-- Name: comp_tax_id_tax_seq; Type: SEQUENCE SET; Schema: public; Owner: psc_db
--

SELECT pg_catalog.setval('public.comp_tax_id_tax_seq', 73344, true);


--
-- Data for Name: compound; Type: TABLE DATA; Schema: public; Owner: psc_db
--

COPY public.compound (id_comp, mol_weight, formula, activity, origen, id_type, smile, n_heavy_atom, n_arom_heavy_atom, csp3, n_rotate_bond, n_hbond_acceptors, n_hbond_donors, molar_refrac, tpsa, ilogp, xlogp3, wlogp, mlogp, silicosit, consensus_log, esol_logs, esol_solub_mg, esol_solub_mol, esol_class, ali_logs, ali_solub_mg, ali_solub_mol, ali_class, silicosit_logs, silicosit_solub_mg, silicosit_solub_mol, silicosit_class, gi_absorp, bbb_permeant, pgp_substrate, cyp1a2, cyp2c19, cyp2c9, cyp2d6, cyp3a4, logkp, lipinski, ghose, veber, egan, muegge, bioavail) FROM stdin;
9	929.67999999999995	C30H42N7O19P3S	\N	\N	1	O=C(NCCSC(=O)/C=C/c1ccc(c(c1)O)O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@@H]1O[C@@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	60	15	0.469999999999999973	24	22	11	206.169999999999987	458.819999999999993	1.41999999999999993	-4.26999999999999957	-0.640000000000000013	-4.58000000000000007	-3.64000000000000012	-2.33999999999999986	-1.51000000000000001	28.3999999999999986	0.0305999999999999987	Very soluble	-4.75999999999999979	0.0162999999999999985	1.76000000000000009e-05	Moderately soluble	-0.479999999999999982	311	0.334000000000000019	Soluble	Low	No	Yes	No	No	No	No	No	-15	3	4	2	1	6	0.110000000000000001
15	156.27000000000001	C10H20O	\N	\N	1	C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C	11	0	1	1	1	1	49.2299999999999969	20.2300000000000004	2.62999999999999989	3.39999999999999991	2.43999999999999995	2.45000000000000018	2.06000000000000005	2.58999999999999986	-2.87999999999999989	0.203999999999999987	0.00129999999999999994	Soluble	-3.5	0.048899999999999999	0.000313000000000000019	Soluble	-1.47999999999999998	5.21999999999999975	0.0333999999999999991	Soluble	High	Yes	No	No	No	No	No	No	-4.83999999999999986	0	1	0	0	2	0.550000000000000044
22	270.370000000000005	C18H22O2	\N	\N	1	Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C	20	6	0.609999999999999987	0	2	1	80.0600000000000023	37.2999999999999972	2.39999999999999991	3.12999999999999989	3.81999999999999984	3.43999999999999995	3.83999999999999986	3.33000000000000007	-3.70999999999999996	0.0526999999999999968	0.000194999999999999996	Soluble	-3.58000000000000007	0.070699999999999999	0.000262000000000000026	Soluble	-4.44000000000000039	0.0097300000000000008	3.60000000000000009e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-5.73000000000000043	0	0	0	0	0	0.550000000000000044
30	156.27000000000001	C10H20O	\N	\N	1	C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C	11	0	1	1	1	1	49.2299999999999969	20.2300000000000004	2.43999999999999995	3.39999999999999991	2.43999999999999995	2.45000000000000018	2.06000000000000005	2.56000000000000005	-2.87999999999999989	0.203999999999999987	0.00129999999999999994	Soluble	-3.5	0.048899999999999999	0.000313000000000000019	Soluble	-1.47999999999999998	5.21999999999999975	0.0333999999999999991	Soluble	High	Yes	No	No	No	No	No	No	-4.83999999999999986	0	1	0	0	2	0.550000000000000044
35	141.210000000000008	C8H15NO	\N	\N	1	O[C@@H]1C[C@H]2CC[C@@H](C1)N2C	10	0	1	0	2	1	44.3100000000000023	23.4699999999999989	1.96999999999999997	0.75	0.220000000000000001	0.900000000000000022	0.599999999999999978	0.890000000000000013	-1.18999999999999995	9.16000000000000014	0.0648999999999999994	Very soluble	-0.819999999999999951	21.3000000000000007	0.150999999999999995	Very soluble	-0.25	79.4000000000000057	0.562000000000000055	Soluble	High	No	No	No	No	No	No	No	-6.62999999999999989	0	1	0	0	1	0.550000000000000044
42	274.269999999999982	C15H14O5	\N	\N	1	Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O	20	12	0.130000000000000004	4	5	4	74.019999999999996	97.9899999999999949	1.40999999999999992	2.62999999999999989	2.31999999999999984	1.10000000000000009	2.16999999999999993	1.92999999999999994	-3.37999999999999989	0.115000000000000005	0.000418999999999999993	Soluble	-4.33999999999999986	0.0126000000000000001	4.58999999999999976e-05	Moderately soluble	-3.37000000000000011	0.116000000000000006	0.000424999999999999976	Soluble	High	No	No	Yes	No	Yes	No	Yes	-6.11000000000000032	0	0	0	0	0	0.550000000000000044
48	152.22999999999999	C10H16O	\N	\N	1	O=C1C[C@H]2C([C@]1(C)CC2)(C)C	11	0	0.900000000000000022	0	1	0	45.6400000000000006	17.0700000000000003	2.12000000000000011	2.18999999999999995	2.39999999999999991	2.29999999999999982	2.85000000000000009	2.37000000000000011	-2.16000000000000014	1.04000000000000004	0.00685999999999999978	Soluble	-2.18000000000000016	1	0.00657000000000000032	Soluble	-2.60000000000000009	0.383000000000000007	0.0025200000000000001	Soluble	High	Yes	No	No	No	No	No	No	-5.66999999999999993	0	1	0	0	2	0.550000000000000044
55	268.259999999999991	C16H12O4	\N	\N	1	COc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O	20	16	0.0599999999999999978	2	4	1	76.4399999999999977	59.6700000000000017	2.49000000000000021	2.79999999999999982	3.16999999999999993	1.33000000000000007	3.52000000000000002	2.66000000000000014	-3.72999999999999998	0.0502999999999999975	0.000186999999999999992	Soluble	-3.70999999999999996	0.0522999999999999993	0.000194999999999999996	Soluble	-5.67999999999999972	0.000558000000000000011	2.07999999999999999e-06	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.95000000000000018	0	0	0	0	0	0.550000000000000044
62	137.139999999999986	C7H7NO2	\N	\N	1	C[n+]1cccc(c1)C(=O)[O-]	10	6	0.140000000000000013	1	2	0	35.0499999999999972	44.009999999999998	-3.10999999999999988	0.510000000000000009	-1.12999999999999989	0.330000000000000016	0.359999999999999987	-0.609999999999999987	-1.3899999999999999	5.58999999999999986	0.0408000000000000029	Very soluble	-1	13.5999999999999996	0.0989000000000000018	Very soluble	-0.939999999999999947	15.9000000000000004	0.116000000000000006	Soluble	High	No	No	No	No	No	No	No	-6.76999999999999957	0	4	0	0	1	0.550000000000000044
69	462.360000000000014	C15H10O13S2	\N	\N	1	Oc1cc(O)c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(c(c1)OS(=O)(=O)O)O	30	16	0	5	13	5	98.4300000000000068	234.860000000000014	0.149999999999999994	0.979999999999999982	3.10000000000000009	-1.37999999999999989	-1.6100000000000001	0.25	-3.39000000000000012	0.189000000000000001	0.000409000000000000021	Soluble	-5.5	0.00145999999999999993	3.15999999999999981e-06	Moderately soluble	-2.45000000000000018	1.64999999999999991	0.0035599999999999998	Soluble	Low	No	Yes	Yes	No	No	No	No	-8.41999999999999993	1	0	1	1	2	0.110000000000000001
77	288.25	C15H12O6	\N	\N	1	Oc1ccc2c(c1)O[C@@H]([C@H](C2=O)O)c1ccc(c(c1)O)O	21	12	0.130000000000000004	1	6	4	72.730000000000004	107.219999999999999	1.3899999999999999	0.869999999999999996	1.15999999999999992	-0.100000000000000006	1.14999999999999991	0.890000000000000013	-2.5299999999999998	0.846999999999999975	0.00293999999999999991	Soluble	-2.70999999999999996	0.567999999999999949	0.00196999999999999996	Soluble	-2.60999999999999988	0.711999999999999966	0.00246999999999999997	Soluble	High	No	No	No	No	No	No	No	-7.44000000000000039	0	0	0	0	0	0.550000000000000044
83	170.120000000000005	C7H6O5	\N	\N	1	OC(=O)c1cc(O)c(c(c1)O)O	12	6	0	1	5	4	39.4699999999999989	97.9899999999999949	0.209999999999999992	0.699999999999999956	0.5	-0.160000000000000003	-0.200000000000000011	0.209999999999999992	-1.6399999999999999	3.89999999999999991	0.0229000000000000002	Very soluble	-2.33999999999999986	0.786000000000000032	0.00461999999999999997	Soluble	-0.0400000000000000008	155	0.910000000000000031	Soluble	High	No	No	No	No	No	No	Yes	-6.83999999999999986	0	2	0	0	1	0.560000000000000053
90	270.240000000000009	C15H10O5	\N	\N	1	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O	20	16	0	1	5	3	73.9899999999999949	90.9000000000000057	1.8899999999999999	3.02000000000000002	2.58000000000000007	0.520000000000000018	2.52000000000000002	2.10999999999999988	-3.93999999999999995	0.0307000000000000016	0.000114000000000000006	Soluble	-4.58999999999999986	0.00687999999999999983	2.54999999999999998e-05	Moderately soluble	-4.40000000000000036	0.0106999999999999994	3.94000000000000022e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-5.79999999999999982	0	0	0	0	0	0.550000000000000044
98	285.339999999999975	C17H19NO3	\N	\N	1	O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O	21	6	0.530000000000000027	0	4	2	82.269999999999996	52.9299999999999997	2.39999999999999991	0.760000000000000009	0.819999999999999951	1.73999999999999999	1.34000000000000008	1.40999999999999992	-2.29999999999999982	1.42999999999999994	0.00502000000000000016	Soluble	-1.44999999999999996	10.0999999999999996	0.0354000000000000009	Very soluble	-2.06999999999999984	2.45000000000000018	0.00856999999999999949	Soluble	High	Yes	Yes	No	No	No	Yes	No	-7.5	0	0	0	0	0	0.550000000000000044
105	172.259999999999991	C10H20O2	\N	\N	1	CCCCCCCCCC(=O)O	12	0	0.900000000000000022	8	2	1	51.9600000000000009	37.2999999999999972	2.5	4.08999999999999986	3.20999999999999996	2.58000000000000007	2.62999999999999989	3	-2.95999999999999996	0.190000000000000002	0.00110000000000000007	Soluble	-4.58000000000000007	0.00453999999999999976	2.64000000000000013e-05	Moderately soluble	-2.87000000000000011	0.23000000000000001	0.00134000000000000005	Soluble	High	Yes	No	No	No	No	No	No	-4.45000000000000018	0	0	0	0	1	0.560000000000000053
111	232.280000000000001	C13H16N2O2	\N	\N	1	COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2	17	9	0.309999999999999998	5	2	2	67.1800000000000068	54.1199999999999974	1.97999999999999998	1.59000000000000008	1.8600000000000001	0.969999999999999973	2.7799999999999998	1.83000000000000007	-2.33999999999999986	1.05000000000000004	0.00453000000000000017	Soluble	-2.33999999999999986	1.07000000000000006	0.00459999999999999992	Soluble	-4.62000000000000011	0.00562	2.41999999999999987e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-6.58999999999999986	0	0	0	0	0	0.550000000000000044
118	432.379999999999995	C21H20O10	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O	31	16	0.28999999999999998	3	10	7	106.609999999999999	181.050000000000011	1.96999999999999997	0.209999999999999992	-0.23000000000000001	-2.02000000000000002	0.330000000000000016	0.0500000000000000028	-2.83999999999999986	0.629000000000000004	0.00145999999999999993	Soluble	-3.56999999999999984	0.116000000000000006	0.000268000000000000009	Soluble	-2.37999999999999989	1.81000000000000005	0.00419999999999999974	Soluble	Low	No	No	No	No	No	No	No	-8.78999999999999915	1	0	1	1	2	0.550000000000000044
126	284.230000000000018	C10H12N4O6	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)[nH]c2=O	20	9	0.5	2	7	5	63.9200000000000017	153.460000000000008	0.0800000000000000017	-2.35999999999999988	-3.29999999999999982	-2.29999999999999982	-1.3600000000000001	-1.85000000000000009	-0.320000000000000007	137	0.482999999999999985	Very soluble	-0.320000000000000007	135	0.472999999999999976	Very soluble	0.239999999999999991	495	1.73999999999999999	Soluble	Low	No	No	No	No	No	No	No	-9.71000000000000085	0	1	1	1	2	0.550000000000000044
2569	182.300000000000011	C12H22O	\N	\N	1	C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C	13	0	1	0	1	1	56.509999999999998	20.2300000000000004	2.66000000000000014	3.29000000000000004	3.12000000000000011	3.02000000000000002	3.00999999999999979	3.02000000000000002	-3.04000000000000004	0.165000000000000008	0.000906000000000000013	Soluble	-3.39000000000000012	0.0743000000000000049	0.000407000000000000027	Soluble	-2.60000000000000009	0.456000000000000016	0.00250000000000000005	Soluble	High	Yes	No	No	No	No	No	No	-5.08000000000000007	0	0	0	0	2	0.550000000000000044
2578	595.529999999999973	C30H27O13	\N	\N	1	O=C(OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(c(c1)O)O	43	22	0.200000000000000011	8	13	8	149.669999999999987	219.740000000000009	-0.440000000000000002	0.719999999999999973	2.24000000000000021	-0.699999999999999956	-0.23000000000000001	0.320000000000000007	-3.83999999999999986	0.0868000000000000022	0.000145999999999999998	Soluble	-4.91000000000000014	0.00728000000000000001	1.22000000000000001e-05	Moderately soluble	-3.06000000000000005	0.521000000000000019	0.000875000000000000018	Soluble	Low	No	No	No	No	No	No	No	-9.41999999999999993	3	2	1	1	3	0.170000000000000012
2908	712.847899999999981	(C17H23NO3. H2O)2. H2SO4	Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2909	1243.47919999999999	C53H72N2O12. (C6H5O3S)2	Neuromuscular blocking agent	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2939	\N	C20H18NO4. Cl. xH2O	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2735	327.370000000000005	C19H21NO4	\N	\N	1	COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3	24	12	0.369999999999999996	2	5	2	96	62.1599999999999966	3.00999999999999979	2.24000000000000021	2.16000000000000014	1.75	2.95000000000000018	2.41999999999999993	-3.52000000000000002	0.0990999999999999936	0.000302999999999999992	Soluble	-3.18000000000000016	0.215999999999999998	0.000658999999999999972	Soluble	-4.58999999999999986	0.00841000000000000081	2.57000000000000013e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.70999999999999996	0	0	0	0	0	0.550000000000000044
2742	360.360000000000014	C18H20N2O6	\N	\N	1	COc1cc(CCN/C=C/C2=CC(=N[C@@H](C2)C(=O)O)C(=O)O)ccc1O	26	6	0.280000000000000027	8	7	4	98.2900000000000063	128.449999999999989	1.83000000000000007	1.47999999999999998	0.969999999999999973	0.0500000000000000028	1.87000000000000011	1.23999999999999999	-2.64999999999999991	0.808000000000000052	0.0022399999999999998	Soluble	-3.7799999999999998	0.0592000000000000026	0.000164000000000000002	Soluble	-2.54000000000000004	1.03000000000000003	0.00286000000000000013	Soluble	High	No	Yes	No	No	No	No	No	-7.45000000000000018	0	0	0	0	0	0.560000000000000053
2753	947.110000000000014	C47H78O19	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2C[C@H]3[C@]4(C)C[C@@H]([C@@H]([C@@]4(C)CC[C@]43[C@@]3([C@@H]2C(C)(C)[C@H](CC3)O[C@@H]2OC[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)C4)[C@@]2(C)CC[C@H](O2)C(O)(C)C)O)[C@@H]([C@H]([C@@H]1O)O)O	66	0	1	10	19	12	229.330000000000013	307.370000000000005	3.18999999999999995	-0.330000000000000016	-1.44999999999999996	-2.83999999999999986	-1.56000000000000005	-0.599999999999999978	-4.83999999999999986	0.0135999999999999992	1.43000000000000003e-05	Moderately soluble	-5.66000000000000014	0.0020600000000000002	2.16999999999999998e-06	Moderately soluble	0.760000000000000009	5500	5.80999999999999961	Soluble	Low	No	Yes	No	No	No	No	No	-12.3100000000000005	3	4	1	1	5	0.170000000000000012
2761	220.349999999999994	C15H24O	\N	\N	1	O[C@H]1C[C@@H]([C@@]23C1=C(C)C(C)(C)[C@H](C3)CC2)C	16	0	0.869999999999999996	0	1	1	68.0400000000000063	20.2300000000000004	3	3.25	3.5299999999999998	3.66999999999999993	3.37999999999999989	3.37000000000000011	-3.25	0.122999999999999998	0.000558000000000000011	Soluble	-3.35000000000000009	0.0987999999999999989	0.000447999999999999993	Soluble	-3.16999999999999993	0.150999999999999995	0.000684000000000000038	Soluble	High	Yes	No	No	No	Yes	No	No	-5.33999999999999986	0	0	0	0	1	0.550000000000000044
2767	222.370000000000005	C15H26O	\N	\N	1	C[C@@H]1CC[C@@H]2[C@@]31CC[C@]([C@H](C3)C2(C)C)(C)O	16	0	1	0	1	1	68.5600000000000023	20.2300000000000004	2.93999999999999995	3.87999999999999989	3.60999999999999988	3.81000000000000005	3.39999999999999991	3.5299999999999998	-3.66000000000000014	0.0483000000000000027	0.000216999999999999989	Soluble	-4	0.0221000000000000016	9.95000000000000062e-05	Moderately soluble	-3.18000000000000016	0.145999999999999991	0.000654999999999999983	Soluble	High	Yes	No	No	No	Yes	No	No	-4.90000000000000036	0	0	0	0	1	0.550000000000000044
2774	234.330000000000013	C15H22O2	\N	\N	1	CC1=CC[C@@H](CCC(=CCC1)C)C(=C)C(=O)O	17	0	0.530000000000000027	2	2	1	72.4500000000000028	37.2999999999999972	2.5	3.35000000000000009	4.09999999999999964	3.25999999999999979	3.04999999999999982	3.25	-3.27000000000000002	0.125	0.000534999999999999994	Soluble	-3.81000000000000005	0.036200000000000003	0.000155	Soluble	-2.54000000000000004	0.682000000000000051	0.00290999999999999983	Soluble	High	Yes	No	No	No	Yes	No	No	-5.34999999999999964	0	0	0	0	0	0.560000000000000053
2781	204.349999999999994	C15H24	\N	\N	1	CC(=CCC[C@@]1(C)[C@H]2CCC(=C)[C@@H]1C2)C	15	0	0.729999999999999982	3	0	0	68.7800000000000011	0	3.37999999999999989	6.12999999999999989	4.73000000000000043	4.62999999999999989	4.54999999999999982	4.67999999999999972	-4.76999999999999957	0.00345999999999999997	1.69000000000000008e-05	Moderately soluble	-5.91000000000000014	0.000250000000000000005	1.21999999999999997e-06	Moderately soluble	-3.79999999999999982	0.0323999999999999982	0.000157999999999999992	Soluble	Low	No	No	No	Yes	Yes	No	No	-3.18999999999999995	1	0	0	0	2	0.550000000000000044
2788	222.370000000000005	C15H26O	\N	\N	1	C=C[C@@](CC/C=C(/CCC=C(C)C)\\C)(O)C	16	0	0.599999999999999978	7	1	1	74	20.2300000000000004	3.64000000000000012	4.83000000000000007	4.40000000000000036	3.85999999999999988	4.20999999999999996	4.19000000000000039	-3.79999999999999982	0.035299999999999998	0.000158999999999999989	Soluble	-4.99000000000000021	0.00228999999999999993	1.02999999999999996e-05	Moderately soluble	-3.14999999999999991	0.156	0.000699999999999999993	Soluble	High	Yes	No	Yes	No	Yes	No	No	-4.23000000000000043	0	0	0	0	1	0.550000000000000044
2795	204.349999999999994	C15H24	\N	\N	1	C=C1CC[C@H]2C(=C1)[C@@H](CC[C@@H]2C)C(C)C	15	0	0.729999999999999982	1	0	0	69.0400000000000063	0	3.33000000000000007	4.70000000000000018	4.58000000000000007	4.62999999999999989	4.00999999999999979	4.25	-4	0.0202999999999999986	9.95000000000000062e-05	Moderately soluble	-4.42999999999999972	0.00762000000000000004	3.72999999999999986e-05	Moderately soluble	-3.31999999999999984	0.0982999999999999985	0.000480999999999999982	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.20999999999999996	1	0	0	0	1	0.550000000000000044
2803	410.720000000000027	C30H50	\N	\N	1	CC(=CCCC(=C)[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)C)C	30	0	0.869999999999999996	4	0	0	135.879999999999995	0	5.42999999999999972	11.4900000000000002	9.35999999999999943	7.88999999999999968	8.30000000000000071	8.5	-9.35999999999999943	1.79000000000000001e-07	4.34999999999999997e-10	Poorly soluble	-11.4700000000000006	1.37999999999999999e-09	3.35000000000000006e-12	Insoluble	-7.59999999999999964	1.04000000000000004e-05	2.53999999999999991e-08	Poorly soluble	Low	No	No	No	No	No	No	No	-0.650000000000000022	1	3	0	1	2	0.550000000000000044
2810	218.330000000000013	C15H22O	\N	\N	1	O=CC1=C[C@H]2[C@@]3([C@H]1CC[C@H]3C)CC(C2)(C)C	16	0	0.800000000000000044	1	1	0	67.0799999999999983	17.0700000000000003	2.72999999999999998	3.95999999999999996	3.58999999999999986	3.56000000000000005	3.58000000000000007	3.47999999999999998	-3.62000000000000011	0.0521000000000000005	0.000239000000000000009	Soluble	-4.01999999999999957	0.0208999999999999984	9.56999999999999951e-05	Moderately soluble	-3.08000000000000007	0.180999999999999994	0.00082799999999999996	Soluble	High	Yes	No	No	Yes	Yes	No	No	-4.82000000000000028	0	0	0	0	1	0.550000000000000044
2818	576.720000000000027	C32H48O9	\N	\N	1	CO[C@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)OC(=O)C)C)C)O[C@H]([C@@H]1O)C	41	0	0.880000000000000004	6	9	2	150.449999999999989	120.75	4.21999999999999975	1.15999999999999992	3.68000000000000016	2.45999999999999996	2.9700000000000002	2.89999999999999991	-3.75	0.101999999999999993	0.00017799999999999999	Soluble	-3.29000000000000004	0.294999999999999984	0.000511999999999999977	Soluble	-3.56000000000000005	0.159000000000000002	0.000275999999999999987	Soluble	High	No	Yes	No	No	No	No	No	-8.99000000000000021	1	3	0	0	0	0.550000000000000044
2825	262.389999999999986	C17H26O2	\N	\N	1	CCCCCCC/C=C\\[C@@H](C#CC#CCCCO)O	19	0	0.650000000000000022	9	2	2	82.0100000000000051	40.4600000000000009	4.00999999999999979	4.34999999999999964	3.20000000000000018	3.41999999999999993	4.53000000000000025	3.89999999999999991	-3.60999999999999988	0.0638999999999999985	0.000243999999999999995	Soluble	-4.91000000000000014	0.00319000000000000013	1.22000000000000001e-05	Moderately soluble	-3.06999999999999984	0.225000000000000006	0.000857000000000000014	Soluble	High	Yes	No	Yes	No	No	Yes	No	-4.80999999999999961	0	0	0	0	0	0.550000000000000044
2833	390.470000000000027	C22H30O6	\N	\N	1	OCC1=C[C@H]2[C@H]3[C@@](C3(C)C)(OC(=O)C)C[C@H]([C@@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)O)C	28	0	0.729999999999999982	3	6	3	103.290000000000006	104.060000000000002	3.0299999999999998	0.699999999999999956	1.53000000000000003	1.52000000000000002	2.25	1.81000000000000005	-2.5	1.21999999999999997	0.00312999999999999997	Soluble	-2.45999999999999996	1.35000000000000009	0.00343999999999999992	Soluble	-2.70000000000000018	0.786000000000000032	0.00201000000000000007	Soluble	High	No	Yes	No	No	No	No	No	-8.17999999999999972	0	0	0	0	0	0.550000000000000044
2839	200.099999999999994	C7H4O7	\N	\N	1	OC(=O)c1cc(=O)c(c(o1)C(=O)O)O	14	6	0	2	7	3	40.9200000000000017	125.040000000000006	0.0200000000000000004	0	-0.260000000000000009	-1.79000000000000004	-0.270000000000000018	-0.46000000000000002	-1.27000000000000002	10.9000000000000004	0.0541999999999999982	Very soluble	-2.18000000000000016	1.33000000000000007	0.00664999999999999966	Soluble	-0.110000000000000001	154	0.771000000000000019	Soluble	High	No	No	No	No	No	No	No	-7.51999999999999957	0	1	0	0	0	0.560000000000000053
2846	293.399999999999977	C17H27NO3	\N	\N	1	COc1cc(CNC(=O)CCCCCC(C)C)ccc1O	21	6	0.589999999999999969	10	3	2	86.1899999999999977	58.5600000000000023	2.81999999999999984	3.22999999999999998	3.4700000000000002	2.54000000000000004	3.87000000000000011	3.18000000000000016	-3.25	0.16700000000000001	0.000568000000000000037	Soluble	-4.12999999999999989	0.0216000000000000011	7.37000000000000025e-05	Moderately soluble	-5.19000000000000039	0.00187999999999999994	6.39999999999999971e-06	Moderately soluble	High	Yes	No	Yes	No	No	Yes	No	-5.79999999999999982	0	0	0	0	0	0.550000000000000044
2853	358.389999999999986	C20H22O6	\N	\N	1	COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc(c(c1)OC)O	26	12	0.400000000000000022	4	6	2	94.9000000000000057	77.3799999999999955	3.18000000000000016	2.2799999999999998	2.54000000000000004	1.16999999999999993	2.66000000000000014	2.37000000000000011	-3.58000000000000007	0.0952000000000000068	0.000266000000000000015	Soluble	-3.54000000000000004	0.102999999999999994	0.000286999999999999983	Soluble	-4.19000000000000039	0.0229000000000000002	6.39999999999999971e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.87000000000000011	0	0	0	0	0	0.550000000000000044
137	311.29000000000002	C14H17NO7	\N	\N	1	OC[C@H]1O[C@@H](O[C@H](c2ccc(cc2)O)C#N)[C@@H]([C@H]([C@@H]1O)O)O	22	6	0.5	4	8	5	71.5300000000000011	143.400000000000006	1.57000000000000006	-0.92000000000000004	-1.55000000000000004	-2.10000000000000009	-1.12000000000000011	-0.819999999999999951	-1.12999999999999989	23.1999999999999993	0.0743999999999999939	Very soluble	-1.6100000000000001	7.67999999999999972	0.0246999999999999997	Very soluble	0.239999999999999991	537	1.72999999999999998	Soluble	Low	No	No	No	No	No	No	No	-8.84999999999999964	0	1	1	1	0	0.550000000000000044
