0 B9R1.35 NC(=O)C1CNC(=O)C1 5008540 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 NC1=NN=C(C(=O)O)N1 2216455 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 O=C(O)C1CC(O)CN1 2826745 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 O=C1CC(C(=O)O)NN1 3665879 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.1 O=C1CC(CO)CN1 5009764 [1,0,0,0,0,0|2,0,1]=4 5 B8R1.1 O=C1OCC(CO)O1 22430561 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.7 NC(=O)C1CCCC1 2825858 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.7 NC(=O)C1CCCN1 12491302 [1,0,0,0,0,0|1,0,1]=3 8 B8R1.7 O=C(O)C1=CC=CN1 2825772 [1,0,0,0,0,0|0,0,3]=4 9 B8R1.7 O=C(O)C1CCCC1 12405450 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.7 O=C(O)C1CCCN1 1000023 [1,0,0,0,0,0|0,0,1]=2 11 B8R1.7 O=C(O)C1CCCN1 6054636 [1,0,0,0,0,0|0,0,1]=2 12 B8R1.7 O=C(O)C1CCCO1 2825980 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.7 O=C(O)C1CCNC1 4061127 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.7 O=C(O)C1CSCN1 1051748 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.7 O=C(O)C1NCCS1 6849788 [1,0,0,0,0,0|1,0,1]=3 16 B8R1.7 O=C(O)[C@@H]1CCCN1 22430400 [1,0,0,0,0,0|0,0,1]=2 17 B10R1.58 CN1CC(C(=O)O)CC1=O 1056570 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 7018890424 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.8 CCCCC(Br)C(=O)O 2960273 [0,0,1,0,0,0|2,0,1]=4 20 B8R0.8 CCCCC(N)C(=O)O 2826762 [0,0,1,0,0,0|1,0,1]=3 21 B8R0.8 CSCCC(N)C(=O)O 2829008 [0,0,1,0,0,0|2,0,0]=3 22 B8R0.9 CCC(=O)NCC(=O)O 1045425 [0,0,1,0,0,0|0,0,0]=1 23 B8R0.9 COC(=O)CCC(=O)Cl 1051701 [0,0,1,0,0,0|3,0,0]=4 24 B8R0.9 COC(=O)CCC(=O)O 7118292292 [0,0,1,0,0,0|2,0,0]=3 25 B8R0.9 COC(=O)CCC(C)=O 1705437 [0,0,1,0,0,0|3,0,0]=4 26 B8R0.9 COC(=O)NCC(C)=O 6704366 [0,0,1,0,0,0|2,0,0]=3 27 B8R0.9 COC(=O)NCC(C)O 2422677 [0,0,1,0,0,0|2,0,1]=4 28 B8R0.9 NCC(=O)CCC(=O)O 3354642 [0,0,1,0,0,0|2,0,0]=3 29 B8R0.9 NCC(=O)NCC(=O)O 2826850 [0,0,1,0,0,0|1,0,0]=2 30 B8R0.23 CC(=O)CC(N)C(=O)O 4060175 [0,0,1,0,0,0|2,0,0]=3 31 B8R0.23 NC(=O)C[C@H](N)C(=O)O 22430423 [0,0,1,0,0,0|3,0,0]=4 32 B8R0.23 NC(=O)C[C@H](N)C(=O)O 4800348 [0,0,1,0,0,0|3,0,0]=4 33 B8R0.23 NC(CC(=O)O)C(=O)O 2826934 [0,0,1,0,0,0|3,0,0]=4 34 B8R0.23 O=C(O)CC(O)C(=O)O 2826980 [0,0,1,0,0,0|3,0,0]=4 35 B8R0.23 O=C(O)CC(S)C(=O)O 2829071 [0,0,1,0,0,0|3,0,0]=4 36 B8R0.28 CC(=O)NCCC(=O)O 1046091 [0,0,1,0,0,0|2,0,0]=3 37 B8R0.28 O=C(O)CNCC(=O)O 2826933 [0,0,1,0,0,0|2,0,0]=3 38 B8R0.28 O=C(O)COCC(=O)O 2826979 [0,0,1,0,0,0|2,0,0]=3 39 B10R1.13 O=C1C=CC(C(=O)O)=CN1 1313836 [0,0,0,0,0,1|0,0,3]=4 40 B10R1.13 O=C1C=CC(C(=O)O)=NN1 7020410148 [0,0,0,0,0,1|0,0,3]=4 41 B10R1.13 O=C1CCC(C(=O)O)=NN1 7020410149 [0,0,0,0,0,1|0,0,1]=2 42 B7R0.4 C=CCSCC(=O)O 1193528 [1,0,1,0,0,0|2,0,0]=4 43 B7R0.4 CSCCCC(=O)O 2122646 [1,0,1,0,0,0|2,0,0]=4 44 B7R0.4 NCCCCC(=O)O 2817193 [1,0,1,0,0,0|0,0,1]=3 45 B7R0.4 NCCSCC(=O)O 2119083 [1,0,1,0,0,0|1,0,1]=4 46 B7R0.4 NOCCCC(=O)O 6850961 [1,0,1,0,0,0|1,0,0]=3 47 B7R0.4 O=C(O)CCCCBr 22430367 [1,0,1,0,0,0|1,0,1]=4 48 B7R0.5 CCCC(N)C(=O)O 2817191 [1,0,1,0,0,0|0,0,1]=3 49 B7R0.6 CC(=O)CCC(=O)O 