Name	TestTria	Potency	MW	AMW	Sv	Se	Sp	Ss	Mv	Me	Mp	Ms	nAT	nSK	nBT	nBO	nBM	SCBO	nCIC	nCIR	RBN	RBF	nDB	nTB	nAB	nH	nC	nN	nO	nP	nS	nF	nCL	nBR	nI	nB	nHM	nX	nR03	nR04	nR05	nR06	nR07	nR08	nR09	nR10	nR11	nR12	nBnz	_OBSTAT_
1-2-dinitrobenzene	0	1.25	168.12	10.51	10.63	17.42	10.59	43.33	0.66	1.09	0.66	3.61	16	12	16	12	10	17	1	1	2	0.13	0	0	10	4	6	2	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
1-3-dinitrobenzene	0	0.762	170.14	9.45	11.23	19.31	11.35	41.33	0.62	1.07	0.63	3.44	18	12	18	12	8	16	1	1	4	0.22	0	0	8	6	6	2	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
1-4-dinitrobenzene	0	0.203	168.12	10.51	10.63	17.42	10.59	43.33	0.66	1.09	0.66	3.61	16	12	16	12	10	17	1	1	2	0.13	0	0	10	4	6	2	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
1-4-dinitrobenzene	0	1.3	168.12	10.51	10.63	17.42	10.59	43.33	0.66	1.09	0.66	3.61	16	12	16	12	10	17	1	1	2	0.13	0	0	10	4	6	2	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-3-5-6-tetrachloro-1-4-dinitrobenzene	0	2.74	305.88	19.12	13.58	18.71	14.03	58.44	0.85	1.17	0.88	3.65	16	16	16	16	10	21	1	1	2	0.13	0	0	10	0	6	2	4	0	0	0	4	0	0	0	0	4	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-3-5-6-tetrachlorophenol	0	2.222	231.88	17.84	11.25	14.28	12.17	32.78	0.87	1.1	0.94	2.98	13	11	13	11	6	14	1	1	1	0.08	0	0	6	2	6	0	1	0	0	0	4	0	0	0	0	4	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-3-5-6-tetrafluorophenol	0	1.167	166.08	12.78	8.75	15.05	8.48	48.33	0.67	1.16	0.65	4.39	13	11	13	11	6	14	1	1	1	0.08	0	0	6	2	6	0	1	0	0	4	0	0	0	0	0	4	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-3-5-trichlorphenol	0	2.373	197.44	15.19	10.51	13.96	11.31	29	0.81	1.07	0.87	2.9	13	10	13	10	6	13	1	1	1	0.08	0	0	6	3	6	0	1	0	0	0	3	0	0	0	0	3	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-3-5-trimethylphenol	0	0.36	136.21	6.19	13.1	21.66	14	22.67	0.6	0.98	0.64	2.27	22	10	22	10	6	13	1	1	4	0.18	0	0	6	12	9	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-3-dichlorophenol	0	1.276	163	12.54	9.78	13.64	10.45	25.22	0.75	1.05	0.8	2.8	13	9	13	9	6	12	1	1	1	0.08	0	0	6	4	6	0	1	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-3-dimethylnitrobenzene	0	0.56	151.18	7.56	12.41	20.32	12.95	31	0.62	1.02	0.65	2.82	20	11	20	11	8	15	1	1	3	0.15	0	0	8	9	8	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-3-dimethylphenol	0	0.122	122.18	6.43	11.5	18.77	12.25	21	0.61	0.99	0.64	2.33	19	9	19	9	6	12	1	1	3	0.16	0	0	6	10	8	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-3-dinitrophenol	0	0.463	184.12	10.83	11.15	18.76	11.04	49	0.66	1.1	0.65	3.77	17	13	17	13	10	18	1	1	3	0.18	0	0	10	4	6	2	5	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-6-trichloro-1-3-dinitrobenzene	0	2.19	271.44	16.97	12.84	18.39	13.17	54.67	0.8	1.15	0.82	3.64	16	15	16	15	10	20	1	1	2	0.13	0	0	10	1	6	2	4	0	0	0	3	0	0	0	0	3	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-6-trimethylnitrobenzene	0	0.86	165.21	7.18	14.01	23.21	14.71	32.67	0.61	1.01	0.64	2.72	23	12	23	12	8	16	1	1	4	0.17	0	0	8	11	9	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-diaminophenol	0	0.127	124.16	7.3	10.29	17.21	10.74	25	0.61	1.01	0.63	2.78	17	9	17	9	6	12	1	1	3	0.18	0	0	6	8	6	2	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-dichloronitrobenzene	0	0.99	192	13.71	10.68	15.19	11.15	35.22	0.76	1.08	0.8	3.2	14	11	14	11	8	15	1	1	1	0.07	0	0	8	3	6	1	2	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-dichlorophenol	0	1.036	163	12.54	9.78	13.64	10.45	25.22	0.75	1.05	0.8	2.8	13	9	13	9	6	12	1	1	1	0.08	0	0	6	4	6	0	1	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-dimethylphenol	0	0.07	122.18	6.43	11.5	18.77	12.25	21	0.61	0.99	0.64	2.33	19	9	19	9	6	12	1	1	3	0.16	0	0	6	10	8	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-dinitrophenol	0	1.077	184.12	10.83	11.15	18.76	11.04	49	0.66	1.1	0.65	3.77	17	13	17	13	10	18	1	1	3	0.18	0	0	10	4	6	2	5	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-5-dibromonitrobenzene	0	1.37	280.9	20.06	11.38	15	12.14	32.5	0.81	1.07	0.87	2.95	14	11	14	11	8	15	1	1	1	0.07	0	0	8	3	6	1	2	0	0	0	0	2	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-5-dichloronitrobenzene	0	1.13	192	13.71	10.68	15.19	11.15	35.22	0.76	1.08	0.8	3.2	14	11	14	11	8	15	1	1	1	0.07	0	0	8	3	6	1	2	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-6-di-tert-butyl-4-methylpenol	0	1.796	220.39	5.51	22.68	38.98	24.55	33.17	0.57	0.97	0.61	2.07	40	16	40	16	6	19	1	1	10	0.25	0	0	6	24	15	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-6-dichloro-4-nitrophenol	0	0.632	208	13.87	11.2	16.52	11.61	40.89	0.75	1.1	0.77	3.41	15	12	15	12	8	16	1	1	2	0.13	0	0	8	3	6	1	3	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-6-dichlorophenol	0	0.735	163	12.54	9.78	13.64	10.45	25.22	0.75	1.05	0.8	2.8	13	9	13	9	6	12	1	1	1	0.08	0	0	6	4	6	0	1	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-6-difluorophenol	0	0.471	130.1	10.01	8.53	14.02	8.6	33	0.66	1.08	0.66	3.67	13	9	13	9	6	12	1	1	1	0.08	0	0	6	4	6	0	1	0	0	2	0	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-6-diiodo-4-nitrophenol	0	1.712	390.9	26.06	12.58	16.01	15.21	36.91	0.84	1.07	1.01	3.08	15	12	15	12	8	16	1	1	2	0.13	0	0	8	3	6	1	3	0	0	0	0	0	2	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-6-dimethylnitrobenzene	0	0.3	151.18	7.56	12.41	20.32	12.95	31	0.62	1.02	0.65	2.82	20	11	20	11	8	15	1	1	3	0.15	0	0	8	9	8	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-6-dinitro-4-methylphenol	0	1.229	198.15	9.91	12.74	21.64	12.8	50.67	0.64	1.08	0.64	3.62	20	14	20	14	10	19	1	1	4	0.2	0	0	10	6	7	2	5	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-6-dinitrophenol	0	0.539	184.12	10.83	11.15	18.76	11.04	49	0.66	1.1	0.65	3.77	17	13	17	13	10	18	1	1	3	0.18	0	0	10	4	6	2	5	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-allylphenol	0	0.334	134.19	6.71	12.5	19.77	13.25	23.83	0.63	0.99	0.66	2.38	20	10	20	10	7	14	1	1	3	0.15	1	0	6	10	9	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-amino-4-tert-butyphenol	0	0.366	165.26	6.12	15.69	26.65	16.77	28.25	0.58	0.99	0.62	2.35	27	12	27	12	6	15	1	1	6	0.22	0	0	6	15	10	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-amino-5-chlorobenzonitrile	0	0.44	152.59	10.17	10.92	15.31	11.38	27.61	0.73	1.02	0.76	2.76	15	10	15	10	7	15	1	1	2	0.13	0	1	6	5	7	2	0	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-aminonitrobenzene	0	0.077	138.14	8.63	