2588	627.519999999999982	C27H31O17	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	44	16	0.440000000000000002	7	17	12	142.439999999999998	292.819999999999993	-3.95999999999999996	-2.02000000000000002	-2.43999999999999995	-4.28000000000000025	-4.49000000000000021	-3.43999999999999995	-2.27000000000000002	3.41000000000000014	0.00542999999999999993	Soluble	-3.60000000000000009	0.156	0.000248999999999999981	Soluble	1.45999999999999996	18100	28.8000000000000007	Soluble	Low	No	No	No	No	No	No	No	-11.5600000000000005	3	4	1	1	5	0.170000000000000012
2910	1243.47919999999999	C53H72N2O12. (C6H5O3S)2	Neuromuscular blocking agent	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2911	1106.12830000000008	C56H78N2O16. 2Cl	Neuromuscular blocking agent	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2595	299.259999999999991	C11H15N4O6	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)[n+]1cn(c2c1[nH]c(=O)[nH]c2=O)C	21	9	0.550000000000000044	2	6	5	69.7199999999999989	144.449999999999989	-3.41999999999999993	-2.2799999999999998	-3.87000000000000011	-2.00999999999999979	-1.70999999999999996	-2.66000000000000014	-0.440000000000000002	108	0.359999999999999987	Very soluble	-0.220000000000000001	181	0.603999999999999981	Very soluble	0.680000000000000049	1440	4.80999999999999961	Soluble	Low	No	No	No	No	No	No	No	-9.74000000000000021	0	1	1	1	1	0.550000000000000044
2602	182.139999999999986	C6H6N4O3	\N	\N	1	O=c1[nH]c2c([nH]1)c(=O)n(c(=O)[nH]2)C	13	9	0.170000000000000012	0	3	3	45.0600000000000023	103.510000000000005	0.479999999999999982	-0.569999999999999951	-1.76000000000000001	-0.530000000000000027	0.92000000000000004	-0.28999999999999998	-1.12000000000000011	13.6999999999999993	0.0753999999999999948	Very soluble	-1.12999999999999989	13.4000000000000004	0.0734999999999999959	Very soluble	-1.44999999999999996	6.45999999999999996	0.0354999999999999968	Soluble	High	No	No	No	No	No	No	No	-7.82000000000000028	0	2	0	0	1	0.550000000000000044
2611	711.559999999999945	C30H31O20	\N	\N	1	OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	50	16	0.400000000000000022	11	20	11	157.599999999999994	333.029999999999973	-6.76999999999999957	-2.66000000000000014	-1.67999999999999994	-3.89999999999999991	-4.57000000000000028	-3.91999999999999993	-2.08999999999999986	5.83000000000000007	0.00818999999999999936	Soluble	-3.7799999999999998	0.117000000000000007	0.000164000000000000002	Soluble	1.41999999999999993	18700	26.3000000000000007	Soluble	Low	No	Yes	No	No	No	No	No	-12.5299999999999994	3	4	2	1	5	0.110000000000000001
2618	274.269999999999982	C15H14O5	\N	\N	1	Oc1ccc(cc1)[C@H]1Oc2cc(O)ccc2[C@@H]([C@@H]1O)O	20	12	0.200000000000000011	1	5	4	71.4500000000000028	90.1500000000000057	1.70999999999999996	1.02000000000000002	0.979999999999999982	0.520000000000000018	1.05000000000000004	1.06000000000000005	-2.56000000000000005	0.754000000000000004	0.00274999999999999984	Soluble	-2.5	0.861999999999999988	0.00314	Soluble	-2.49000000000000021	0.881000000000000005	0.00321000000000000018	Soluble	High	No	Yes	No	No	No	No	No	-7.25	0	0	0	0	0	0.550000000000000044
2625	434.389999999999986	C21H22O10	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1O[C@@H](CC2=O)c1ccc(cc1)O)O	31	12	0.380000000000000004	3	10	7	104.189999999999998	177.139999999999986	1.19999999999999996	-0.0700000000000000067	-0.619999999999999996	-1.83000000000000007	-0.130000000000000004	-0.28999999999999998	-2.58000000000000007	1.14999999999999991	0.00263999999999999999	Soluble	-3.20000000000000018	0.275000000000000022	0.000632999999999999991	Soluble	-1.3899999999999999	17.6999999999999993	0.0407000000000000001	Soluble	Low	No	No	No	No	No	No	No	-9	1	1	1	1	2	0.550000000000000044
2633	371.430000000000007	C21H25NO5	\N	\N	1	COC1=C[C@]23CCN([C@H](C2=CC1=O)CCc1c3c(OC)c(c(c1)O)OC)C	27	6	0.479999999999999982	3	6	1	104.950000000000003	68.230000000000004	3.04000000000000004	2.27000000000000002	1.95999999999999996	1.12000000000000011	2.64999999999999991	2.20999999999999996	-3.54000000000000004	0.106999999999999998	0.000288999999999999977	Soluble	-3.33999999999999986	0.170000000000000012	0.000456999999999999995	Soluble	-4.07000000000000028	0.0315000000000000002	8.49000000000000037e-05	Moderately soluble	High	Yes	Yes	No	No	Yes	No	Yes	-6.95000000000000018	0	0	0	0	0	0.550000000000000044
2639	341.399999999999977	C17H27NO6	\N	\N	1	CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O	24	0	0.760000000000000009	8	7	2	90.8700000000000045	96.2999999999999972	2.50999999999999979	0.939999999999999947	-0.140000000000000013	0.479999999999999982	0.839999999999999969	0.930000000000000049	-2.02000000000000002	3.25	0.00953000000000000028	Soluble	-2.54999999999999982	0.964999999999999969	0.00283000000000000005	Soluble	-0.739999999999999991	62.1000000000000014	0.181999999999999995	Soluble	High	No	Yes	No	No	No	No	No	-7.71999999999999975	0	0	0	0	0	0.550000000000000044
2646	278.389999999999986	C17H26O3	\N	\N	1	CCCCCCC[C@H]([C@@H](CC#CC#C[C@@H](C=C)O)O)O	20	0	0.650000000000000022	9	3	3	83.1700000000000017	60.6899999999999977	3.83000000000000007	3.49000000000000021	2.16999999999999993	2.54000000000000004	3.79999999999999982	3.16999999999999993	-3.16999999999999993	0.188	0.000675000000000000036	Soluble	-4.45000000000000018	0.00993999999999999918	3.57000000000000004e-05	Moderately soluble	-2.12999999999999989	2.06000000000000005	0.00740000000000000033	Soluble	High	Yes	Yes	No	No	No	No	No	-5.51999999999999957	0	0	0	0	0	0.550000000000000044
2654	564.490000000000009	C26H28O14	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(cc3c2C(=O)c2c(C3=O)cc(cc2O)C)O[C@]2(O)COC[C@]2(O)CO)[C@@H]([C@H]([C@@H]1O)O)O	40	12	0.46000000000000002	6	14	8	129.139999999999986	232.900000000000006	1.66999999999999993	-0.770000000000000018	-2.52000000000000002	-3.31000000000000005	-0.209999999999999992	-1.03000000000000003	-2.68000000000000016	1.17999999999999994	0.00208999999999999984	Soluble	-3.64000000000000012	0.128000000000000003	0.000226999999999999988	Soluble	-1.87000000000000011	7.62999999999999989	0.0134999999999999998	Soluble	Low	No	Yes	No	No	No	No	No	-10.2899999999999991	3	2	1	1	3	0.170000000000000012
2660	154.25	C10H18O	\N	\N	1	CC(C12CC[C@@](O2)(CC1)C)C	11	0	1	1	1	0	47.1199999999999974	9.23000000000000043	2.68000000000000016	2.9700000000000002	2.74000000000000021	2.45000000000000018	3.0299999999999998	2.77000000000000002	-2.60000000000000009	0.38600000000000001	0.00250000000000000005	Soluble	-2.83000000000000007	0.23000000000000001	0.00149	Soluble	-2.45000000000000018	0.54500000000000004	0.00353000000000000015	Soluble	High	Yes	No	No	No	No	No	No	-5.12999999999999989	0	1	0	0	2	0.550000000000000044
2668	378.45999999999998	C21H30O6	\N	\N	1	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)[C@H]1[C@H](O)[C@@H](O)[C@@H]([C@H]3[C@@]1([C@@H](C2)OC(=O)C3)C)C	27	0	0.810000000000000053	1	6	2	98.5	93.0600000000000023	2.37000000000000011	1.98999999999999999	1.68999999999999995	1.3899999999999999	1.56000000000000005	1.80000000000000004	-3.37000000000000011	0.160000000000000003	0.000422999999999999982	Soluble	-3.56999999999999984	0.101999999999999993	0.000268999999999999979	Soluble	-2.18999999999999995	2.4700000000000002	0.00653000000000000021	Soluble	High	No	Yes	No	No	No	No	No	-7.20000000000000018	0	0	0	0	0	0.550000000000000044
2676	394.45999999999998	C21H30O7	\N	\N	1	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)[C@H]1[C@H](O)[C@@H](O)[C@@H]([C@]3([C@@]1([C@@H](C2)OC(=O)C3)C)O)C	28	0	0.810000000000000053	1	7	3	99.7000000000000028	113.290000000000006	1.66999999999999993	0.939999999999999947	0.800000000000000044	0.589999999999999969	1.07000000000000006	1.01000000000000001	-2.81000000000000005	0.607999999999999985	0.00153999999999999992	Soluble	-2.91000000000000014	0.489999999999999991	0.00124	Soluble	-1.82000000000000006	6.03000000000000025	0.0152999999999999994	Soluble	High	No	Yes	No	No	No	No	No	-8.03999999999999915	0	0	0	0	0	0.550000000000000044
2684	390.470000000000027	C22H30O6	\N	\N	1	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)[C@H]1[C@@H]3OCO[C@H]3[C@H]([C@H]3[C@@]1([C@@H](C2)OC(=O)C3)C)C	28	0	0.819999999999999951	1	6	0	101.040000000000006	71.0600000000000023	2.81000000000000005	2.93999999999999995	2.70999999999999996	2.00999999999999979	2.39000000000000012	2.56999999999999984	-4.04999999999999982	0.0350000000000000033	8.96999999999999984e-05	Moderately soluble	-4.08999999999999986	0.0313999999999999974	8.05000000000000051e-05	Moderately soluble	-3.08000000000000007	0.326000000000000012	0.000836000000000000046	Soluble	High	Yes	Yes	No	No	No	No	No	-6.58999999999999986	0	0	0	0	0	0.550000000000000044
2693	204.349999999999994	C15H24	\N	\N	1	CC(=CCC[C@@]1(C)[C@H]2CC=C([C@@H]1C2)C)C	15	0	0.729999999999999982	3	0	0	68.7800000000000011	0	3.29999999999999982	6.45000000000000018	4.73000000000000043	4.62999999999999989	4.26999999999999957	4.66999999999999993	-4.96999999999999975	0.00218000000000000008	1.06999999999999992e-05	Moderately soluble	-6.24000000000000021	0.000116000000000000001	5.70000000000000048e-07	Poorly soluble	-3.54999999999999982	0.0572999999999999968	0.000281	Soluble	Low	No	No	No	Yes	Yes	No	No	-2.9700000000000002	1	0	0	0	2	0.550000000000000044
2699	463.589999999999975	C15H29NO9S3	\N	\N	1	CSCCCCCCC/C(=N\\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	28	0	0.930000000000000049	13	10	5	108.329999999999998	225.090000000000003	1.70999999999999996	0.930000000000000049	1.43999999999999995	-1.12999999999999989	-0.330000000000000016	0.520000000000000018	-2.43999999999999995	1.66999999999999993	0.00360999999999999993	Soluble	-5.24000000000000021	0.00265000000000000001	5.71000000000000039e-06	Moderately soluble	-0.450000000000000011	165	0.355999999999999983	Soluble	Low	No	Yes	No	No	No	No	No	-8.47000000000000064	0	0	2	1	1	0.110000000000000001
2706	377.389999999999986	C10H19NO10S2	\N	\N	1	OC[C@H](/C(=N\\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C	23	0	0.900000000000000022	7	11	6	77.8599999999999994	220.02000000000001	-0.380000000000000004	-1.98999999999999999	-1.6399999999999999	-3.25999999999999979	-3.10999999999999988	-2.08000000000000007	-0.46000000000000002	130	0.343000000000000027	Very soluble	-2.10999999999999988	2.95000000000000018	0.00782000000000000056	Soluble	2.54000000000000004	130000	344	Soluble	Low	No	Yes	No	No	No	No	No	-10.0099999999999998	2	1	1	1	3	0.110000000000000001
149	332.389999999999986	C19H24O5	\N	\N	1	OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)CCC[C@@]2(C)C(=O)O3	24	0	0.790000000000000036	1	5	2	86.1800000000000068	83.8299999999999983	2.0299999999999998	1.19999999999999996	2.2799999999999998	2.56000000000000005	2.60999999999999988	2.14000000000000012	-2.58999999999999986	0.85299999999999998	0.0025699999999999998	Soluble	-2.56000000000000005	0.922000000000000042	0.00276999999999999989	Soluble	-2.75	0.596999999999999975	0.00178999999999999992	Soluble	High	No	Yes	No	No	No	No	No	-7.48000000000000043	0	0	0	0	0	0.560000000000000053
156	369.410000000000025	C21H23NO5	\N	\N	1	COc1c(OC)ccc2c1CN(C)CCc1c(C(=O)C2)cc2c(c1)OCO2	27	12	0.380000000000000004	2	6	0	104.409999999999997	57.2299999999999969	3.37999999999999989	2.91999999999999993	2.31000000000000005	1.70999999999999996	3.70999999999999996	2.81000000000000005	-4.16999999999999993	0.0252000000000000002	6.81000000000000019e-05	Moderately soluble	-3.7799999999999998	0.0609000000000000027	0.000164999999999999999	Soluble	-5.87000000000000011	0.000497999999999999962	1.34999999999999999e-06	Moderately soluble	High	Yes	Yes	Yes	No	Yes	Yes	Yes	-6.48000000000000043	0	0	0	0	0	0.550000000000000044
165	150.219999999999999	C10H14O	\N	\N	1	CC1=CC(=O)[C@@H](CC1)C(=C)C	11	0	0.5	1	1	0	47.3200000000000003	17.0700000000000003	2.25	2.2799999999999998	2.49000000000000021	2.10000000000000009	2.64000000000000012	2.35000000000000009	-2.14000000000000012	1.08000000000000007	0.00721999999999999986	Soluble	-2.2799999999999998	0.796000000000000041	0.00530000000000000002	Soluble	-2.16000000000000014	1.04000000000000004	0.00694999999999999958	Soluble	High	Yes	No	No	No	No	No	No	-5.59999999999999964	0	1	0	0	2	0.550000000000000044
2912	906.627899999999954	C40H48N2O6. 2I	Neuromuscular blocking agent	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2913	1100.16679999999997	C58H80N2O14. 2Cl	Neuromuscular blocking agent	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2914	403.535000000000025	C21H25NO. CH4SO3	Antiparkinsonian, Anticolinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
170	152.22999999999999	C10H16O	\N	\N	1	OCC1=CC[C@H](CC1)C(=C)C	11	0	0.599999999999999978	2	1	1	48.2800000000000011	20.2300000000000004	2.25	3.16999999999999993	2.2799999999999998	2.20000000000000018	2.33999999999999986	2.45000000000000018	-2.64999999999999991	0.342000000000000026	0.0022399999999999998	Soluble	-3.27000000000000002	0.0826000000000000068	0.000542999999999999971	Soluble	-1.70999999999999996	2.93999999999999995	0.0193000000000000012	Soluble	High	Yes	No	No	No	No	No	No	-4.98000000000000043	0	1	0	0	2	0.550000000000000044
176	150.219999999999999	C10H14O	\N	\N	1	O=CC1=CC[C@H](CC1)C(=C)C	11	0	0.5	2	1	0	47.3200000000000003	17.0700000000000003	2.08999999999999986	3.12999999999999989	2.49000000000000021	2.10000000000000009	2.64000000000000012	2.49000000000000021	-2.60999999999999988	0.367999999999999994	0.00244999999999999992	Soluble	-3.16000000000000014	0.103999999999999995	0.000696000000000000004	Soluble	-1.83000000000000007	2.2200000000000002	0.0148000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-4.99000000000000021	0	1	0	0	2	0.550000000000000044
183	200.319999999999993	C12H24O2	\N	\N	1	CCCCCCCCCCCC(=O)O	14	0	0.92000000000000004	10	2	1	61.5700000000000003	37.2999999999999972	2.70000000000000018	4.20000000000000018	3.99000000000000021	3.14999999999999991	3.5	3.50999999999999979	-3.06999999999999984	0.171000000000000013	0.000854999999999999966	Soluble	-4.69000000000000039	0.00406000000000000024	2.02999999999999988e-05	Moderately soluble	-3.68999999999999995	0.0405000000000000013	0.000202000000000000004	Soluble	High	Yes	No	No	No	No	No	No	-4.54000000000000004	0	0	0	0	0	0.560000000000000053
190	172.259999999999991	C10H20O2	\N	\N	1	C[C@@H]1CC[C@H]([C@@H](C1)O)C(O)(C)C	12	0	1	1	2	2	50.4299999999999997	40.4600000000000009	2.10000000000000009	2.16999999999999993	1.55000000000000004	1.52000000000000002	1.28000000000000003	1.72999999999999998	-2.20999999999999996	1.06000000000000005	0.00617999999999999973	Soluble	-2.64999999999999991	0.383000000000000007	0.00223000000000000021	Soluble	-0.910000000000000031	21.1000000000000014	0.122999999999999998	Soluble	High	Yes	No	No	No	No	No	No	-5.80999999999999961	0	0	0	0	1	0.550000000000000044
196	178.139999999999986	C9H6O4	\N	\N	1	O=c1ccc2c(o1)c(O)c(cc2)O	13	10	0	0	4	2	46.5300000000000011	70.6700000000000017	1.10000000000000009	1.19999999999999996	1.19999999999999996	0.450000000000000011	1.45999999999999996	1.08000000000000007	-2.27000000000000002	0.956999999999999962	0.00536999999999999977	Soluble	-2.2799999999999998	0.934000000000000052	0.00523999999999999987	Soluble	-2.45999999999999996	0.618999999999999995	0.00348000000000000002	Soluble	High	No	No	Yes	No	No	No	No	-6.53000000000000025	0	1	0	0	1	0.550000000000000044
204	470.509999999999991	C26H30O8	\N	\N	1	O=C1OC[C@]23[C@H](C1)OC([C@@H]2CC(=O)[C@@]1([C@@H]3CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)(C)C	34	5	0.729999999999999982	1	8	0	116.170000000000002	104.569999999999993	2.81999999999999984	1.77000000000000002	2.81000000000000005	1.44999999999999996	3.83000000000000007	2.54000000000000004	-3.91999999999999993	0.0572000000000000008	0.000121999999999999997	Soluble	-3.58000000000000007	0.122999999999999998	0.000261000000000000002	Soluble	-5.41000000000000014	0.00182	3.86000000000000031e-06	Moderately soluble	High	No	No	No	No	No	No	No	-7.91000000000000014	0	0	0	0	0	0.550000000000000044
211	153.180000000000007	C8H11NO2	\N	\N	1	NCCc1ccc(c(c1)O)O	11	6	0.25	2	3	3	42.9699999999999989	66.480000000000004	1.27000000000000002	-0.979999999999999982	0.599999999999999978	0.599999999999999978	0.800000000000000044	0.46000000000000002	-0.440000000000000002	55.1000000000000014	0.359999999999999987	Very soluble	0.0700000000000000067	180	1.16999999999999993	Highly soluble	-1.67999999999999994	3.18999999999999995	0.020799999999999999	Soluble	High	No	No	No	No	No	No	No	-7.92999999999999972	0	1	0	0	1	0.550000000000000044
219	154.25	C10H18O	\N	\N	1	C=C[C@@](CCC=C(C)C)(O)C	11	0	0.599999999999999978	4	1	1	50.4399999999999977	20.2300000000000004	2.70999999999999996	2.9700000000000002	2.66999999999999993	2.58999999999999986	2.35000000000000009	2.66000000000000014	-2.39999999999999991	0.608999999999999986	0.00395000000000000039	Soluble	-3.06000000000000005	0.135000000000000009	0.000875000000000000018	Soluble	-1.84000000000000008	2.20000000000000018	0.0143000000000000002	Soluble	High	Yes	No	No	No	No	No	No	-5.12999999999999989	0	1	0	0	2	0.550000000000000044
225	346.45999999999998	C20H30N2O3	\N	\N	1	C/C=C(/C(=O)O[C@H]1CCN2[C@@H](C1)[C@@H]1C[C@H](C2)[C@@H]2N(C1)C(=O)CCC2)\\C	25	0	0.800000000000000044	3	4	0	104.430000000000007	49.8500000000000014	3.49000000000000021	2.37999999999999989	1.60000000000000009	2.37999999999999989	1.62999999999999989	2.29999999999999982	-3.29000000000000004	0.177999999999999992	0.000513000000000000001	Soluble	-3.06999999999999984	0.295999999999999985	0.00085599999999999999	Soluble	-1.95999999999999996	3.77000000000000002	0.0109	Soluble	High	Yes	No	No	No	No	No	No	-6.71999999999999975	0	0	0	0	0	0.550000000000000044
231	223.189999999999998	C6H10NO4PS	\N	\N	1	Cc1ncsc1CCOP(=O)(O)O	13	5	0.5	4	5	2	48.9299999999999997	117.700000000000003	0.739999999999999991	-0.25	1.10000000000000009	-1.12000000000000011	1.53000000000000003	0.400000000000000022	-1.09000000000000008	18.3000000000000007	0.0819000000000000006	Very soluble	-1.76000000000000001	3.85000000000000009	0.0172	Very soluble	-1.1100000000000001	17.3999999999999986	0.0782000000000000056	Soluble	High	No	No	No	No	No	No	No	-7.83999999999999986	0	0	0	0	0	0.560000000000000053
239	384.470000000000027	C22H28N2O4	\N	\N	1	COc1ccc2c(c1)N[C@@H]1[C@@]32CCN2[C@H]3[C@@](C[C@]1(O)C(=O)OC)(CC)C=CC2	28	6	0.589999999999999969	4	5	2	112.620000000000005	71.0300000000000011	3.25	2.62999999999999989	1.12000000000000011	1.96999999999999997	2.08999999999999986	2.20999999999999996	-3.7799999999999998	0.0645000000000000018	0.000167999999999999991	Soluble	-3.77000000000000002	0.0650000000000000022	0.000168999999999999988	Soluble	-4.21999999999999975	0.0231999999999999984	6.03999999999999977e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-6.78000000000000025	0	0	0	0	0	0.550000000000000044
246	616.830000000000041	C36H56O8	\N	\N	1	CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]([C@H]3[C@]1(OC(=O)C)C3(C)C)C=C(C[C@]1([C@H]2C=C(C1=O)C)O)CO	44	0	0.810000000000000053	17	8	3	171.870000000000005	130.360000000000014	5.61000000000000032	6.54999999999999982	5.75	3.39000000000000012	6.91999999999999993	5.63999999999999968	-6.66999999999999993	0.00013200000000000001	2.1400000000000001e-07	Poorly soluble	-9.08999999999999986	5.06000000000000005e-07	8.20999999999999957e-10	Poorly soluble	-7.13999999999999968	4.42999999999999994e-05	7.17999999999999944e-08	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-5.41000000000000014	1	4	1	0	3	0.550000000000000044
253	327.370000000000005	C19H21NO4	\N	\N	1	COC1=C[C@@]23CCN([C@@H](C2=CC1=O)Cc1c3c(O)c(cc1)OC)C	24	6	0.419999999999999984	2	5	1	93.6500000000000057	59	2.7799999999999998	1.94999999999999996	1.56000000000000005	1.21999999999999997	2.35000000000000009	1.96999999999999997	-3.14999999999999991	0.231000000000000011	0.00070600000000000003	Soluble	-2.81000000000000005	0.503000000000000003	0.00153999999999999992	Soluble	-3.68999999999999995	0.066199999999999995	0.000202000000000000004	Soluble	High	Yes	Yes	No	No	No	No	No	-6.91000000000000014	0	0	0	0	0	0.550000000000000044
260	235.319999999999993	C17H17N	\N	\N	1	c1ccc2c(c1)C[C@@H]1N(C2)CCc2c1cccc2	18	12	0.28999999999999998	0	1	0	78.019999999999996	3.24000000000000021	2.72999999999999998	3.35000000000000009	2.49000000000000021	3.70000000000000018	3.66000000000000014	3.18000000000000016	-3.89999999999999991	0.0293999999999999991	0.000125000000000000003	Soluble	-3.10000000000000009	0.189000000000000001	0.000803000000000000003	Soluble	-5.41000000000000014	0.000920000000000000028	3.90999999999999983e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-5.36000000000000032	0	0	0	0	1	0.550000000000000044
268	371.430000000000007	C21H25NO5	\N	\N	1	COC1=C[C@@]23CCN([C@@H](C2=C[C@@H]1OC(=O)C)Cc1c3c(O)c(cc1)OC)C	27	6	0.479999999999999982	4	6	1	104.349999999999994	68.230000000000004	3.39000000000000012	1.98999999999999999	1.91999999999999993	1.65999999999999992	2.22999999999999998	2.24000000000000021	-3.29999999999999982	0.187	0.000505000000000000024	Soluble	-3.04999999999999982	0.332000000000000017	0.000893000000000000022	Soluble	-3.62000000000000011	0.0887000000000000011	0.000239000000000000009	Soluble	High	Yes	Yes	No	No	No	Yes	No	-7.15000000000000036	0	0	0	0	0	0.550000000000000044
275	456.490000000000009	C20H42O7P2	\N	\N	1	C[C@H](CCC[C@@H](CCCC(C)C)C)CCC/C(=C/COP(=O)(OP(=O)(O)O)O)/C	29	0	0.900000000000000022	17	7	3	120.760000000000005	132.909999999999997	3.5	6	6.59999999999999964	3.18999999999999995	4.48000000000000043	4.75	-5.33000000000000007	0.00213999999999999998	4.69999999999999989e-06	Moderately soluble	-8.57000000000000028	1.23000000000000008e-06	2.70000000000000019e-09	Poorly soluble	-3.75999999999999979	0.0792999999999999955	0.000174000000000000001	Soluble	Low	No	Yes	No	Yes	Yes	No	No	-4.82000000000000028	0	2	1	2	2	0.560000000000000053
287	288.25	C15H12O6	\N	\N	1	Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(c(c1)O)O	21	12	0.130000000000000004	1	6	4	73.5900000000000034	107.219999999999999	1.62000000000000011	2.02000000000000002	1.8899999999999999	0.160000000000000003	1.56000000000000005	1.44999999999999996	-3.25999999999999979	0.160000000000000003	0.000554000000000000022	Soluble	-3.89999999999999991	0.0364000000000000018	0.000126	Soluble	-2.83999999999999986	0.418999999999999984	0.0014499999999999999	Soluble	High	No	Yes	No	No	No	No	Yes	-6.62000000000000011	0	0	0	0	0	0.550000000000000044
291	146.139999999999986	C9H6O2	\N	\N	1	O=c1ccc2c(o1)cccc2	11	10	0	0	2	0	42.4799999999999969	30.2100000000000009	1.75	1.3899999999999999	1.79000000000000004	1.64999999999999991	2.5	1.82000000000000006	-2.29000000000000004	0.741999999999999993	0.00508000000000000031	Soluble	-1.62999999999999989	3.43999999999999995	0.0235000000000000001	Very soluble	-3.58999999999999986	0.0376999999999999974	0.000257999999999999983	Soluble	High	Yes	No	Yes	No	No	No	No	-6.20000000000000018	0	2	0	0	1	0.550000000000000044
299	290.269999999999982	C15H14O6	\N	\N	1	Oc1cc2O[C@@H](C[C@@H](c2c(c1)O)O)c1ccc(c(c1)O)O	21	12	0.200000000000000011	1	6	5	74.3299999999999983	110.379999999999995	1.45999999999999996	1.28000000000000003	1.41999999999999993	0.239999999999999991	0.979999999999999982	1.08000000000000007	-2.79999999999999982	0.457000000000000017	0.00157	Soluble	-3.20000000000000018	0.183999999999999997	0.000635000000000000039	Soluble	-2.14000000000000012	2.08999999999999986	0.00719000000000000021	Soluble	High	No	Yes	No	No	No	No	No	-7.16000000000000014	0	0	0	0	0	0.550000000000000044
306	136.22999999999999	C10H16	\N	\N	1	C=CC(=C)CCC=C(C)C	10	0	0.400000000000000022	4	0	0	48.759999999999998	0	2.89000000000000012	4.16999999999999993	3.47999999999999998	3.56000000000000005	3.04999999999999982	3.43000000000000016	-3.04999999999999982	0.121999999999999997	0.000895999999999999987	Soluble	-3.87999999999999989	0.0179999999999999986	0.00013200000000000001	Soluble	-2.41999999999999993	0.524000000000000021	0.00385000000000000012	Soluble	Low	Yes	No	No	No	No	No	No	-4.16999999999999993	0	1	0	0	2	0.550000000000000044
