0 B7R0.16 CC(C)[C@H](N)C(=O)O BIV0722 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BIT0719 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BIT0724 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O BIT0801 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.16 C[C@H](O)[C@H](N)C(=O)O BIT0901 [0,0,0,0,0,0|0,0,0]=0 5 B6R0.3 CCC(=O)C(=O)[O-] BIK8008 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.3 CCN(C)C(=O)Cl BIB6299 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.3 N[C@@H](CO)C(=O)O BIS0718 [1,0,0,0,0,0|0,0,0]=1 8 B6R0.3 N[C@@H](CS)C(=O)O BIC0706 [1,0,0,0,0,0|0,1,0]=2 9 B6R0.3 N[C@@H](CS)C(=O)O BIC0707 [1,0,0,0,0,0|0,1,0]=2 10 B6R0.3 N[C@@H](CS)C(=O)O BIC0709 [1,0,0,0,0,0|0,1,0]=2 11 B6R0.3 [C@@H](N)(CO)C(=O)O BIS2001 [1,0,0,0,0,0|0,0,0]=1 12 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O BII0711 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.23 CC(=O)N[C@@H](C)C(=O)O BIA1219 [0,0,0,0,0,1|1,0,2]=4 14 B8R0.23 CC(=O)N[C@H](C)C(=O)O BIA1217 [0,0,0,0,0,1|1,0,2]=4 15 B8R0.23 CC(C)C[C@@H](N)C(=O)O BIL0710 [0,0,0,0,0,1|1,0,0]=2 16 B8R0.23 CC(C)C[C@H](N)C(=O)O BIL0712 [0,0,0,0,0,1|1,0,0]=2 17 B8R0.23 NC(=O)CC(N)C(=O)O BIB6283 [0,0,0,0,0,1|1,0,2]=4 18 B8R0.23 NC(=O)C[C@H](N)C(=O)O BIA0725 [0,0,0,0,0,1|1,0,2]=4 19 B8R0.23 N[C@@H](CC(=O)O)C(=O)O BIA0705 [0,0,0,0,0,1|1,0,1]=3 20 B8R0.23 N[C@H](CC(=O)O)C(=O)O BIA0866 [0,0,0,0,0,1|1,0,1]=3 21 B5R0.1 CNCC(=O)O BIS0907 [2,0,0,0,0,0|1,0,0]=3 22 B5R0.3 O=C[C@@H](O)CO BIB6060 [2,0,0,0,0,0|1,0,0]=3 23 B5R0.3 OCC(O)CO BIA3092 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.5 CC(N)C(=O)O BIA0868 [2,0,0,0,0,0|0,0,0]=2 25 B5R0.5 C[C@@H](N)C(=O)O BIA0863 [2,0,0,0,0,0|0,0,0]=2 26 B5R0.5 C[C@H](N)C(=O)O BIA0703 [2,0,0,0,0,0|0,0,0]=2 27 B7R0.5 N[C@@H](CCS)C(=O)O BIB6065 [1,1,0,0,0,0|0,0,0]=2 28 B7R0.10 COC(=O)[C@@H](N)CO BIS0720 [1,1,0,0,0,0|0,0,0]=2 29 B7R0.10 O=C[C@H](O)[C@H](O)CO BIFS0103 [1,1,0,0,0,0|1,0,0]=3 30 B7R0.10 OC[C@H](O)[C@H](O)CO BIB6050 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.13 [2H]C([2H])(C=O)C(C)C BIM0590 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O BII0712 [0,1,0,0,0,1|0,0,0]=2 33 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O BID2055 [0,1,0,0,0,1|1,0,1]=4 34 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@H](O)CO BIFS0109 [0,2,0,0,0,0|1,0,1]=4 35 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO BIFS0118 [0,2,0,0,0,0|1,0,1]=4 36 B9R0.27 O=C[C@@H](O)[C@H](O)[C@H](O)CO BIFS0101 [0,2,0,0,0,0|1,0,1]=4 37 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO BIFS0102 [0,2,0,0,0,0|1,0,1]=4 38 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO BIF5012 [0,2,0,0,0,0|1,0,1]=4 39 B7R1.4 NC1CCSC1=O BIH4018 [1,0,0,1,0,0|0,1,0]=3 40 B7R1.4 N[C@@H]1CONC1=O BIC0119 [1,0,0,1,0,0|1,0,0]=3 41 B7R1.4 N[C@H]1CCOC1=O BIH4006 [1,0,0,1,0,0|0,0,0]=2 42 B7R1.19 NC1(C(=O)O)CC1 BIA1373 [1,0,0,1,0,0|0,0,0]=2 43 B7R0.6 CC(=O)NCC(=O)O BIA1745 [1,0,0,0,0,1|0,0,2]=4 44 B7R0.6 O=C(O)CCC(=O)O BI225 [1,0,0,0,0,1|1,0,1]=4 45 B9R0.7 CS(=O)CCC(N)C(=O)O BIB6099 [0,0,0,0,0,2|1,0,1]=4 46 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O BIG0707 [0,0,0,0,0,2|1,0,1]=4