10.21	16.65	10.44	31.33	0.64	1.04	0.65	3.13	16	10	16	10	8	14	1	1	2	0.13	0	0	8	6	6	2	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-bromo-4-methylphenol	0	0.599	187.04	11.69	10.99	16.11	11.84	21.75	0.69	1.01	0.74	2.42	16	9	16	9	6	12	1	1	2	0.13	0	0	6	7	7	0	1	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-bromophenol	0	0.33	173.01	13.31	9.39	13.22	10.08	20.08	0.72	1.02	0.78	2.51	13	8	13	8	6	11	1	1	1	0.08	0	0	6	5	6	0	1	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-chloro-5-methylphenol	0	0.393	142.59	8.91	10.64	16.2	11.35	23.11	0.66	1.01	0.71	2.57	16	9	16	9	6	12	1	1	2	0.13	0	0	6	7	7	0	1	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-cyanoaniline	0	-0.5	118.15	7.88	10.18	14.99	10.52	23.83	0.68	1	0.7	2.65	15	9	15	9	7	14	1	1	2	0.13	0	1	6	6	7	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-cyanophenol	0	0.034	119.13	8.51	9.7	14.21	9.98	25.83	0.69	1.02	0.71	2.87	14	9	14	9	7	14	1	1	2	0.14	0	1	6	5	7	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-ethoxyphenol	0	-0.358	138.18	6.91	12.01	20.1	12.7	24.33	0.6	1.01	0.64	2.43	20	10	20	10	6	13	1	1	4	0.2	0	0	6	10	8	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-ethylphenol	0	0.16	122.18	6.43	11.5	18.77	12.25	20.83	0.61	0.99	0.64	2.31	19	9	19	9	6	12	1	1	3	0.16	0	0	6	10	8	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-hydroxybenzaldehyde	0	0.424	122.13	8.14	9.82	15.32	10.19	26.33	0.65	1.02	0.68	2.93	15	9	15	9	8	13.5	1	1	1	0.07	1	0	7	6	7	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-isopropylphenol	0	0.798	136.21	6.19	13.1	21.66	14	22.67	0.6	0.98	0.64	2.27	22	10	22	10	6	13	1	1	4	0.18	0	0	6	12	9	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-methoxyphenol	0	-0.51	124.15	7.3	10.41	17.21	10.94	22.83	0.61	1.01	0.64	2.54	17	9	17	9	6	12	1	1	3	0.18	0	0	6	8	7	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-methyl-3-chloronitrobenzene	0	0.68	171.59	10.09	11.55	17.75	12.05	33.11	0.68	1.04	0.71	3.01	17	11	17	11	8	15	1	1	2	0.12	0	0	8	6	7	1	2	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-methylphenol	0	-0.295	108.15	6.76	9.9	15.88	10.49	19.33	0.62	0.99	0.66	2.42	16	8	16	8	6	11	1	1	2	0.13	0	0	6	8	7	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-nitro-benzamide	0	-0.721	166.15	9.23	11.72	18.98	11.89	40	0.65	1.05	0.66	3.33	18	12	18	12	10	17.5	1	1	2	0.11	1	0	9	6	7	2	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-nitro-benzioc_acid	0	-1.637	167.13	9.83	11.24	18.21	11.34	42	0.66	1.07	0.67	3.5	17	12	17	12	10	17.5	1	1	2	0.12	1	0	9	5	7	1	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-phenyl-nitrobenzene	0	1.301	199.22	8.3	16.41	24.32	16.95	39	0.68	1.01	0.71	2.6	24	15	25	16	15	23.5	2	2	1	0.04	0	0	15	9	12	1	2	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	2	01101    0    0    0
2-tolunitrile	0	-0.24	117.16	7.32	10.79	15.77	11.28	21.83	0.67	0.99	0.7	2.43	16	9	16	9	7	14	1	1	2	0.13	0	1	6	7	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-4-5-6-tetrabromo-2-methylphenol	0	2.574	423.71	26.48	14.24	16.8	15.9	29	0.89	1.05	0.99	2.42	16	12	16	12	6	15	1	1	2	0.13	0	0	6	4	7	0	1	0	0	0	0	4	0	0	0	4	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-4-dichloronitrobenzene	0	1.16	192	13.71	10.68	15.19	11.15	35.22	0.76	1.08	0.8	3.2	14	11	14	11	8	15	1	1	1	0.07	0	0	8	3	6	1	2	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-4-dimethylphenol	0	0.122	122.18	6.43	11.5	18.77	12.25	21	0.61	0.99	0.64	2.33	19	9	19	9	6	12	1	1	3	0.16	0	0	6	10	8	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-5-dibromosalicylaldehyde	0	1.638	279.91	18.66	11.99	15.78	12.89	31.17	0.8	1.05	0.86	2.83	15	11	15	11	8	15.5	1	1	1	0.07	1	0	7	4	7	0	2	0	0	0	0	2	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-5-dichloronitrobenzene	0	1.13	192	13.71	10.68	15.19	11.15	35.22	0.76	1.08	0.8	3.2	14	11	14	11	8	15	1	1	1	0.07	0	0	8	3	6	1	2	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-5-dichlorophenol	0	1.569	163	12.54	9.78	13.64	10.45	25.22	0.75	1.05	0.8	2.8	13	9	13	9	6	12	1	1	1	0.08	0	0	6	4	6	0	1	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-5-dimethylphenol	0	0.113	122.18	6.43	11.5	18.77	12.25	21	0.61	0.99	0.64	2.33	19	9	19	9	6	12	1	1	3	0.16	0	0	6	10	8	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-amino-4-hydroxybenzenesulfonic_acid	0	-1.053	189.21	9.96	11.92	20.17	12.75	41.92	0.63	1.06	0.67	3.49	19	12	19	12	8	17	1	1	4	0.21	2	0	6	7	6	1	4	0	1	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-amino-nitrobenzene	0	0.026	138.14	8.63	10.21	16.65	10.44	31.33	0.64	1.04	0.65	3.13	16	10	16	10	8	14	1	1	2	0.13	0	0	8	6	6	2	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-bromonitrobenzene	0	0.75	202.01	14.43	10.3	14.77	10.79	30.08	0.74	1.06	0.77	3.01	14	10	14	10	8	14	1	1	1	0.07	0	0	8	4	6	1	2	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-bromonitrobenzene	0	1.03	202.01	14.43	10.3	14.77	10.79	30.08	0.74	1.06	0.77	3.01	14	10	14	10	8	14	1	1	1	0.07	0	0	8	4	6	1	2	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-chloro-5-methoxyphenol	0	0.757	158.59	9.33	11.15	17.53	11.8	26.61	0.66	1.03	0.69	2.66	17	10	17	10	6	13	1	1	3	0.18	0	0	6	7	7	0	2	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-chloronitrobenzene	0	0.73	157.56	11.25	9.95	14.87	10.29	31.44	0.71	1.06	0.74	3.14	14	10	14	10	8	14	1	1	1	0.07	0	0	8	4	6	1	2	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-chlorophenol	0	0.871	128.56	9.89	9.04	13.32	9.59	21.44	0.7	1.02	0.74	2.68	13	8	13	8	6	11	1	1	1	0.08	0	0	6	5	6	0	1	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-cyano-4-6-dimethyl-2-OH_pyridine	0	-0.7	148.18	7.8	12.29	19.21	12.74	30.17	0.65	1.01	0.67	2.74	19	11	19	11	7	16	1	1	4	0.21	0	1	6	8	8	2	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	01101    0    0    0