313	302.449999999999989	C20H30O2	\N	\N	1	CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C	22	0	0.75	2	2	1	92.2199999999999989	37.2999999999999972	3.10000000000000009	4.78000000000000025	5.20999999999999996	4.54000000000000004	4.15000000000000036	4.34999999999999964	-4.58999999999999986	0.00768999999999999979	2.54000000000000008e-05	Moderately soluble	-5.29000000000000004	0.00152999999999999989	5.06999999999999974e-06	Moderately soluble	-3.74000000000000021	0.0546999999999999986	0.000181000000000000009	Soluble	High	Yes	No	No	Yes	Yes	No	No	-4.75	1	0	0	0	0	0.560000000000000053
320	348.430000000000007	C20H28O5	\N	\N	1	OC(=O)[C@H]1[C@H]2[C@@]([C@H]3[C@]41CC(=C)[C@](C4)(O)CC3)(C)CCC[C@@]2(C)C(=O)O	25	0	0.800000000000000044	2	5	3	93.2900000000000063	94.8299999999999983	1.96999999999999997	2.24000000000000021	3.08000000000000007	2.79000000000000004	2.62000000000000011	2.54000000000000004	-3.2799999999999998	0.182999999999999996	0.000524999999999999968	Soluble	-3.87000000000000011	0.0473000000000000018	0.000135999999999999999	Soluble	-2.60000000000000009	0.885000000000000009	0.00254000000000000016	Soluble	High	No	Yes	No	No	No	No	No	-6.83999999999999986	0	0	0	0	0	0.560000000000000053
327	285.339999999999975	C17H19NO3	\N	\N	1	COc1cc2CCN[C@H](c2cc1O)Cc1ccc(cc1)O	21	12	0.28999999999999998	3	4	3	85.6200000000000045	61.7199999999999989	2.58000000000000007	2.58000000000000007	1.83000000000000007	1.84000000000000008	2.93999999999999995	2.35000000000000009	-3.45999999999999996	0.0990999999999999936	0.000346999999999999978	Soluble	-3.52000000000000002	0.0853000000000000008	0.000299000000000000004	Soluble	-4.94000000000000039	0.00324999999999999985	1.13999999999999993e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.20999999999999996	0	0	0	0	0	0.550000000000000044
334	299.360000000000014	C18H21NO3	\N	\N	1	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C	22	6	0.560000000000000053	1	4	1	86.7399999999999949	41.9299999999999997	2.66999999999999993	1.1399999999999999	1.12000000000000011	1.97999999999999998	1.8600000000000001	1.75	-2.54999999999999982	0.843999999999999972	0.00282000000000000002	Soluble	-1.6100000000000001	7.26999999999999957	0.0242999999999999987	Very soluble	-2.75999999999999979	0.515000000000000013	0.00171999999999999996	Soluble	High	Yes	Yes	No	No	No	Yes	No	-7.32000000000000028	0	0	0	0	0	0.550000000000000044
341	141.210000000000008	C8H15NO	\N	\N	1	CC(=O)C[C@@H]1CCCCN1	10	0	0.880000000000000004	2	2	1	45.3699999999999974	29.1000000000000014	2.04999999999999982	0.359999999999999987	0.729999999999999982	0.760000000000000009	1.68999999999999995	1.12000000000000011	-0.810000000000000053	21.8999999999999986	0.154999999999999999	Very soluble	-0.540000000000000036	41.1000000000000014	0.290999999999999981	Very soluble	-1.80000000000000004	2.2200000000000002	0.0156999999999999987	Soluble	High	Yes	No	No	No	No	No	No	-6.91000000000000014	0	1	0	0	1	0.550000000000000044
347	136.150000000000006	C8H8O2	\N	\N	1	C=Cc1ccc(c(c1)O)O	10	6	0	1	2	2	40.5799999999999983	40.4600000000000009	1.48999999999999999	1.96999999999999997	1.62999999999999989	1.3899999999999999	1.64999999999999991	1.62999999999999989	-2.29999999999999982	0.677000000000000046	0.00496999999999999959	Soluble	-2.45000000000000018	0.48899999999999999	0.00358999999999999988	Soluble	-1.65999999999999992	2.95999999999999996	0.0217999999999999999	Soluble	High	Yes	No	No	No	No	No	No	-5.73000000000000043	0	2	0	0	1	0.550000000000000044
354	204.349999999999994	C15H24	\N	\N	1	CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1	15	0	0.729999999999999982	1	0	0	69.0400000000000063	0	3.41000000000000014	3.79999999999999982	4.73000000000000043	4.62999999999999989	4.12000000000000011	4.13999999999999968	-3.43000000000000016	0.0751000000000000001	0.000366999999999999976	Soluble	-3.49000000000000021	0.0655000000000000027	0.000320000000000000026	Soluble	-3.52000000000000002	0.0618999999999999967	0.000302999999999999992	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.84999999999999964	1	0	0	0	1	0.550000000000000044
362	315.360000000000014	C18H21NO4	\N	\N	1	COc1ccc(cc1O)C[C@H]1NCCc2c1cc(O)c(c2)OC	23	12	0.330000000000000016	4	5	3	92.1099999999999994	70.9500000000000028	2.9700000000000002	2.54999999999999982	1.84000000000000008	1.52000000000000002	2.97999999999999998	2.37000000000000011	-3.52000000000000002	0.0943999999999999978	0.000299000000000000004	Soluble	-3.68999999999999995	0.0647999999999999965	0.000204999999999999996	Soluble	-5.05999999999999961	0.00275999999999999987	8.74999999999999923e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.41000000000000014	0	0	0	0	0	0.550000000000000044
368	127.230000000000004	C8H17N	\N	\N	1	CCC[C@H]1CCCCN1	9	0	1	2	1	1	45.1700000000000017	12.0299999999999994	2.43000000000000016	1.95999999999999996	1.55000000000000004	1.83000000000000007	2.18000000000000016	1.98999999999999999	-1.72999999999999998	2.35999999999999988	0.0185999999999999985	Very soluble	-1.84000000000000008	1.85000000000000009	0.0145000000000000007	Very soluble	-2.25	0.723999999999999977	0.00568999999999999975	Soluble	High	Yes	No	No	No	No	No	No	-5.67999999999999972	0	1	0	0	2	0.550000000000000044
374	275.350000000000023	C15H21N3O2	\N	\N	1	CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C	20	6	0.530000000000000027	3	3	1	84.9300000000000068	44.8100000000000023	2.7200000000000002	1.58000000000000007	1.01000000000000001	2.04000000000000004	0.930000000000000049	1.65999999999999992	-2.56999999999999984	0.746999999999999997	0.00271000000000000017	Soluble	-2.12999999999999989	2.0299999999999998	0.00738000000000000028	Soluble	-3.2200000000000002	0.166000000000000009	0.000604000000000000045	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.86000000000000032	0	0	0	0	0	0.550000000000000044
383	356.589999999999975	C24H40N2	\N	\N	1	CN([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]24[C@H]3CC[C@@H]4[C@@H](N(C2)C)C)C1)C)C	26	0	0.92000000000000004	1	2	0	115.629999999999995	6.48000000000000043	4.38999999999999968	4.84999999999999964	4.42999999999999972	4.79999999999999982	3.33999999999999986	4.36000000000000032	-5.04000000000000004	0.00324999999999999985	9.10999999999999917e-06	Moderately soluble	-4.71999999999999975	0.00679000000000000003	1.9000000000000001e-05	Moderately soluble	-4.05999999999999961	0.0313000000000000014	8.78999999999999953e-05	Moderately soluble	High	Yes	No	No	No	No	No	No	-5.03000000000000025	1	0	0	0	0	0.550000000000000044
389	150.219999999999999	C10H14O	\N	\N	1	OCc1ccc(cc1)C(C)C	11	6	0.400000000000000022	2	1	1	47.1499999999999986	20.2300000000000004	2.33000000000000007	2.33999999999999986	2.14999999999999991	2.49000000000000021	2.64999999999999991	2.39000000000000012	-2.52000000000000002	0.457000000000000017	0.00304000000000000017	Soluble	-2.39999999999999991	0.591999999999999971	0.00393999999999999993	Soluble	-3.0299999999999998	0.140000000000000013	0.00093099999999999997	Soluble	High	Yes	No	Yes	No	No	No	No	-5.54999999999999982	0	1	0	0	2	0.550000000000000044
396	96.0799999999999983	C5H4O2	\N	\N	1	C=C1C=CC(=O)O1	7	0	0	0	2	0	24.370000000000001	26.3000000000000007	1.34000000000000008	0.849999999999999978	0.609999999999999987	0.299999999999999989	1.18999999999999995	0.859999999999999987	-0.969999999999999973	10.3000000000000007	0.106999999999999998	Very soluble	-0.989999999999999991	9.92999999999999972	0.102999999999999994	Very soluble	-0.450000000000000011	34.1000000000000014	0.354999999999999982	Soluble	High	Yes	No	No	No	No	No	No	-6.28000000000000025	0	3	0	0	1	0.550000000000000044
403	523.529999999999973	C25H33NO11	\N	\N	1	C=C[C@H]1[C@@H](OC=C([C@H]1C[C@H]1NCCc2c1cc(O)c(c2)O)C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	37	6	0.560000000000000053	8	12	7	130.75	187.400000000000006	3.14000000000000012	-0.270000000000000018	-1.37999999999999989	-1.32000000000000006	-0.57999999999999996	-0.0800000000000000017	-2.50999999999999979	1.62999999999999989	0.00310999999999999992	Soluble	-3.20999999999999996	0.325000000000000011	0.000622000000000000049	Soluble	-0.630000000000000004	123	0.234000000000000014	Soluble	Low	No	Yes	No	No	No	No	No	-9.6899999999999995	3	3	1	1	3	0.110000000000000001
410	268.310000000000002	C16H16N2O2	\N	\N	1	CN1C[C@H](C=C2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)O	20	9	0.309999999999999998	1	3	2	81.75	56.3299999999999983	1.70999999999999996	0	1.73999999999999999	1.80000000000000004	2.12000000000000011	1.46999999999999997	-1.77000000000000002	4.54999999999999982	0.0170000000000000012	Very soluble	-0.729999999999999982	49.5	0.183999999999999997	Very soluble	-3.33000000000000007	0.125	0.000465999999999999997	Soluble	High	Yes	Yes	No	No	No	Yes	No	-7.94000000000000039	0	0	0	0	0	0.550000000000000044
422	424.399999999999977	C20H24O10	\N	\N	1	O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13[C@]4([C@@H]2O)[C@H](OC3=O)C[C@H]([C@@]24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C	30	0	0.849999999999999978	1	10	3	93.2900000000000063	148.819999999999993	1.59000000000000008	-0.380000000000000004	-1.37000000000000011	0.0599999999999999978	-0.0700000000000000067	-0.0299999999999999989	-2.16999999999999993	2.89999999999999991	0.00683000000000000013	Soluble	-2.2799999999999998	2.2200000000000002	0.00521999999999999981	Soluble	-0.770000000000000018	72.7000000000000028	0.171000000000000013	Soluble	Low	No	Yes	No	No	No	No	No	-9.16000000000000014	0	1	1	1	0	0.550000000000000044
430	594.519999999999982	C27H30O15	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	42	16	0.440000000000000002	6	15	10	138.72999999999999	260.199999999999989	1.79000000000000004	-1.60000000000000009	-2.75999999999999979	-4.09999999999999964	-1.79000000000000004	-1.68999999999999995	-2.39999999999999991	2.35000000000000009	0.00395000000000000039	Soluble	-3.35999999999999988	0.262000000000000011	0.000440999999999999986	Soluble	-0.589999999999999969	154	0.259000000000000008	Soluble	Low	No	Yes	No	No	No	No	No	-11.0600000000000005	3	4	1	1	3	0.170000000000000012
437	151.210000000000008	C9H13NO	\N	\N	1	O[C@@H](c1ccccc1)[C@@H](N)C	11	6	0.330000000000000016	2	2	2	44.8900000000000006	46.25	1.82000000000000006	0.82999999999999996	0.739999999999999991	1.26000000000000001	1.14999999999999991	1.15999999999999992	-1.57000000000000006	4.04999999999999982	0.0268000000000000009	Very soluble	-1.37999999999999989	6.25	0.0413000000000000034	Very soluble	-1.92999999999999994	1.78000000000000003	0.0117999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-6.62999999999999989	0	1	0	0	1	0.550000000000000044
444	218.289999999999992	C13H18N2O	\N	\N	1	COc1ccc2c(c1)c(CCN(C)C)c[nH]2	16	9	0.380000000000000004	4	2	1	67.0699999999999932	28.2600000000000016	2.54000000000000004	2.79000000000000004	2.2799999999999998	1.5	2.79000000000000004	2.37999999999999989	-3.10000000000000009	0.171999999999999986	0.000787999999999999963	Soluble	-3.04000000000000004	0.19900000000000001	0.00091200000000000005	Soluble	-4.33999999999999986	0.0100000000000000002	4.5800000000000002e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	No	-5.65000000000000036	0	0	0	0	0	0.550000000000000044
452	735.690000000000055	C34H41NO17	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/C(=O)O[C@@H]2CO[C@@H]([C@@H]([C@@H]2O)O)OC[C@H]2O[C@H](O[C@@H](c3ccccc3)C#N)[C@@H]([C@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O	52	12	0.530000000000000027	13	18	9	169.419999999999987	287.54000000000002	2.45000000000000018	-2.14999999999999991	-3.45999999999999996	-4.08999999999999986	-2.58000000000000007	-1.96999999999999997	-2.35999999999999988	3.20999999999999996	0.00436999999999999975	Soluble	-3.35999999999999988	0.322000000000000008	0.000438000000000000021	Soluble	0.650000000000000022	3320	4.50999999999999979	Soluble	Low	No	No	No	No	No	No	No	-12.3100000000000005	3	4	2	1	5	0.170000000000000012
460	427.399999999999977	C19H25NO10	\N	\N	1	N#C[C@@H](c1ccccc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O	30	6	0.630000000000000004	6	11	6	95.9200000000000017	182.090000000000003	2	-2.64999999999999991	-2.79000000000000004	-3.04999999999999982	-2.2200000000000002	-1.73999999999999999	-0.569999999999999951	114	0.268000000000000016	Very soluble	-0.630000000000000004	101	0.236999999999999988	Very soluble	0.949999999999999956	3830	8.94999999999999929	Soluble	Low	No	No	No	No	No	No	No	-10.7899999999999991	2	1	1	1	4	0.170000000000000012
2915	478.62299999999999	C29H38N2O4	Amebicide	C07996	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
468	311.29000000000002	C14H17NO7	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H](c2cccc(c2)O)C#N)[C@@H]([C@H]([C@@H]1O)O)O	22	6	0.5	4	8	5	71.5300000000000011	143.400000000000006	0.320000000000000007	-0.92000000000000004	-1.55000000000000004	-2.10000000000000009	-1.12000000000000011	-1.07000000000000006	-1.12999999999999989	23.1999999999999993	0.0743999999999999939	Very soluble	-1.6100000000000001	7.67999999999999972	0.0246999999999999997	Very soluble	0.239999999999999991	537	1.72999999999999998	Soluble	Low	No	No	No	No	No	No	No	-8.84999999999999964	0	1	1	1	0	0.550000000000000044
475	451.529999999999973	C13H25NO10S3	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/CCCCC[S@](=O)C)[C@@H]([C@H]([C@@H]1O)O)O	27	0	0.92000000000000004	11	11	5	99.4000000000000057	236.069999999999993	1.26000000000000001	-1.70999999999999996	0.540000000000000036	-2.5	-2.39000000000000012	-0.959999999999999964	-0.839999999999999969	65.7999999999999972	0.145999999999999991	Very soluble	-2.72999999999999998	0.832999999999999963	0.00184000000000000006	Soluble	0.440000000000000002	1250	2.75999999999999979	Soluble	Low	No	Yes	No	No	No	No	No	-10.2699999999999996	1	0	2	1	2	0.110000000000000001
483	391.420000000000016	C11H21NO10S2	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/CC(O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	24	0	0.910000000000000031	7	11	6	82.7099999999999937	220.02000000000001	0.209999999999999992	-1.93999999999999995	-1.1100000000000001	-2.9700000000000002	-2.89999999999999991	-1.73999999999999999	-0.57999999999999996	102	0.26100000000000001	Very soluble	-2.16000000000000014	2.7200000000000002	0.00693999999999999999	Soluble	2.16000000000000014	56700	145	Soluble	Low	No	Yes	No	No	No	No	No	-10.0700000000000003	2	1	1	1	3	0.110000000000000001
489	373.399999999999977	C11H19NO9S2	\N	\N	1	C=CCC/C(=N\\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	23	0	0.729999999999999982	8	10	5	81.0300000000000011	199.789999999999992	0.819999999999999951	-0.770000000000000018	-0.299999999999999989	-2.29000000000000004	-2.0299999999999998	-0.92000000000000004	-1.1399999999999999	26.8999999999999986	0.0720999999999999974	Very soluble	-2.95000000000000018	0.420999999999999985	0.00112999999999999993	Soluble	1.54000000000000004	13100	35	Soluble	Low	No	Yes	No	No	No	No	No	-9.11999999999999922	0	0	1	1	1	0.110000000000000001
496	389.399999999999977	C11H19NO10S2	\N	\N	1	C=C[C@@H](C/C(=N\\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	24	0	0.729999999999999982	8	11	6	82.1899999999999977	220.02000000000001	0.469999999999999973	-1.87999999999999989	-1.33000000000000007	-3.06000000000000005	-2.75999999999999979	-1.70999999999999996	-0.540000000000000036	112	0.286999999999999977	Very soluble	-2.2200000000000002	2.33999999999999986	0.00602000000000000018	Soluble	2.49000000000000021	120000	308	Soluble	Low	No	Yes	No	No	No	No	No	-10.0099999999999998	2	1	1	1	3	0.110000000000000001
503	258.269999999999982	C15H14O4	\N	\N	1	CC/C=C\\C#CC(=O)c1ccc(o1)/C=C/C(=O)OC	19	5	0.200000000000000011	5	4	0	71.6200000000000045	56.509999999999998	3.37999999999999989	3.39000000000000012	2.58999999999999986	1.23999999999999999	3.4700000000000002	2.81000000000000005	-3.43999999999999995	0.0933999999999999969	0.000362000000000000017	Soluble	-4.25999999999999979	0.0143000000000000002	5.55000000000000006e-05	Moderately soluble	-2.68999999999999995	0.521000000000000019	0.00202000000000000009	Soluble	High	Yes	No	Yes	Yes	Yes	No	No	-5.46999999999999975	0	0	0	0	0	0.550000000000000044
510	313.350000000000023	C18H19NO4	\N	\N	1	CC(=O)O[C@@H]1CC=C2[C@@H]3[C@@H]1c1cc4OCOc4cc1CN3CC2	23	6	0.5	2	5	0	86.980000000000004	48	2.72999999999999998	1.66999999999999993	1.82000000000000006	2.2799999999999998	2.18000000000000016	2.14000000000000012	-2.89999999999999991	0.39800000000000002	0.00127000000000000008	Soluble	-2.29000000000000004	1.60000000000000009	0.00510000000000000037	Soluble	-3.10000000000000009	0.252000000000000002	0.000804000000000000027	Soluble	High	Yes	No	No	No	No	Yes	Yes	-7.03000000000000025	0	0	0	0	0	0.550000000000000044
517	347.360000000000014	C18H21NO6	\N	\N	1	CO[C@@H]1C[C@H]2N3Cc4c([C@@]2([C@@H]2[C@H]1O2)[C@@H](C3)O)cc1c(c4OC)OCO1	25	6	0.67000000000000004	2	7	1	88.9500000000000028	72.9200000000000017	2.95000000000000018	0.409999999999999976	-0.130000000000000004	0.299999999999999989	1.26000000000000001	0.959999999999999964	-2.29999999999999982	1.75	0.00504000000000000021	Soluble	-1.51000000000000001	10.8000000000000007	0.0309999999999999998	Very soluble	-2.18999999999999995	2.25	0.00647000000000000006	Soluble	High	No	No	No	No	No	Yes	No	-8.13000000000000078	0	0	0	0	0	0.550000000000000044
524	211.169999999999987	C9H9NO5	\N	\N	1	O=C/C=C/1\\C[C@H](NC(=C1)C(=O)O)C(=O)O	15	0	0.220000000000000001	3	5	3	52.7800000000000011	103.700000000000003	0.589999999999999969	-0.309999999999999998	-0.849999999999999978	-3.27000000000000002	-0.369999999999999996	-0.839999999999999969	-0.760000000000000009	37	0.174999999999999989	Very soluble	-1.40999999999999992	8.26999999999999957	0.0391999999999999987	Very soluble	0.429999999999999993	563	2.66999999999999993	Soluble	High	No	No	No	No	No	No	No	-7.80999999999999961	0	1	0	0	0	0.560000000000000053
532	326.300000000000011	C14H18N2O7	\N	\N	1	OCCC[C@@H](C(=O)O)N/C=C/C1=CC(=N[C@H](C1)C(=O)O)C(=O)O	23	0	0.429999999999999993	9	8	5	82.6400000000000006	156.52000000000001	0.110000000000000001	-0.440000000000000002	-0.760000000000000009	-3.5	0.100000000000000006	-0.900000000000000022	-0.989999999999999991	33.2000000000000028	0.101999999999999993	Very soluble	-2.37999999999999989	1.3600000000000001	0.00415000000000000004	Soluble	0.25	582	1.78000000000000003	Soluble	Low	No	No	No	No	No	No	No	-8.59999999999999964	0	1	1	1	1	0.110000000000000001
538	330.339999999999975	C17H18N2O5	\N	\N	1	Oc1ccc(cc1)CCN/C=C/C1=CC(=N[C@@H](C1)C(=O)O)C(=O)O	24	6	0.239999999999999991	7	6	4	91.7999999999999972	119.219999999999999	1.32000000000000006	1.5	0.969999999999999973	0.330000000000000016	1.79000000000000004	1.17999999999999994	-2.56000000000000005	0.918000000000000038	0.00277999999999999992	Soluble	-3.60999999999999988	0.0807999999999999968	0.000244999999999999992	Soluble	-2.43999999999999995	1.20999999999999996	0.00366000000000000006	Soluble	High	No	No	No	No	No	No	No	-7.25	0	0	0	0	0	0.560000000000000053
546	268.220000000000027	C11H12N2O6	\N	\N	1	OC(=O)CN/C=C/C1=CC(=N[C@@H](C1)C(=O)O)C(=O)O	19	0	0.270000000000000018	6	7	4	67.0600000000000023	136.289999999999992	0.400000000000000022	-0.5	-0.900000000000000022	-3.54000000000000004	-0.320000000000000007	-0.969999999999999973	-0.790000000000000036	43.2999999999999972	0.161000000000000004	Very soluble	-1.8899999999999999	3.41999999999999993	0.0128000000000000006	Very soluble	0.510000000000000009	864	3.2200000000000002	Soluble	Low	No	No	No	No	No	No	No	-8.28999999999999915	0	1	0	1	0	0.560000000000000053
555	272.25	C15H12O5	\N	\N	1	Oc1ccc(c(c1)O)C(=O)/C=C/c1ccc(c(c1)O)O	20	12	0	3	5	4	74.3400000000000034	97.9899999999999949	1.65999999999999992	2.81999999999999984	2.29999999999999982	1.02000000000000002	2	1.95999999999999996	-3.54999999999999982	0.0766000000000000014	0.000281	Soluble	-4.54000000000000004	0.00793999999999999914	2.92000000000000016e-05	Moderately soluble	-2.64999999999999991	0.604999999999999982	0.00222000000000000018	Soluble	High	No	No	Yes	No	Yes	No	Yes	-5.95999999999999996	0	0	0	0	0	0.550000000000000044
563	552.870000000000005	C40H56O	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\[C@]12O[C@]2(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\\C	41	0	0.5	10	1	0	183.949999999999989	12.5299999999999994	7.73000000000000043	12.6600000000000001	11.8200000000000003	7.95999999999999996	12.5	10.5299999999999994	-10.5800000000000001	1.43999999999999999e-08	2.60999999999999991e-11	Insoluble	-12.9499999999999993	6.1799999999999996e-11	1.12000000000000002e-13	Insoluble	-7.30999999999999961	2.6999999999999999e-05	4.88000000000000002e-08	Poorly soluble	Low	No	Yes	No	No	No	No	No	-0.680000000000000049	2	4	0	1	2	0.170000000000000012
571	448.379999999999995	C21H20O11	\N	\N	1	OC[C@H]1O[C@@H](OC2=C(C(=O)/C=C/c3ccc(cc3)O)C(=CC(=O)C2=O)O)[C@@H]([C@H]([C@@H]1O)O)O	32	6	0.28999999999999998	6	11	6	104.859999999999999	191.050000000000011	1.18999999999999995	-0.540000000000000036	-1.46999999999999997	-3.14000000000000012	-0.530000000000000027	-0.900000000000000022	-2.02000000000000002	4.25999999999999979	0.00949999999999999976	Soluble	-3	0.445000000000000007	0.000992999999999999959	Soluble	-0.149999999999999994	317	0.705999999999999961	Soluble	Low	No	No	No	No	No	No	No	-9.41999999999999993	2	1	1	1	3	0.110000000000000001
579	600.870000000000005	C40H56O4	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C=C1C(C)(C)C[C@@H](C[C@@]1(C)O)O)/C)/C)/C=C/C=C(/C=C/[C@]12O[C@]2(C)C[C@H](CC1(C)C)O)\\C	44	0	0.530000000000000027	9	4	3	186.659999999999997	73.2199999999999989	7.16000000000000014	8.74000000000000021	8.72000000000000064	5.29999999999999982	10.0099999999999998	7.99000000000000021	-8.48000000000000043	1.99999999999999991e-06	3.32999999999999987e-09	Poorly soluble	-10.1600000000000001	4.17000000000000028e-08	6.95000000000000056e-11	Insoluble	-5.07000000000000028	0.00517000000000000012	8.61000000000000057e-06	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-3.75999999999999979	2	4	0	1	2	0.170000000000000012
588	595.529999999999973	C27H31O15	\N	\N	1	Oc1cc(O)c2c(c1)[o+]c(c(c2)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O	42	16	0.440000000000000002	6	15	10	139.52000000000001	252.360000000000014	-4.21999999999999975	-1.51000000000000001	-0.770000000000000018	-3.08000000000000007	-3.43000000000000016	-2.60000000000000009	-2.4700000000000002	2.0299999999999998	0.00340999999999999984	Soluble	-3.2799999999999998	0.309999999999999998	0.000519999999999999954	Soluble	0.280000000000000027	1150	1.91999999999999993	Soluble	Low	No	No	No	No	No	No	No	-11	3	4	1	1	3	0.170000000000000012
596	426.720000000000027	C30H50O	\N	\N	1	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C	31	0	0.930000000000000049	1	1	1	135.139999999999986	20.2300000000000004	4.75999999999999979	9.86999999999999922	8.01999999999999957	6.91999999999999993	6.82000000000000028	7.28000000000000025	-8.64000000000000057	9.82999999999999948e-07	2.29999999999999992e-09	Poorly soluble	-10.2200000000000006	2.57999999999999994e-08	6.04999999999999979e-11	Insoluble	-6.74000000000000021	7.6899999999999999e-05	1.79999999999999997e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-1.89999999999999991	1	3	0	1	2	0.550000000000000044
604	426.720000000000027	C30H50O	\N	\N	1	C=C1CC[C@]2([C@@H]([C@@H]1C)[C@H]1CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C	31	0	0.930000000000000049	0	1	1	135.139999999999986	20.2300000000000004	4.62999999999999989	9.13000000000000078	8.01999999999999957	6.91999999999999993	6.80999999999999961	7.09999999999999964	-8.24000000000000021	2.47000000000000007e-06	5.79000000000000006e-09	Poorly soluble	-9.44999999999999929	1.50999999999999989e-07	3.55000000000000015e-10	Poorly soluble	-6.95999999999999996	4.64999999999999986e-05	1.08999999999999997e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-2.41999999999999993	1	3	0	1	2	0.550000000000000044
