0 B9R1.35 O=C(O)C1=CC(O)=NN1 6062886 [0,0,0,0,0,0|1,0,3]=4 1 B9R1.35 O=C(O)C1CC(O)CN1 2826745 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.35 O=C1CC(C(=O)O)NN1 3665879 [0,0,0,0,0,0|1,0,2]=3 3 B8R1.7 NC(=O)C1CCCC1 2825858 [1,0,0,0,0,0|2,0,0]=3 4 B8R1.7 NC(=O)C1CCCN1 12491302 [1,0,0,0,0,0|1,0,0]=2 5 B8R1.7 O=C(O)C1CCCC1 12405450 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.7 O=C(O)C1CCCN1 1000023 [1,0,0,0,0,0|0,0,0]=1 7 B8R1.7 O=C(O)C1CCCN1 6054636 [1,0,0,0,0,0|0,0,0]=1 8 B8R1.7 O=C(O)C1CCCO1 2825980 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.7 O=C(O)C1CCNC1 4061127 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.7 O=C(O)C1CSCN1 1051748 [1,0,0,0,0,0|1,0,0]=2 11 B8R1.7 O=C(O)C1NCCS1 6849788 [1,0,0,0,0,0|1,0,0]=2 12 B8R1.7 O=C(O)[C@@H]1CCCN1 22430400 [1,0,0,0,0,0|0,0,0]=1 13 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 7018890424 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.8 CC(OCCN)C(=O)O 3637181 [0,0,1,0,0,0|2,0,0]=3 15 B8R0.8 CCCCC(Br)C(=O)O 2960273 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.8 CCCCC(N)C(=O)O 2826762 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.9 NCC(=O)CCC(=O)O 3354642 [0,0,1,0,0,0|0,0,2]=3 18 B8R0.9 NCC(=O)NCC(=O)O 2826850 [0,0,1,0,0,0|1,0,2]=4 19 B8R0.23 CC(=O)CC(N)C(=O)O 4060175 [0,0,1,0,0,0|0,0,2]=3 20 B8R0.23 CC(C)CC(N)C(=O)O 4060166 [0,0,1,0,0,0|1,0,0]=2 21 B8R0.23 NC(=O)C[C@H](N)C(=O)O 22430423 [0,0,1,0,0,0|1,0,2]=4 22 B8R0.23 NC(=O)C[C@H](N)C(=O)O 4800348 [0,0,1,0,0,0|1,0,2]=4 23 B8R0.23 NC(CC(=O)O)C(=O)O 2826934 [0,0,1,0,0,0|1,0,1]=3 24 B8R0.23 O=C(O)CC(O)C(=O)O 2826980 [0,0,1,0,0,0|2,0,1]=4 25 B8R0.23 O=C(O)CC(S)C(=O)O 2829071 [0,0,1,0,0,0|2,0,1]=4 26 B8R0.28 O=C(O)CNCC(=O)O 2826933 [0,0,1,0,0,0|1,0,1]=3 27 B8R0.28 O=C(O)COCC(=O)O 2826979 [0,0,1,0,0,0|2,0,1]=4 28 B7R0.3 CC(CO)NCCO 2342656 [1,0,1,0,0,0|0,0,1]=3 29 B7R0.4 CC(=O)NCCCN 1137947 [1,0,1,0,0,0|2,0,0]=4 30 B7R0.4 CSCCCC(=O)O 2122646 [1,0,1,0,0,0|2,0,0]=4 31 B7R0.4 NCCCCC(=O)O 2817193 [1,0,1,0,0,0|0,0,0]=2 32 B7R0.4 NCCSCC(=O)O 2119083 [1,0,1,0,0,0|1,0,0]=3 33 B7R0.4 NOCCCC(=O)O 6850961 [1,0,1,0,0,0|1,0,0]=3 34 B7R0.4 O=C(O)CCCCBr 22430367 [1,0,1,0,0,0|1,0,0]=3 35 B7R0.5 CCCC(N)C(=O)O 2817191 [1,0,1,0,0,0|0,0,0]=2 36 B7R0.6 CC(=O)CCC(=O)O 2825979 [1,0,1,0,0,0|0,0,2]=4 37 B7R0.6 CC(C)SCC(=O)O 7020300467 [1,0,1,0,0,0|2,0,0]=4 38 B7R0.6 CN(C)CCC(=O)O 1901686 [1,0,1,0,0,0|2,0,0]=4 39 B7R0.6 O=C(O)CCC(=O)O 2826054 [1,0,1,0,0,0|1,0,1]=4 40 B7R0.15 CCC(CC)C(=O)O 2825993 [1,0,1,0,0,0|1,0,0]=3 41 B7R1.1 CCC1CCCN1 1972918 [2,0,0,0,0,0|1,0,1]=4 42 B7R1.1 OCC1CCCO1 2825610 [2,0,0,0,0,0|1,0,1]=4 43 B7R1.2 O=C1CC(O)CN1 6849800 [2,0,0,0,0,0|0,0,1]=3 44 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O 2653449 [0,1,1,0,0,0|1,0,1]=4 45 B9R0.47 CC(NCCC#N)C(=O)O 2397396 [0,1,1,0,0,0|1,0,0]=3 46 B9R0.24 COC(=O)CCC(=O)CN 4058020 [0,1,1,0,0,0|0,0,2]=4 47 B9R0.11 CC(C)CC(C)(F)C(=O)O 6061103 [0,1,1,0,0,0|2,0,0]=4 48 B9R0.11 CC(C)CC(C)(O)C(=O)O 2287207 [0,1,1,0,0,0|2,0,0]=4 49 B9R0.53 CC(C)CC(O)CC(=O)O 1779113 [0,1,1,0,0,0|2,0,0]=4 50 B9R1.11 COC(=O)C1CCCN1 2237910 [1,1,0,0,0,0|0,0,0]=2 51 B9R1.11 COC(=O)C1CCCN1 22430277 [1,1,0,0,0,0|0,0,0]=2 52 B9R1.11 COC(=O)C1CCNC1 5005367 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.11 COC(=O)[C@@H]1CSCN1 1089623 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 1262797 [0,2,0,0,0,0|1,0,0]=3 55 B9R1.6 O=C(O)C1CCCCC1 2826488 [0,0,1,1,0,0|2,0,0]=4 56 B9R1.6 O=C(O)C1CCCNC1 2826561 [0,0,1,1,0,0|2,0,0]=4 57 B7R0.16 CC(C)C(N)C(=O)O 2826029 [0,0,1,0,1,0|1,0,0]=3 58 B7R0.16 CC(C)[C@H](N)C(=O)O 4434592 [0,0,1,0,1,0|1,0,0]=3 59 B7R0.16 CC(O)C(N)C(=O)O 2826109 [0,0,1,0,1,0|0,0,0]=2 60 B7R1.18 O=C(O)C1CCC1 22430500 [1,0,0,0,1,0|0,0,0]=2 61 B9R1.13 NC(=O)OC1CCCC1 10051491 [1,0,0,0,0,1|2,0,0]=4 62 B9R1.13 O=C(O)CC1OCCO1 6313879 [1,0,0,0,0,1|2,0,0]=4