3-cyanophenol	0	-0.064	119.13	8.51	9.7	14.21	9.98	25.83	0.69	1.02	0.71	2.87	14	9	14	9	7	14	1	1	2	0.14	0	1	6	5	7	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-ethoxy-4-hydroxybenzaldehyde	0	0.015	166.19	7.55	13.52	22.43	14.16	33	0.61	1.02	0.64	2.75	22	12	22	12	8	16.5	1	1	4	0.18	1	0	7	10	9	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-fluorophenol	0	0.381	112.11	8.62	8.42	13.51	8.67	25.33	0.65	1.04	0.67	3.17	13	8	13	8	6	11	1	1	1	0.08	0	0	6	5	6	0	1	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-hydroxy-4-methoxybenzaldehyde	0	-0.141	152.16	8.01	11.93	19.54	12.4	31.5	0.63	1.03	0.65	2.86	19	11	19	11	8	15.5	1	1	3	0.16	1	0	7	8	8	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-hydroxy-benzyl_alcohol	0	-1.043	124.15	7.3	10.41	17.21	10.94	24.83	0.61	1.01	0.64	2.76	17	9	17	9	6	12	1	1	3	0.18	0	0	6	8	7	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-hydroxyacetophenone	0	-0.381	124.15	7.3	10.41	17.21	10.94	22.83	0.61	1.01	0.64	2.54	17	9	17	9	6	12	1	1	3	0.18	0	0	6	8	7	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-hydroxybenzaldehyde	0	0.085	120.16	7.07	10.9	16.88	11.49	22.33	0.64	0.99	0.68	2.48	17	9	17	9	8	13.5	1	1	1	0.06	1	0	7	8	8	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-hydroxybenzioc_acid	0	-0.814	138.13	8.63	10.33	16.66	10.64	32	0.65	1.04	0.67	3.2	16	10	16	10	8	14.5	1	1	2	0.13	1	0	7	6	7	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-isopopylphenol	0	0.612	136.21	6.19	13.1	21.66	14	22.67	0.6	0.98	0.64	2.27	22	10	22	10	6	13	1	1	4	0.18	0	0	6	12	9	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-methoxy-4-hydroxybenzaldehyde	0	-0.03	152.16	8.01	11.93	19.54	12.4	31.5	0.63	1.03	0.65	2.86	19	11	19	11	8	15.5	1	1	3	0.16	1	0	7	8	8	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-methoxybenzonitrile	0	0.048	133.16	7.83	11.3	17.1	11.73	25.33	0.66	1.01	0.69	2.53	17	10	17	10	7	15	1	1	3	0.18	0	1	6	7	8	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-methoxyphenol	0	-0.326	124.15	7.3	10.41	17.21	10.94	22.83	0.61	1.01	0.64	2.54	17	9	17	9	6	12	1	1	3	0.18	0	0	6	8	7	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-methoxysalicylaldehyde	0	0.377	152.16	8.01	11.93	19.54	12.4	31.5	0.63	1.03	0.65	2.86	19	11	19	11	8	15.5	1	1	3	0.16	1	0	7	8	8	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-methyl-4-bromonitrobenzene	0	1.16	216.04	12.71	11.9	17.66	12.54	31.75	0.7	1.04	0.74	2.89	17	11	17	11	8	15	1	1	2	0.12	0	0	8	6	7	1	2	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-methyl-4-nitrophenol	0	1.729	153.15	8.51	11.32	18.76	11.64	35	0.63	1.04	0.65	3.18	18	11	18	11	8	15	1	1	3	0.17	0	0	8	7	7	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-nitrobenzonitrile	0	0.45	148.13	9.88	10.61	15.76	10.68	35.83	0.71	1.05	0.71	3.26	15	11	15	11	9	17	1	1	2	0.13	0	1	8	4	7	2	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-phenyl-nitrobenzene	0	1.569	199.22	8.3	16.41	24.32	16.95	39	0.68	1.01	0.71	2.6	24	15	25	16	15	23.5	2	2	1	0.04	0	0	15	9	12	1	2	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	2	01101    0    0    0
4-6-trichloro-1-2-dinitrobenzene	0	2.42	237	14.81	12.1	18.07	12.31	50.89	0.76	1.13	0.77	3.63	16	14	16	14	10	19	1	1	2	0.13	0	0	10	2	6	2	4	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-amino-2-cresol	0	1.307	123.17	6.84	10.9	17.99	11.49	23	0.61	1	0.64	2.56	18	9	18	9	6	12	1	1	3	0.17	0	0	6	9	7	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-amino-2-nitrophenol	0	0.879	154.14	9.07	10.72	17.98	10.89	37	0.63	1.06	0.64	3.36	17	11	17	11	8	15	1	1	3	0.18	0	0	8	6	6	2	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-biphenylcarbonitrile	0	1.24	179.23	7.79	16.38	22.66	17.04	31.5	0.71	0.99	0.74	2.25	23	14	24	15	14	23.5	2	2	1	0.04	0	1	13	9	13	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	2	01101    0    0    0
4-bromo-2-6-dichlorophenol	0	1.778	241.89	18.61	10.86	13.87	11.8	27.64	0.84	1.07	0.91	2.76	13	10	13	10	6	13	1	1	1	0.08	0	0	6	3	6	0	1	0	0	0	2	1	0	0	0	3	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-bromo-6-chloro-2-methylphenol	0	1.276	221.48	13.84	11.72	16.43	12.7	25.53	0.73	1.03	0.79	2.55	16	10	16	10	6	13	1	1	2	0.13	0	0	6	6	7	0	1	0	0	0	1	1	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-chloro-2-isopropyl-5-methylphenol	0	1.854	184.68	7.39	15.43	24.87	16.62	28.11	0.62	0.99	0.66	2.34	25	12	25	12	6	15	1	1	5	0.2	0	0	6	13	10	0	1	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-chloro-2-methylphenol	0	0.701	142.59	8.91	10.64	16.2	11.35	23.11	0.66	1.01	0.71	2.57	16	9	16	9	6	12	1	1	2	0.13	0	0	6	7	7	0	1	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-chlorobenzonitrile	0	0	137.57	10.58	9.92	13.2	10.38	23.94	0.76	1.02	0.8	2.66	13	9	13	9	7	14	1	1	1	0.08	0	1	6	4	7	1	0	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-chloronitrobenzene	0	0.43	157.56	11.25	9.95	14.87	10.29	31.44	0.71	1.06	0.74	3.14	14	10	14	10	8	14	1	1	1	0.07	0	0	8	4	6	1	2	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-cresol	0	-0.184	108.15	6.76	9.9	15.88	10.49	19.33	0.62	0.99	0.66	2.42	16	8	16	8	6	11	1	1	2	0.13	0	0	6	8	7	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-cyanoaniline	0	0.25	118.15	7.88	10.18	14.99	10.52	23.83	0.68	1	0.7	2.65	15	9	15	9	7	14	1	1	2	0.13	0	1	6	6	7	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-cyanobenzaldehyde	0	0.042	131.14	8.74	10.7	15.21	10.98	28.83	0.71	1.01	0.73	2.88	15	10	15	10	9	16.5	1	1	1	0.07	1	1	7	5	8	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-cyclopentylphenol	0	1.292	162.25	6.24	15.7	25.55	16.76	24.67	0.6	0.98	0.64	2.06	26	12	27	13	6	16	2	2	1	0.04	0	0	6	14	11	0	1	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0	1	01101    0    0    0
4-ethoxynitrobenzene	0	0.544	167.18	7.96	12.92	21.65	13.4	34.33	0.62	1.03	0.64	2.86	21	12	21	12	8	16	1	1	4	0.19	0	0	8	9	8	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-ethyl-nitrobenzene	0	0.796	151.18	7.56	12.41	20.32	12.95	30.83	0.62	1.02	0.65	2.8	20	11	20	11	8	15	1	1	3	0.15	0	0	8	9	8	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-ethylphenol	0	0.205	122.18	6.43	11.5	18.77	12.25	20.83	0.61	0.99	0.64	2.31	19	9	19	9	6	12	1	1	3	0.16	0	0	6	10	8	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-fluorobenzonitrile	0	-0.26	121.12	9.32	9.3	13.4	9.46	27.83	0.72	1.03	0.73	3.09	13	9	13	9	7	14	1	1	1	0.08	0	1	6	4	7	1	0	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-heptyloxyphenol	0	2.033	194.3	6.07	18.4	31.65	19.73	30.33	0.58	0.99	0.62	2.17	32	14	32	14	6	17	1	1	8	0.25	0	0	6	18	12	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-hexyloxyphenol	0	1.638	194.3	6.07	18.4	31.65	19.73	30.33	0.58	0.99	0.62	2.17	32	14	32	14	6	17	1	1	8	0.25	0	0	6	18	12	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-hydroxybenzaldehyde	0	0.266	122.13	8.14	9.82	15.32	10.19	26.33	0.65	1.02	0.68	2.93	15	9	15	9	8	13.5	1	1	1	0.07	1	0	7	6	7	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-hydroxybenzamide	0	