2916	758.830199999999991	(C17H19NO3)2. H2SO4. 5H2O	Narcotic, Analgesic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2917	428.310000000000002	C18H22O8P2	Estrogen	C08145	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
610	254.240000000000009	C15H10O4	\N	\N	1	Oc1ccc(cc1)/C=C/1\\Oc2c(C1=O)ccc(c2)O	19	12	0	1	4	2	69.8700000000000045	66.7600000000000051	1.87999999999999989	2.89000000000000012	2.60999999999999988	1.18999999999999995	2.7799999999999998	2.27000000000000002	-3.64000000000000012	0.0585000000000000034	0.000230000000000000007	Soluble	-3.95000000000000018	0.0284000000000000016	0.000111999999999999998	Soluble	-3.97999999999999998	0.0267000000000000015	0.000105000000000000004	Soluble	High	Yes	No	Yes	No	No	No	Yes	-5.79999999999999982	0	0	0	0	0	0.550000000000000044
619	661.740000000000009	C34H47NO12	\N	\N	1	COC[C@@]12CN(CC)[C@H]3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@@]4(O)C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC	47	6	0.760000000000000009	11	13	4	166.699999999999989	173.680000000000007	3.37999999999999989	-0.780000000000000027	-0.619999999999999996	-0.520000000000000018	0.57999999999999996	0.409999999999999976	-2.81999999999999984	1	0.00151000000000000006	Soluble	-2.39000000000000012	2.70000000000000018	0.00408000000000000029	Soluble	-3.14000000000000012	0.481999999999999984	0.000728000000000000023	Soluble	Low	No	Yes	No	No	No	No	No	-10.8900000000000006	2	4	2	1	3	0.170000000000000012
627	363.490000000000009	C21H33NO4	\N	\N	1	CCN1C[C@]2(C)CC[C@@H]([C@]34[C@H]1[C@](O)(C[C@H]23)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)CC1)O)O	26	0	1	1	5	4	101.390000000000001	84.1599999999999966	2.83999999999999986	0.440000000000000002	0.359999999999999987	1.73999999999999999	0.910000000000000031	1.26000000000000001	-2.29999999999999982	1.80000000000000004	0.00496	Soluble	-1.78000000000000003	6.09999999999999964	0.016799999999999999	Very soluble	-1.37000000000000011	15.5999999999999996	0.0429000000000000006	Soluble	High	No	Yes	No	No	No	No	No	-8.19999999999999929	0	0	0	0	0	0.550000000000000044
635	479.610000000000014	C26H41NO7	\N	\N	1	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](O)[C@]2([C@H]3N(C1)CC)OCO[C@@]12[C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)OC	34	0	1	6	8	1	126.340000000000003	78.8499999999999943	2.24000000000000021	0.359999999999999987	0.910000000000000031	0.800000000000000044	1.51000000000000001	1.15999999999999992	-2.64000000000000012	1.09000000000000008	0.00226999999999999988	Soluble	-1.58000000000000007	12.5999999999999996	0.0263000000000000005	Very soluble	-2.81000000000000005	0.75	0.00155999999999999997	Soluble	High	No	Yes	No	No	No	No	No	-8.97000000000000064	0	1	0	0	0	0.550000000000000044
644	630.730000000000018	C33H46N2O10	\N	\N	1	CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@](O)(C[C@H]23)[C@@]1([C@@]2([C@@]4(O)C[C@@H]([C@@H]2OC)[C@H](C1)OC)O)O)OC)COC(=O)c1ccccc1NC(=O)C	45	6	0.760000000000000009	10	11	5	164.259999999999991	167.25	3.12999999999999989	-0.299999999999999989	0.130000000000000004	-0.0899999999999999967	1.37999999999999989	0.849999999999999978	-3	0.630000000000000004	0.00100000000000000002	Soluble	-2.75	1.12000000000000011	0.00177000000000000009	Soluble	-4.28000000000000025	0.0333999999999999991	5.30000000000000008e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-10.3599999999999994	2	3	1	1	3	0.170000000000000012
652	377.519999999999982	C22H35NO4	\N	\N	1	CCN1C[C@]2(C)CC[C@@H]([C@]34[C@H]1[C@H](C[C@H]23)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2O)OC)O	27	0	1	2	5	3	106.079999999999998	73.1599999999999966	2.85000000000000009	1.06000000000000005	0.869999999999999996	1.95999999999999996	1.06000000000000005	1.56000000000000005	-2.7200000000000002	0.724999999999999978	0.00192000000000000005	Soluble	-2.18999999999999995	2.45000000000000018	0.00649000000000000011	Soluble	-1.6100000000000001	9.26999999999999957	0.0245000000000000009	Soluble	High	No	Yes	No	No	No	No	No	-7.84999999999999964	0	0	0	0	0	0.550000000000000044
659	359.5	C22H33NO3	\N	\N	1	CCN1C[C@]2(C)CC[C@@H]([C@]34[C@H]1[C@H](C[C@H]23)[C@]12[C@H]4C[C@@H]([C@H](C1)C(=C)[C@H]2O)O)O	26	0	0.910000000000000031	1	4	3	104.230000000000004	63.9299999999999997	2.97999999999999998	1.21999999999999997	1.40999999999999992	2.64000000000000012	1.79000000000000004	2.00999999999999979	-2.77000000000000002	0.607999999999999985	0.0016900000000000001	Soluble	-2.16000000000000014	2.49000000000000021	0.00691999999999999994	Soluble	-2.10999999999999988	2.77000000000000002	0.00770999999999999984	Soluble	High	Yes	Yes	No	No	No	No	No	-7.62999999999999989	0	0	0	0	0	0.550000000000000044
666	311.420000000000016	C20H25NO2	\N	\N	1	C=C1C[C@]23C[C@]4(O)N5[C@@H]6[C@H]2C[C@H]1C(=O)[C@H]3[C@@]16[C@H]4[C@@](C5)(C)CCC1	23	0	0.849999999999999978	0	3	1	90.4099999999999966	40.5399999999999991	2.5299999999999998	1.8600000000000001	1.96999999999999997	3.35000000000000009	2.79000000000000004	2.5	-2.93999999999999995	0.354999999999999982	0.00113999999999999995	Soluble	-2.33000000000000007	1.44999999999999996	0.00464999999999999962	Soluble	-3.06000000000000005	0.270000000000000018	0.000867000000000000041	Soluble	High	Yes	Yes	No	No	No	No	No	-6.87999999999999989	0	0	0	0	0	0.550000000000000044
674	331.300000000000011	C17H15O7	\N	\N	1	COc1cc(cc(c1O)OC)c1[o+]c2cc(O)cc(c2cc1O)O	24	16	0.119999999999999996	3	7	4	87.1299999999999955	112.519999999999996	-1.80000000000000004	1.07000000000000006	3.2200000000000002	0.280000000000000027	0.800000000000000044	0.709999999999999964	-2.85999999999999988	0.454000000000000015	0.00136999999999999991	Soluble	-3.02000000000000002	0.313	0.000944999999999999985	Soluble	-3.45999999999999996	0.114000000000000004	0.000344000000000000013	Soluble	High	No	Yes	Yes	No	No	No	No	-7.55999999999999961	0	0	0	0	0	0.550000000000000044
681	288.25	C15H12O6	\N	\N	1	Oc1ccc(cc1O)/C=C/C(=O)c1ccc(c(c1O)O)O	21	12	0	3	6	5	76.3599999999999994	118.219999999999999	1.95999999999999996	2.4700000000000002	2	0.479999999999999982	1.52000000000000002	1.68999999999999995	-3.41000000000000014	0.113000000000000003	0.000391000000000000017	Soluble	-4.59999999999999964	0.00728999999999999961	2.52999999999999983e-05	Moderately soluble	-2.06999999999999984	2.43999999999999995	0.00844999999999999918	Soluble	High	No	No	Yes	No	Yes	No	Yes	-6.29999999999999982	0	0	0	0	0	0.550000000000000044
693	520.529999999999973	C26H32O11	\N	\N	1	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O	37	0	0.689999999999999947	5	11	3	124.129999999999995	165.889999999999986	2.58999999999999986	0.900000000000000022	0.520000000000000018	-0.0899999999999999967	1.12999999999999989	1.01000000000000001	-3.29999999999999982	0.258000000000000007	0.000496000000000000022	Soluble	-3.9700000000000002	0.0558999999999999983	0.000106999999999999999	Soluble	-1.64999999999999991	11.6999999999999993	0.0224999999999999992	Soluble	Low	No	Yes	No	No	No	No	No	-8.83999999999999986	2	1	1	1	2	0.170000000000000012
701	394.420000000000016	C20H26O8	\N	\N	1	O=C1O[C@@H]2C[C@H]3C(=CC(=O)[C@H]([C@@]3([C@@H]3[C@@]42[C@@H]([C@H]1O)[C@@H](C)[C@H]([C@@]3(OC4)O)O)C)O)C	28	0	0.800000000000000044	0	8	4	93.9500000000000028	133.52000000000001	1.45999999999999996	-0.910000000000000031	-0.859999999999999987	-0.0200000000000000004	-0.140000000000000013	-0.0899999999999999967	-1.70999999999999996	7.65000000000000036	0.0194000000000000006	Very soluble	-1.40999999999999992	15.3000000000000007	0.0388000000000000012	Very soluble	-0.510000000000000009	122	0.309999999999999998	Soluble	High	No	Yes	No	No	No	No	No	-9.34999999999999964	0	1	0	1	0	0.550000000000000044
708	390.470000000000027	C22H30O6	\N	\N	1	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)[C@H]1C(=O)C(=C([C@H]3[C@@]1([C@@H](C2)O[C@H](C3)O)C)C)OC	28	0	0.729999999999999982	2	6	1	102.760000000000005	82.0600000000000023	1.98999999999999999	2.25	2.60999999999999988	1.1100000000000001	2.49000000000000021	2.08999999999999986	-3.54999999999999982	0.111000000000000001	0.000284000000000000018	Soluble	-3.60999999999999988	0.096000000000000002	0.000246000000000000016	Soluble	-3.31000000000000005	0.192000000000000004	0.000491000000000000008	Soluble	High	No	Yes	No	No	No	No	No	-7.08000000000000007	0	0	0	0	0	0.550000000000000044
717	330.329999999999984	C18H18O6	\N	\N	1	O=C1O[C@@H]2[C@@]3([C@H]1[C@]1(CO3)C(=O)C=C3[C@]([C@H]1[C@H]2O)(C)C(=O)C=C3C)C	24	0	0.609999999999999987	0	6	1	80.5699999999999932	89.9000000000000057	1.87999999999999989	-1.07000000000000006	0.340000000000000024	0.530000000000000027	1.73999999999999999	0.680000000000000049	-1.20999999999999996	20.1999999999999993	0.0611000000000000015	Very soluble	-0.330000000000000016	155	0.468999999999999972	Very soluble	-2.2799999999999998	1.71999999999999997	0.00519999999999999976	Soluble	High	No	Yes	No	No	No	No	No	-9.07000000000000028	0	0	0	0	0	0.550000000000000044
725	474.720000000000027	C30H50O4	\N	\N	1	C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)C)C)CC[C@@H](C(O)(C)C)O	34	0	0.900000000000000022	5	4	3	140.080000000000013	77.7600000000000051	4.44000000000000039	5.08000000000000007	5.67999999999999972	4.16000000000000014	5.73000000000000043	5.01999999999999957	-5.65000000000000036	0.00104999999999999994	2.21999999999999992e-06	Moderately soluble	-6.45999999999999996	0.000165999999999999996	3.49999999999999984e-07	Poorly soluble	-5.45000000000000018	0.00169999999999999991	3.58999999999999993e-06	Moderately soluble	High	No	No	No	No	No	No	No	-5.58999999999999986	1	3	0	0	1	0.550000000000000044
733	556.690000000000055	C32H44O8	\N	\N	1	CC(=O)OC(/C=C/C(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C=C(O)C(=O)C2(C)C)C)C)(O)C)(C)C	40	0	0.689999999999999947	6	8	3	150.879999999999995	138.199999999999989	3.93000000000000016	3.25	4.19000000000000039	1.67999999999999994	4.49000000000000021	3.50999999999999979	-4.94000000000000039	0.00634999999999999974	1.13999999999999993e-05	Moderately soluble	-5.83000000000000007	0.000831000000000000033	1.48999999999999992e-06	Moderately soluble	-4.25	0.0315000000000000002	5.66000000000000002e-05	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-7.38999999999999968	1	3	0	1	0	0.550000000000000044
742	498.649999999999977	C30H42O6	\N	\N	1	O=C1C[C@H](O[C@H]2[C@H]([C@@H]1C)[C@@]1(C)CC(=O)[C@@]3([C@H]([C@@]1(C2)C)CC=C1[C@H]3C=C(O)C(=O)C1(C)C)C)C(O)(C)C	36	0	0.770000000000000018	1	6	2	138.219999999999999	100.900000000000006	3.37999999999999989	3.22999999999999998	4.74000000000000021	2.24000000000000021	4.30999999999999961	3.58000000000000007	-4.90000000000000036	0.0062700000000000004	1.25999999999999996e-05	Moderately soluble	-5.01999999999999957	0.00474000000000000029	9.51000000000000043e-06	Moderately soluble	-5	0.00493999999999999995	9.90999999999999999e-06	Moderately soluble	High	No	Yes	No	No	No	No	No	-7.04999999999999982	0	3	0	0	0	0.550000000000000044
750	520.649999999999977	C29H44O8	\N	\N	1	O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(O)CC[C@@H]2[C@]([C@@H](C[C@@H]1[C@@H](C)OC(=O)[C@H]1C)O)(O)C)C	37	0	0.859999999999999987	4	8	5	137.319999999999993	144.52000000000001	3.20000000000000018	1.03000000000000003	1.8899999999999999	1.44999999999999996	2.37999999999999989	1.98999999999999999	-3.45000000000000018	0.182999999999999996	0.000351999999999999991	Soluble	-3.64999999999999991	0.115000000000000005	0.000221000000000000005	Soluble	-2.45999999999999996	1.82000000000000006	0.00350000000000000007	Soluble	Low	No	Yes	No	No	No	No	No	-8.74000000000000021	1	3	1	1	0	0.550000000000000044
2918	598.083099999999945	C26H28ClNO. C6H8O7	Anti-estrogen	C08161	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2919	563.638100000000009	C26H29NO. C6H8O7	Antiestrogen	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
758	462.620000000000005	C27H42O6	\N	\N	1	O=C1CC2=C([C@@]3([C@H]1C[C@@H](O)[C@H](C3)O)C)CC[C@]1(C2=CC[C@@H]1[C@]([C@@H](CCC(O)(C)C)O)(O)C)C	33	0	0.810000000000000053	5	6	5	128.060000000000002	118.219999999999999	3.14000000000000012	0.890000000000000013	2.79999999999999982	1.83000000000000007	3.29999999999999982	2.39000000000000012	-2.93999999999999995	0.532000000000000028	0.00114999999999999998	Soluble	-2.95999999999999996	0.510000000000000009	0.00110000000000000007	Soluble	-3.14000000000000012	0.336000000000000021	0.000725999999999999974	Soluble	High	No	Yes	No	No	No	No	No	-8.49000000000000021	0	1	0	0	0	0.550000000000000044
766	412.689999999999998	C29H48O	\N	\N	1	CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2)O)C	30	0	0.859999999999999987	5	1	1	132.75	20.2300000000000004	5.11000000000000032	8.30000000000000071	7.79999999999999982	6.62000000000000011	6.86000000000000032	6.94000000000000039	-7.29999999999999982	2.08000000000000008e-05	5.04000000000000013e-08	Poorly soluble	-8.58999999999999986	1.06000000000000002e-06	2.58000000000000019e-09	Poorly soluble	-5.46999999999999975	0.00139999999999999999	3.39000000000000015e-06	Moderately soluble	Low	No	No	No	No	No	No	No	-2.91999999999999993	1	3	0	1	2	0.550000000000000044
774	552.649999999999977	C29H44O10	\N	\N	1	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@]2([C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	39	0	0.900000000000000022	3	10	6	138.340000000000003	166.139999999999986	3.33000000000000007	-1.1100000000000001	0.540000000000000036	0.409999999999999976	0.520000000000000018	0.739999999999999991	-2.37000000000000011	2.35999999999999988	0.00427000000000000036	Soluble	-1.8899999999999999	7.15000000000000036	0.0129	Very soluble	-1.07000000000000006	46.6000000000000014	0.0842999999999999999	Soluble	Low	No	Yes	No	No	No	No	No	-10.4600000000000009	2	3	1	1	2	0.170000000000000012
783	604.690000000000055	C32H44O11	\N	\N	1	CO[C@H]1[C@H](OC(=O)C)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3[C@@H]3O[C@@H]3[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)O[C@H]([C@@H]1O)C	43	0	0.839999999999999969	7	11	2	149.620000000000005	150.349999999999994	3.60000000000000009	0.479999999999999982	1.85000000000000009	0.839999999999999969	2.10999999999999988	1.78000000000000003	-3.43000000000000016	0.225000000000000006	0.000371999999999999989	Soluble	-3.20999999999999996	0.376000000000000001	0.000621000000000000024	Soluble	-2.35999999999999988	2.66000000000000014	0.00440999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-9.65000000000000036	2	3	1	1	3	0.170000000000000012
793	458.54000000000002	C26H34O7	\N	\N	1	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1c1ccc(=O)oc1)C)OC(=O)C	33	6	0.729999999999999982	4	7	2	120.989999999999995	114.040000000000006	2.58999999999999986	1.78000000000000003	3.10999999999999988	2.20000000000000018	3.66000000000000014	2.66999999999999993	-3.66999999999999993	0.0969	0.000211000000000000006	Soluble	-3.79000000000000004	0.0738000000000000045	0.00016100000000000001	Soluble	-4.80999999999999961	0.0070699999999999999	1.54000000000000016e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	Yes	-7.83000000000000007	0	0	0	0	0	0.550000000000000044
799	604.690000000000055	C32H44O11	\N	\N	1	O=C[C@@]12CC[C@@H](C[C@]2(CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1c1ccc(=O)oc1)C)OC(=O)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	43	6	0.780000000000000027	6	11	4	152.210000000000008	172.960000000000008	3	0.110000000000000001	1.95999999999999996	0.67000000000000004	2.16999999999999993	1.58000000000000007	-3.37000000000000011	0.26100000000000001	0.000431000000000000014	Soluble	-3.29999999999999982	0.304999999999999993	0.000503999999999999999	Soluble	-3.58999999999999986	0.154999999999999999	0.000255999999999999988	Soluble	Low	No	Yes	No	No	No	Yes	Yes	-9.91000000000000014	2	3	1	1	3	0.170000000000000012
809	530.610000000000014	C29H38O9	\N	\N	1	O=C[C@]12C[C@H]3O[C@@]4(O)C(=O)C[C@H](O[C@H]4O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	38	0	0.82999999999999996	2	9	2	133.060000000000002	128.590000000000003	3.18999999999999995	0.939999999999999947	2.20999999999999996	1.39999999999999991	2.45999999999999996	2.04000000000000004	-3.58999999999999986	0.13600000000000001	0.000257000000000000013	Soluble	-3.22999999999999998	0.315000000000000002	0.000592999999999999994	Soluble	-3.04000000000000004	0.47799999999999998	0.000902000000000000024	Soluble	High	No	Yes	No	No	No	No	No	-8.86999999999999922	1	3	0	0	0	0.550000000000000044
816	448.639999999999986	C27H44O5	\N	\N	1	C[C@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@]3([C@]([C@H]1CC2)(C)[C@H](O)C[C@@H](C3)O)O)C	32	0	1	0	5	3	124.430000000000007	79.1500000000000057	3.9700000000000002	4.08999999999999986	3.87999999999999989	3.39999999999999991	2.89999999999999991	3.64999999999999991	-5.20000000000000018	0.00284000000000000008	6.34000000000000028e-06	Moderately soluble	-5.45999999999999996	0.00155999999999999997	3.49000000000000004e-06	Moderately soluble	-3.31999999999999984	0.215999999999999998	0.000482000000000000007	Soluble	High	No	Yes	No	No	No	No	No	-6.12999999999999989	0	1	0	0	0	0.550000000000000044
832	1049.20000000000005	C51H84O22	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@](O4)(O)CC[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	73	0	0.959999999999999964	14	22	13	252.159999999999997	346.060000000000002	4.63999999999999968	-1.25	-1.97999999999999998	-3.68000000000000016	-3.0299999999999998	-1.06000000000000005	-4.62999999999999989	0.0244000000000000015	2.33000000000000005e-05	Moderately soluble	-5.51999999999999957	0.00316000000000000005	3.00999999999999998e-06	Moderately soluble	2.25999999999999979	189000	180	Soluble	Low	No	Yes	No	No	No	No	No	-13.5899999999999999	3	4	2	1	5	0.170000000000000012
841	580.75	C32H52O9	\N	\N	1	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@H]3[C@]([C@H]1CC2)(C)[C@H](O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)[C@@H]([C@H](C3)O)O)C	41	0	1	2	9	5	150.810000000000002	138.069999999999993	3.91000000000000014	3.00999999999999979	2.20000000000000018	1.59000000000000008	0.859999999999999987	2.31000000000000005	-5.20000000000000018	0.00361999999999999995	6.2400000000000004e-06	Moderately soluble	-5.57000000000000028	0.00154999999999999995	2.66999999999999985e-06	Moderately soluble	-1.51000000000000001	17.8999999999999986	0.030800000000000001	Soluble	High	No	Yes	No	No	No	No	No	-7.70999999999999996	1	3	0	1	0	0.550000000000000044
852	1049.20000000000005	C54H80O20	\N	\N	1	OC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC[C@H]([C@@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@H]3O[C@]43[C@@]2(C)C[C@@H]([C@@]2([C@H]4C[C@@](C)(C=O)[C@H](C2)OC(=O)c2ccccc2)C)O)C)C)[C@H]([C@H]([C@@H]1O)O)O	74	6	0.849999999999999978	12	20	10	257.70999999999998	313.579999999999984	4.21999999999999975	1.95999999999999996	0.479999999999999982	-1.90999999999999992	0.46000000000000002	1.04000000000000004	-6.84999999999999964	0.00014899999999999999	1.42000000000000001e-07	Poorly soluble	-8.16999999999999993	7.08999999999999988e-06	6.75999999999999982e-09	Poorly soluble	-2.29999999999999982	5.30999999999999961	0.00506000000000000026	Soluble	Low	No	Yes	No	No	No	No	No	-11.3100000000000005	3	3	2	1	5	0.170000000000000012
863	869.039999999999964	C45H72O16	\N	\N	1	O[C@H]1[C@@H](O)CO[C@H]([C@@H]1O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@H]([C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)O)C)C	61	0	0.930000000000000049	7	16	9	217.060000000000002	254.52000000000001	4.21999999999999975	2.29999999999999982	1.59000000000000008	-0.429999999999999993	0.119999999999999996	1.56000000000000005	-6.21999999999999975	0.000529999999999999981	6.09000000000000014e-07	Poorly soluble	-7.28000000000000025	4.53000000000000033e-05	5.21000000000000033e-08	Poorly soluble	-1.12999999999999989	65	0.0748000000000000054	Soluble	Low	No	Yes	No	No	No	No	No	-9.97000000000000064	3	3	1	1	5	0.110000000000000001
872	470.680000000000007	C30H46O4	\N	\N	1	O=C[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C	34	0	0.869999999999999996	2	4	2	136.849999999999994	74.5999999999999943	3.29000000000000004	6.67999999999999972	6.41000000000000014	4.87000000000000011	5.54999999999999982	5.36000000000000032	-6.83000000000000007	6.88999999999999942e-05	1.4600000000000001e-07	Poorly soluble	-8.05000000000000071	4.1999999999999996e-06	8.9199999999999998e-09	Poorly soluble	-5.66999999999999993	0.00101000000000000005	2.15000000000000017e-06	Moderately soluble	High	No	Yes	No	No	No	No	No	-4.42999999999999972	1	3	0	1	1	0.560000000000000053
881	1031.18000000000006	C51H82O21	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2[C@H](O)CO[C@@H]([C@@H]2O)O[C@H]2[C@@H](OC[C@H]([C@H]2O)O)O[C@H]2[C@@H](OC[C@@H]([C@H]2O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	72	0	0.939999999999999947	10	21	12	249.439999999999998	333.670000000000016	3.74000000000000021	0.699999999999999956	-0.57999999999999996	-2.66999999999999993	-1.95999999999999996	-0.160000000000000003	-6.00999999999999979	0.000997999999999999972	9.68000000000000092e-07	Poorly soluble	-7.28000000000000025	5.34999999999999994e-05	5.19000000000000015e-08	Poorly soluble	0.760000000000000009	5990	5.80999999999999961	Soluble	Low	No	Yes	No	No	No	No	No	-12.0899999999999999	3	4	1	1	5	0.110000000000000001
892	484.670000000000016	C30H44O5	\N	\N	1	O[C@@H]1C=C2[C@@H]3CC(C)(C)C(=O)C[C@@]3(CC[C@]2([C@]2([C@H]1[C@@]1(C)CCC(=O)C([C@@H]1CC2)(C)C)C)C)C(=O)O	35	0	0.82999999999999996	1	5	2	137.050000000000011	91.6700000000000017	2.79000000000000004	4.40000000000000036	5.58999999999999986	3.95000000000000018	5.25	4.40000000000000036	-5.54999999999999982	0.0013600000000000001	2.8100000000000002e-06	Moderately soluble	-6.04000000000000004	0.000440000000000000016	9.08000000000000031e-07	Poorly soluble	-5.87000000000000011	0.000653999999999999959	1.34999999999999999e-06	Moderately soluble	High	No	Yes	No	No	No	No	No	-6.12999999999999989	0	3	0	0	0	0.560000000000000053
900	458.720000000000027	C30H50O3	\N	\N	1	OC[C@@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C[C@H]1O)(C)C)C)C)C	33	0	0.930000000000000049	1	3	3	137.210000000000008	60.6899999999999977	4.13999999999999968	6.95999999999999996	6.11000000000000032	5.12000000000000011	5.41000000000000014	5.54999999999999982	-7	4.55999999999999971e-05	9.92999999999999958e-08	Poorly soluble	-8.05000000000000071	4.10999999999999961e-06	8.95000000000000073e-09	Poorly soluble	-5.76999999999999957	0.000778999999999999962	1.70000000000000003e-06	Moderately soluble	High	No	No	No	No	No	No	No	-4.16000000000000014	1	3	0	1	1	0.550000000000000044
2920	598.083099999999945	C26H28ClNO. C6H8O7	Antineoplastic, Antiestrogen	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
907	456.699999999999989	C30H48O3	\N	\N	1	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O	33	0	0.900000000000000022	1	3	2	136.909999999999997	57.5300000000000011	3.95000000000000018	7.33999999999999986	7.08999999999999986	5.82000000000000028	5.45999999999999996	5.92999999999999972	-7.23000000000000043	2.68999999999999999e-05	5.8899999999999998e-08	Poorly soluble	-8.38000000000000078	1.91999999999999983e-06	4.21000000000000014e-09	Poorly soluble	-5.66999999999999993	0.000971999999999999991	2.12999999999999994e-06	Moderately soluble	Low	No	No	No	No	No	No	No	-3.87000000000000011	1	3	0	1	1	0.560000000000000053