2825979 [1,0,1,0,0,0|1,0,0]=3 50 B7R0.6 CC(=O)CCC(C)=O 2825897 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.6 CC(=O)CNC(C)=O 3354373 [1,0,1,0,0,0|1,0,0]=3 52 B7R0.6 CC(=O)NCC(=O)O 1045424 [1,0,1,0,0,0|0,0,0]=2 53 B7R0.6 O=C(O)CCC(=O)O 2826054 [1,0,1,0,0,0|2,0,0]=4 54 B7R0.15 CCC(CC)C(=O)O 2825993 [1,0,1,0,0,0|1,0,1]=4 55 B7R0.2 CC(=O)NC(C)CO 1272770 [1,0,1,0,0,0|0,0,1]=3 56 B7R1.2 CC1CCC(=O)O1 2816763 [2,0,0,0,0,0|1,0,1]=4 57 B7R1.2 O=C1CC(O)CN1 6849800 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.2 O=C1CCC(=O)N1 2825527 [2,0,0,0,0,0|0,0,1]=3 59 B7R1.2 O=C1CCC(=O)O1 2825548 [2,0,0,0,0,0|1,0,1]=4 60 B7R1.2 O=C1CCC(O)O1 7133026 [2,0,0,0,0,0|1,0,0]=3 61 B7R1.2 O=C1CSC(=O)N1 7112440002 [2,0,0,0,0,0|1,0,1]=4 62 B9R0.7 CS(=O)CCC(N)C(=O)O 12488930 [0,1,1,0,0,0|1,0,0]=3 63 B9R0.7 NC(=O)CCC(N)C(=O)O 2828563 [0,1,1,0,0,0|0,0,0]=2 64 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 22430649 [0,1,1,0,0,0|0,0,0]=2 65 B9R0.7 N[C@@H](CCC(=O)O)C(O)O 22430482 [0,1,1,0,0,0|0,0,2]=4 66 B9R0.7 O=C(O)CCC(=O)C(=O)O 2828548 [0,1,1,0,0,0|1,0,1]=4 67 B9R0.47 CCSCCC(N)C(=O)O 2823553 [0,1,1,0,0,0|1,0,1]=4 68 B9R0.47 NCCCCC(N)C(=O)O 22430438 [0,1,1,0,0,0|1,0,1]=4 69 B9R0.47 NCCCCC(N)C(=O)O 6054633 [0,1,1,0,0,0|1,0,1]=4 70 B9R0.24 COC(=O)CCC(=O)CBr 1978172 [0,1,1,0,0,0|2,0,0]=4 71 B9R0.24 COC(=O)CCC(=O)CN 4058020 [0,1,1,0,0,0|2,0,0]=4 72 B9R0.48 CC(=O)NNC(=O)CCCl 2823801 [0,1,1,0,0,0|2,0,0]=4 73 B9R0.48 CCOC(=O)CCC(C)=O 2819206 [0,1,1,0,0,0|2,0,0]=4 74 B9R0.39 NCC(CC(=O)O)C(=O)O 6923408 [0,1,1,0,0,0|2,0,0]=4 75 B9R0.79 CC(C(=O)O)C(O)C(=O)O 3355078 [0,1,1,0,0,0|2,0,0]=4 76 B9R0.1 COC(=O)CCCC(=O)Cl 1444391 [0,1,1,0,0,0|1,0,0]=3 77 B9R0.1 COC(=O)CCC[N+](=O)[O-] 5155614 [0,1,1,0,0,0|2,0,0]=4 78 B9R0.1 COC(=O)CCNC(N)=O 2828565 [0,1,1,0,0,0|1,0,0]=3 79 B9R0.1 NCC(=O)CCCC(=O)O 4058019 [0,1,1,0,0,0|0,0,0]=2 80 B9R0.1 NCC(=O)ONCC(=O)O 22430442 [0,1,1,0,0,0|2,0,0]=4 81 B9R0.56 CS(=O)(=O)CCCC(=O)O 2122696 [0,1,1,0,0,0|2,0,0]=4 82 B9R1.11 COC(=O)C1CCCN1 2237910 [1,1,0,0,0,0|0,0,1]=3 83 B9R1.11 COC(=O)C1CCCN1 22430277 [1,1,0,0,0,0|0,0,1]=3 84 B9R1.11 COC(=O)C1CCNC1 5005367 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.11 COC(=O)[C@@H]1CSCN1 1089623 [1,1,0,0,0,0|1,0,1]=4 86 B11R1.22 COC(=O)C1C=CC(=O)NN1 3585974 [0,1,0,0,0,1|0,0,2]=4 87 B11R1.645 O=C(O)CC1NC(=O)NC1=O 1867253 [0,1,0,0,0,1|1,0,1]=4 88 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 0114340026 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.23 COC(=O)C1=CC(=O)CCC1 15296937 [0,1,0,0,0,1|1,0,1]=4 90 B11R1.23 COC(=O)C1CNNC(=O)C1 6923404 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 1262797 [0,2,0,0,0,0|1,0,1]=4 92 B11R1.489 CC1(C)OC(=O)CC1C(=O)O 7138794 [0,2,0,0,0,0|2,0,0]=4 93 B9R1.69 NC1CCC(=O)NC1=O 11186120 [0,0,1,1,0,0|1,0,0]=3 94 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O 6923387 [0,0,1,1,0,0|2,0,0]=4 95 B9R2.139 O=C1CCC2(CC2)N1 6596637 [1,0,0,1,0,0|1,0,1]=4 96 B7R0.16 CC(=O)C(Cl)C(C)=O 2827033 [0,0,1,0,1,0|2,0,0]=4 97 B7R1.18 O=C(O)C1CCC1 22430500 [1,0,0,0,1,0|0,0,1]=3 98 B9R0.55 O=C(O)CCCCC(=O)O 2828552 [0,0,1,0,0,1|1,0,0]=3