-0.78	137.15	8.07	10.81	17.43	11.19	30	0.64	1.03	0.66	3	17	10	17	10	8	14.5	1	1	2	0.12	1	0	7	7	7	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-hydroxypropiophenone	0	0.053	152.21	6.62	13.61	22.99	14.46	25.83	0.59	1	0.63	2.35	23	11	23	11	6	14	1	1	5	0.22	0	0	6	12	9	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-isopropylphenol	0	0.473	136.21	6.19	13.1	21.66	14	22.67	0.6	0.98	0.64	2.27	22	10	22	10	6	13	1	1	4	0.18	0	0	6	12	9	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-methoxyphenol	0	-0.143	124.15	7.3	10.41	17.21	10.94	22.83	0.61	1.01	0.64	2.54	17	9	17	9	6	12	1	1	3	0.18	0	0	6	8	7	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-methyl-2-nitrophenol	0	0.571	153.15	8.51	11.32	18.76	11.64	35	0.63	1.04	0.65	3.18	18	11	18	11	8	15	1	1	3	0.17	0	0	8	7	7	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-methyl-3-nitrophenol	0	0.74	153.15	8.51	11.32	18.76	11.64	35	0.63	1.04	0.65	3.18	18	11	18	11	8	15	1	1	3	0.17	0	0	8	7	7	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-methylcyano-nitrobenzene	0	0.569	162.16	9.01	12.21	18.65	12.44	37.33	0.68	1.04	0.69	3.11	18	12	18	12	9	18	1	1	3	0.17	0	1	8	6	8	2	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-methylcyanophenol	0	-0.384	137.2	6.53	12.49	20.88	13.25	24.33	0.59	0.99	0.63	2.43	21	10	21	10	6	13	1	1	4	0.19	0	0	6	11	8	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-methylnitrobenzene	0	0.17	137.15	8.07	10.81	17.43	11.19	29.33	0.64	1.03	0.66	2.93	17	10	17	10	8	14	1	1	2	0.12	0	0	8	7	7	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-nitro-benzamide	0	0.71	166.15	9.23	11.72	18.98	11.89	40	0.65	1.05	0.66	3.33	18	12	18	12	10	17.5	1	1	2	0.11	1	0	9	6	7	2	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-nitro-benzoic_acid	0	0.101	167.13	9.83	11.24	18.21	11.34	42	0.66	1.07	0.67	3.5	17	12	17	12	10	17.5	1	1	2	0.12	1	0	9	5	7	1	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-nitro-chlorotoluene	0	0.132	171.59	10.09	11.55	17.75	12.05	32.94	0.68	1.04	0.71	2.99	17	11	17	11	8	15	1	1	2	0.12	0	0	8	6	7	1	2	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-nitro-toluene	0	0.35	137.15	8.07	10.81	17.43	11.19	29.33	0.64	1.03	0.66	2.93	17	10	17	10	8	14	1	1	2	0.12	0	0	8	7	7	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-nitrophenol	0	1.42	139.12	9.27	9.73	15.87	9.89	33.33	0.65	1.06	0.66	3.33	15	10	15	10	8	14	1	1	2	0.13	0	0	8	5	6	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-propylphenol	0	0.643	136.21	6.19	13.1	21.66	14	22.33	0.6	0.98	0.64	2.23	22	10	22	10	6	13	1	1	4	0.18	0	0	6	12	9	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-sec-butylphenol	0	0.979	150.24	6.01	14.7	24.55	15.76	24.17	0.59	0.98	0.63	2.2	25	11	25	11	6	14	1	1	5	0.2	0	0	6	14	10	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-tert-octylphenol	0	2.097	206.36	5.58	21.09	36.1	22.79	30.58	0.57	0.98	0.62	2.04	37	15	37	15	6	18	1	1	9	0.24	0	0	6	22	14	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
5-amino-2-methoxyphenol	0	0.45	139.17	7.32	11.41	19.32	11.95	26.5	0.6	1.02	0.63	2.65	19	10	19	10	6	13	1	1	4	0.21	0	0	6	9	7	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
5-bromovanillin	0	0.617	233.07	11.1	13.61	21.66	14.51	30.42	0.65	1.03	0.69	2.53	21	12	21	12	6	15	1	1	5	0.24	0	0	6	9	8	0	3	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
5-fluoro-2-nitrophenol	0	1.125	157.11	10.47	9.84	16.39	9.82	41	0.66	1.09	0.65	3.73	15	11	15	11	8	15	1	1	2	0.13	0	0	8	4	6	1	3	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
6-iodo-1-3dinitrobenzene	0	2.12	294.01	18.38	12.06	17.49	13.25	45.12	0.75	1.09	0.83	3.47	16	13	16	13	10	18	1	1	2	0.13	0	0	10	3	6	2	4	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
6-methyl-1-3-dinitrobenzene	0	0.87	182.15	9.59	12.23	20.31	12.35	45	0.64	1.07	0.65	3.46	19	13	19	13	10	18	1	1	3	0.16	0	0	10	6	7	2	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
Molecule 1	0		214.24	8.24	17.4	26.43	17.95	41.5	0.67	1.02	0.69	2.59	26	16	27	17	14	24	2	2	3	0.11	0	0	14	10	12	2	2	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	2	01101    0    0    0
benzonitrile	0	-0.52	103.13	7.93	9.19	12.88	9.52	20.17	0.71	0.99	0.73	2.52	13	8	13	8	7	13	1	1	1	0.08	0	1	6	5	7	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
ethyl-4-hydroxybenzoate	0	0.573	166.19	7.55	13.52	22.43	14.16	33	0.61	1.02	0.64	2.75	22	12	22	12	8	16.5	1	1	4	0.18	1	0	7	10	9	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
methyl-3-hydroxybenzoate	0	-0.046	152.16	8.01	11.93	19.54	12.4	31.5	0.63	1.03	0.65	2.86	19	11	19	11	8	15.5	1	1	3	0.16	1	0	7	8	8	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
nonylphenol	0	2.468	204.39	5.24	22.17	37.65	24.1	25.67	0.57	0.97	0.62	1.71	39	15	39	15	6	18	1	1	9	0.23	0	0	6	24	15	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
pentachlorophenol	0	2.049	266.32	20.49	11.98	14.6	13.03	36.56	0.92	1.12	1	3.05	13	12	13	12	6	15	1	1	1	0.08	0	0	6	1	6	0	1	0	0	0	5	0	0	0	0	5	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
salicylaldoxime	0	0.253	137.15	8.07	10.81	17.43	11.19	28.33	0.64	1.03	0.66	2.83	17	10	17	10	8	14	1	1	2	0.12	0	0	8	7	7	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
slicylhydroxamic_acid	0	0.379	153.15	8.51	11.32	18.76	11.64	34.5	0.63	1.04	0.65	3.14	18	11	18	11	8	15.5	1	1	3	0.17	1	0	7	7	7	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
syringaldehyde	0	0.168	182.19	7.92	14.04	23.76	14.61	36.67	0.61	1.03	0.64	2.82	23	13	23	13	8	17.5	1	1	5	0.22	1	0	7	10	9	0	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
unknown	0		168.17	8.41	12.32	20.87	12.65	37.33	0.62	1.04	0.63	3.11	20	12	20	12	8	16	1	1	4	0.2	0	0	8	8	7	2	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
unknown	0		181.16	9.06	12.83	21.09	13.1	41.5	0.64	1.05	0.66	3.19	20	13	20	13	10	18.5	1	1	3	0.15	1	0	9	7	8	1	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
unknown	0		195.19	8.49	14.43	23.98	14.86	43	0.63	1.04	0.65	3.07	23	14	23	14	10	19.5	1	1	4	0.17	1	0	9	9	9	1	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
1-2-dichloro-4-5-dinitrobenzene	1	2.21	237	14.81	12.1	18.07	12.31	50.89	0.76	1.13	0.77	3.63	16	14	16	14	10	19	1	1	2	0.13	0	0	10	2	6	2	4	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
1-2-dicyanobenzene	1	-0.34	128.14	9.15	10.59	14.1	10.77	28.33	0.76	1.01	0.77	2.83	14	10	14	10	8	17	1	1	2	0.14	0	2	6	4	8	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