914	354.310000000000002	C16H18O9	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)C	25	10	0.440000000000000002	2	9	6	84.1200000000000045	160.819999999999993	1.98999999999999999	-0.699999999999999956	-1.30000000000000004	-2.45000000000000018	-0.23000000000000001	-0.540000000000000036	-1.76000000000000001	6.16000000000000014	0.0173999999999999988	Very soluble	-2.20000000000000018	2.22999999999999998	0.00627999999999999999	Soluble	-0.890000000000000013	45.8999999999999986	0.129000000000000004	Soluble	Low	No	No	No	No	No	No	No	-8.96000000000000085	1	1	1	1	2	0.550000000000000044
921	206.189999999999998	C11H10O4	\N	\N	1	CCc1coc2c(c1=O)c(O)cc(c2)O	15	10	0.179999999999999993	1	4	2	56.2999999999999972	70.6700000000000017	2.06000000000000005	2.18999999999999995	1.77000000000000002	0.239999999999999991	2.25999999999999979	1.69999999999999996	-2.93000000000000016	0.244999999999999996	0.00119000000000000009	Soluble	-3.31000000000000005	0.101000000000000006	0.000492000000000000033	Soluble	-3.25999999999999979	0.114000000000000004	0.000550999999999999949	Soluble	High	Yes	No	Yes	No	No	No	No	-6	0	0	0	0	0	0.550000000000000044
927	322.399999999999977	C20H22N2O2	\N	\N	1	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2C[C@H]1/C(=C/C)/CN2CC4)cccc3	24	6	0.450000000000000011	2	3	1	99.9099999999999966	41.5700000000000003	3.14999999999999991	2.37999999999999989	1.87999999999999989	2.81999999999999984	2.79000000000000004	2.60000000000000009	-3.39000000000000012	0.131000000000000005	0.000406000000000000002	Soluble	-2.89000000000000012	0.411999999999999977	0.0012800000000000001	Soluble	-4.51999999999999957	0.0098300000000000002	3.04999999999999994e-05	Moderately soluble	High	Yes	Yes	No	Yes	No	Yes	Yes	-6.58000000000000007	0	0	0	0	0	0.550000000000000044
935	382.449999999999989	C22H26N2O4	\N	\N	1	COc1ccc2c(c1)c1CCN3[C@H](c1[nH]2)C[C@H]1[C@@H](C3)[C@H](C)OC=C1C(=O)OC	28	9	0.5	3	5	1	109.959999999999994	63.7899999999999991	3.29000000000000004	2.7200000000000002	2.47999999999999998	1.80000000000000004	2.83000000000000007	2.62999999999999989	-3.95999999999999996	0.0415000000000000022	0.000107999999999999996	Soluble	-3.70999999999999996	0.0739999999999999963	0.000193000000000000002	Soluble	-4.49000000000000021	0.0125000000000000007	3.2700000000000002e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-6.70000000000000018	0	0	0	0	0	0.560000000000000053
942	324.370000000000005	C20H20O4	\N	\N	1	Cc1cc(=O)c2c(o1)c1C=CC(Oc1c1c2OC(C)(C)C=C1)(C)C	24	10	0.349999999999999978	0	4	0	95.6899999999999977	48.6700000000000017	3.60000000000000009	3.75999999999999979	4.25	2.33999999999999986	4.73000000000000043	3.74000000000000021	-4.53000000000000025	0.00961000000000000049	2.96000000000000012e-05	Moderately soluble	-4.48000000000000043	0.0109	3.35000000000000011e-05	Moderately soluble	-5.70999999999999996	0.000638000000000000004	1.9700000000000002e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.61000000000000032	0	0	0	0	0	0.550000000000000044
950	388.410000000000025	C21H24O7	\N	\N	1	CC(=O)O[C@@H]1[C@H]2/C(=C\\O[C@@H]3OC(=O)C(=C3)C)/C(=O)O[C@H]2C2=C1CCCC2(C)C	28	0	0.569999999999999951	4	7	0	97.8599999999999994	88.1299999999999955	2.58000000000000007	2.20999999999999996	2.70999999999999996	2.35999999999999988	2.81000000000000005	2.5299999999999998	-3.37999999999999989	0.163000000000000006	0.000420000000000000017	Soluble	-3.70000000000000018	0.0783999999999999975	0.000202000000000000004	Soluble	-3.02000000000000002	0.367999999999999994	0.000946000000000000009	Soluble	High	No	No	No	No	Yes	No	No	-7.09999999999999964	0	0	0	0	0	0.560000000000000053
965	434.519999999999982	C24H34O7	\N	\N	1	CC(=O)OC[C@@]12[C@@H](OC(=O)C)C[C@H]([C@]([C@H]1CCC[C@@]12CO1)(C)[C@H]1O[C@H]2[C@@H](C1)C=CO2)C	31	0	0.82999999999999996	6	7	0	111.780000000000001	83.5900000000000034	2.87999999999999989	3.14000000000000012	3.35999999999999988	2.45000000000000018	3.20999999999999996	3.00999999999999979	-4.12000000000000011	0.0332000000000000003	7.65000000000000028e-05	Moderately soluble	-4.55999999999999961	0.0117999999999999997	2.72000000000000005e-05	Moderately soluble	-3.14999999999999991	0.309999999999999998	0.000712999999999999984	Soluble	High	No	No	No	No	No	No	No	-6.71999999999999975	0	0	0	0	0	0.550000000000000044
971	265.350000000000023	C17H19N3	\N	\N	1	CN1CCC[C@H]1c1cnc(c2c1c1ccccc1[nH]2)C	20	13	0.349999999999999978	1	2	1	87.4599999999999937	31.9200000000000017	2.4700000000000002	3.08000000000000007	3.08999999999999986	2.31000000000000005	3.89000000000000012	2.9700000000000002	-3.83999999999999986	0.0383000000000000007	0.000144000000000000004	Soluble	-3.41999999999999993	0.101000000000000006	0.000382000000000000015	Soluble	-5.58000000000000007	0.000701000000000000017	2.64000000000000013e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-5.73000000000000043	0	0	0	0	0	0.550000000000000044
979	290.480000000000018	C20H34O	\N	\N	1	OC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C)\\C	21	0	0.599999999999999978	10	1	1	97.519999999999996	20.2300000000000004	4.57000000000000028	7.26999999999999957	6.12000000000000011	4.95000000000000018	6.08000000000000007	5.79999999999999982	-5.55999999999999961	0.00079799999999999999	2.74999999999999993e-06	Moderately soluble	-7.51999999999999957	8.77000000000000074e-06	3.01999999999999991e-08	Poorly soluble	-4.42999999999999972	0.0108000000000000006	3.72999999999999986e-05	Moderately soluble	High	No	No	Yes	No	Yes	No	No	-2.91000000000000014	1	1	0	1	2	0.550000000000000044
986	412.519999999999982	C22H36O7	\N	\N	1	CC(=O)O[C@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H]([C@]3(C)O)C[C@@H](C1(C)C)O)O)C[C@@]2(C)O	29	0	0.949999999999999956	2	7	5	106.099999999999994	127.450000000000003	2.66000000000000014	0.839999999999999969	0.739999999999999991	1.01000000000000001	1.04000000000000004	1.26000000000000001	-2.79000000000000004	0.662000000000000033	0.00160000000000000008	Soluble	-3.10000000000000009	0.328000000000000014	0.00079600000000000005	Soluble	-1.54000000000000004	12	0.0290000000000000015	Soluble	High	No	Yes	No	No	No	No	No	-8.22000000000000064	0	0	0	0	0	0.550000000000000044
994	348.430000000000007	C20H28O5	\N	\N	1	OCC1=C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]3([C@@]([C@@H]1O)(O)[C@@H](O)C(=C3)C)C2=O)C	25	0	0.75	1	5	4	93.2199999999999989	97.9899999999999949	2.31999999999999984	0.209999999999999992	0.819999999999999951	1.16999999999999993	1.35000000000000009	1.16999999999999993	-2.06999999999999984	2.99000000000000021	0.00858000000000000082	Soluble	-1.83000000000000007	5.19000000000000039	0.0149	Very soluble	-1.62999999999999989	8.22000000000000064	0.0235999999999999995	Soluble	High	No	Yes	No	No	No	No	No	-8.27999999999999936	0	0	0	0	0	0.550000000000000044
1001	314.420000000000016	C20H26O3	\N	\N	1	C[C@H]1C=C2[C@H](C1)C(=O)[C@]1(C)C(=O)CC([C@H]1CC(=O)C(=C2)C)(C)C	23	0	0.650000000000000022	0	3	0	91.0400000000000063	51.2100000000000009	2.31999999999999984	2.95000000000000018	3.68000000000000016	2.66999999999999993	4.04000000000000004	3.12999999999999989	-3.64999999999999991	0.070699999999999999	0.000224999999999999994	Soluble	-3.68999999999999995	0.0645000000000000018	0.000204999999999999996	Soluble	-4.41999999999999993	0.0120000000000000002	3.83000000000000026e-05	Moderately soluble	High	Yes	No	No	No	No	No	No	-6.12000000000000011	0	0	0	0	0	0.550000000000000044
1010	332.430000000000007	C20H28O4	\N	\N	1	C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@]([C@@]1(O)CCc1cocc1)(C)CCC3)C	24	5	0.75	3	4	1	91.4000000000000057	59.6700000000000017	3.16999999999999993	3.72999999999999998	3.7200000000000002	2.75999999999999979	3.95999999999999996	3.4700000000000002	-4.20999999999999996	0.0206000000000000003	6.21000000000000051e-05	Moderately soluble	-4.66999999999999993	0.00702999999999999979	2.11000000000000013e-05	Moderately soluble	-4.92999999999999972	0.00389999999999999982	1.16999999999999998e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-5.67999999999999972	0	0	0	0	0	0.550000000000000044
1017	352.509999999999991	C21H36O4	\N	\N	1	OC/C=C/1\\CC[C@H]([C@](OC1)(C)CCC[C@H](C(=O)/C=C(/C(C)C)\\C)C)O	25	0	0.760000000000000009	8	4	2	103.650000000000006	66.7600000000000051	3.79999999999999982	2.85999999999999988	3.81000000000000005	2.2200000000000002	4.75	3.49000000000000021	-3.29999999999999982	0.176999999999999991	0.000501999999999999951	Soluble	-3.91999999999999993	0.0422999999999999973	0.000120000000000000003	Soluble	-3.58000000000000007	0.0936000000000000026	0.00026499999999999999	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.41999999999999993	0	0	0	0	0	0.550000000000000044
1024	296.410000000000025	C19H24N2O	\N	\N	1	CC[C@@]12CCCN3[C@H]2c2n([C@@H](C1)O)c1c(c2CC3)cccc1	22	9	0.57999999999999996	1	2	1	92.9599999999999937	28.3999999999999986	2.91999999999999993	2.95000000000000018	2.60000000000000009	3.12000000000000011	2.68000000000000016	2.85000000000000009	-3.77000000000000002	0.0500000000000000028	0.000168999999999999988	Soluble	-3.20999999999999996	0.182999999999999996	0.000617999999999999951	Soluble	-4.01999999999999957	0.0282999999999999988	9.55000000000000038e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.00999999999999979	0	0	0	0	0	0.550000000000000044
1031	246.310000000000002	C17H14N2	\N	\N	1	Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C	19	17	0.119999999999999996	0	1	1	81.0400000000000063	28.6799999999999997	2.29999999999999982	4.79999999999999982	4.49000000000000021	3	5.00999999999999979	3.91999999999999993	-5.04999999999999982	0.00218000000000000008	8.84999999999999997e-06	Moderately soluble	-5.12999999999999989	0.00180999999999999998	7.34000000000000003e-06	Moderately soluble	-7.04000000000000004	2.2399999999999999e-05	9.08000000000000057e-08	Poorly soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-4.38999999999999968	0	0	0	0	0	0.550000000000000044
1039	316.430000000000007	C20H28O3	\N	\N	1	OC(=O)[C@@]12CCCC([C@@H]2CCc2c1cc(O)c(c2)C(C)C)(C)C	23	6	0.650000000000000022	2	3	2	93.4099999999999966	57.5300000000000011	2.89999999999999991	5.25	4.61000000000000032	3.83999999999999986	4.42999999999999972	4.20999999999999996	-5.16999999999999993	0.00213999999999999998	6.74999999999999975e-06	Moderately soluble	-6.20999999999999996	0.000195999999999999994	6.20999999999999962e-07	Poorly soluble	-4.74000000000000021	0.00576999999999999996	1.81999999999999985e-05	Moderately soluble	High	Yes	No	No	No	Yes	No	No	-4.5	0	0	0	0	1	0.560000000000000053
1046	394.370000000000005	C19H22O9	\N	\N	1	OC[C@]([C@H]1OC(=O)C=C2[C@]31O[C@@H]3[C@H]1OC(=O)[C@@]3([C@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O)C)(O)C	28	0	0.790000000000000036	2	9	3	88.0699999999999932	138.349999999999994	2.2200000000000002	-2.12999999999999989	-1.57000000000000006	-0.619999999999999996	0.369999999999999996	-0.349999999999999978	-0.810000000000000053	60.8999999999999986	0.153999999999999998	Very soluble	-0.25	224	0.566999999999999948	Very soluble	-0.400000000000000022	156	0.394000000000000017	Soluble	Low	No	Yes	No	No	No	No	No	-10.2200000000000006	0	1	0	1	1	0.550000000000000044
2921	356.254799999999989	C16H21NO3. HBr	Mydriatic, Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2922	\N	\N	Crude drug	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
1054	454.550000000000011	C24H38O8	\N	\N	1	CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2OC(=O)C)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O	32	0	0.92000000000000004	4	8	4	115.840000000000003	133.52000000000001	3.33999999999999986	1.41999999999999993	1.31000000000000005	1.35000000000000009	1.55000000000000004	1.80000000000000004	-3.29000000000000004	0.234000000000000014	0.000514000000000000025	Soluble	-3.83000000000000007	0.0674000000000000016	0.000147999999999999992	Soluble	-2.14999999999999991	3.22999999999999998	0.00710000000000000041	Soluble	High	No	Yes	No	No	No	No	No	-8.0600000000000005	0	0	0	1	0	0.550000000000000044
1063	346.370000000000005	C19H22O6	\N	\N	1	O=C1O[C@H]2[C@@H](/C/1=C\\O[C@@H]1OC(=O)C(=C1)C)CC1=C2C(C)(C)CC[C@@H]1O	25	0	0.57999999999999996	2	6	1	88.1299999999999955	82.0600000000000023	2.89000000000000012	1.26000000000000001	2.14000000000000012	1.97999999999999998	2.33000000000000007	2.12000000000000011	-2.64999999999999991	0.777000000000000024	0.0022399999999999998	Soluble	-2.58000000000000007	0.907000000000000028	0.00261999999999999993	Soluble	-2.39999999999999991	1.37000000000000011	0.00393999999999999993	Soluble	High	No	No	No	No	No	No	No	-7.51999999999999957	0	0	0	0	0	0.560000000000000053
1070	376.399999999999977	C20H24O7	\N	\N	1	O=C1OCC2=C1[C@@H](O)C[C@]1([C@H]2C[C@H]2[C@@]3([C@@]41O[C@H]4[C@@H]1O[C@@]1([C@H]3O)C(C)C)O2)C	27	0	0.849999999999999978	1	7	2	89.7000000000000028	104.349999999999994	2.70000000000000018	-0.890000000000000013	0.0700000000000000067	0.46000000000000002	2.14999999999999991	0.900000000000000022	-1.55000000000000004	10.6999999999999993	0.0284000000000000016	Very soluble	-0.819999999999999951	57.1000000000000014	0.151999999999999996	Very soluble	-1.68999999999999995	7.70000000000000018	0.0205000000000000009	Soluble	High	No	Yes	No	No	No	No	No	-9.23000000000000043	0	0	0	0	0	0.550000000000000044
1076	182.219999999999999	C12H10N2	\N	\N	1	Cc1nccc2c1[nH]c1c2cccc1	14	13	0.0800000000000000017	0	1	1	58.5700000000000003	28.6799999999999997	1.75	3.2799999999999998	3.02000000000000002	1.89999999999999991	3.5299999999999998	2.70000000000000018	-3.7200000000000002	0.0345000000000000029	0.000189000000000000013	Soluble	-3.56000000000000005	0.0505000000000000032	0.000277000000000000011	Soluble	-4.96999999999999975	0.0019400000000000001	1.06000000000000002e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	No	Yes	-5.08000000000000007	0	0	0	0	1	0.550000000000000044
1084	287.350000000000023	C17H21NO3	\N	\N	1	COc1cc(ccc1OC)[C@@]12CCN([C@H]2CC(=O)C=C1)C	21	6	0.469999999999999973	3	4	0	85.0400000000000063	38.7700000000000031	2.83999999999999986	2.18000000000000016	1.79000000000000004	1.65999999999999992	2.62000000000000011	2.2200000000000002	-3.00999999999999979	0.281999999999999973	0.000981000000000000101	Soluble	-2.62999999999999989	0.677000000000000046	0.00236000000000000012	Soluble	-3.77000000000000002	0.0490000000000000019	0.000171000000000000009	Soluble	High	Yes	No	No	No	No	Yes	No	-6.50999999999999979	0	0	0	0	0	0.550000000000000044
1091	690.919999999999959	C44H50N8	\N	\N	1	CN1CC[C@]2([C@@H]1Nc1c2cccc1[C@@]12CCN([C@H]1Nc1c2cccc1)C)[C@]12CCN([C@H]1Nc1c2cccc1[C@@]12CCN([C@@H]1Nc1c2cccc1)C)C	52	24	0.450000000000000011	3	4	4	236.120000000000005	61.0799999999999983	4.37000000000000011	7.54999999999999982	1.96999999999999997	5.29000000000000004	4.17999999999999972	4.66999999999999993	-9.01999999999999957	6.54000000000000006e-07	9.46999999999999935e-10	Poorly soluble	-8.66999999999999993	1.48000000000000002e-06	2.14999999999999981e-09	Poorly soluble	-12.0600000000000005	6.02999999999999986e-10	8.73000000000000016e-13	Insoluble	High	Yes	Yes	No	No	No	No	Yes	-5.15000000000000036	2	3	0	0	3	0.170000000000000012
1100	354.439999999999998	C21H26N2O3	\N	\N	1	COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3	26	9	0.569999999999999951	3	4	1	103.739999999999995	54.7000000000000028	2.81000000000000005	2.85999999999999988	2.14000000000000012	2.62000000000000011	2.60000000000000009	2.60999999999999988	-3.89999999999999991	0.0449000000000000024	0.000126999999999999997	Soluble	-3.66999999999999993	0.0762000000000000038	0.000214999999999999995	Soluble	-4.28000000000000025	0.0184999999999999991	5.22000000000000017e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.42999999999999972	0	0	0	0	0	0.550000000000000044
1107	402.389999999999986	C21H22O8	\N	\N	1	CC(=O)O[C@@H]1c2c(ccc3c2oc(=O)cc3)OC([C@@H]1OC(=O)[C@@]1(C)O[C@@H]1C)(C)C	29	10	0.479999999999999982	5	8	0	101.519999999999996	104.569999999999993	3.12999999999999989	2.25999999999999979	2.33000000000000007	1.51000000000000001	3.50999999999999979	2.54999999999999982	-3.68000000000000016	0.083299999999999999	0.00020699999999999999	Soluble	-4.08999999999999986	0.0325000000000000011	8.07999999999999989e-05	Moderately soluble	-4.99000000000000021	0.00408000000000000029	1.00999999999999999e-05	Moderately soluble	High	No	No	No	No	No	No	Yes	-7.15000000000000036	0	0	0	0	0	0.550000000000000044
1115	386.399999999999977	C21H22O7	\N	\N	1	CC(=O)O[C@@H]1[C@H](OC(=O)C=C(C)C)c2c(OC1(C)C)ccc1c2oc(=O)cc1	28	10	0.380000000000000004	5	7	0	102.030000000000001	92.0400000000000063	3.60000000000000009	3.39999999999999991	3.12000000000000011	2.2200000000000002	3.66999999999999993	3.20000000000000018	-4.30999999999999961	0.0188000000000000007	4.88000000000000003e-05	Moderately soluble	-5.00999999999999979	0.00375999999999999989	9.72000000000000011e-06	Moderately soluble	-5.04999999999999982	0.00346999999999999999	8.97000000000000052e-06	Moderately soluble	High	No	No	No	Yes	Yes	No	Yes	-6.24000000000000021	0	0	0	0	0	0.550000000000000044
1122	288.25	C15H12O6	\N	\N	1	COc1cc2oc(=O)ccc2cc1[C@@H]1OC(=O)[C@@]2([C@H]1O2)C	21	10	0.330000000000000016	2	6	0	71.3499999999999943	78.269999999999996	2.35000000000000009	1.32000000000000006	1.22999999999999998	0.939999999999999947	2.87000000000000011	1.73999999999999999	-2.68000000000000016	0.60299999999999998	0.00208999999999999984	Soluble	-2.56000000000000005	0.785000000000000031	0.0027200000000000002	Soluble	-4.12000000000000011	0.0218999999999999993	7.59000000000000018e-05	Moderately soluble	High	No	No	No	No	No	No	No	-7.12000000000000011	0	0	0	0	0	0.550000000000000044
1130	246.219999999999999	C13H10O5	\N	\N	1	COc1c(OC)c2occc2c2c1ccc(=O)o2	18	13	0.149999999999999994	2	5	0	65.2399999999999949	61.8100000000000023	2.54999999999999982	2.25	2.56000000000000005	0.890000000000000013	2.87999999999999989	2.2200000000000002	-3.18999999999999995	0.160000000000000003	0.000650999999999999994	Soluble	-3.18000000000000016	0.161000000000000004	0.000654999999999999983	Soluble	-4.75999999999999979	0.0042599999999999999	1.73000000000000004e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-6.20000000000000018	0	0	0	0	0	0.550000000000000044
1136	264.319999999999993	C15H20O4	\N	\N	1	C=C1C(=O)O[C@@H]2[C@@H]1C[C@]1(C)[C@@H](O)[C@H]3[C@@H]([C@H]1[C@@H](C2)C)O3	19	0	0.800000000000000044	0	4	1	68.5600000000000023	59.0600000000000023	2.25999999999999979	1.70999999999999996	1.28000000000000003	1.70999999999999996	1.81000000000000005	1.76000000000000001	-2.56000000000000005	0.734999999999999987	0.00277999999999999992	Soluble	-2.56999999999999984	0.717999999999999972	0.0027200000000000002	Soluble	-1.53000000000000003	7.75	0.0292999999999999997	Soluble	High	Yes	Yes	No	No	No	No	No	-6.70000000000000018	0	0	0	0	0	0.550000000000000044
1144	306.350000000000023	C17H22O5	\N	\N	1	CC(=O)O[C@H]1[C@H]2[C@H](OC(=O)[C@H]2C)C[C@H]([C@H]2[C@@]1(C)C(=O)C=C2)C	22	0	0.709999999999999964	2	5	0	79.5300000000000011	69.6700000000000017	2.56999999999999984	1.10000000000000009	1.89999999999999991	2	1.80000000000000004	1.87000000000000011	-2.29999999999999982	1.53000000000000003	0.0050099999999999997	Soluble	-2.16000000000000014	2.14000000000000012	0.00698999999999999969	Soluble	-2.08999999999999986	2.50999999999999979	0.00817999999999999977	Soluble	High	Yes	No	No	No	No	No	No	-7.38999999999999968	0	0	0	0	0	0.550000000000000044
1150	186.159999999999997	C11H6O3	\N	\N	1	O=c1ccc2c(o1)cc1c(c2)cco1	14	13	0	0	3	0	52.259999999999998	43.3500000000000014	2.00999999999999979	1.66999999999999993	2.54000000000000004	1.47999999999999998	2.91000000000000014	2.12000000000000011	-2.72999999999999998	0.343999999999999972	0.00185000000000000008	Soluble	-2.18999999999999995	1.18999999999999995	0.00638999999999999985	Soluble	-4.5	0.00587000000000000022	3.16000000000000024e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-6.25	0	0	0	0	1	0.550000000000000044
1157	236.219999999999999	C12H12O5	\N	\N	1	COc1cc2oc(=O)ccc2c(c1OC)OC	17	10	0.25	3	5	0	61.9600000000000009	57.8999999999999986	2.56999999999999984	1.82000000000000006	1.82000000000000006	0.770000000000000018	2.45000000000000018	1.87999999999999989	-2.68999999999999995	0.483999999999999986	0.00205000000000000017	Soluble	-2.66000000000000014	0.52200000000000002	0.00221000000000000016	Soluble	-4	0.0235000000000000001	9.95000000000000062e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-6.45000000000000018	0	0	0	0	0	0.550000000000000044
1164	274.269999999999982	C15H14O5	\N	\N	1	Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2C[C@@H]1O)O	20	12	0.200000000000000011	1	5	4	72.3100000000000023	90.1500000000000057	1.43999999999999995	0.719999999999999973	1.52000000000000002	0.790000000000000036	1.46999999999999997	1.18999999999999995	-2.37000000000000011	1.15999999999999992	0.00425000000000000031	Soluble	-2.18999999999999995	1.76000000000000001	0.00642999999999999995	Soluble	-2.7200000000000002	0.519000000000000017	0.00188999999999999997	Soluble	High	No	Yes	No	No	No	No	No	-7.45999999999999996	0	0	0	0	0	0.550000000000000044
1171	505.509999999999991	C25H31NO10	\N	\N	1	C=C[C@H]1[C@@H](OC=C2[C@H]1C[C@H]1N(C2=O)CCc2c1cc(O)c(c2)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	36	6	0.560000000000000053	5	10	5	127.310000000000002	158.379999999999995	2.5299999999999998	-0.140000000000000013	-1	-0.969999999999999973	-0.699999999999999956	-0.0599999999999999978	-2.68000000000000016	1.06000000000000005	0.00208999999999999984	Soluble	-2.72999999999999998	0.937000000000000055	0.00185000000000000008	Soluble	-0.599999999999999978	128	0.253000000000000003	Soluble	Low	No	Yes	No	No	No	No	No	-9.48000000000000043	2	2	1	1	1	0.110000000000000001
1178	262.300000000000011	C15H18O4	\N	\N	1	O[C@H]1C[C@@]2(C)C=CC(=O)C(=C2[C@@H]2[C@@H]1[C@H](C)C(=O)O2)C	19	0	0.599999999999999978	0	4	1	69.3199999999999932	63.6000000000000014	1.89999999999999991	1.1399999999999999	1.3899999999999999	1.53000000000000003	1.73999999999999999	1.54000000000000004	-2.18000000000000016	1.71999999999999997	0.00653999999999999981	Soluble	-2.06999999999999984	2.22999999999999998	0.0085199999999999998	Soluble	-1.87999999999999989	3.43000000000000016	0.0131000000000000005	Soluble	High	Yes	No	No	No	No	No	No	-7.08999999999999986	0	0	0	0	0	0.550000000000000044
1185	344.360000000000014	C19H20O6	\N	\N	1	O=C(C(=C)C)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C	25	0	0.419999999999999984	3	6	0	89.0999999999999943	78.9000000000000057	2.91999999999999993	2.18999999999999995	2.16000000000000014	1.40999999999999992	2.70000000000000018	2.2799999999999998	-3.16000000000000014	0.239999999999999991	0.000697000000000000028	Soluble	-3.47999999999999998	0.114000000000000004	0.000331000000000000023	Soluble	-2.91000000000000014	0.420999999999999985	0.00121999999999999995	Soluble	High	No	No	No	No	No	No	No	-6.84999999999999964	0	0	0	0	0	0.560000000000000053
1193	404.449999999999989	C22H28O7	\N	\N	1	OC/C=C(/C(=O)O[C@@H]1CC(=CC[C@@H](C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)OC(=O)C)C)\\C	29	0	0.5	6	7	1	106.760000000000005	99.1299999999999955	2.7799999999999998	1.84000000000000008	2.54999999999999982	2.08999999999999986	2.64999999999999991	2.37999999999999989	-3.10999999999999988	0.313	0.000774999999999999973	Soluble	-3.54000000000000004	0.116000000000000006	0.000286999999999999983	Soluble	-2.58000000000000007	1.08000000000000007	0.00266000000000000004	Soluble	High	No	No	No	No	No	No	No	-7.45999999999999996	0	0	0	0	0	0.550000000000000044
