0 B9R0.47 C#CCSC[C@H](N)C(=O)O 30409 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.47 C=CCCC[C@H](N)C(=O)O F15996 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.47 CCSCC[C@H](N)C(=O)O A12005 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.47 NCCCC[C@H](N)C(=O)O F10821 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.47 NCCSC[C@H](N)C(=O)O FD21310 [0,0,0,0,0,0|1,0,1]=2 7 B9R0.47 N[C@@H](CSCCO)C(=O)O AB10207 [0,0,0,0,0,0|1,0,1]=2 8 B8R0.7 C#CCOCCC(=O)O 78672 [1,0,0,0,0,0|0,1,2]=4 9 B8R0.7 NCCCCCC(=O)O P19609 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.8 C=CCC[C@H](N)C(=O)O F12088 [1,0,0,0,0,0|0,0,0]=1 11 B8R0.8 C=CCC[C@H](N)C(=O)O F15989 [1,0,0,0,0,0|0,0,0]=1 12 B8R0.8 CCCC[C@H](N)C(N)=O C77276 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.8 CCCC[C@H](O)C(=O)O C11377 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.8 C[Se]CC[C@H](N)C(=O)O F20529 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.23 NC(C(=O)O)C1CCNC1 67423 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.23 NC(C(=O)O)C1CCOC1 67390 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 AC1517 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.113 CC1CCCC(C(=O)O)N1 CL3106 [0,0,0,1,0,0|1,0,2]=4 19 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96696 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 D96697 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 F30241 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 59422 [0,0,0,1,0,0|1,0,2]=4 23 B10R1.204 N[C@@H](CC1CCC1)C(=O)O 67426 [0,0,0,1,0,0|1,0,2]=4 24 B10R1.348 O=C(O)[C@@H]1CCCCCN1 I10217 [0,0,0,1,0,0|1,0,2]=4 25 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10061 [0,0,0,0,0,1|2,0,1]=4 26 B7R0.4 COCCCC(=O)O 78063 [2,0,0,0,0,0|1,0,1]=4 27 B7R0.5 C#CC[C@H](N)C(=O)O C73254 [2,0,0,0,0,0|0,0,2]=4 28 B7R0.5 C#CC[C@H](N)C(=O)O F12349 [2,0,0,0,0,0|0,0,2]=4 29 B7R0.5 C=CC[C@H](N)C(=O)O 67602 [2,0,0,0,0,0|0,0,0]=2 30 B7R0.5 CCC[C@H](O)C(=O)O 77792 [2,0,0,0,0,0|1,0,1]=4 31 B7R0.5 CNC[C@H](N)C(=O)O N10392 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.5 COC[C@H](Br)C(=O)O C76037 [2,0,0,0,0,0|1,1,0]=4 33 B7R0.5 COC[C@H](Cl)C(=O)O T70661 [2,0,0,0,0,0|1,1,0]=4 34 B7R0.5 C[Se]C[C@H](N)C(=O)O D95282 [2,0,0,0,0,0|0,1,0]=3 35 B7R0.5 NCC[C@H](F)C(=O)O D71941 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.5 NCC[C@H](N)C(=O)O FD1070 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.5 N[C@@H](CCS)C(=O)O C11384 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.5 N[C@@H](CCS)C(=O)O I11579 [2,0,0,0,0,0|1,0,0]=3 39 B9R0.2 C=CCCCCCC(=O)O I11997 [1,1,0,0,0,0|1,0,0]=3 40 B9R0.2 C=CCOCCCC(=O)O W18610 [1,1,0,0,0,0|0,1,0]=3 41 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50434 [1,1,0,0,0,0|0,1,1]=4 42 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O 42863 [1,1,0,0,0,0|1,0,1]=4 43 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O E70211 [1,1,0,0,0,0|1,0,1]=4 44 B9R0.7 N=C(N)NC[C@H](N)C(=O)O D80187 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O FD21448 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O C72668 [1,1,0,0,0,0|1,0,0]=3 47 B9R0.51 C=CCCC(C)(C)C(=O)O AC8558 [1,1,0,0,0,0|1,0,0]=3 48 B9R0.51 C[C@](N)(CCCN)C(=O)O F11646 [1,1,0,0,0,0|1,0,1]=4 49 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O 98373 [0,2,0,0,0,0|1,0,1]=4 50 B11R0.29 CC(=O)NCSC[C@H](N)C(=O)O FD21295 [0,2,0,0,0,0|0,0,1]=3 51 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O 43745 [0,2,0,0,0,0|1,0,1]=4 52 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O D95423 [0,2,0,0,0,0|0,0,1]=3 53 B11R0.42 C=CCCCCC[C@H](N)C(=O)O C77165 [0,2,0,0,0,0|1,0,0]=3 54 B11R0.42 C=CCCCCC[C@H](N)C(=O)O D96783 [0,2,0,0,0,0|1,0,0]=3 55 B9R1.6 O=C(O)[C@@H]1CSCCN1 66696 [1,0,0,1,0,0|1,0,1]=4 56 B9R1.6 O=C(O)[C@@H]1CSCCN1 77693 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [1,0,0,1,0,0|0,0,2]=4 58 B9R1.13 O=C(O)CC1=CCC=C1 78226 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 D96519 [1,0,0,1,0,0|0,0,2]=4 60 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 64802 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 F10334 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 W16754 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.35 O=C1N[C@H](C(=O)O)CO1 AT13924 [1,0,0,1,0,0|1,1,0]=4 64 B9R1.69 N[C@H]1CCC(=O)NC1=O AT11186 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.110 N[C@H](C(=O)O)C1CCC1 67397 [1,0,0,1,0,0|0,0,2]=4 66 B9R1.110 N[C@H](C(=O)O)C1CCC1 67404 [1,0,0,1,0,0|0,0,2]=4 67 B9R1.110 N[C@H](C(=O)O)C1COC1 59698 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.110 N[C@H](C(=O)O)C1COC1 CS3552 [1,0,0,1,0,0|1,0,1]=4 69 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51303 [1,0,0,1,0,0|0,0,2]=4 70 B9R1.112 N[C@@H](CC1CC1)C(=O)O 67427 [1,0,0,1,0,0|0,0,2]=4 71 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19621 [1,0,0,1,0,0|1,0,1]=4 72 B9R1.163 N[C@@]1(C(=O)O)CCOC1 53168 [1,0,0,1,0,0|0,1,1]=4 73 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77577 [1,0,0,1,0,0|0,1,1]=4 74 B9R1.163 N[C@@]1(C(=O)O)CCOC1 77578 [1,0,0,1,0,0|0,1,1]=4 75 B9R1.163 N[C@@]1(C(=O)O)CCSC1 20638 [1,0,0,1,0,0|0,0,1]=3 76 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 D81679 [0,0,0,1,0,1|0,0,2]=4 77 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 N12535 [0,0,0,1,0,1|0,0,2]=4 78 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O F52519 [0,1,0,1,0,0|0,0,1]=3 79 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O D85261 [0,1,0,1,0,0|1,0,1]=4 80 B11R1.35 N[C@@H](CC1=CN=CS1)C(=O)O F53130 [0,1,0,1,0,0|1,0,1]=4 81 B11R1.23 COC(=O)[C@@H]1CCCC(=O)N1 72112 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 74958 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 74999 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 76678 [0,1,0,1,0,0|2,0,0]=4