1-3-dinitrobenzene	1	0.89	168.12	10.51	10.63	17.42	10.59	43.33	0.66	1.09	0.66	3.61	16	12	16	12	10	17	1	1	2	0.13	0	0	10	4	6	2	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
1-cyanonaphthalene	1	0.69	153.19	8.06	13.79	18.77	14.28	27.5	0.73	0.99	0.75	2.29	19	12	20	13	12	20.5	2	3	1	0.05	0	1	11	7	11	1	0	0	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	1	0	0	2	01101    0    0    0
2-3-4-5-tetrachloronitrobenzene	1	1.78	260.88	18.63	12.16	15.83	12.87	42.78	0.87	1.13	0.92	3.29	14	13	14	13	8	17	1	1	1	0.07	0	0	8	1	6	1	2	0	0	0	4	0	0	0	0	4	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-3-4-5-tetrschlorophenol	1	2.712	231.88	17.84	11.25	14.28	12.17	32.78	0.87	1.1	0.94	2.98	13	11	13	11	6	14	1	1	1	0.08	0	0	6	2	6	0	1	0	0	0	4	0	0	0	0	4	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-3-4-trichloronitrobenzene	1	1.51	226.44	16.17	11.42	15.51	12.01	39	0.82	1.11	0.86	3.25	14	12	14	12	8	16	1	1	1	0.07	0	0	8	2	6	1	2	0	0	0	3	0	0	0	0	3	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-3-5-6-tetrachloronitrobenzene	1	1.82	260.88	18.63	12.16	15.83	12.87	42.78	0.87	1.13	0.92	3.29	14	13	14	13	8	17	1	1	1	0.07	0	0	8	1	6	1	2	0	0	0	4	0	0	0	0	4	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-3-6-trimethylphenol	1	0.277	136.21	6.19	13.1	21.66	14	22.67	0.6	0.98	0.64	2.27	22	10	22	10	6	13	1	1	4	0.18	0	0	6	12	9	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-3-dichloronitrobenzene	1	1.07	192	13.71	10.68	15.19	11.15	35.22	0.76	1.08	0.8	3.2	14	11	14	11	8	15	1	1	1	0.07	0	0	8	3	6	1	2	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-5-trichloro-1-3-dinitrobenzene	1	2.59	271.44	16.97	12.84	18.39	13.17	54.67	0.8	1.15	0.82	3.64	16	15	16	15	10	20	1	1	2	0.13	0	0	10	1	6	2	4	0	0	0	3	0	0	0	0	3	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-5-trichloronitrobenzene	1	1.53	226.44	16.17	11.42	15.51	12.01	39	0.82	1.11	0.86	3.25	14	12	14	12	8	16	1	1	1	0.07	0	0	8	2	6	1	2	0	0	0	3	0	0	0	0	3	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-5-trichlorophenol	1	2.097	197.44	15.19	10.51	13.96	11.31	29	0.81	1.07	0.87	2.9	13	10	13	10	6	13	1	1	1	0.08	0	0	6	3	6	0	1	0	0	0	3	0	0	0	0	3	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-6-teichlorophenol	1	1.41	197.44	15.19	10.51	13.96	11.31	29	0.81	1.07	0.87	2.9	13	10	13	10	6	13	1	1	1	0.08	0	0	6	3	6	0	1	0	0	0	3	0	0	0	0	3	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-6-tribromophenol	1	2.03	330.79	25.45	11.56	13.68	12.79	24.92	0.89	1.05	0.98	2.49	13	10	13	10	6	13	1	1	1	0.08	0	0	6	3	6	0	1	0	0	0	0	3	0	0	0	3	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-6-trichloronitrobenzene	1	1.43	226.44	16.17	11.42	15.51	12.01	39	0.82	1.11	0.86	3.25	14	12	14	12	8	16	1	1	1	0.07	0	0	8	2	6	1	2	0	0	0	3	0	0	0	0	3	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-6-trimethylphenol	1	0.281	136.21	6.19	13.1	21.66	14	22.67	0.6	0.98	0.64	2.27	22	10	22	10	6	13	1	1	4	0.18	0	0	6	12	9	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-6-trinitrophenol	1	-0.155	229.12	12.06	12.57	21.64	12.2	64.67	0.66	1.14	0.64	4.04	19	16	19	16	12	22	1	1	4	0.21	0	0	12	3	6	3	7	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-dibromophenol	1	1.398	251.9	19.38	10.47	13.45	11.44	22.5	0.81	1.03	0.88	2.5	13	9	13	9	6	12	1	1	1	0.08	0	0	6	4	6	0	1	0	0	0	0	2	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-dichloro-6-nitrophenol	1	1.745	208	13.87	11.2	16.52	11.61	40.89	0.75	1.1	0.77	3.41	15	12	15	12	8	16	1	1	2	0.13	0	0	8	3	6	1	3	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-4-difluorophenol	1	0.604	130.1	10.01	8.53	14.02	8.6	33	0.66	1.08	0.66	3.67	13	9	13	9	6	12	1	1	1	0.08	0	0	6	4	6	0	1	0	0	2	0	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-5-dichlorophenol	1	1.125	163	12.54	9.78	13.64	10.45	25.22	0.75	1.05	0.8	2.8	13	9	13	9	6	12	1	1	1	0.08	0	0	6	4	6	0	1	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-5-dimethylphenol	1	0.081	122.18	6.43	11.5	18.77	12.25	21	0.61	0.99	0.64	2.33	19	9	19	9	6	12	1	1	3	0.16	0	0	6	10	8	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-5-dinitrophenol	1	0.95	184.12	10.83	11.15	18.76	11.04	49	0.66	1.1	0.65	3.77	17	13	17	13	10	18	1	1	3	0.18	0	0	10	4	6	2	5	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-6-dibromo-4-nitrophenol	1	1.356	296.9	19.79	11.89	16.33	12.59	38.17	0.79	1.09	0.84	3.18	15	12	15	12	8	16	1	1	2	0.13	0	0	8	3	6	1	3	0	0	0	0	2	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-6-dichloro-4-fluorophenol	1	0.804	180.99	13.92	9.89	14.15	10.39	32.89	0.76	1.09	0.8	3.29	13	10	13	10	6	13	1	1	1	0.08	0	0	6	3	6	0	1	0	0	1	2	0	0	0	0	3	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-6-dimethoxyphenol	1	-0.598	154.18	7.34	12.52	21.43	13.16	28	0.6	1.02	0.63	2.55	21	11	21	11	6	14	1	1	5	0.24	0	0	6	10	8	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-amino-4-chloro-5-nitrophenol	1	1.174	188.58	11.09	11.45	18.3	11.75	40.78	0.67	1.08	0.69	3.4	17	12	17	12	8	16	1	1	3	0.18	0	0	8	5	6	2	3	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-amino-4-chlorophenol	1	0.775	143.58	9.57	10.03	15.42	10.59	25.11	0.67	1.03	0.71	2.79	15	9	15	9	6	12	1	1	2	0.13	0	0	6	6	6	1	1	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-amino-4-nitrophenol	1	0.475	154.14	9.07	10.72	17.98	10.89	37	0.63	1.06	0.64	3.36	17	11	17	11	8	15	1	1	3	0.18	0	0	8	6	6	2	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-aminophenol	1	0.939	109.14	7.28	9.3	15.1	9.73	21.33	0.62	1.01	0.65	2.67	15	8	15	8	6	11	1	1	2	0.13	0	0	6	7	6	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-chloro-4-5-dimethylphenol	1	0.688	156.62	8.24	12.24	19.09	13.11	24.78	0.64	1	0.69	2.48	19	10	19	10	6	13	1	1	3	0.16	0	0	6	9	8	0	1	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-chloro-4-nitrophenol	1	1.585	173.56	11.57	10.46	16.2	10.75	37.11	0.7	1.08	0.72	3.37	15	11	15	11	8	15	1	1	2	0.13	0	0	8	4	6	1	3	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-chlorobenzonitrile	1	0.28	137.57	10.58	9.92	13.2	10.38	23.94	0.76	1.02	0.8	2.66	13	9	13	9	7	14	1	1	1	0.08	0	1	6	4	7	1	0	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-chloromethyl-4-nitrophenol	1	0.75	187.59	10.42	12.06	19.08	12.5	38.61	0.67	1.06	0.69	3.22	18	12	18	12	8	16	1	1	3	0.17	0	0	8	6	7	1	3	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-chloronitrobenzene	1	0.68	157.56	11.25	9.95	14.87	10.29	31.44	0.71	1.06	0.74	3.14	14	10	14	10	8	14	1	1	1	0.07	0	0	8	4	6	1	2	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-chlorophenol	1	0.183	128.56	9.89	9.04	13.32	9.59	21.44	0.7	1.02	0.74	2.68	13	8	13	8	6	11	1	1	1	0.08	0	0	6	5	6	0	1	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-cyanophenol	1	0.034	119.13	8.51	9.7	14.21	9.98	25.83	0.69	1.02	0.71	2.87	14	9	14	9	7	14	1	1	2	0.14	0	1	6	5	7	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-cyanopyridine	1	-0.79	104.12	8.68	8.59	12.1	8.77	21.17	0.72	1.01	0.73	2.65	12	8	12	8	7	13	1	1	1	0.08	0	1	6	4	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	01101    0    0    0