1200	267.319999999999993	C17H17NO2	\N	\N	1	COc1cc2CCN[C@H]3c2c(c1O)c1ccccc1C3	20	12	0.28999999999999998	1	3	2	82.5900000000000034	41.490000000000002	2.66999999999999993	2.64000000000000012	2.10999999999999988	2.43000000000000016	3.47999999999999998	2.66000000000000014	-3.54000000000000004	0.0772999999999999937	0.000288999999999999977	Soluble	-3.16000000000000014	0.183999999999999997	0.000689000000000000051	Soluble	-5.38999999999999968	0.00109000000000000004	4.06000000000000009e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.05999999999999961	0	0	0	0	0	0.550000000000000044
1206	221.300000000000011	C13H19NO2	\N	\N	1	COc1cc2c(cc1OC)CCN([C@H]2C)C	16	6	0.540000000000000036	2	3	0	68.480000000000004	21.6999999999999993	2.87000000000000011	2.14000000000000012	1.55000000000000004	1.66999999999999993	2.35999999999999988	2.12000000000000011	-2.70999999999999996	0.435999999999999999	0.00196999999999999996	Soluble	-2.22999999999999998	1.31000000000000005	0.00591999999999999992	Soluble	-3.37000000000000011	0.0943999999999999978	0.000427000000000000025	Soluble	High	Yes	No	No	No	No	Yes	No	-6.12999999999999989	0	0	0	0	0	0.550000000000000044
1213	232.319999999999993	C15H20O2	\N	\N	1	CC1=C[C@H]2OC(=O)C(=C)[C@@H]2CCC(=CCC1)C	17	0	0.530000000000000027	0	2	0	69.8499999999999943	26.3000000000000007	2.7200000000000002	2.08999999999999986	3.54999999999999982	3.25999999999999979	3.25	2.9700000000000002	-2.60000000000000009	0.587999999999999967	0.00253000000000000013	Soluble	-2.27000000000000002	1.23999999999999999	0.00534000000000000013	Soluble	-3.04999999999999982	0.205999999999999989	0.000885000000000000044	Soluble	High	Yes	No	No	Yes	Yes	No	No	-6.23000000000000043	0	0	0	0	0	0.550000000000000044
1220	325.360000000000014	C19H19NO4	\N	\N	1	COc1cc2c(cc1O)C[C@H]1c3c2c2OCOc2cc3CCN1C	24	12	0.369999999999999996	1	5	1	93.5499999999999972	51.1599999999999966	3.18000000000000016	2.91999999999999993	2.18000000000000016	2.16000000000000014	3.27000000000000002	2.74000000000000021	-4	0.0325000000000000011	9.97999999999999999e-05	Moderately soluble	-3.66000000000000014	0.0719000000000000056	0.000221000000000000005	Soluble	-4.79000000000000004	0.00525999999999999992	1.62000000000000007e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-6.20999999999999996	0	0	0	0	0	0.550000000000000044
1227	262.300000000000011	C15H18O4	\N	\N	1	O=C1O[C@H]2[C@@H](C1=C)CC=C1[C@]3(C2)CO[C@](O3)(C)CC1	19	0	0.67000000000000004	0	4	0	68.3499999999999943	44.759999999999998	2.62000000000000011	1.28000000000000003	2.10000000000000009	2.02000000000000002	2.62999999999999989	2.12999999999999989	-2.27000000000000002	1.39999999999999991	0.00534000000000000013	Soluble	-1.82000000000000006	3.97999999999999998	0.0152	Very soluble	-2.62999999999999989	0.610999999999999988	0.00233000000000000004	Soluble	High	Yes	No	No	No	No	No	No	-6.99000000000000021	0	0	0	0	0	0.550000000000000044
1235	230.300000000000011	C15H18O2	\N	\N	1	C=C1C(=O)O[C@H]2[C@H]1CC=C([C@H]1[C@@H]2C(=C)CC1)C	17	0	0.530000000000000027	0	2	0	67.7399999999999949	26.3000000000000007	2.68000000000000016	2.56999999999999984	3.02000000000000002	3.25999999999999979	3.12999999999999989	2.93000000000000016	-2.89000000000000012	0.298999999999999988	0.00129999999999999994	Soluble	-2.77000000000000002	0.391000000000000014	0.00169999999999999991	Soluble	-2.83000000000000007	0.338000000000000023	0.00146999999999999995	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.87999999999999989	0	0	0	0	0	0.550000000000000044
1243	412.860000000000014	C20H25ClO7	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1C[C@](O)(CCl)[C@H]2[C@]([C@@H]3[C@@H]1C(=C)C(=O)O3)(O)C(=C[C@H]2O)C)/C	28	0	0.599999999999999978	4	7	3	101.420000000000002	113.290000000000006	2.60999999999999988	0.849999999999999978	1	1.21999999999999997	1.8899999999999999	1.52000000000000002	-2.66999999999999993	0.880000000000000004	0.00212999999999999995	Soluble	-2.81000000000000005	0.63600000000000001	0.00153999999999999992	Soluble	-1.94999999999999996	4.67999999999999972	0.0112999999999999993	Soluble	High	No	Yes	No	No	No	No	Yes	-8.21000000000000085	0	0	0	0	0	0.550000000000000044
1250	331.410000000000025	C19H25NO4	\N	\N	1	CO[C@@H]1C[C@]23N(CCC2=C[C@@H]1O)CCc1c3cc(OC)c(c1)OC	24	6	0.57999999999999996	3	5	1	94.75	51.1599999999999966	3.14000000000000012	1.19999999999999996	1.37999999999999989	1.37999999999999989	2.20999999999999996	1.8600000000000001	-2.64000000000000012	0.763000000000000012	0.00229999999999999996	Soluble	-1.87000000000000011	4.45999999999999996	0.0134999999999999998	Very soluble	-3.56000000000000005	0.0908999999999999947	0.000273999999999999992	Soluble	High	Yes	Yes	No	No	No	Yes	No	-7.46999999999999975	0	0	0	0	0	0.550000000000000044
1257	420.449999999999989	C22H28O8	\N	\N	1	OC/C=C(/C(=O)O[C@@H]1CC(=CC[C@H](C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)OC(=O)C)C)\\CO	30	0	0.5	7	8	2	107.920000000000002	119.359999999999999	2.56999999999999984	0.589999999999999969	1.53000000000000003	1.30000000000000004	2.06000000000000005	1.6100000000000001	-2.35999999999999988	1.85000000000000009	0.00440000000000000027	Soluble	-2.66999999999999993	0.899000000000000021	0.00213999999999999998	Soluble	-2	4.16999999999999993	0.00991000000000000041	Soluble	High	No	No	No	No	No	No	No	-8.44999999999999929	0	0	0	0	0	0.550000000000000044
1265	248.319999999999993	C15H20O3	\N	\N	1	CC1=C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](CC(=CCC1)C)O	18	0	0.530000000000000027	0	3	1	71.019999999999996	46.5300000000000011	2.35999999999999988	1.1100000000000001	2.52000000000000002	2.37999999999999989	2.33999999999999986	2.14000000000000012	-2.08000000000000007	2.06999999999999984	0.00834000000000000019	Soluble	-1.67999999999999994	5.19000000000000039	0.0208999999999999984	Very soluble	-2.25	1.40999999999999992	0.00568000000000000015	Soluble	High	Yes	No	No	No	No	No	No	-7.03000000000000025	0	0	0	0	0	0.550000000000000044
1272	392.399999999999977	C20H24O8	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1C[C@@]2(CO2)[C@H]2[C@]([C@@H]3[C@@H]1C(=C)C(=O)O3)(O)[C@]1([C@@H]([C@H]2O)O1)C)/C	28	0	0.699999999999999956	3	8	2	93.9099999999999966	118.120000000000005	3.25	-0.0400000000000000008	0.0100000000000000002	0.299999999999999989	1.69999999999999996	1.05000000000000004	-2.04999999999999982	3.5	0.00892000000000000084	Soluble	-1.98999999999999999	4.00999999999999979	0.0102000000000000007	Very soluble	-1.27000000000000002	21	0.0536000000000000018	Soluble	High	No	Yes	No	No	No	No	No	-8.72000000000000064	0	0	0	0	0	0.550000000000000044
1279	232.319999999999993	C15H20O2	\N	\N	1	CC1=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC[C@]2(CCC1)C	17	0	0.67000000000000004	0	2	0	67.9500000000000028	26.3000000000000007	2.75999999999999979	3.08999999999999986	3.37999999999999989	3.35000000000000009	3.64999999999999991	3.25	-3.22999999999999998	0.138000000000000012	0.000592999999999999994	Soluble	-3.31000000000000005	0.114000000000000004	0.000489999999999999984	Soluble	-3.5	0.0730999999999999983	0.000315000000000000013	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.51999999999999957	0	0	0	0	0	0.550000000000000044
1287	464.45999999999998	C23H28O10	\N	\N	1	CC(=O)OCC1=C2[C@@H](OC(=O)C(=C)C)C[C@@](C)(OC(=O)C)C(=O)CC[C@@]3([C@@H]([C@H]2OC1=O)O3)C	33	0	0.609999999999999987	8	10	0	111.890000000000001	134.800000000000011	2.7200000000000002	0.510000000000000009	1.48999999999999999	0.780000000000000027	3.0299999999999998	1.70999999999999996	-2.50999999999999979	1.42999999999999994	0.00306999999999999981	Soluble	-2.91000000000000014	0.569999999999999951	0.00122999999999999997	Soluble	-3.43999999999999995	0.170000000000000012	0.000366000000000000006	Soluble	High	No	No	No	No	No	Yes	No	-8.76999999999999957	0	0	0	1	0	0.550000000000000044
1294	264.319999999999993	C15H20O4	\N	\N	1	O[C@H]1C[C@@H](O)[C@]2([C@H](C1=C)C[C@H]1[C@@H](C2)OC(=O)C1=C)C	19	0	0.67000000000000004	0	4	2	70.2800000000000011	66.7600000000000051	1.98999999999999999	0.959999999999999964	1.17999999999999994	1.62000000000000011	1.71999999999999997	1.48999999999999999	-2.08000000000000007	2.18000000000000016	0.00825000000000000039	Soluble	-1.94999999999999996	2.9700000000000002	0.0111999999999999999	Very soluble	-1.68999999999999995	5.45999999999999996	0.0206999999999999997	Soluble	High	Yes	Yes	No	No	No	No	No	-7.23000000000000043	0	0	0	0	0	0.550000000000000044
1302	450.439999999999998	C22H26O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(cc(c2OC)O)[C@@H]2CCc3c(O2)cc(cc3)O)[C@@H]([C@H]([C@@H]1O)O)O	32	12	0.450000000000000011	5	10	6	109.760000000000005	158.300000000000011	2.62999999999999989	0.910000000000000031	0.0299999999999999989	-0.849999999999999978	0.260000000000000009	0.589999999999999969	-3.14999999999999991	0.316000000000000003	0.000702000000000000042	Soluble	-3.81999999999999984	0.0681999999999999967	0.000151000000000000011	Soluble	-1.92999999999999994	5.29999999999999982	0.0117999999999999997	Soluble	Low	No	Yes	No	No	No	No	No	-8.40000000000000036	1	0	1	1	2	0.550000000000000044
1308	232.319999999999993	C15H20O2	\N	\N	1	O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1[C@](C2)(C)CCCC1=C	17	0	0.67000000000000004	0	2	0	67.9500000000000028	26.3000000000000007	2.66000000000000014	3.41999999999999993	3.24000000000000021	3.35000000000000009	3.54000000000000004	3.24000000000000021	-3.43000000000000016	0.0853000000000000008	0.000366999999999999976	Soluble	-3.64999999999999991	0.0517000000000000029	0.000222999999999999999	Soluble	-3.29999999999999982	0.116000000000000006	0.00050000000000000001	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.29000000000000004	0	0	0	0	0	0.550000000000000044
1316	290.350000000000023	C17H22O4	\N	\N	1	CC(=O)O[C@@H]1C=C(C)CCC=C(C[C@H]2[C@H]1C(=C)C(=O)O2)C	21	0	0.530000000000000027	2	4	0	80.75	52.6000000000000014	2.75	2.43999999999999995	3.08999999999999986	2.75	2.77000000000000002	2.75999999999999979	-3.04999999999999982	0.262000000000000011	0.000901	Soluble	-3.18999999999999995	0.188	0.000648999999999999946	Soluble	-2.87999999999999989	0.378000000000000003	0.00129999999999999994	Soluble	High	Yes	No	No	No	Yes	No	No	-6.33999999999999986	0	0	0	0	0	0.550000000000000044
1323	306.350000000000023	C17H22O5	\N	\N	1	CC(=O)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1[C@H](C)C(=O)O3)[C@](C=C2)(C)O)C	22	0	0.650000000000000022	2	5	1	80.3100000000000023	72.8299999999999983	2.12000000000000011	0.989999999999999991	1.75	2	1.60000000000000009	1.68999999999999995	-2.22999999999999998	1.80000000000000004	0.00587000000000000022	Soluble	-2.10999999999999988	2.39000000000000012	0.00779999999999999964	Soluble	-1.82000000000000006	4.58999999999999986	0.0149999999999999994	Soluble	High	Yes	No	No	No	No	No	No	-7.46999999999999975	0	0	0	0	0	0.550000000000000044
1330	264.319999999999993	C15H20O4	\N	\N	1	O=C1O[C@H]2[C@H](C1=C)CC[C@@]1(C)O[C@@H]1CC[C@@]1([C@@H]2O1)C	19	0	0.800000000000000044	0	4	0	68.8199999999999932	51.3599999999999994	2.39000000000000012	1.69999999999999996	1.96999999999999997	1.70999999999999996	2.97999999999999998	2.14999999999999991	-2.54999999999999982	0.744999999999999996	0.00282000000000000002	Soluble	-2.39000000000000012	1.07000000000000006	0.00404000000000000019	Soluble	-2.5299999999999998	0.782000000000000028	0.00295999999999999996	Soluble	High	Yes	No	No	No	No	No	No	-6.70999999999999996	0	0	0	0	0	0.550000000000000044
1337	360.399999999999977	C20H24O6	\N	\N	1	C/C=C(/C(=O)O[C@H]1CC(=CC(=O)C=C([C@@H]([C@@H]2[C@@H]1C(=C)C(=O)O2)O)C)C)\\C	26	0	0.450000000000000011	3	6	1	96.0600000000000023	89.9000000000000057	2.45000000000000018	1.64999999999999991	2.18999999999999995	1.6399999999999999	2.43999999999999995	2.06999999999999984	-2.91999999999999993	0.437	0.00120999999999999992	Soluble	-3.14999999999999991	0.254000000000000004	0.00070600000000000003	Soluble	-2.39999999999999991	1.41999999999999993	0.00393999999999999993	Soluble	High	No	No	No	No	No	No	No	-7.33000000000000007	0	0	0	0	0	0.550000000000000044
2923	1045.68900000000008	C72H116O4	Ophthalmic	C08597	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
1344	366.410000000000025	C19H26O7	\N	\N	1	O=C(C(C)C)O[C@@H]1C[C@@]2(C)O[C@](C[C@@H]2O)(C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O	26	0	0.680000000000000049	3	7	2	92.2099999999999937	102.290000000000006	3.0299999999999998	0.959999999999999964	1.22999999999999998	1.27000000000000002	1.62000000000000011	1.62000000000000011	-2.52000000000000002	1.1100000000000001	0.00303000000000000014	Soluble	-2.70000000000000018	0.73899999999999999	0.00202000000000000009	Soluble	-1.8600000000000001	5.09999999999999964	0.0138999999999999992	Soluble	High	No	Yes	No	No	No	No	No	-7.84999999999999964	0	0	0	0	0	0.550000000000000044
1352	264.319999999999993	C15H20O4	\N	\N	1	O[C@H]1C[C@@]([C@H]2[C@H]1C(=C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C)(C)O	19	0	0.67000000000000004	0	4	2	70.5799999999999983	66.7600000000000051	2.04000000000000004	0.67000000000000004	1.17999999999999994	1.62000000000000011	1.42999999999999994	1.3899999999999999	-1.89999999999999991	3.31999999999999984	0.0126000000000000001	Very soluble	-1.64999999999999991	5.94000000000000039	0.0224999999999999992	Very soluble	-1.43999999999999995	9.66000000000000014	0.0366000000000000006	Soluble	High	Yes	Yes	No	No	No	No	No	-7.44000000000000039	0	0	0	0	0	0.550000000000000044
1359	282.329999999999984	C15H22O5	\N	\N	1	O=C1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3	20	0	0.930000000000000049	0	5	0	70.3799999999999955	53.990000000000002	2.7200000000000002	2.89999999999999991	2.39000000000000012	2.62000000000000011	1.82000000000000006	2.49000000000000021	-3.41999999999999993	0.107999999999999999	0.000382000000000000015	Soluble	-3.68999999999999995	0.057099999999999998	0.000202000000000000004	Soluble	-2.0299999999999998	2.60999999999999988	0.00924999999999999954	Soluble	High	Yes	No	Yes	No	No	No	No	-5.95999999999999996	0	0	0	0	0	0.550000000000000044
1371	311.370000000000005	C19H21NO3	\N	\N	1	COc1cc2CCN([C@@H]3c2c(c1O)c1c(OC)cccc1C3)C	23	12	0.369999999999999996	2	4	1	93.980000000000004	41.9299999999999997	3.14999999999999991	2.60000000000000009	2.45999999999999996	2.31000000000000005	3.43999999999999995	2.79000000000000004	-3.66000000000000014	0.0676999999999999963	0.000216999999999999989	Soluble	-3.12999999999999989	0.231000000000000011	0.000742000000000000038	Soluble	-5.16999999999999993	0.00208999999999999984	6.70000000000000023e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.34999999999999964	0	0	0	0	0	0.550000000000000044
1379	357.439999999999998	C21H27NO4	\N	\N	1	COc1cc(ccc1OC)C[C@@H]1N(C)CCc2c1cc(OC)c(c2)OC	26	12	0.429999999999999993	6	5	0	105.950000000000003	40.1599999999999966	3.79999999999999982	3.66999999999999993	2.79000000000000004	2.20000000000000018	4	3.29000000000000004	-4.30999999999999961	0.0173999999999999988	4.86000000000000022e-05	Moderately soluble	-4.20000000000000018	0.0223999999999999998	6.27000000000000062e-05	Moderately soluble	-6.11000000000000032	0.000277999999999999981	7.78000000000000005e-07	Poorly soluble	High	Yes	No	No	No	No	Yes	Yes	-5.87000000000000011	0	0	0	0	0	0.550000000000000044
1386	290.350000000000023	C17H22O4	\N	\N	1	CC(=O)O[C@@H]1CC(=CCCC(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)C	21	0	0.530000000000000027	2	4	0	80.75	52.6000000000000014	2.41999999999999993	2.43999999999999995	3.08999999999999986	2.75	2.77000000000000002	2.68999999999999995	-3.04999999999999982	0.262000000000000011	0.000901	Soluble	-3.18999999999999995	0.188	0.000648999999999999946	Soluble	-2.87999999999999989	0.378000000000000003	0.00129999999999999994	Soluble	High	Yes	No	No	No	No	No	No	-6.33999999999999986	0	0	0	0	0	0.550000000000000044
1393	335.310000000000002	C19H13NO5	\N	\N	1	O[C@@H]1Cc2cc3OCOc3cc2c2c1c1ccc3c(c1cn2)OCO3	25	16	0.209999999999999992	0	6	1	88.2800000000000011	70.0400000000000063	2.79000000000000004	2.56999999999999984	2.62000000000000011	1.55000000000000004	3.43000000000000016	2.58999999999999986	-4.00999999999999979	0.032599999999999997	9.73999999999999958e-05	Moderately soluble	-3.68999999999999995	0.0685999999999999943	0.000204999999999999996	Soluble	-5.44000000000000039	0.00121999999999999995	3.63999999999999988e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-6.51999999999999957	0	0	0	0	0	0.550000000000000044
1401	362.370000000000005	C19H22O7	\N	\N	1	CC(=C)C(=O)O[C@H]1C[C@]23O[C@@H]3CCC(=C[C@@H]3[C@@H]1C(=C)C(=O)O3)CO[C@H]2O	26	0	0.57999999999999996	3	7	1	89.5100000000000051	94.5900000000000034	2.64999999999999991	0.930000000000000049	1.16999999999999993	1.17999999999999994	1.85000000000000009	1.56000000000000005	-2.4700000000000002	1.20999999999999996	0.00335000000000000011	Soluble	-2.5	1.1399999999999999	0.00314	Soluble	-1.73999999999999999	6.55999999999999961	0.0181000000000000015	Soluble	High	No	No	No	No	No	No	No	-7.84999999999999964	0	0	0	0	0	0.550000000000000044
1408	445.45999999999998	C23H27NO8	\N	\N	1	COc1c(CC(=O)c2ccc(c(c2C(=O)O)OC)OC)c(CCN(C)C)cc2c1OCO2	32	12	0.390000000000000013	10	9	1	115.900000000000006	103.760000000000005	3.27000000000000002	0.469999999999999973	2.66999999999999993	1.05000000000000004	3.7799999999999998	2.25	-2.52000000000000002	1.3600000000000001	0.00305000000000000019	Soluble	-2.2200000000000002	2.70000000000000018	0.00606000000000000028	Soluble	-5.58000000000000007	0.00118000000000000006	2.64000000000000013e-06	Moderately soluble	High	No	Yes	No	No	No	No	Yes	-8.67999999999999972	0	0	0	0	0	0.550000000000000044
1415	608.720000000000027	C37H40N2O6	\N	\N	1	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4O)cc2)C)cc(c1OC)OC)C	45	24	0.349999999999999978	3	8	1	181.599999999999994	72.8599999999999994	4.67999999999999972	6.33999999999999986	5.45000000000000018	3.54999999999999982	5.5	5.09999999999999964	-7.79999999999999982	9.54000000000000014e-06	1.57000000000000016e-08	Poorly soluble	-7.66000000000000014	1.32999999999999997e-05	2.19000000000000009e-08	Poorly soluble	-10.1199999999999992	4.61000000000000025e-08	7.56999999999999945e-11	Insoluble	High	No	No	No	No	No	No	No	-5.50999999999999979	1	3	0	0	2	0.550000000000000044
1422	246.300000000000011	C15H18O3	\N	\N	1	C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC2=C(C(=O)C[C@@H]12)C	18	0	0.599999999999999978	0	3	0	68.4099999999999966	43.3699999999999974	2.24000000000000021	1.82000000000000006	2.41999999999999993	2.37999999999999989	2.93000000000000016	2.35999999999999988	-2.50999999999999979	0.755000000000000004	0.00305999999999999979	Soluble	-2.35000000000000009	1.10000000000000009	0.00446000000000000042	Soluble	-2.93999999999999995	0.282999999999999974	0.00114999999999999998	Soluble	High	Yes	No	No	No	No	No	No	-6.50999999999999979	0	0	0	0	0	0.550000000000000044
1430	422.379999999999995	C20H22O10	\N	\N	1	O[C@H]1Cc2c(O[C@@H]1c1ccc(c(c1)O)O)cc(cc2O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O	30	12	0.400000000000000022	3	10	7	100.489999999999995	169.300000000000011	2.10999999999999988	-1.37999999999999989	-0.67000000000000004	-1.30000000000000004	-0.680000000000000049	-0.380000000000000004	-1.68999999999999995	8.67999999999999972	0.0205000000000000009	Very soluble	-1.66999999999999993	8.9399999999999995	0.0212000000000000001	Very soluble	-0.849999999999999978	59.7999999999999972	0.141999999999999987	Soluble	Low	No	No	No	No	No	No	No	-9.85999999999999943	1	1	1	1	2	0.550000000000000044
1437	236.349999999999994	C15H24O2	\N	\N	1	CC(=C)[C@@H]1CC=C2[C@@](C1)(C)[C@H](C)[C@@H](C[C@H]2O)O	17	0	0.729999999999999982	1	2	2	71.1099999999999994	40.4600000000000009	2.95999999999999996	2.79000000000000004	2.66999999999999993	2.62999999999999989	2.33000000000000007	2.66999999999999993	-3	0.237999999999999989	0.00101000000000000005	Soluble	-3.29999999999999982	0.119999999999999996	0.000506000000000000048	Soluble	-1.93999999999999995	2.7200000000000002	0.0114999999999999998	Soluble	High	Yes	No	No	No	No	No	No	-5.75999999999999979	0	0	0	0	0	0.550000000000000044
1444	204.349999999999994	C15H24	\N	\N	1	CC1=CC[C@@]2(CC1)C(=CCCC2(C)C)C	15	0	0.729999999999999982	0	0	0	68.519999999999996	0	3.18999999999999995	4.44000000000000039	4.87000000000000011	4.62999999999999989	4.29999999999999982	4.29000000000000004	-3.89999999999999991	0.0254999999999999984	0.000125000000000000003	Soluble	-4.16000000000000014	0.0142000000000000008	6.94000000000000064e-05	Moderately soluble	-3.9700000000000002	0.0218999999999999993	0.000106999999999999999	Soluble	Low	No	No	No	No	Yes	No	No	-4.38999999999999968	1	0	0	0	1	0.550000000000000044
1450	179.219999999999999	C10H13NO2	\N	\N	1	C[C@@H]1NCCc2c1cc(O)c(c2)O	13	6	0.400000000000000022	0	3	3	54.6400000000000006	52.490000000000002	1.59000000000000008	1.02000000000000002	0.599999999999999978	0.82999999999999996	1.45999999999999996	1.10000000000000009	-1.93999999999999995	2.08000000000000007	0.0115999999999999992	Very soluble	-1.70999999999999996	3.47999999999999998	0.0194000000000000006	Very soluble	-2.2799999999999998	0.932000000000000051	0.00519999999999999976	Soluble	High	Yes	No	No	No	No	No	No	-6.66999999999999993	0	0	0	0	1	0.550000000000000044
1458	256.300000000000011	C16H16O3	\N	\N	1	Oc1ccc(cc1)[C@@H]1CCc2c(O1)c(C)c(cc2)O	19	12	0.25	1	3	2	74.0900000000000034	49.6899999999999977	2.37999999999999989	3.4700000000000002	3.14999999999999991	2.45000000000000018	3.37000000000000011	2.95999999999999996	-4.01999999999999957	0.0246999999999999997	9.62999999999999962e-05	Moderately soluble	-4.20000000000000018	0.0162999999999999985	6.38000000000000058e-05	Moderately soluble	-4.5	0.00817999999999999977	3.19000000000000029e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	No	-5.40000000000000036	0	0	0	0	0	0.550000000000000044
1465	264.360000000000014	C16H24O3	\N	\N	1	COC(=O)C1=CC[C@@H](CC1)[C@@H](CC(=O)C=C(C)C)C	19	0	0.619999999999999996	6	3	0	77.4500000000000028	43.3699999999999974	3.29999999999999982	3.64999999999999991	3.45000000000000018	2.62999999999999989	3.56999999999999984	3.31999999999999984	-3.37999999999999989	0.110000000000000001	0.00041399999999999998	Soluble	-4.25	0.0149	5.62999999999999997e-05	Moderately soluble	-2.79999999999999982	0.418999999999999984	0.00158000000000000002	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.32000000000000028	0	0	0	0	0	0.550000000000000044
1472	204.349999999999994	C15H24	\N	\N	1	C=C/C(=C/C/C=C(/CCC=C(C)C)\\C)/C	15	0	0.469999999999999973	6	0	0	72.3199999999999932	0	3.89000000000000012	6.12000000000000011	5.20000000000000018	4.83999999999999986	4.75999999999999979	4.95999999999999996	-4.57000000000000028	0.00553999999999999979	2.71000000000000014e-05	Moderately soluble	-5.90000000000000036	0.000255999999999999988	1.2500000000000001e-06	Moderately soluble	-3.37000000000000011	0.0882000000000000006	0.000431999999999999984	Soluble	Low	No	No	Yes	No	Yes	No	No	-3.20000000000000018	1	0	0	0	2	0.550000000000000044
1479	198.300000000000011	C15H18	\N	\N	1	CC(c1ccc(c2c(c1)c(C)cc2)C)C	15	10	0.330000000000000016	1	0	0	67.5799999999999983	0	3.10999999999999988	4.75999999999999979	4.53000000000000025	5.26999999999999957	4.96999999999999975	4.53000000000000025	-4.5	0.00632999999999999969	3.19000000000000029e-05	Moderately soluble	-4.49000000000000021	0.0064099999999999999	3.22999999999999991e-05	Moderately soluble	-5.66999999999999993	0.000420000000000000017	2.12000000000000003e-06	Moderately soluble	Low	No	No	No	No	No	Yes	No	-4.12999999999999989	1	0	0	0	2	0.550000000000000044
1486	222.370000000000005	C15H26O	\N	\N	1	CC1=C[C@H]2[C@@H](CC1)[C@](C)(O)CCCC2(C)C	16	0	0.869999999999999996	0	1	1	70.4599999999999937	20.2300000000000004	2.9700000000000002	3.49000000000000021	3.91999999999999993	3.66999999999999993	3.39999999999999991	3.49000000000000021	-3.41999999999999993	0.0850999999999999951	0.000382000000000000015	Soluble	-3.60000000000000009	0.0562	0.000253000000000000024	Soluble	-3.18000000000000016	0.145999999999999991	0.000654999999999999983	Soluble	High	Yes	No	No	No	No	No	No	-5.17999999999999972	0	0	0	0	1	0.550000000000000044
