0 B8R0.9 COC(=O)CCC(=O)O 7118292292 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 NCC(=O)CCC(=O)O 3354642 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 C=CCSCC(=O)O 1193528 [1,0,0,0,0,0|1,0,0]=2 3 B7R0.4 CC(=O)CCCC#N 1287039 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.4 CSCCCC(=O)O 2122646 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.4 NCCCCC(=O)O 2817193 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.4 NCCSCC(=O)O 2119083 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.4 NOCCCC(=O)O 6850961 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 O=C(O)CCCCBr 22430367 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.6 CC(=O)CCC(=O)O 2825979 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.6 CC(C)SCC(=O)O 7020300467 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.6 CN(C)CCC(=O)O 1901686 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.6 NC(=O)CCC(N)=O 0125160266 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.6 O=C(O)CCC(=O)O 2826054 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.7 CS(=O)CCC(N)C(=O)O 12488930 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.7 NC(=O)CCC(N)C(=O)O 2828563 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 22430649 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.7 N[C@@H](CCC(=O)O)C(O)O 22430482 [0,1,0,0,0,0|1,0,1]=3 18 B9R0.7 O=C(O)CCC(=O)C(=O)O 2828548 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.35 O=C(O)C1CC(O)CN1 2826745 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.69 NC1CCC(=O)NC1=O 11186120 [0,0,0,1,0,0|2,0,0]=3 21 B7R0.2 CCC(N)CC(=O)O 6300639 [0,0,0,0,1,0|0,0,2]=3 22 B6R0.4 C=CCOC(=O)Cl 2826141 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 CC(=O)CCCCl 1655122 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.4 CC(=O)NCCN 1137830 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.4 CCCCC(=O)O 2825609 [2,0,0,0,0,0|0,0,1]=3 26 B6R0.4 CCCCC(C)=O 1366517 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.4 COCCC(=O)O 2816856 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.4 NC(=O)CCCCl 4787221 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 NCCCC(=O)O 2825632 [2,0,0,0,0,0|0,0,0]=2 30 B6R0.4 NCCCC(N)=O 15298719 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.4 O=C(Cl)CCCCl 2827553 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.6 C=CCNCC=C 1868919 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.6 O=CCCCC=O 2825552 [2,0,0,0,0,0|1,0,0]=3 34 B8R0.7 CCCCCCC(=O)O 2826683 [1,1,0,0,0,0|0,0,2]=4 35 B8R0.7 CCCNCCC(=O)O 3644512 [1,1,0,0,0,0|0,0,2]=4 36 B8R0.7 COCCOCC(=O)O 2826982 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.7 N#CCCNCC(=O)O 1876210 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.7 NCCCCCC(=O)O 2826759 [1,1,0,0,0,0|0,0,2]=4 39 B8R0.7 O=C(O)CCCCCBr 972804 [1,1,0,0,0,0|0,0,2]=4 40 B8R0.28 CC(=O)NCCC(=O)O 1046091 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.28 O=C(O)CNCC(=O)O 2826933 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.28 O=C(O)COCC(=O)O 2826979 [1,1,0,0,0,0|2,0,0]=4 43 B8R0.23 CC(C)C(O)CC(=O)O 1778824 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.23 CC(C)CC(N)C(=O)O 4060166 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.23 NC(=O)C[C@H](N)C(=O)O 22430423 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.23 NC(=O)C[C@H](N)C(=O)O 4800348 [1,1,0,0,0,0|1,0,1]=4 47 B10R0.98 NC(CCCC(=O)O)C(=O)O 5008584 [0,1,0,0,0,1|1,0,0]=3 48 B10R0.13 CC(=O)C(C)C(C)CC(=O)O 3670829 [0,2,0,0,0,0|1,0,1]=4 49 B8R1.4 NC1=CC(=O)CCC1 2825776 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.4 O=C1CCCC(=O)C1 2825803 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.4 O=C1CCCC(=O)O1 2825888 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.4 O=C1COCC(=O)O1 2825975 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.7 O=C(O)C1CCCC1 12405450 [1,0,0,1,0,0|0,0,2]=4 54 B8R1.7 O=C(O)C1CCCN1 1000023 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.7 O=C(O)C1CCCN1 6054636 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.7 O=C(O)C1CCCO1 2825980 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.7 O=C(O)C1CCNC1 4061127 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.7 O=C(O)[C@@H]1CCCN1 22430400 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.34 O=C(O)CC1COC1 4061087 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.18 NC1CC(=O)NC1=O 4666893 [0,0,0,1,1,0|2,0,0]=4 61 B10R1.66 O=C(O)CCC1=CC=CN1 4668011 [0,1,0,1,0,0|0,0,1]=3 62 B10R1.66 O=C(O)CCC1=CC=CO1 7118560814 [0,1,0,1,0,0|1,0,1]=4 63 B10R1.66 O=C(O)CCC1=CC=CS1 7020400395 [0,1,0,1,0,0|1,0,1]=4 64 B10R1.66 O=C(O)CCN1C=CC=C1 2265191 [0,1,0,1,0,0|2,0,0]=4 65 B6R0.2 CC(C)CC(=O)O 2825611 [1,0,0,0,1,0|1,0,1]=4 66 B6R0.3 CCC(N)C(=O)O 2825633 [0,0,0,0,2,0|0,0,2]=4 67 B6R0.3 NC(CS)C(=O)O 7216850007 [0,0,0,0,2,0|1,0,1]=4 68 B6R0.3 NC(CS)C(=O)O 7216850009 [0,0,0,0,2,0|1,0,1]=4 69 B6R0.3 N[C@@H](CO)C(=O)O 22430477 [0,0,0,0,2,0|1,0,1]=4 70 B6R0.3 O=CC(O)C(=O)O 3664128 [0,0,0,0,2,0|2,0,0]=4