2-fluorophenol	1	0.185	112.11	8.62	8.42	13.51	8.67	25.33	0.65	1.04	0.67	3.17	13	8	13	8	6	11	1	1	1	0.08	0	0	6	5	6	0	1	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-hydroxy-4-5-dimethylacetophenone	1	0.707	154.18	7.34	12.52	21.43	13.16	30.17	0.6	1.02	0.63	2.74	21	11	21	11	6	14	1	1	5	0.24	0	0	6	10	8	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-hydroxy-benzyl_alcohol	1	-0.954	124.15	7.3	10.41	17.21	10.94	24.83	0.61	1.01	0.64	2.76	17	9	17	9	6	12	1	1	3	0.18	0	0	6	8	7	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-hydroxy-nitrobenzene	1	0.77	139.12	9.27	9.73	15.87	9.89	33.33	0.65	1.06	0.66	3.33	15	10	15	10	8	14	1	1	2	0.13	0	0	8	5	6	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-hydroxyacetophenone	1	0.078	124.15	7.3	10.41	17.21	10.94	22.83	0.61	1.01	0.64	2.54	17	9	17	9	6	12	1	1	3	0.18	0	0	6	8	7	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-hydroxybenzamide	1	-0.242	137.15	8.07	10.81	17.43	11.19	30	0.64	1.03	0.66	3	17	10	17	10	8	14.5	1	1	2	0.12	1	0	7	7	7	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-hydroxybenzoic_acid	1	-0.512	138.13	8.63	10.33	16.66	10.64	32	0.65	1.04	0.67	3.2	16	10	16	10	8	14.5	1	1	2	0.13	1	0	7	6	7	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-methyl-5-chloronitrobenzene	1	0.82	171.59	10.09	11.55	17.75	12.05	33.11	0.68	1.04	0.71	3.01	17	11	17	11	8	15	1	1	2	0.12	0	0	8	6	7	1	2	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-methyl-nitrobenzene	1	0.479	137.15	8.07	10.81	17.43	11.19	29.33	0.64	1.03	0.66	2.93	17	10	17	10	8	14	1	1	2	0.12	0	0	8	7	7	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-methylnitrobenzene	1	0.052	137.15	8.07	10.81	17.43	11.19	29.33	0.64	1.03	0.66	2.93	17	10	17	10	8	14	1	1	2	0.12	0	0	8	7	7	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-nitro-benzaldehyde	1	0.174	151.13	9.45	10.73	16.87	10.89	36.33	0.67	1.05	0.68	3.3	16	11	16	11	10	16.5	1	1	1	0.06	1	0	9	5	7	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-nitro-toluol	1	-0.155	153.15	8.51	11.32	18.76	11.64	34.83	0.63	1.04	0.65	3.17	18	11	18	11	8	15	1	1	3	0.17	0	0	8	7	7	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-nitrobenzonitrile	1	1.08	148.13	9.88	10.61	15.76	10.68	35.83	0.71	1.05	0.71	3.26	15	11	15	11	9	17	1	1	2	0.13	0	1	8	4	7	2	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-tert-butyl-4-methylphenol	1	1.301	164.27	5.87	16.29	27.43	17.52	26.25	0.58	0.98	0.63	2.19	28	12	28	12	6	15	1	1	6	0.21	0	0	6	16	11	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
2-tert-butylphenol	1	1.295	150.24	6.01	14.7	24.55	15.76	24.58	0.59	0.98	0.63	2.23	25	11	25	11	6	14	1	1	5	0.2	0	0	6	14	10	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-4-5-trimethylphenol	1	0.932	136.21	6.19	13.1	21.66	14	22.67	0.6	0.98	0.64	2.27	22	10	22	10	6	13	1	1	4	0.18	0	0	6	12	9	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-4-dichlorophenol	1	1.745	163	12.54	9.78	13.64	10.45	25.22	0.75	1.05	0.8	2.8	13	9	13	9	6	12	1	1	1	0.08	0	0	6	4	6	0	1	0	0	0	2	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-4-dinitrobenzyl_alcohol	1	1.09	198.15	9.91	12.74	21.64	12.8	50.5	0.64	1.08	0.64	3.61	20	14	20	14	10	19	1	1	4	0.2	0	0	10	6	7	2	5	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-4-dinitrophenol	1	0.266	184.12	10.83	11.15	18.76	11.04	49	0.66	1.1	0.65	3.77	17	13	17	13	10	18	1	1	3	0.18	0	0	10	4	6	2	5	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-5-di-tert-butylphenol	1	1.638	206.36	5.58	21.09	36.1	22.79	31.5	0.57	0.98	0.62	2.1	37	15	37	15	6	18	1	1	9	0.24	0	0	6	22	14	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-5-dimethoxyphenol	1	-0.092	154.18	7.34	12.52	21.43	13.16	28	0.6	1.02	0.63	2.55	21	11	21	11	6	14	1	1	5	0.24	0	0	6	10	8	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-5-dinitrobenzyl_alcohol	1	0.53	198.15	9.91	12.74	21.64	12.8	50.5	0.64	1.08	0.64	3.61	20	14	20	14	10	19	1	1	4	0.2	0	0	10	6	7	2	5	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-acetamidophenol	1	-0.155	151.18	7.56	12.41	20.32	12.95	30.5	0.62	1.02	0.65	2.77	20	11	20	11	7	15	1	1	4	0.2	1	0	6	9	8	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-aminophenol	1	-0.524	109.14	7.28	9.3	15.1	9.73	21.33	0.62	1.01	0.65	2.67	15	8	15	8	6	11	1	1	2	0.13	0	0	6	7	6	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-bromophenol	1	1.145	173.01	13.31	9.39	13.22	10.08	20.08	0.72	1.02	0.78	2.51	13	8	13	8	6	11	1	1	1	0.08	0	0	6	5	6	0	1	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-chloro-4-fluorophenol	1	1.131	146.55	11.27	9.15	13.83	9.53	29.11	0.7	1.06	0.73	3.23	13	9	13	9	6	12	1	1	1	0.08	0	0	6	4	6	0	1	0	0	1	1	0	0	0	0	2	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-chlorobenzonitrile	1	-0.055	137.57	10.58	9.92	13.2	10.38	23.94	0.76	1.02	0.8	2.66	13	9	13	9	7	14	1	1	1	0.08	0	1	6	4	7	1	0	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-cresol	1	-0.063	108.15	6.76	9.9	15.88	10.49	19.33	0.62	0.99	0.66	2.42	16	8	16	8	6	11	1	1	2	0.13	0	0	6	8	7	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-cyanoaniline	1	-0.47	118.15	7.88	10.18	14.99	10.52	23.83	0.68	1	0.7	2.65	15	9	15	9	7	14	1	1	2	0.13	0	1	6	6	7	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-cyanobenzaldehyde	1	-0.019	131.14	8.74	10.7	15.21	10.98	28.83	0.71	1.01	0.73	2.88	15	10	15	10	9	16.5	1	1	1	0.07	1	1	7	5	8	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-cyanophenol	1	-0.065	119.13	8.51	9.7	14.21	9.98	25.83	0.69	1.02	0.71	2.87	14	9	14	9	7	14	1	1	2	0.14	0	1	6	5	7	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-cyanopyridine	1	-0.74	104.12	8.68	8.59	12.1	8.77	21.17	0.72	1.01	0.73	2.65	12	8	12	8	7	13	1	1	1	0.08	0	1	6	4	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	01101    0    0    0