2924	228.243300000000005	C14H12O3	Pigmentation agent	C09314	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
1493	266.379999999999995	C16H26O3	\N	\N	1	COC(=O)C1=CC[C@@H](CC1)[C@@H](CC(=O)CC(C)C)C	19	0	0.75	7	3	0	77.9200000000000017	43.3699999999999974	3.31999999999999984	3.45999999999999996	3.5299999999999998	2.7200000000000002	3.74000000000000021	3.35000000000000009	-3.20999999999999996	0.164000000000000007	0.000617999999999999951	Soluble	-4.04999999999999982	0.0235999999999999995	8.85999999999999987e-05	Moderately soluble	-3.16000000000000014	0.182999999999999996	0.000687000000000000002	Soluble	High	Yes	No	No	No	No	No	No	-5.46999999999999975	0	0	0	0	0	0.550000000000000044
1507	232.319999999999993	C15H20O2	\N	\N	1	C[C@@H]1CC(=O)[C@@]2([C@@]1(C)Cc1occc1[C@H]2C)C	17	5	0.67000000000000004	0	2	0	67.3599999999999994	30.2100000000000009	2.58000000000000007	2.93999999999999995	3.56000000000000005	2.49000000000000021	3.7799999999999998	3.06999999999999984	-3.35000000000000009	0.103999999999999995	0.000445999999999999999	Soluble	-3.24000000000000021	0.135000000000000009	0.000580000000000000003	Soluble	-4.50999999999999979	0.0071599999999999997	3.08000000000000033e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-5.62999999999999989	0	0	0	0	0	0.550000000000000044
1515	238.370000000000005	C15H26O2	\N	\N	1	CC(=C)[C@@H]1[C@@H](O)C[C@@]2([C@@H]1CC[C@]([C@@H]2C)(C)O)C	17	0	0.869999999999999996	1	2	2	71.6200000000000045	40.4600000000000009	2.81000000000000005	3.02000000000000002	2.75	2.74000000000000021	2.56000000000000005	2.7799999999999998	-3.14999999999999991	0.16700000000000001	0.000701000000000000017	Soluble	-3.5299999999999998	0.0695999999999999952	0.000291999999999999996	Soluble	-2.29000000000000004	1.23999999999999999	0.00519000000000000017	Soluble	High	Yes	No	No	No	No	No	No	-5.61000000000000032	0	0	0	0	0	0.550000000000000044
1521	290.269999999999982	C15H14O6	\N	\N	1	Oc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O	21	12	0.200000000000000011	1	6	5	74.3299999999999983	110.379999999999995	1.37000000000000011	0.359999999999999987	1.21999999999999997	0.239999999999999991	0.979999999999999982	0.82999999999999996	-2.2200000000000002	1.73999999999999999	0.00598000000000000007	Soluble	-2.24000000000000021	1.65999999999999992	0.00572000000000000026	Soluble	-2.14000000000000012	2.08999999999999986	0.00719000000000000021	Soluble	High	No	Yes	No	No	No	No	No	-7.82000000000000028	0	0	0	0	0	0.550000000000000044
1528	290.269999999999982	C15H14O6	\N	\N	1	Oc1ccc2c(c1)O[C@@H]([C@H]([C@H]2O)O)c1ccc(c(c1)O)O	21	12	0.200000000000000011	1	6	5	73.4699999999999989	110.379999999999995	1.16999999999999993	0.660000000000000031	0.680000000000000049	-0.0200000000000000004	0.560000000000000053	0.609999999999999987	-2.41000000000000014	1.12000000000000011	0.00387000000000000018	Soluble	-2.54999999999999982	0.810000000000000053	0.00278999999999999995	Soluble	-1.90999999999999992	3.54999999999999982	0.0122000000000000008	Soluble	High	No	No	No	No	No	No	No	-7.59999999999999964	0	0	0	0	0	0.550000000000000044
1535	250.330000000000013	C15H22O3	\N	\N	1	O=CC1=CC[C@@H]2[C@]([C@@]1(O)C=O)(C)CCCC2(C)C	18	0	0.729999999999999982	2	3	1	70.5999999999999943	54.3699999999999974	1.87000000000000011	2.83000000000000007	2.2799999999999998	1.65999999999999992	3	2.33000000000000007	-3.04000000000000004	0.227000000000000007	0.000906000000000000013	Soluble	-3.62999999999999989	0.0587000000000000022	0.000234999999999999993	Soluble	-2.62999999999999989	0.583999999999999964	0.00233000000000000004	Soluble	High	Yes	No	No	No	No	No	No	-5.82000000000000028	0	0	0	0	0	0.550000000000000044
1543	302.279999999999973	C16H14O6	\N	\N	1	COc1cc(ccc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O	22	12	0.190000000000000002	2	6	3	78.0600000000000023	96.2199999999999989	2.25	2.60000000000000009	2.18999999999999995	0.409999999999999976	2.08000000000000007	1.90999999999999992	-3.62000000000000011	0.0719000000000000056	0.000238000000000000012	Soluble	-4.26999999999999957	0.0161999999999999991	5.36999999999999975e-05	Moderately soluble	-3.5299999999999998	0.0884000000000000064	0.000291999999999999996	Soluble	High	No	Yes	Yes	No	No	No	Yes	-6.29999999999999982	0	0	0	0	0	0.550000000000000044
1549	256.25	C15H12O4	\N	\N	1	Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2)O	19	12	0.130000000000000004	1	4	2	69.5499999999999972	66.7600000000000051	1.72999999999999998	2.29999999999999982	2.47999999999999998	1.27000000000000002	2.54999999999999982	2.06999999999999984	-3.2799999999999998	0.135000000000000009	0.000525999999999999992	Soluble	-3.33999999999999986	0.117000000000000007	0.000456999999999999995	Soluble	-4	0.0258	0.000101000000000000002	Soluble	High	Yes	Yes	Yes	No	No	No	No	-6.23000000000000043	0	0	0	0	0	0.550000000000000044
1556	334.279999999999973	C16H14O8	\N	\N	1	COc1c(O)cc2c(c1O)C(=O)[C@@H]([C@H](O2)c1ccc(c(c1)O)O)O	24	12	0.190000000000000002	2	8	5	81.25	136.680000000000007	1.87000000000000011	0.92000000000000004	0.869999999999999996	-0.910000000000000031	0.709999999999999964	0.689999999999999947	-2.72999999999999998	0.621999999999999997	0.00186000000000000011	Soluble	-3.37999999999999989	0.140999999999999986	0.000420999999999999988	Soluble	-2.14000000000000012	2.43999999999999995	0.00728999999999999961	Soluble	High	No	Yes	No	No	No	No	No	-7.69000000000000039	0	0	0	1	0	0.550000000000000044
1563	166.219999999999999	C10H14O2	\N	\N	1	O=CC(=C)[C@H]1CC[C@@H]([C@H]1C=O)C	12	0	0.599999999999999978	3	2	0	48	34.1400000000000006	1.62999999999999989	1.5	1.60000000000000009	1.16999999999999993	2.12999999999999989	1.6100000000000001	-1.62000000000000011	4.00999999999999979	0.0240999999999999999	Very soluble	-1.82000000000000006	2.49000000000000021	0.0149999999999999994	Very soluble	-1.30000000000000004	8.34999999999999964	0.0502000000000000016	Soluble	High	Yes	No	No	No	No	No	No	-6.25	0	0	0	0	1	0.550000000000000044
1570	406.379999999999995	C17H26O11	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@@](C)(O)CC3)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	28	0	0.819999999999999951	5	11	6	88.5999999999999943	175.370000000000005	1.98999999999999999	-2.16999999999999993	-2.89000000000000012	-2.52000000000000002	-2.2799999999999998	-1.57000000000000006	-0.660000000000000031	88.4000000000000057	0.217999999999999999	Very soluble	-0.979999999999999982	42.2999999999999972	0.103999999999999995	Very soluble	1.84000000000000008	28200	69.5	Soluble	Low	No	No	No	No	No	No	No	-10.3200000000000003	2	1	1	1	4	0.110000000000000001
1577	166.219999999999999	C10H14O2	\N	\N	1	C[C@H]1CC[C@H]2[C@@H]1C(=O)OC=C2C	12	0	0.699999999999999956	0	2	0	46.7700000000000031	26.3000000000000007	2.29000000000000004	1.90999999999999992	2.10999999999999988	2.08000000000000007	1.92999999999999994	2.06000000000000005	-2.06999999999999984	1.39999999999999991	0.00843999999999999959	Soluble	-2.08999999999999986	1.37000000000000011	0.00821000000000000028	Soluble	-1.55000000000000004	4.65000000000000036	0.0280000000000000006	Soluble	High	Yes	No	No	No	No	No	No	-5.95999999999999996	0	0	0	0	1	0.550000000000000044
1584	394.420000000000016	C20H26O8	\N	\N	1	CCO[C@H]1O[C@H](OCC)[C@H]2[C@@H](C1)[C@H](OC(=O)c1ccc(cc1)O)[C@H]1[C@]2(CO)O1	28	6	0.650000000000000022	8	8	2	96.6299999999999955	106.980000000000004	3.43000000000000016	1.40999999999999992	1.43999999999999995	0.82999999999999996	1.60000000000000009	1.73999999999999999	-2.79999999999999982	0.618999999999999995	0.00157	Soluble	-3.25999999999999979	0.215999999999999998	0.000547999999999999985	Soluble	-2.62999999999999989	0.922000000000000042	0.00234000000000000007	Soluble	High	No	No	No	No	No	No	Yes	-7.70000000000000018	0	0	0	0	0	0.550000000000000044
1592	302.319999999999993	C17H18O5	\N	\N	1	COc1ccc(cc1)C[C@@H](C(=O)c1ccc(cc1O)OC)O	22	12	0.239999999999999991	6	5	2	82.0999999999999943	75.9899999999999949	2.95000000000000018	3.08000000000000007	2.20000000000000018	1.33000000000000007	2.93999999999999995	2.5	-3.66000000000000014	0.0657999999999999974	0.000218000000000000013	Soluble	-4.33999999999999986	0.0137000000000000004	4.5399999999999999e-05	Moderately soluble	-4.41000000000000014	0.0117999999999999997	3.88999999999999969e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-5.95999999999999996	0	0	0	0	0	0.550000000000000044
1599	370.399999999999977	C21H22O6	\N	\N	1	COc1cc(cc(c1O)CC=C(C)C)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O	27	12	0.28999999999999998	4	6	3	101.780000000000001	96.2199999999999989	3.22999999999999998	4.53000000000000025	3.70000000000000018	1.5	3.81000000000000005	3.35000000000000009	-5.05999999999999961	0.00325999999999999988	8.81000000000000035e-06	Moderately soluble	-6.26999999999999957	0.000197999999999999988	5.33999999999999991e-07	Poorly soluble	-4.75999999999999979	0.00642000000000000036	1.73000000000000004e-05	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-5.33999999999999986	0	0	0	0	0	0.550000000000000044
1606	150.219999999999999	C10H14O	\N	\N	1	CC(c1ccc(c(c1)O)C)C	11	6	0.400000000000000022	1	1	1	48.009999999999998	20.2300000000000004	2.24000000000000021	3.49000000000000021	2.81999999999999984	2.75999999999999979	2.79000000000000004	2.81999999999999984	-3.31000000000000005	0.0739999999999999963	0.000492000000000000033	Soluble	-3.60000000000000009	0.0379000000000000031	0.000253000000000000024	Soluble	-3.00999999999999979	0.145999999999999991	0.000970999999999999966	Soluble	High	Yes	No	Yes	No	No	No	No	-4.74000000000000021	0	1	0	0	2	0.550000000000000044
1613	152.22999999999999	C10H16O	\N	\N	1	O=C/C=C(\\CCC=C(C)C)/C	11	0	0.5	4	1	0	49.4399999999999977	17.0700000000000003	2.4700000000000002	3.0299999999999998	2.87999999999999989	2.49000000000000021	2.64999999999999991	2.70999999999999996	-2.43000000000000016	0.566999999999999948	0.00372999999999999981	Soluble	-3.04999999999999982	0.134000000000000008	0.000882999999999999996	Soluble	-1.95999999999999996	1.65999999999999992	0.0109	Soluble	High	Yes	No	No	No	No	No	No	-5.08000000000000007	0	1	0	0	2	0.550000000000000044
1618	164.199999999999989	C10H12O2	\N	\N	1	C[C@@H]1CC(=O)c2c(C1)occ2C	12	5	0.5	0	2	0	46.3299999999999983	30.2100000000000009	2.16999999999999993	1.91999999999999993	2.35000000000000009	1.12999999999999989	2.93000000000000016	2.10000000000000009	-2.37999999999999989	0.690999999999999948	0.0042100000000000002	Soluble	-2.18000000000000016	1.09000000000000008	0.00664000000000000007	Soluble	-3.14000000000000012	0.117999999999999994	0.000719000000000000021	Soluble	High	Yes	No	Yes	No	No	No	No	-5.94000000000000039	0	0	0	0	1	0.550000000000000044
1625	154.25	C10H18O	\N	\N	1	OC/C=C(\\CCC=C(C)C)/C	11	0	0.599999999999999978	4	1	1	50.3999999999999986	20.2300000000000004	2.75	3.56000000000000005	2.66999999999999993	2.58999999999999986	2.35000000000000009	2.7799999999999998	-2.7799999999999998	0.259000000000000008	0.00168000000000000007	Soluble	-3.66999999999999993	0.0330000000000000016	0.000213999999999999998	Soluble	-1.84000000000000008	2.20000000000000018	0.0143000000000000002	Soluble	High	Yes	No	No	No	No	No	No	-4.70999999999999996	0	1	0	0	2	0.550000000000000044
1631	136.22999999999999	C10H16	\N	\N	1	C=C1CC[C@H]2C[C@@H]1C2(C)C	10	0	0.800000000000000044	0	0	0	45.2199999999999989	0	2.58999999999999986	4.16000000000000014	3	4.29000000000000004	3.08000000000000007	3.41999999999999993	-3.31000000000000005	0.0674000000000000016	0.000494999999999999997	Soluble	-3.87000000000000011	0.0184999999999999991	0.000135999999999999999	Soluble	-2.47999999999999998	0.455000000000000016	0.00334000000000000009	Soluble	Low	Yes	No	No	No	Yes	No	No	-4.17999999999999972	1	1	0	0	2	0.550000000000000044
1643	152.22999999999999	C10H16O	\N	\N	1	O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	11	0	0.900000000000000022	1	1	0	45.8999999999999986	17.0700000000000003	2.2799999999999998	2.27000000000000002	2.25999999999999979	2.29999999999999982	2.62999999999999989	2.35000000000000009	-2.14999999999999991	1.08000000000000007	0.00711	Soluble	-2.27000000000000002	0.826999999999999957	0.00542999999999999993	Soluble	-2.14999999999999991	1.08000000000000007	0.00710000000000000041	Soluble	High	Yes	No	No	No	No	No	No	-5.62000000000000011	0	1	0	0	2	0.550000000000000044
2925	606.707400000000007	C37H38N2O6	\N	C09391	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
1649	276.279999999999973	C15H16O5	\N	\N	1	COC1=CC(=O)O[C@H](C1)CCc1ccc2c(c1)OCO2	20	6	0.400000000000000022	4	5	0	70.9000000000000057	53.990000000000002	2.95000000000000018	2.56000000000000005	2.18999999999999995	1.55000000000000004	2.87999999999999989	2.43000000000000016	-3.12000000000000011	0.20799999999999999	0.000751999999999999956	Soluble	-3.33999999999999986	0.126000000000000001	0.000456000000000000025	Soluble	-3.62000000000000011	0.0656999999999999945	0.000238000000000000012	Soluble	High	Yes	No	Yes	Yes	Yes	No	No	-6.16999999999999993	0	0	0	0	0	0.560000000000000053
1657	286.279999999999973	C16H14O5	\N	\N	1	O=Cc1c(O)cc(c(c1O)C(=O)CCc1ccccc1)O	21	12	0.119999999999999996	5	5	3	77.3900000000000006	94.8299999999999983	2.31999999999999984	3	2.43000000000000016	1	2.87000000000000011	2.31999999999999984	-3.60000000000000009	0.0723000000000000032	0.000252	Soluble	-4.66000000000000014	0.0063200000000000001	2.20999999999999985e-05	Moderately soluble	-3.89000000000000012	0.0367000000000000035	0.000127999999999999994	Soluble	High	No	No	Yes	No	Yes	No	Yes	-5.91999999999999993	0	0	0	0	0	0.550000000000000044
1664	518.419999999999959	C24H22O13	\N	\N	1	OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	37	16	0.28999999999999998	8	13	6	122.430000000000007	213.419999999999987	0.780000000000000027	1.53000000000000003	0.0800000000000000017	-1.75	0.200000000000000011	0.170000000000000012	-3.81000000000000005	0.0802999999999999964	0.000155	Soluble	-5.62000000000000011	0.00124	2.38999999999999999e-06	Moderately soluble	-2.64000000000000012	1.17999999999999994	0.00227999999999999991	Soluble	Low	No	Yes	No	No	No	No	No	-8.38000000000000078	3	1	1	1	3	0.110000000000000001
1672	282.29000000000002	C17H14O4	\N	\N	1	COc1cc(OC)c2c(c1)oc(cc2=O)c1ccccc1	21	16	0.119999999999999996	3	4	0	80.9000000000000057	48.6700000000000017	2.95000000000000018	3.62000000000000011	3.47999999999999998	1.57000000000000006	4.04000000000000004	3.12999999999999989	-4.24000000000000021	0.0164000000000000014	5.80000000000000003e-05	Moderately soluble	-4.33000000000000007	0.0131999999999999999	4.67999999999999992e-05	Moderately soluble	-6.37999999999999989	0.000117999999999999995	4.16999999999999989e-07	Poorly soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.45000000000000018	0	0	0	0	0	0.550000000000000044
1679	286.240000000000009	C15H10O6	\N	\N	1	Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1O	21	16	0	1	6	4	76.0100000000000051	111.129999999999995	1.85000000000000009	1.89999999999999991	2.2799999999999998	-0.0299999999999999989	2.0299999999999998	1.6100000000000001	-3.31000000000000005	0.140000000000000013	0.000489999999999999984	Soluble	-3.85999999999999988	0.039800000000000002	0.000138999999999999991	Soluble	-3.81999999999999984	0.0429000000000000006	0.000149999999999999987	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.70000000000000018	0	0	0	0	0	0.550000000000000044
1685	222.240000000000009	C15H10O2	\N	\N	1	O=c1cc(oc2c1cccc2)c1ccccc1	17	16	0	1	2	0	67.9200000000000017	30.2100000000000009	2.54999999999999982	3.56000000000000005	3.45999999999999996	2.27000000000000002	4.04000000000000004	3.18000000000000016	-4.08999999999999986	0.0179999999999999986	8.11000000000000062e-05	Moderately soluble	-3.87999999999999989	0.0292999999999999997	0.00013200000000000001	Soluble	-6.12999999999999989	0.000163000000000000005	7.33000000000000012e-07	Poorly soluble	High	Yes	No	Yes	Yes	No	No	No	-5.12999999999999989	0	0	0	0	0	0.550000000000000044
1692	274.230000000000018	C14H10O6	\N	\N	1	COc1cc(O)c2c(c1)oc1c(c2=O)cc(c(c1)O)O	20	14	0.0700000000000000067	1	6	3	72.5499999999999972	100.129999999999995	1.69999999999999996	2.41999999999999993	2.06999999999999984	0.0200000000000000004	2	1.6399999999999999	-3.52000000000000002	0.0834000000000000019	0.000304000000000000017	Soluble	-4.16999999999999993	0.0187000000000000013	6.83999999999999956e-05	Moderately soluble	-3.68999999999999995	0.0560999999999999971	0.000204999999999999996	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.25	0	0	0	0	0	0.550000000000000044
1700	288.25	C15H12O6	\N	\N	1	COc1cc(O)c2c(c1)oc1c(c2=O)ccc(c1OC)O	21	14	0.130000000000000004	2	6	2	77.019999999999996	89.1299999999999955	2.68999999999999995	2.75	2.37000000000000011	0.280000000000000027	2.52000000000000002	2.12000000000000011	-3.7200000000000002	0.0548000000000000015	0.00019000000000000001	Soluble	-4.28000000000000025	0.0152	5.28999999999999983e-05	Moderately soluble	-4.38999999999999968	0.0117999999999999997	4.10000000000000005e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.11000000000000032	0	0	0	0	0	0.550000000000000044
1706	302.240000000000009	C15H10O7	\N	\N	1	Oc1ccc(cc1)c1oc2cc(O)c(c(c2c(=O)c1O)O)O	22	16	0	1	7	5	78.0300000000000011	131.360000000000014	1.87000000000000011	1.54000000000000004	1.98999999999999999	-0.560000000000000053	1.54000000000000004	1.28000000000000003	-3.16000000000000014	0.210999999999999993	0.000698000000000000053	Soluble	-3.91000000000000014	0.0374000000000000027	0.000124000000000000005	Soluble	-3.24000000000000021	0.172999999999999987	0.00057300000000000005	Soluble	High	No	No	Yes	No	No	Yes	Yes	-7.04999999999999982	0	0	0	0	0	0.550000000000000044
1713	406.339999999999975	C19H18O10	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc1ccc(cc1c2=O)O)O	29	14	0.320000000000000007	2	10	7	98.6800000000000068	181.050000000000011	1.1100000000000001	-0.0100000000000000002	-0.75	-2.16000000000000014	-0.200000000000000011	-0.400000000000000022	-2.58000000000000007	1.07000000000000006	0.00263999999999999999	Soluble	-3.33999999999999986	0.184999999999999998	0.000453999999999999976	Soluble	-1.56000000000000005	11.1999999999999993	0.0275000000000000001	Soluble	Low	No	No	No	No	No	No	No	-8.78999999999999915	1	1	1	1	2	0.550000000000000044
1720	244.199999999999989	C13H8O5	\N	\N	1	Oc1c(O)ccc2c1oc1cccc(c1c2=O)O	18	14	0	0	5	3	66.0600000000000023	90.9000000000000057	1.42999999999999994	2.45000000000000018	2.06000000000000005	0.299999999999999989	1.97999999999999998	1.6399999999999999	-3.4700000000000002	0.0821999999999999953	0.000335999999999999981	Soluble	-4	0.0242999999999999987	9.94000000000000038e-05	Moderately soluble	-3.56999999999999984	0.0660000000000000031	0.000270000000000000003	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.04999999999999982	0	0	0	0	0	0.550000000000000044
1727	340.329999999999984	C19H16O6	\N	\N	1	COc1cc2O[C@H](Cc2c2c1c(=O)c1c(o2)c(O)ccc1)[C@@]1(C)CO1	25	14	0.320000000000000007	2	6	1	91.2800000000000011	81.4300000000000068	2.83999999999999986	2.5299999999999998	2.75	0.969999999999999973	4.12999999999999989	2.64000000000000012	-3.83000000000000007	0.0507999999999999979	0.00014899999999999999	Soluble	-3.89000000000000012	0.0442000000000000032	0.000129999999999999989	Soluble	-5.54000000000000004	0.000992999999999999959	2.91999999999999999e-06	Moderately soluble	High	No	No	Yes	Yes	Yes	Yes	Yes	-6.58000000000000007	0	0	0	0	0	0.550000000000000044
1734	300.259999999999991	C16H12O6	\N	\N	1	COc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O	22	16	0.0599999999999999978	2	6	3	80.480000000000004	100.129999999999995	2.43000000000000016	2.2200000000000002	2.58999999999999986	0.220000000000000001	2.54999999999999982	2	-3.50999999999999979	0.0936000000000000026	0.000311999999999999994	Soluble	-3.95999999999999996	0.0330999999999999975	0.000110000000000000004	Soluble	-4.51999999999999957	0.00906999999999999994	3.01999999999999988e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-6.55999999999999961	0	0	0	0	0	0.550000000000000044
1741	318.240000000000009	C15H10O8	\N	\N	1	Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1cc(O)c(c(c1)O)O	23	16	0	1	8	6	80.0600000000000023	151.590000000000003	1.08000000000000007	1.17999999999999994	1.68999999999999995	-1.08000000000000007	1.06000000000000005	0.790000000000000036	-3.00999999999999979	0.314000000000000001	0.000987999999999999946	Soluble	-3.95999999999999996	0.0350000000000000033	0.000110000000000000004	Soluble	-2.66000000000000014	0.697999999999999954	0.00219000000000000011	Soluble	Low	No	No	Yes	No	No	No	Yes	-7.40000000000000036	1	0	1	1	2	0.550000000000000044
1748	448.379999999999995	C21H20O11	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(c(c1)O)O)O	32	16	0.28999999999999998	3	11	8	108.629999999999995	201.280000000000001	1	-0.149999999999999994	-0.530000000000000027	-2.50999999999999979	-0.140000000000000013	-0.469999999999999973	-2.70000000000000018	0.900000000000000022	0.00201000000000000007	Soluble	-3.62000000000000011	0.106999999999999998	0.000239000000000000009	Soluble	-1.79000000000000004	7.32000000000000028	0.0162999999999999985	Soluble	Low	No	No	No	No	No	No	No	-9.14000000000000057	2	1	1	1	3	0.170000000000000012
1756	318.240000000000009	C15H10O8	\N	\N	1	Oc1ccc(cc1O)c1oc2cc(O)c(c(c2c(=O)c1O)O)O	23	16	0	1	8	6	80.0600000000000023	151.590000000000003	1.72999999999999998	1.17999999999999994	1.68999999999999995	-1.08000000000000007	1.06000000000000005	0.92000000000000004	-3.00999999999999979	0.314000000000000001	0.000987999999999999946	Soluble	-3.95999999999999996	0.0350000000000000033	0.000110000000000000004	Soluble	-2.66000000000000014	0.697999999999999954	0.00219000000000000011	Soluble	Low	No	No	Yes	No	No	No	Yes	-7.40000000000000036	1	0	1	1	2	0.550000000000000044
1762	141.169999999999987	C7H11NO2	\N	\N	1	CN1CC(=CCC1)C(=O)O	10	0	0.569999999999999951	1	3	1	41.759999999999998	40.5399999999999991	1.39999999999999991	-2.25999999999999979	-0.0500000000000000028	0.25	0.28999999999999998	-0.0700000000000000067	0.770000000000000018	840	5.95000000000000018	Highly soluble	1.93999999999999995	12400	87.5999999999999943	Highly soluble	-0.0899999999999999967	115	0.812999999999999945	Soluble	High	No	No	No	No	No	No	No	-8.76999999999999957	0	1	0	0	2	0.550000000000000044
1769	297.480000000000018	C18H35NO2	\N	\N	1	CC(=O)CCCCCCCCCC[C@H]1CC[C@H]([C@H](N1)C)O	21	0	0.939999999999999947	11	3	2	94.5999999999999943	49.3299999999999983	3.79999999999999982	4.13999999999999968	3.60000000000000009	2.58999999999999986	4.37000000000000011	3.70000000000000018	-3.56999999999999984	0.080699999999999994	0.000270999999999999974	Soluble	-4.87999999999999989	0.00388999999999999979	1.30999999999999999e-05	Moderately soluble	-4.82000000000000028	0.00455000000000000022	1.52999999999999992e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-5.17999999999999972	0	0	1	0	0	0.550000000000000044
1779	159.180000000000007	C7H13NO3	\N	\N	1	O[C@H]1CC[N+]([C@@H]1C(=O)[O-])(C)C	11	0	0.859999999999999987	1	3	1	42.509999999999998	60.3599999999999994	-2.43000000000000016	-0.0299999999999999989	-2.43000000000000016	-4.17999999999999972	-0.859999999999999987	-1.98999999999999999	-0.739999999999999991	28.8000000000000007	0.180999999999999994	Very soluble	-0.790000000000000036	26	0.163000000000000006	Very soluble	-0.140000000000000013	114	0.71599999999999997	Soluble	Low	No	No	No	No	No	No	No	-7.29000000000000004	0	2	0	0	1	0.550000000000000044
