0  B15R1.889  CC(C)NCC(=O)c1ccc(c(c1)O)O TS43628 [0,0,0,0,0,0|0,0,2]=2
1  B15R1.889  CC(C)NCC(c1ccc(c(c1)Cl)Cl)O TS34795 [0,0,0,0,0,0|2,0,0]=2
2  B15R1.889  CC(C)NCC(c1ccc(c(c1)O)O)O TS62503 [0,0,0,0,0,0|0,0,0]=0
3  B15R1.889  CC(C)NCC(c1ccc(c(c1)O)O)O TS72908 [0,0,0,0,0,0|0,0,0]=0
4  B15R1.889  CC(C)NC[C@@H](c1ccc(c(c1)O)O)O TS62501 [0,0,0,0,0,0|0,0,0]=0
5  B15R1.889  CC(C)NC[C@@H](c1ccc(c(c1)O)O)O TS66434 [0,0,0,0,0,0|0,0,0]=0
6  B15R1.889  CC(C)NC[C@@H](c1ccc(c(c1)O)O)O TS94476 [0,0,0,0,0,0|0,0,0]=0
7  B15R1.889  CC(C)NC[C@H](c1ccc(c(c1)O)O)O TS66435 [0,0,0,0,0,0|0,0,0]=0
8  B15R1.889  CN(C)CC[C@@H](c1ccc(c(c1)Cl)Cl)O TS27708 [0,0,0,0,0,0|4,0,0]=4
9  B15R1.889  CN(C)CC[C@H](c1ccc(c(c1)Cl)Cl)O TS27706 [0,0,0,0,0,0|4,0,0]=4
10  B14R1.685  CN(C)CC(=O)c1ccc(c(c1)O)O TS53226 [0,0,0,0,1,0|1,0,2]=4
11  B13R1.18  CCNCC(c1cccc(c1)O)O TS22296 [2,0,0,0,0,0|0,0,0]=2
12  B13R1.45  CC(C)NCC(c1ccccc1)O TS21946 [2,0,0,0,0,0|0,0,0]=2
13  B13R1.45  CN(C)CCC(c1ccccc1)O TS14460 [2,0,0,0,0,0|2,0,0]=4
14  B13R1.513  CC(=O)NCCc1ccc(cc1)O TS14428 [2,0,0,0,0,0|1,0,1]=4
15  B13R1.466  CNCC(c1ccc(c(c1)O)O)O TS15136 [2,0,0,0,0,0|0,0,0]=2
16  B13R1.466  CNCC(c1ccc(c(c1)O)O)O TS22665 [2,0,0,0,0,0|0,0,0]=2
17  B13R1.466  CNC[C@@H](c1ccc(c(c1)O)O)O TS16812 [2,0,0,0,0,0|0,0,0]=2
18  B13R1.466  CNC[C@@H](c1ccc(c(c1)O)O)O TS33019 [2,0,0,0,0,0|0,0,0]=2
19  B13R1.466  CNC[C@@H](c1ccc(c(c1)O)O)O TS33020 [2,0,0,0,0,0|0,0,0]=2
20  B15R1.5450  CC(C)NCC(c1cc(cc(c1)O)O)O TS21145 [1,1,0,0,0,0|0,0,0]=2
21  B15R1.5450  CC(C)NCC(c1cc(cc(c1)O)O)O TS72907 [1,1,0,0,0,0|0,0,0]=2
22  B15R1.880  Cc1ccc(cc1)[C@@H]([C@H](C)NC(C)C)O TS27071 [1,1,0,0,0,0|1,0,0]=3
23  B15R1.3776  CC(C)CC(=O)c1ccc(c(c1)O)OC TS20573 [0,1,0,0,1,0|0,0,2]=4
24  B17R1.2672  CCC(C(c1ccc(c(c1)O)O)O)NC(C)C TS63980 [0,2,0,0,0,0|0,0,0]=2
25  B17R1.5286  CC(C)(C)NC[C@@H](c1ccc(c(c1)CO)O)O TS26381 [0,2,0,0,0,0|0,0,0]=2
26  B17R1.304823  CC(C)(C)NCC(c1cc(c(c(c1)Br)N)Br)O TS79798 [0,2,0,0,0,0|2,0,0]=4
27  B17R1.304823  CC(C)(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O TS76644 [0,2,0,0,0,0|2,0,0]=4
28  B13R1.510  C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N TS15130 [0,0,0,0,2,0|1,0,0]=3