Table 1.

Homologous information of PCBs.

Compounds	Name	SMILES structure form
PCB-95	2,2',3,5',6-pentachlorobiphenyl	c1 = cc(=c(c = c1cl)c2 = c(c = cc(=c2cl)cl)cl)cl
PCB-99	2,2',4,4',5-pentachlorobiphenyl	c1 = cc(=c(c = c1cl)cl)c2 = cc(=c(c = c2cl)cl)cl
PCB-105	2,3,3',4,4'-pentachlorobiphenyl	c1 = cc(=c(c = c1c2 = c(c(=c(c = c2)cl)cl)cl)cl)cl
PCB-118	2,3',4,4',5-pentachlorobiphenyl	c1 = cc(=c(c = c1c2 = cc(=c(c = c2clcl)cl)cl)cl
PCB-126	3,3',4,4,5- pentachlorobiphenyl	c1 = cc(=c(c = c1c2 = cc(=c(c(=c2)cl)cl)cl)cl)cl
PCB-138	2,2',3,4,4',5'-hexachlorobiphenyl	c1 = cc(=c(c(=c1c2 = cc(=c(c = c2 cl)cl)cl)cl)cl)cl
PCB-146	2,2',3,4',5,5'-hexachlorobiphenyl	c1 = c(c = c(c(=c1c2 = cc(=c(c = c2 cl)cl)cl)cl)cl)cl
PCB-153	2,2',4,4',5,5'-hexachlorobiphenyl	c1 = c(c(=cc (=c1cl)cl)cl)c2 = cc(=c(c = c2 cl)cl)cl)cl
PCB-156	2,3,3',4,4',5-hexachlorobiphenyl	c1 = cc(=c(c = c1c2 = cc(=c(c(=c2 cl)cl)cl)cl)cl)cl
PCB-158	2,3,3',4,4',6-hexachlorobiphenyl	c1 = cc(=c(c = c1c2 = c(c(=c(c = c2 cl)cl)cl)cl)cl)cl
PCB-170	2,2',3,3',4,4',5-heptachlorobiphenyl	c1 = cc(=c(c(=c1c2 = cc(=c(c(=c2 cl)cl)cl)cl)cl)cl)cl
PCB-171	2,2',3,3',4,4',6-heptachlorobiphenyl	c1 = cc(=c(c(=c1c2 = c(c(=c(c = c2 cl)cl)cl)cl)cl)cl)cl
PCB-180	2,2',3,4,4',5,5'-heptachlorobiphenyl	c1 = c(c(=cc(=c1cl)cl)cl)c2 = cc(=c(c(=c2 cl)cl)cl)cl
PCB-183	2,2',3,4,4',5',6-heptachlorobiphenyl	c1 = c(c(=cc(=c1cl)cl)cl)c2 = c(c(=c(c = c2 cl)cl)cl)cl