0 B5R0.3 O=C[C@@H](O)CO BIB6060 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.3 OCC(O)CO BIA3092 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 OCC(O)CS BIM0178 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C[C@@H](N)CO BIA0108 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.1 C[C@H](N)CO BIA0120 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 NCC(=O)O BIG0503 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 NCC(=O)O BIG0709 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 C=CC[C@@H](N)CO BICR116 [0,1,0,0,0,0|2,0,0]=3 8 B6R0.1 C=CC[C@H](N)CO BICR108 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.3 CCC(=O)C(=O)[O-] BIK8008 [0,1,0,0,0,0|1,0,2]=4 10 B6R0.3 CCN(C)C(=O)Cl BIB6299 [0,1,0,0,0,0|3,0,0]=4 11 B6R0.3 N[C@@H](CO)C(=O)O BIS0718 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.3 N[C@@H](CS)C(=O)O BIC0706 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.3 N[C@@H](CS)C(=O)O BIC0707 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.3 N[C@@H](CS)C(=O)O BIC0709 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.3 [C@@H](N)(CO)C(=O)O BIS2001 [0,1,0,0,0,0|3,0,0]=4 16 B3R0.1 NCCS BIC2510 [2,0,0,0,0,0|1,1,0]=4 17 B5R0.1 CNCC(=O)O BIS0907 [1,1,0,0,0,0|1,0,1]=4 18 B5R0.5 CC(N)C(=O)O BIA0868 [1,1,0,0,0,0|1,0,1]=4 19 B5R0.5 C[C@@H](N)C(=O)O BIA0863 [1,1,0,0,0,0|1,0,1]=4 20 B5R0.5 C[C@H](N)C(=O)O BIA0703 [1,1,0,0,0,0|1,0,1]=4 21 B5R0.2 NCCCCN BIB6265 [1,1,0,0,0,0|1,0,1]=4 22 B5R0.2 NCCCCN BIP0733 [1,1,0,0,0,0|1,0,1]=4 23 B7R0.5 N[C@@H](CCS)C(=O)O BIB6065 [0,2,0,0,0,0|2,0,0]=4 24 B7R0.10 O=C[C@H](O)[C@H](O)CO BIFS0103 [0,2,0,0,0,0|1,0,0]=3 25 B7R0.10 OC[C@H](O)[C@H](O)CO BIB6050 [0,2,0,0,0,0|1,0,1]=4 26 B7R0.10 O[C@H](CS)[C@@H](O)CS BI8765 [0,2,0,0,0,0|1,0,1]=4 27 B7R0.10 O[C@H](CS)[C@H](O)CS BIA2948 [0,2,0,0,0,0|1,0,1]=4 28 B7R0.10 O[C@H](CS)[C@H](O)CS BIMB1015 [0,2,0,0,0,0|1,0,1]=4 29 B7R0.13 [2H]C([2H])(C=O)C(C)C BIM0590 [0,2,0,0,0,0|2,0,0]=4 30 B7R0.16 CC(C)[C@H](N)C(=O)O BIV0722 [0,2,0,0,0,0|2,0,0]=4 31 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BIT0719 [0,2,0,0,0,0|2,0,0]=4 32 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BIT0724 [0,2,0,0,0,0|2,0,0]=4 33 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O BIT0801 [0,2,0,0,0,0|2,0,0]=4 34 B7R0.16 C[C@H](O)[C@H](N)C(=O)O BIT0901 [0,2,0,0,0,0|2,0,0]=4 35 B7R1.4 NC1CCSC1=O BIH4018 [0,1,0,1,0,0|2,0,0]=4 36 B7R1.4 N[C@H]1CCOC1=O BIH4006 [0,1,0,1,0,0|2,0,0]=4 37 B7R1.19 NC1(C(=O)O)CC1 BIA1373 [0,1,0,1,0,0|2,0,0]=4