3-ethoxy-4-methoxyphenol	1	-0.299	168.21	7.01	14.12	24.32	14.91	29.5	0.59	1.01	0.62	2.46	24	12	24	12	6	15	1	1	6	0.25	0	0	6	12	9	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-ethylphenol	1	0.228	122.18	6.43	11.5	18.77	12.25	20.83	0.61	0.99	0.64	2.31	19	9	19	9	6	12	1	1	3	0.16	0	0	6	10	8	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-iodophenol	1	1.119	220.01	16.92	9.73	13.06	11.39	19.45	0.75	1	0.88	2.43	13	8	13	8	6	11	1	1	1	0.08	0	0	6	5	6	0	1	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-methoxy-	1	0.67	153.15	8.51	11.32	18.76	11.64	32.83	0.63	1.04	0.65	2.98	18	11	18	11	8	15	1	1	3	0.17	0	0	8	7	7	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-methylnitrobenzene	1	0.054	137.15	8.07	10.81	17.43	11.19	29.33	0.64	1.03	0.66	2.93	17	10	17	10	8	14	1	1	2	0.12	0	0	8	7	7	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-nitro-acetophenone	1	0.317	153.15	8.51	11.32	18.76	11.64	32.83	0.63	1.04	0.65	2.98	18	11	18	11	8	15	1	1	3	0.17	0	0	8	7	7	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-nitro-benzaldehyde	1	0.14	151.13	9.45	10.73	16.87	10.89	36.33	0.67	1.05	0.68	3.3	16	11	16	11	10	16.5	1	1	1	0.06	1	0	9	5	7	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-nitro-benzamide	1	-0.193	166.15	9.23	11.72	18.98	11.89	40	0.65	1.05	0.66	3.33	18	12	18	12	10	17.5	1	1	2	0.11	1	0	9	6	7	2	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-nitro-benzoic_acid	1	-1.089	167.13	9.83	11.24	18.21	11.34	42	0.66	1.07	0.67	3.5	17	12	17	12	10	17.5	1	1	2	0.12	1	0	9	5	7	1	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-nitro-phenol	1	0.506	139.12	9.27	9.73	15.87	9.89	33.33	0.65	1.06	0.66	3.33	15	10	15	10	8	14	1	1	2	0.13	0	0	8	5	6	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-nitro-toluol	1	-0.22	153.15	8.51	11.32	18.76	11.64	34.83	0.63	1.04	0.65	3.17	18	11	18	11	8	15	1	1	3	0.17	0	0	8	7	7	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
3-tert-butylphenol	1	0.73	150.24	6.01	14.7	24.55	15.76	24.58	0.59	0.98	0.63	2.23	25	11	25	11	6	14	1	1	5	0.2	0	0	6	14	10	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
32-tolunitrile	1	-0.25	117.16	7.32	10.79	15.77	11.28	21.83	0.67	0.99	0.7	2.43	16	9	16	9	7	14	1	1	2	0.13	0	1	6	7	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-6-dinitro-2-methylphenol	1	1.721	198.15	9.91	12.74	21.64	12.8	50.67	0.64	1.08	0.64	3.62	20	14	20	14	10	19	1	1	4	0.2	0	0	10	6	7	2	5	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-acetamidophenol	1	-0.82	151.18	7.56	12.41	20.32	12.95	30.5	0.62	1.02	0.65	2.77	20	11	20	11	7	15	1	1	4	0.2	1	0	6	9	8	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-acetylbenzonitrile	1	-0.37	145.17	8.06	12.3	18.1	12.73	30.5	0.68	1.01	0.71	2.77	18	11	18	11	9	17.5	1	1	2	0.11	1	1	7	7	9	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-aminophenol	1	-0.076	109.14	7.28	9.3	15.1	9.73	21.33	0.62	1.01	0.65	2.67	15	8	15	8	6	11	1	1	2	0.13	0	0	6	7	6	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-bromo-2-6-dimethylphenol	1	1.167	201.07	10.58	12.59	19	13.6	23.42	0.66	1	0.72	2.34	19	10	19	10	6	13	1	1	3	0.16	0	0	6	9	8	0	1	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-bromo-3-5-dimethylphenol	1	1.268	201.07	10.58	12.59	19	13.6	23.42	0.66	1	0.72	2.34	19	10	19	10	6	13	1	1	3	0.16	0	0	6	9	8	0	1	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-bromo-nitrobenzene	1	0.559	202.01	14.43	10.3	14.77	10.79	30.08	0.74	1.06	0.77	3.01	14	10	14	10	8	14	1	1	1	0.07	0	0	8	4	6	1	2	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-bromobenzonitrile	1	0.29	182.02	14	10.27	13.11	10.87	22.58	0.79	1.01	0.84	2.51	13	9	13	9	7	14	1	1	1	0.08	0	1	6	4	7	1	0	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-bromonitrobenzene	1	0.38	202.01	14.43	10.3	14.77	10.79	30.08	0.74	1.06	0.77	3.01	14	10	14	10	8	14	1	1	1	0.07	0	0	8	4	6	1	2	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-bromophenol	1	0.68	173.01	13.31	9.39	13.22	10.08	20.08	0.72	1.02	0.78	2.51	13	8	13	8	6	11	1	1	1	0.08	0	0	6	5	6	0	1	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-butoxynitrobenzene	1	0.829	195.24	7.23	16.12	27.43	16.92	37.33	0.6	1.02	0.63	2.67	27	14	27	14	8	18	1	1	6	0.22	0	0	8	13	10	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-butoxyphenol	1	0.701	152.21	6.62	13.61	22.99	14.46	25.83	0.59	1	0.63	2.35	23	11	23	11	6	14	1	1	5	0.22	0	0	6	12	9	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-chloro-2-nitrophenol	1	2.053	173.56	11.57	10.46	16.2	10.75	37.11	0.7	1.08	0.72	3.37	15	11	15	11	8	15	1	1	2	0.13	0	0	8	4	6	1	3	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-chloro-3-5-dimethylphenol	1	1.201	156.62	8.24	12.24	19.09	13.11	24.78	0.64	1	0.69	2.48	19	10	19	10	6	13	1	1	3	0.16	0	0	6	9	8	0	1	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-chloro-3-ethylphenol	1	1.081	156.62	8.24	12.24	19.09	13.11	24.61	0.64	1	0.69	2.46	19	10	19	10	6	13	1	1	3	0.16	0	0	6	9	8	0	1	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-chloro-3-methylphenol	1	0.796	142.59	8.91	10.64	16.2	11.35	23.11	0.66	1.01	0.71	2.57	16	9	16	9	6	12	1	1	2	0.13	0	0	6	7	7	0	1	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-chloro-6-nitro-3-methylphenol	1	1.638	187.59	10.42	12.06	19.08	12.5	38.78	0.67	1.06	0.69	3.23	18	12	18	12	8	16	1	1	3	0.17	0	0	8	6	7	1	3	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-chloro-nitrobenzene	1	0.253	157.56	11.25	9.95	14.87	10.29	31.44	0.71	1.06	0.74	3.14	14	10	14	10	8	14	1	1	1	0.07	0	0	8	4	6	1	2	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-chlorophenol	1	0.545	128.56	9.89	9.04	13.32	9.59	21.44	0.7	1.02	0.74	2.68	13	8	13	8	6	11	1	1	1	0.08	0	0	6	5	6	0	1	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-cyano-nitrobenzene	1	0.461	148.13	9.88	10.61	15.76	10.68	35.83	0.71	1.05	0.71	3.26	15	11	15	11	9	17	1	1	2	0.13	0	1	8	4	7	2	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-cyanobenzamide	1	-0.38	146.16	8.6	11.69	17.32	11.98	32.5	0.69	1.02	0.7	2.95	17	11	17	11	9	17.5	1	1	2	0.12	1	1	7	6	8	2	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-cyanophenol	1	0.516	119.13	8.51	9.7	14.21	9.98	25.83	0.69	1.02	0.71	2.87	14	9	14	9	7	14	1	1	2	0.14	0	1	6	5	7	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-cyanophenol	1	0.52	119.13	8.51	9.7	14.21	9.98	25.83	0.69	1.02	0.71	2.87	14	9	14	9	7	14	1	1	2	0.14	0	1	6	5	7	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-cyanopyridine	1	-0.82	104.12	8.68	8.59	12.1	8.77	21.17	0.72	1.01	0.73	2.65	12	8	12	8	7	13	1	1	1	0.08	0	1	6	4	6	2	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	01101    0    0    0
