0  B14R1.42  COC1=C(C)C=CC(CCC(=O)O)=C1 6524773 [0,0,0,0,0,0|2,0,0]=2
1  B13R1.643  COC1=CC(OCC(=N)N)=CC=C1 4013691 [1,0,0,0,0,0|3,0,0]=4
2  B13R1.643  COC1=CC(OCC(=N)N)=CC=C1 4088935 [1,0,0,0,0,0|3,0,0]=4
3  B13R1.643  COC1=CC=CC(SCC(=O)O)=C1 4045170 [1,0,0,0,0,0|2,0,0]=3
4  B15R1.12854  COC1=CC=C(CNC(C)C)C=C1OC 4090961 [0,1,0,0,0,0|2,0,1]=4
5  B15R1.12854  COC1=CC=C(CNC(C)C)C=C1OC 5525060 [0,1,0,0,0,0|2,0,1]=4
6  B15R2.7688  CC(C)NCC1=CC2=C(C=C1)OCO2 4088129 [0,0,0,1,0,0|2,0,1]=4
7  B15R2.7688  CC(C)NCC1=CC2=C(C=C1)OCO2 5572794 [0,0,0,1,0,0|2,0,1]=4
8  B12R1.226  CC(=O)NCC1=CC(Br)=CC=C1 9070602 [2,0,0,0,0,0|2,0,0]=4
9  B12R1.226  CC1=CC(OCC(=O)O)=CC=C1 3001595 [2,0,0,0,0,0|2,0,0]=4
10  B12R1.286  COC1=C(O)C=CC(CC#N)=C1 4034699 [2,0,0,0,0,0|1,0,1]=4
11  B12R1.382  CCNCC1=CC(OC)=CC=C1 4090705 [2,0,0,0,0,0|1,0,1]=4
12  B12R1.382  CCNCC1=CC(OC)=CC=C1 5545112 [2,0,0,0,0,0|1,0,1]=4
13  B12R1.382  COC1=CC(CCCN)=CC=C1 4101633 [2,0,0,0,0,0|1,0,1]=4
14  B14R1.833  NNC(=O)CCC1=CC=C(O)C(O)=C1 3015017 [1,1,0,0,0,0|1,0,0]=3
15  B14R1.3653  COC1=C(O)C=C(CCC(=O)O)C=C1 4110555 [1,1,0,0,0,0|1,0,0]=3
16  B14R1.793  COC1=CC=C(CCCN)C=C1OC 4001946 [1,1,0,0,0,0|1,0,1]=4
17  B14R1.75  COC1=CC(OC(C)C(=O)O)=CC=C1 3013854 [1,1,0,0,0,0|2,0,0]=4
18  B14R1.3651  COC1=CC=C(CC(=N)N)C=C1OC 4012624 [0,1,0,0,1,0|2,0,0]=4
19  B14R1.3651  COC1=CC=C(CC(=N)N)C=C1OC 4090941 [0,1,0,0,1,0|2,0,0]=4
20  B16R1.4276  COC1=C(OC)C=C(CNC(=O)CCl)C=C1 9070724 [0,2,0,0,0,0|1,0,0]=3
21  B16R2.1357  NNC(=O)COC1=CC2=C(C=C1)OCO2 3015210 [0,1,0,1,0,0|2,0,0]=4
22  B16R2.1461  COC1=C(OC)C=C2CC(=O)NCC2=C1 4027574 [0,1,0,1,0,0|1,0,0]=3
23  B12R1.19  CC(=O)NC1=CC=C(N)C(C)=C1 4028746 [1,0,0,0,1,0|2,0,0]=4
24  B12R1.19  CC1=CC=C(CC(=O)O)C=C1C 4030379 [1,0,0,0,1,0|2,0,0]=4
25  B14R1.76  COC1=CC=CC(CNCC(=O)O)=C1 4003037 [1,0,0,0,0,1|1,0,0]=3
26  B14R1.76  COC1=CC=CC(CNCC(C)C)=C1 4090800 [1,0,0,0,0,1|1,0,1]=4
27  B14R1.76  COC1=CC=CC(CNCC(C)C)=C1 9071991 [1,0,0,0,0,1|1,0,1]=4