCCCCBr 5952 [0,2,0,0,0,0|2,0,0]=4 57 B5R1.1 C1CCOC1 5749 [1,0,0,1,0,0|0,1,0]=3 58 B5R1.2 C1C(CN1)O 5077 [1,0,0,1,0,0|2,0,0]=4 59 B5R1.2 C1CC(=O)C1 5717 [1,0,0,1,0,0|1,0,1]=4 60 B5R1.3 C1CC1C=O 8503 [1,0,0,1,0,0|1,0,1]=4 61 B5R1.3 C1CC1CN 9710 [1,0,0,1,0,0|0,0,0]=2 62 B5R1.3 C1CC1CO 6152 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.1 C1CCC(C1)CO 8627 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.3 C1CC(CNC1)O 10421 [0,1,0,1,0,0|1,0,0]=3 65 B7R1.3 C1CCC(=O)CC1 5327 [0,1,0,1,0,0|2,0,0]=4 66 B7R1.3 C1CCC(CC1)F 8957 [0,1,0,1,0,0|2,0,0]=4 67 B7R1.3 C1CNC(=O)CN1 8468 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.3 C1CNCCC1=O 10646 [0,1,0,1,0,0|1,0,1]=4 69 B7R1.3 C1CNCCC1=O 8608 [0,1,0,1,0,0|1,0,1]=4 70 B7R1.3 C1CNCCC1F 9573 [0,1,0,1,0,0|1,0,0]=3 71 B7R1.3 C1CNCCC1O 10611 [0,1,0,1,0,0|1,0,0]=3 72 B7R1.3 C1CNCCC1O 5693 [0,1,0,1,0,0|1,0,0]=3 73 B7R1.3 C1COCCC1N 8234 [0,1,0,1,0,0|0,1,0]=3 74 B7R1.3 C1COCCC1N 9213 [0,1,0,1,0,0|0,1,0]=3 75 B7R1.3 CN1CCNCC1 9747 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.3 CN1CCNCC1 M0081 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.4 CN1CCCC1=O 5092 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.4 CN1CCCC1=O M0011 [0,1,0,1,0,0|2,0,0]=4