4-ethoxyphenol	1	0.013	138.18	6.91	12.01	20.1	12.7	24.33	0.6	1.01	0.64	2.43	20	10	20	10	6	13	1	1	4	0.2	0	0	6	10	8	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-fluoro-nitrobenzene	1	1.42	141.11	10.08	9.32	15.06	9.37	35.33	0.67	1.08	0.67	3.53	14	10	14	10	8	14	1	1	1	0.07	0	0	8	4	6	1	2	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-fluorophenol	1	0.017	112.11	8.62	8.42	13.51	8.67	25.33	0.65	1.04	0.67	3.17	13	8	13	8	6	11	1	1	1	0.08	0	0	6	5	6	0	1	0	0	1	0	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-hydroxyacetophenone	1	-0.302	124.15	7.3	10.41	17.21	10.94	22.83	0.61	1.01	0.64	2.54	17	9	17	9	6	12	1	1	3	0.18	0	0	6	8	7	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-hydroxybenzoic_acid	1	-1.021	138.13	8.63	10.33	16.66	10.64	32	0.65	1.04	0.67	3.2	16	10	16	10	8	14.5	1	1	2	0.13	1	0	7	6	7	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-hydroxyphenethyl_alcohol	1	-0.826	138.18	6.91	12.01	20.1	12.7	26.33	0.6	1.01	0.64	2.63	20	10	20	10	6	13	1	1	4	0.2	0	0	6	10	8	0	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-iodophenol	1	0.854	220.01	16.92	9.73	13.06	11.39	19.45	0.75	1	0.88	2.43	13	8	13	8	6	11	1	1	1	0.08	0	0	6	5	6	0	1	0	0	0	0	0	1	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-methoxybenzonitrile	1	0.1	133.16	7.83	11.3	17.1	11.73	25.33	0.66	1.01	0.69	2.53	17	10	17	10	7	15	1	1	3	0.18	0	1	6	7	8	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-methoxynitrobenzene	1	0.804	153.15	8.51	11.32	18.76	11.64	32.83	0.63	1.04	0.65	2.98	18	11	18	11	8	15	1	1	3	0.17	0	0	8	7	7	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-nitro-benaldehyde	1	0.179	151.13	9.45	10.73	16.87	10.89	36.33	0.67	1.05	0.68	3.3	16	11	16	11	10	16.5	1	1	1	0.06	1	0	9	5	7	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-nitro-toluol	1	1.886	153.15	8.51	11.32	18.76	11.64	34.83	0.63	1.04	0.65	3.17	18	11	18	11	8	15	1	1	3	0.17	0	0	8	7	7	1	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-nitrobenzonitrile	1	0.57	148.13	9.88	10.61	15.76	10.68	35.83	0.71	1.05	0.71	3.26	15	11	15	11	9	17	1	1	2	0.13	0	1	8	4	7	2	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-nitrosophenol	1	0.654	123.12	8.79	9.21	14.54	9.43	27.33	0.66	1.04	0.67	3.04	14	9	14	9	8	13.5	1	1	1	0.07	1	0	7	5	6	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-tert-butylphenol	1	0.914	150.24	6.01	14.7	24.55	15.76	24.58	0.59	0.98	0.63	2.23	25	11	25	11	6	14	1	1	5	0.2	0	0	6	14	10	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-tert-pentylphenol	1	1.229	164.27	5.87	16.29	27.43	17.52	26.08	0.58	0.98	0.63	2.17	28	12	28	12	6	15	1	1	6	0.21	0	0	6	16	11	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
4-tolunitrile	1	-0.1	117.16	7.32	10.79	15.77	11.28	21.83	0.67	0.99	0.7	2.43	16	9	16	9	7	14	1	1	2	0.13	0	1	6	7	8	1	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
5-bromo-2-hydroxybenzyl_alcohol	1	0.343	203.04	11.94	11.5	17.44	12.3	27.25	0.68	1.03	0.72	2.72	17	10	17	10	6	13	1	1	3	0.18	0	0	6	7	7	0	2	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
5-hydroxy-2-nitrobenzaldehyde	1	0.33	167.13	9.83	11.24	18.21	11.34	42	0.66	1.07	0.67	3.5	17	12	17	12	10	17.5	1	1	2	0.12	1	0	9	5	7	1	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
5-methyl-1-2-dinitrobenzene	1	1.52	182.15	9.59	12.23	20.31	12.35	45	0.64	1.07	0.65	3.46	19	13	19	13	10	18	1	1	3	0.16	0	0	10	6	7	2	4	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
6-amino-2-4-dimethylphenol	1	0.886	137.2	6.53	12.49	20.88	13.25	24.67	0.59	0.99	0.63	2.47	21	10	21	10	6	13	1	1	4	0.19	0	0	6	11	8	1	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
6-bromo-1-3-dinitrobenzene	1	2.31	247.01	15.44	11.72	17.65	11.94	45.75	0.73	1.1	0.75	3.52	16	13	16	13	10	18	1	1	2	0.13	0	0	10	3	6	2	4	0	0	0	0	1	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
6-chloro-1-3-dinitrobenzene	1	1.98	202.56	12.66	11.37	17.75	11.45	47.11	0.71	1.11	0.72	3.62	16	13	16	13	10	18	1	1	2	0.13	0	0	10	3	6	2	4	0	0	0	1	0	0	0	0	1	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
6-tert-butyl-2-4-dimethylphenol	1	1.157	178.3	5.75	17.89	30.32	19.28	27.92	0.58	0.98	0.62	2.15	31	13	31	13	6	16	1	1	7	0.23	0	0	6	18	12	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
a-a-a-trifluoro-4-cresol	1	0.618	162.12	10.13	10.24	17.42	10.3	42.58	0.64	1.09	0.64	3.87	16	11	16	11	6	14	1	1	2	0.13	0	0	6	5	7	0	1	0	0	3	0	0	0	0	0	3	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
ethyl-3-hydroxybenzoate	1	0.478	166.19	7.55	13.52	22.43	14.16	33	0.61	1.02	0.64	2.75	22	12	22	12	8	16.5	1	1	4	0.18	1	0	7	10	9	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
ethyl-4-cyanobenzoate	1	0.37	175.2	7.96	14.41	22.32	14.95	35.5	0.65	1.01	0.68	2.73	22	13	22	13	9	19.5	1	1	4	0.18	1	1	7	9	10	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
methyl-4-cyanobenzoate	1	-0.061	161.17	8.48	12.81	19.43	13.19	34	0.67	1.02	0.69	2.83	19	12	19	12	9	18.5	1	1	3	0.16	1	1	7	7	9	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
methyl-4-hydroxybenzoate	1	0.084	152.16	8.01	11.93	19.54	12.4	31.5	0.63	1.03	0.65	2.86	19	11	19	11	8	15.5	1	1	3	0.16	1	0	7	8	8	0	3	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
nitrobenzene	1	0.14	123.12	8.79	9.21	14.54	9.43	27.67	0.66	1.04	0.67	3.07	14	9	14	9	8	13	1	1	1	0.07	0	0	8	5	6	1	2	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
pentabromophenol	1	2.664	488.57	37.58	13.73	14.14	15.5	29.75	1.06	1.09	1.19	2.48	13	12	13	12	6	15	1	1	1	0.08	0	0	6	1	6	0	1	0	0	0	0	5	0	0	0	5	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
pentafluorophenol	1	1.638	184.07	14.16	8.86	15.56	8.42	56	0.68	1.2	0.65	4.67	13	12	13	12	6	15	1	1	1	0.08	0	0	6	1	6	0	1	0	0	5	0	0	0	0	0	5	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
phenol	1	-0.208	94.12	7.24	8.31	12.99	8.73	17.67	0.64	1	0.67	2.52	13	7	13	7	6	10	1	1	1	0.08	0	0	6	6	6	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
salicylhydrazide	1	0.181	138.19	6.91	11.89	20.1	12.5	25.33	0.59	1	0.62	2.53	20	10	20	10	6	13	1	1	4	0.2	0	0	6	10	7	2	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	1	01101    0    0    0
