0 B4R0.1 C[C@@H](N)CO BIA0108 [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 C[C@H](N)CO BIA0120 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 NC(=O)NO BIH0153 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 NCC(=O)O BIG0503 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 NCC(=O)O BIG0709 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.1 NCCS BIC2510 [1,0,0,0,0,0|1,1,1]=4 6 B3R0.2 CS(C)=O BID1200 [1,0,0,0,0,0|1,0,0]=2 7 B3R0.2 N=C(N)N BIMB1010 [1,0,0,0,0,0|3,0,0]=4 8 B3R0.2 N=C(N)N BIMB2002 [1,0,0,0,0,0|3,0,0]=4 9 B3R0.2 N=C(N)N BIMB3002 [1,0,0,0,0,0|3,0,0]=4 10 B3R0.2 NC(N)=O BIU4110 [1,0,0,0,0,0|2,0,0]=3 11 B3R0.2 NC(N)=S BIT4110 [1,0,0,0,0,0|2,1,0]=4 12 B5R0.1 CC(=O)OCBr BIM590 [0,1,0,0,0,0|1,0,0]=2 13 B5R0.1 CNCC(=O)O BIS0907 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.3 O=C[C@@H](O)CO BIB6060 [0,1,0,0,0,0|1,0,1]=3 15 B5R0.3 OCC(O)CO BIA3092 [0,1,0,0,0,0|0,0,2]=3 16 B5R0.3 OCC(O)CS BIM0178 [0,1,0,0,0,0|0,0,2]=3 17 B5R0.5 CC(=O)C(=O)[O-] BIB6270 [0,1,0,0,0,0|0,0,2]=3 18 B5R0.5 CC(=O)C([13CH3])=O BID0431 [0,1,0,0,0,0|0,0,2]=3 19 B5R0.5 CC(=O)N(C)C BIA3145 [0,1,0,0,0,0|2,0,0]=3 20 B5R0.5 CC(N)C(=O)O BIA0868 [0,1,0,0,0,0|2,0,0]=3 21 B5R0.5 C[C@@H](N)C(=O)O BIA0863 [0,1,0,0,0,0|2,0,0]=3 22 B5R0.5 C[C@H](N)C(=O)O BIA0703 [0,1,0,0,0,0|2,0,0]=3 23 B4R0.3 C[As](C)(=O)O BIC1001 [1,1,0,0,0,0|1,0,0]=3 24 B6R0.1 C=CC[C@@H](N)CO BICR116 [0,2,0,0,0,0|1,0,1]=4 25 B6R0.1 C=CC[C@H](N)CO BICR108 [0,2,0,0,0,0|1,0,1]=4 26 B6R0.3 CCC(=O)C(=O)[O-] BIK8008 [0,2,0,0,0,0|0,0,2]=4 27 B6R0.3 CCN(C)C(=O)Cl BIB6299 [0,2,0,0,0,0|2,0,0]=4 28 B6R0.3 COC(=O)[C@@H](C)N BIA0107 [0,2,0,0,0,0|1,0,0]=3 29 B6R0.3 COC(=O)[C@H](C)N BIA0121 [0,2,0,0,0,0|1,0,0]=3 30 B6R0.3 N[C@@H](CO)C(=O)O BIS0718 [0,2,0,0,0,0|1,0,0]=3 31 B6R0.3 N[C@@H](CS)C(=O)O BIC0706 [0,2,0,0,0,0|1,1,0]=4 32 B6R0.3 N[C@@H](CS)C(=O)O BIC0707 [0,2,0,0,0,0|1,1,0]=4 33 B6R0.3 N[C@@H](CS)C(=O)O BIC0709 [0,2,0,0,0,0|1,1,0]=4 34 B6R0.3 [C@@H](N)(CO)C(=O)O BIS2001 [0,2,0,0,0,0|1,0,0]=3 35 B6R0.5 C[N+](C)(C)CCO BIC0605 [0,2,0,0,0,0|2,0,0]=4 36 B6R0.8 CC(N)(CO)CO BI4545 [0,2,0,0,0,0|0,0,2]=4 37 B6R1.2 N=C1CCCS1 BIM099 [0,1,0,1,0,0|2,0,0]=4 38 B6R1.2 N=C1CCCS1 BIM100 [0,1,0,1,0,0|2,0,0]=4