1786	141.25	C9H19N	\N	\N	1	CCC[C@H]1CCCCN1C	10	0	1	2	1	0	50.0700000000000003	3.24000000000000021	2.66000000000000014	2.43000000000000016	1.8899999999999999	2.14999999999999991	2.04999999999999982	2.24000000000000021	-2.10999999999999988	1.08000000000000007	0.00768000000000000019	Soluble	-2.14000000000000012	1.02000000000000002	0.00723000000000000032	Soluble	-1.92999999999999994	1.65999999999999992	0.0117000000000000003	Soluble	Low	Yes	No	No	No	No	No	No	-5.44000000000000039	0	1	0	0	2	0.550000000000000044
2926	413.420500000000004	C22H23NO7	Antitussive	C09592	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2927	198.303400000000011	C15H18	\N	C09675	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2928	610.560600000000022	C28H34O15	\N	C09755	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2929	150.217600000000004	C10H14O	Pharmaceutic aid (stabilizer), Anthelminthic	C09908	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
1792	139.240000000000009	C9H17N	\N	\N	1	C/C=C/[C@H]1CCC[C@H](N1)C	10	0	0.780000000000000027	1	1	1	49.509999999999998	12.0299999999999994	2.64000000000000012	1.98999999999999999	1.70999999999999996	2	2.0299999999999998	2.08000000000000007	-1.8899999999999999	1.79000000000000004	0.0129	Very soluble	-1.87000000000000011	1.87999999999999989	0.0134999999999999998	Very soluble	-1.69999999999999996	2.81000000000000005	0.0201999999999999992	Soluble	High	Yes	No	No	No	No	No	No	-5.74000000000000021	0	1	0	0	2	0.550000000000000044
1799	173.210000000000008	C8H15NO3	\N	\N	1	O[C@@H]1CN2[C@@H]([C@@H]1O)[C@H](O)CCC2	12	0	1	0	4	3	46.6400000000000006	63.9299999999999997	1.44999999999999996	-1.26000000000000001	-1.83000000000000007	-0.82999999999999996	-1.03000000000000003	-0.699999999999999956	-0.119999999999999996	131	0.758000000000000007	Very soluble	0.409999999999999976	449	2.58999999999999986	Highly soluble	1.21999999999999997	2850	16.5	Soluble	High	No	Yes	No	No	No	No	No	-8.25	0	1	0	0	1	0.550000000000000044
1807	580.539999999999964	C33H24O10	\N	\N	1	COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1cc(ccc1OC)c1cc(=O)c2c(o1)cc(cc2O)OC	43	32	0.0899999999999999967	6	10	3	160.379999999999995	148.800000000000011	4.65000000000000036	6.01999999999999957	6.04000000000000004	0.810000000000000053	6.26999999999999957	4.75999999999999979	-7.38999999999999968	2.37999999999999991e-05	4.10999999999999975e-08	Poorly soluble	-8.91999999999999993	6.92999999999999972e-07	1.19000000000000003e-09	Poorly soluble	-10.7599999999999998	1.00999999999999995e-08	1.7500000000000001e-11	Insoluble	Low	No	No	No	No	No	No	No	-5.57000000000000028	1	3	1	2	1	0.550000000000000044
1814	344.319999999999993	C18H16O7	\N	\N	1	COc1ccc(cc1)c1oc2c(OC)c(OC)cc(c2c(=O)c1O)O	25	16	0.170000000000000012	4	7	2	91.4399999999999977	98.3599999999999994	3.10999999999999988	3.14000000000000012	2.89999999999999991	0.170000000000000012	3.12000000000000011	2.49000000000000021	-4.16000000000000014	0.0236999999999999988	6.88000000000000054e-05	Moderately soluble	-4.87999999999999989	0.00459000000000000033	1.32999999999999997e-05	Moderately soluble	-5.33000000000000007	0.00162999999999999994	4.7199999999999997e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.16999999999999993	0	0	0	0	0	0.550000000000000044
1822	284.259999999999991	C16H12O5	\N	\N	1	COc1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O	21	16	0.0599999999999999978	2	5	2	78.4599999999999937	79.9000000000000057	2.54999999999999982	3.49000000000000021	2.87999999999999989	0.770000000000000018	3.0299999999999998	2.54000000000000004	-4.23000000000000043	0.0166000000000000002	5.84999999999999989e-05	Moderately soluble	-4.84999999999999964	0.00400999999999999968	1.41000000000000005e-05	Moderately soluble	-5.09999999999999964	0.00224999999999999983	7.9100000000000005e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.55999999999999961	0	0	0	0	0	0.550000000000000044
1829	316.310000000000002	C17H16O6	\N	\N	1	COc1cc(O)c2c(c1)OC[C@H](C2=O)c1ccc(cc1OC)O	23	12	0.239999999999999991	3	6	2	82.5300000000000011	85.2199999999999989	2.62999999999999989	2.85999999999999988	2.4700000000000002	0.660000000000000031	2.60999999999999988	2.25	-3.79000000000000004	0.0512000000000000025	0.000162000000000000007	Soluble	-4.30999999999999961	0.0154999999999999999	4.91000000000000008e-05	Moderately soluble	-4.23000000000000043	0.0185999999999999985	5.89000000000000019e-05	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-6.20000000000000018	0	0	0	0	0	0.550000000000000044
1838	936.649999999999977	C41H28O26	\N	\N	1	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1COC(=O)c2cc(O)c(c(c2c2c(C(=O)O[C@H]1[C@@H]1OC(=O)c3cc(O)c(c(c3c3c4C(=O)O[C@H]1[C@@H](O)c4c(O)c(c3O)O)O)O)cc(O)c(c2O)O)O)O	67	30	0.149999999999999994	4	26	16	212.5	455.180000000000007	1.32000000000000006	1.23999999999999999	1.01000000000000001	-3.22999999999999998	-1.78000000000000003	-0.28999999999999998	-6.5	0.000299000000000000004	3.18999999999999985e-07	Poorly soluble	-10.4000000000000004	3.75999999999999992e-08	4.01000000000000024e-11	Insoluble	-2.25999999999999979	5.13999999999999968	0.00547999999999999963	Soluble	Low	No	Yes	No	No	No	No	No	-11.1300000000000008	3	3	1	1	5	0.170000000000000012
1847	746.620000000000005	C37H30O17	\N	\N	1	Oc1cc(O)c2c(c1)O[C@@H]([C@@H]([C@H]2c1c(O)cc(c2c1O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O)O)O)c1cc(O)c(c(c1)O)O	54	30	0.160000000000000003	6	17	13	184.439999999999998	307.75	2.00999999999999979	3.18000000000000016	3.0299999999999998	-1.06000000000000005	0.780000000000000027	1.59000000000000008	-6.49000000000000021	0.000242999999999999998	3.25000000000000012e-07	Poorly soluble	-9.3100000000000005	3.61999999999999986e-07	4.8499999999999998e-10	Poorly soluble	-4.16000000000000014	0.0522999999999999993	6.99999999999999939e-05	Moderately soluble	Low	No	No	No	No	No	No	No	-8.59999999999999964	3	3	1	1	4	0.170000000000000012
1856	740.659999999999968	C39H32O15	\N	\N	1	O=C1Oc2cc(O)c3c(c2[C@H](C1)c1ccc(c(c1)O)O)O[C@@H]([C@@H]([C@H]3c1c(O)cc(c2c1O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O	54	30	0.209999999999999992	4	15	11	187.569999999999993	267.29000000000002	2.02000000000000002	3.18000000000000016	3.49000000000000021	0.209999999999999992	2.18999999999999995	2.2200000000000002	-6.58000000000000007	0.000193999999999999999	2.61000000000000021e-07	Poorly soluble	-8.46000000000000085	2.53999999999999982e-06	3.42999999999999994e-09	Poorly soluble	-5.84999999999999964	0.00103999999999999991	1.39999999999999994e-06	Moderately soluble	Low	No	No	No	No	No	No	No	-8.5600000000000005	3	3	1	1	5	0.170000000000000012
1864	786.559999999999945	C34H26O22	\N	\N	1	O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)cc(O)c(c3O)O)O)O	56	24	0.179999999999999993	6	22	13	177.560000000000002	377.420000000000016	0.560000000000000053	1.22999999999999998	0.689999999999999947	-2.60000000000000009	-2.0299999999999998	-0.429999999999999993	-5.41000000000000014	0.00304000000000000017	3.87000000000000022e-06	Moderately soluble	-8.75	1.39000000000000003e-06	1.75999999999999992e-09	Poorly soluble	-1.34000000000000008	35.8999999999999986	0.0456000000000000016	Soluble	Low	No	Yes	No	No	No	No	No	-10.2200000000000006	3	3	1	1	4	0.170000000000000012
1873	380.480000000000018	C24H28O4	\N	\N	1	C/C(=C\\Cc1c(O)cc(cc1O)/C=C/c1ccc(cc1O)O)/CCC=C(C)C	28	12	0.25	7	4	4	117.180000000000007	80.9200000000000017	3.60999999999999988	6.54999999999999982	5.70000000000000018	3.83000000000000007	5.5	5.04000000000000004	-6.17999999999999972	0.000250999999999999975	6.60000000000000034e-07	Poorly soluble	-8.05000000000000071	3.40999999999999996e-06	8.96000000000000049e-09	Poorly soluble	-5.20000000000000018	0.00240999999999999982	6.34000000000000028e-06	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-3.9700000000000002	0	1	0	0	1	0.550000000000000044
1879	274.310000000000002	C16H18O4	\N	\N	1	COc1cc(CCc2ccc(cc2)O)cc(c1O)OC	20	12	0.25	5	4	2	77.730000000000004	58.9200000000000017	2.66999999999999993	3.37000000000000011	2.89999999999999991	2.25999999999999979	3.31000000000000005	2.89999999999999991	-3.7799999999999998	0.0458000000000000004	0.000166999999999999994	Soluble	-4.29000000000000004	0.0142000000000000008	5.17999999999999987e-05	Moderately soluble	-4.83000000000000007	0.00406999999999999983	1.48000000000000006e-05	Moderately soluble	High	Yes	No	Yes	No	Yes	Yes	No	-5.58000000000000007	0	0	0	0	0	0.550000000000000044
1886	284.310000000000002	C17H16O4	\N	\N	1	COc1cc(OC)c2c(c1)ccc1c2cc(OC)c(c1)O	21	14	0.179999999999999993	3	4	1	82.9500000000000028	47.9200000000000017	3.0299999999999998	3.97999999999999998	3.7200000000000002	2.35000000000000009	3.58000000000000007	3.33000000000000007	-4.41000000000000014	0.0111999999999999999	3.92999999999999998e-05	Moderately soluble	-4.69000000000000039	0.00583999999999999971	2.05000000000000002e-05	Moderately soluble	-5.54999999999999982	0.00079600000000000005	2.79999999999999987e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	No	-5.20999999999999996	0	0	0	0	0	0.550000000000000044
1893	256.300000000000011	C16H16O3	\N	\N	1	COc1cc(OC)c2c(c1)CCc1c2ccc(c1)O	19	12	0.25	2	3	1	74.7000000000000028	38.6899999999999977	2.7200000000000002	3.43000000000000016	3.18000000000000016	2.45000000000000018	3.7200000000000002	3.10000000000000009	-3.93000000000000016	0.0303999999999999999	0.000119000000000000006	Soluble	-3.91999999999999993	0.0305999999999999987	0.000119000000000000006	Soluble	-5.15000000000000036	0.00180999999999999998	7.07999999999999998e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-5.42999999999999972	0	0	0	0	0	0.550000000000000044
1900	351.389999999999986	C18H25NO6	\N	\N	1	C/C=C/1\\CC(=C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](OC1=O)CCN3C[C@H]2O	25	0	0.67000000000000004	0	7	2	93.0900000000000034	96.2999999999999972	2.79999999999999982	0.560000000000000053	-0.220000000000000001	0.630000000000000004	0.849999999999999978	0.92000000000000004	-2.37000000000000011	1.48999999999999999	0.00425000000000000031	Soluble	-2.14999999999999991	2.45999999999999996	0.00700000000000000015	Soluble	-1.42999999999999994	13.0999999999999996	0.0372999999999999998	Soluble	High	No	Yes	No	No	No	No	No	-8.05000000000000071	0	0	0	0	0	0.550000000000000044
1916	309.360000000000014	C16H23NO5	\N	\N	1	O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@H]([C@]([C@H]1C)(C)O)C	22	0	0.75	0	6	1	82.7900000000000063	76.0699999999999932	2.24000000000000021	0.209999999999999992	0.110000000000000001	1.04000000000000004	0.739999999999999991	0.869999999999999996	-1.8899999999999999	3.97999999999999998	0.0129	Very soluble	-1.37000000000000011	13.3000000000000007	0.0429999999999999966	Very soluble	-1.46999999999999997	10.5	0.0337999999999999967	Soluble	High	No	No	No	No	No	No	No	-8.03999999999999915	0	0	0	0	0	0.550000000000000044
1924	240.25	C15H12O3	\N	\N	1	Cc1cc2Cc3cccc(c3C(=O)c2c(c1)O)O	18	12	0.130000000000000004	0	3	2	68.3400000000000034	57.5300000000000011	2.56000000000000005	3.56000000000000005	2.54000000000000004	1.85000000000000009	3.35999999999999988	2.77000000000000002	-4.07000000000000028	0.0206999999999999997	8.60000000000000033e-05	Moderately soluble	-4.45000000000000018	0.00846000000000000051	3.52000000000000018e-05	Moderately soluble	-4.59999999999999964	0.00606000000000000028	2.51999999999999993e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.24000000000000021	0	0	0	0	0	0.550000000000000044
1930	226.27000000000001	C15H14O2	\N	\N	1	CC(=CCC1=CC(=O)c2c(C1=O)cccc2)C	17	6	0.200000000000000011	2	2	0	67.7999999999999972	34.1400000000000006	2.5299999999999998	3.75999999999999979	3.35000000000000009	2.20000000000000018	3.81999999999999984	3.12999999999999989	-3.74000000000000021	0.0410999999999999976	0.000182000000000000006	Soluble	-4.16999999999999993	0.0152999999999999994	6.76000000000000033e-05	Moderately soluble	-4.30999999999999961	0.0111000000000000005	4.89000000000000028e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	No	-5.00999999999999979	0	0	0	0	0	0.550000000000000044
1937	204.180000000000007	C11H8O4	\N	\N	1	CC1=C(O)c2cccc(c2C(=O)C1=O)O	15	6	0.0899999999999999967	0	4	2	53.2199999999999989	74.5999999999999943	1.35000000000000009	1.41999999999999993	1.44999999999999996	-0.260000000000000009	1.69999999999999996	1.12999999999999989	-2.29999999999999982	1.03000000000000003	0.0050499999999999998	Soluble	-2.58999999999999986	0.52300000000000002	0.00256000000000000021	Soluble	-2.5	0.650000000000000022	0.0031800000000000001	Soluble	High	No	No	Yes	No	No	No	Yes	-6.54000000000000004	0	0	0	0	0	0.560000000000000053
2930	234.380300000000005	C15H26N2	Oxytocic	C10783	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
1944	416.379999999999995	C21H20O9	\N	\N	1	O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C	30	12	0.330000000000000016	2	9	5	101.739999999999995	153.75	2.64999999999999991	1.40999999999999992	0.390000000000000013	-1	1.05000000000000004	0.900000000000000022	-3.4700000000000002	0.140000000000000013	0.000335999999999999981	Soluble	-4.24000000000000021	0.0238000000000000017	5.70999999999999988e-05	Moderately soluble	-2.77000000000000002	0.711999999999999966	0.00170999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-7.83999999999999986	0	0	1	1	1	0.550000000000000044
1951	185.219999999999999	C9H15NO3	\N	\N	1	OCC1=CCN(C)CC[C@H](C1=O)O	13	0	0.67000000000000004	1	4	2	52.1199999999999974	60.7700000000000031	1.39999999999999991	-0.409999999999999976	-1.20999999999999996	-0.770000000000000018	0.0599999999999999978	-0.190000000000000002	-0.660000000000000031	40.1000000000000014	0.216999999999999998	Very soluble	-0.400000000000000022	73.4000000000000057	0.396000000000000019	Very soluble	-0.209999999999999992	113	0.609999999999999987	Soluble	High	No	No	No	No	No	No	No	-7.71999999999999975	0	1	0	0	1	0.550000000000000044
1959	242.27000000000001	C15H14O3	\N	\N	1	CC(=CCC1=C(O)c2c(C(=O)C1=O)cccc2)C	18	6	0.200000000000000011	2	3	1	69.9500000000000028	54.3699999999999974	2.18999999999999995	2.79000000000000004	3.08000000000000007	1.32000000000000006	3.31999999999999984	2.54000000000000004	-3.20999999999999996	0.147999999999999993	0.000609999999999999974	Soluble	-3.58999999999999986	0.0625	0.000257999999999999983	Soluble	-3.95999999999999996	0.0269000000000000003	0.000111000000000000001	Soluble	High	Yes	No	Yes	Yes	No	No	No	-5.79999999999999982	0	0	0	0	0	0.560000000000000053
1965	270.240000000000009	C15H10O5	\N	\N	1	Cc1ccc2c(c1O)C(=O)c1c(C2=O)c(O)c(cc1)O	20	12	0.0700000000000000067	0	5	3	70.7800000000000011	94.8299999999999983	2.08999999999999986	3.27000000000000002	1.8899999999999999	0.359999999999999987	2.54999999999999982	2.0299999999999998	-4.01999999999999957	0.0258	9.56000000000000063e-05	Moderately soluble	-4.94000000000000039	0.00312999999999999997	1.16000000000000007e-05	Moderately soluble	-3.91000000000000014	0.0335999999999999979	0.000124000000000000005	Soluble	High	No	No	Yes	No	No	No	Yes	-5.62999999999999989	0	0	0	0	0	0.550000000000000044
1973	333.379999999999995	C18H23NO5	\N	\N	1	C/C=C\\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	24	0	0.560000000000000053	0	6	1	91.4599999999999937	76.0699999999999932	2.91999999999999993	0.689999999999999947	0.729999999999999982	1.34000000000000008	1.72999999999999998	1.47999999999999998	-2.33999999999999986	1.52000000000000002	0.00455000000000000022	Soluble	-1.8600000000000001	4.54999999999999982	0.0137000000000000004	Very soluble	-2.22999999999999998	1.97999999999999998	0.00593999999999999997	Soluble	High	No	No	No	No	No	No	No	-7.83999999999999986	0	0	0	0	0	0.550000000000000044
1979	188.180000000000007	C11H8O3	\N	\N	1	Cc1cc(O)c2c(c1)C(=O)C=CC2=O	14	6	0.0899999999999999967	0	3	1	51.2299999999999969	54.3699999999999974	1.76000000000000001	2.2799999999999998	1.6399999999999999	0.589999999999999969	2.24000000000000021	1.69999999999999996	-2.75999999999999979	0.327000000000000013	0.00174000000000000001	Soluble	-3.06000000000000005	0.164000000000000007	0.00087299999999999997	Soluble	-2.62999999999999989	0.441000000000000003	0.00234000000000000007	Soluble	High	Yes	No	Yes	No	No	No	No	-5.83000000000000007	0	0	0	0	1	0.550000000000000044
1986	314.29000000000002	C17H14O6	\N	\N	1	COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1O)C)C	23	12	0.179999999999999993	1	6	3	82.2399999999999949	104.060000000000002	2.56000000000000005	3.60999999999999988	2.20000000000000018	0.309999999999999998	3.10999999999999988	2.35999999999999988	-4.37999999999999989	0.0129999999999999994	4.13999999999999966e-05	Moderately soluble	-5.48000000000000043	0.0010300000000000001	3.28999999999999984e-06	Moderately soluble	-4.40000000000000036	0.0123999999999999996	3.94999999999999979e-05	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-5.65000000000000036	0	0	0	0	0	0.550000000000000044
1993	268.259999999999991	C16H12O4	\N	\N	1	COc1cc2oc(=O)cc(c2cc1O)c1ccccc1	20	16	0.0599999999999999978	2	4	1	76.4300000000000068	59.6700000000000017	2.62999999999999989	2.70000000000000018	3.16999999999999993	2.14000000000000012	3.52000000000000002	2.83000000000000007	-3.66000000000000014	0.0580999999999999989	0.000216999999999999989	Soluble	-3.60999999999999988	0.0665000000000000036	0.000248000000000000011	Soluble	-5.67999999999999972	0.000558000000000000011	2.07999999999999999e-06	Moderately soluble	High	Yes	No	Yes	No	No	Yes	No	-6.01999999999999957	0	0	0	0	0	0.550000000000000044
2001	338.350000000000023	C20H18O5	\N	\N	1	Oc1ccc2c(c1)O[C@@H]1[C@@]2(O)COc2c1cc1C=CC(Oc1c2)(C)C	25	12	0.299999999999999989	0	5	2	91.8400000000000034	68.1500000000000057	2.93999999999999995	3.35999999999999988	2.75	1.89999999999999991	3.10000000000000009	2.81000000000000005	-4.41000000000000014	0.0131999999999999999	3.88999999999999969e-05	Moderately soluble	-4.46999999999999975	0.0114999999999999998	3.39999999999999997e-05	Moderately soluble	-4.66000000000000014	0.00740000000000000033	2.19000000000000004e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-5.98000000000000043	0	0	0	0	0	0.550000000000000044
2008	386.350000000000023	C20H18O8	\N	\N	1	COc1cc(/C=C/C(=O)O)cc(c1O)c1cc(/C=C/C(=O)O)cc(c1O)OC	28	12	0.100000000000000006	7	8	4	102.25	133.52000000000001	2.4700000000000002	2.68000000000000016	2.75999999999999979	1.29000000000000004	2.70999999999999996	2.37999999999999989	-3.7799999999999998	0.064299999999999996	0.000165999999999999996	Soluble	-5.13999999999999968	0.00282000000000000002	7.31000000000000032e-06	Moderately soluble	-2.87999999999999989	0.508000000000000007	0.00131999999999999999	Soluble	High	No	No	No	No	Yes	No	No	-6.75	0	0	0	1	0	0.560000000000000053
2016	522.460000000000036	C24H26O13	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3occ(c(=O)c3c(c2OC)O)c2cc(O)c(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O	37	16	0.380000000000000004	7	13	6	125.590000000000003	197.740000000000009	1.20999999999999996	0.780000000000000027	0.0800000000000000017	-2.43000000000000016	0.57999999999999996	0.0400000000000000008	-3.43000000000000016	0.195000000000000007	0.000373000000000000013	Soluble	-4.50999999999999979	0.0160000000000000003	3.07000000000000008e-05	Moderately soluble	-2.97999999999999998	0.548000000000000043	0.00104999999999999994	Soluble	Low	No	Yes	No	No	No	No	Yes	-8.92999999999999972	3	1	1	1	3	0.170000000000000012
2023	448.509999999999991	C27H28O6	\N	\N	1	COc1c2C=CC(Oc2c(c2c1c(O)c(c1ccc(cc1)OC)c(=O)o2)CC=C(C)C)(C)C	33	16	0.299999999999999989	5	6	1	130.77000000000001	78.1299999999999955	4.70000000000000018	5.70000000000000018	5.76999999999999957	3.31000000000000005	6.29000000000000004	5.15000000000000036	-6.24000000000000021	0.000257999999999999983	5.75e-07	Poorly soluble	-7.11000000000000032	3.50999999999999994e-05	7.81999999999999988e-08	Poorly soluble	-7.82000000000000028	6.79000000000000021e-06	1.50999999999999996e-08	Poorly soluble	High	No	No	No	Yes	Yes	No	No	-4.99000000000000021	0	2	0	0	1	0.550000000000000044
2030	254.280000000000001	C16H14O3	\N	\N	1	COC1=CC(=O)C(=CC1=O)[C@@H](c1ccccc1)C=C	19	6	0.119999999999999996	4	3	0	72.6200000000000045	43.3699999999999974	2.41999999999999993	2.75	2.56000000000000005	1.48999999999999999	3.4700000000000002	2.54000000000000004	-3.12000000000000011	0.193000000000000005	0.000760999999999999958	Soluble	-3.31999999999999984	0.122999999999999998	0.000482999999999999977	Soluble	-3.9700000000000002	0.0271999999999999985	0.000106999999999999999	Soluble	High	Yes	No	Yes	Yes	Yes	No	No	-5.90000000000000036	0	0	0	0	0	0.560000000000000053
2038	322.350000000000023	C20H18O4	\N	\N	1	Oc1ccc2c(c1)OC[C@@H]1[C@H]2Oc2c1ccc1c2C=CC(O1)(C)C	24	12	0.299999999999999989	0	4	1	90.7999999999999972	47.9200000000000017	3.12000000000000011	3.56000000000000005	3.75	2.72999999999999998	3.60999999999999988	3.35000000000000009	-4.45000000000000018	0.0114000000000000004	3.53999999999999999e-05	Moderately soluble	-4.25	0.0181000000000000015	5.59999999999999992e-05	Moderately soluble	-5.03000000000000025	0.00304000000000000017	9.4399999999999994e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-5.74000000000000021	0	0	0	0	0	0.550000000000000044
2052	370.399999999999977	C21H22O6	\N	\N	1	COc1c(ccc(c1CC=C(C)C)O)[C@H]1COc2c(C1=O)c(O)cc(c2)O	27	12	0.28999999999999998	4	6	3	101.780000000000001	96.2199999999999989	3.10000000000000009	4.45999999999999996	3.68000000000000016	1.5	3.81000000000000005	3.31000000000000005	-5.00999999999999979	0.00360999999999999993	9.74999999999999982e-06	Moderately soluble	-6.20000000000000018	0.000233999999999999996	6.30999999999999973e-07	Poorly soluble	-4.75999999999999979	0.00642000000000000036	1.73000000000000004e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.38999999999999968	0	0	0	0	0	0.550000000000000044
2060	446.399999999999977	C22H22O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@@H]2[C@H]3Oc3c2cc2c(c3)OCO2)[C@@H]([C@H]([C@@H]1O)O)O	32	12	0.450000000000000011	3	10	4	104.859999999999999	136.300000000000011	2.68999999999999995	0.810000000000000053	-0.119999999999999996	-0.450000000000000011	0.349999999999999978	0.660000000000000031	-3.20000000000000018	0.282999999999999974	0.000635000000000000039	Soluble	-3.25	0.248999999999999999	0.000556999999999999986	Soluble	-2.20999999999999996	2.75	0.00615000000000000008	Soluble	High	No	Yes	No	No	No	No	No	-8.44999999999999929	0	0	0	1	0	0.550000000000000044
2067	382.360000000000014	C21H18O7	\N	\N	1	COc1cc(cc2c1OCO2)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2	28	12	0.380000000000000004	2	7	0	95.7600000000000051	72.4500000000000028	3.2799999999999998	3.16000000000000014	2.62999999999999989	2.39999999999999991	3.54000000000000004	3	-4.38999999999999968	0.0156999999999999987	4.11000000000000029e-05	Moderately soluble	-4.34999999999999964	0.0170000000000000012	4.44999999999999975e-05	Moderately soluble	-5.08000000000000007	0.00317000000000000007	8.28000000000000035e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-6.38999999999999968	0	0	0	0	0	0.550000000000000044
2075	400.45999999999998	C23H28O6	\N	\N	1	COc1cc2C[C@@H](C)[C@@H](C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1	29	12	0.479999999999999982	4	6	0	110.950000000000003	55.3800000000000026	4.04000000000000004	5.12999999999999989	4.49000000000000021	2.75999999999999979	4.87999999999999989	4.25999999999999979	-5.59999999999999964	0.00101000000000000005	2.52999999999999992e-06	Moderately soluble	-6.04000000000000004	0.000366999999999999976	9.16999999999999966e-07	Poorly soluble	-6.51999999999999957	0.000120000000000000003	3.01000000000000009e-07	Poorly soluble	High	Yes	No	No	Yes	Yes	Yes	No	-5.09999999999999964	0	0	0	0	1	0.550000000000000044
2083	372.410000000000025	C21H24O6	\N	\N	1	C=CC[C@@H]1C(=O)C=C([C@@]2([C@H]1O[C@@H]([C@H]2C)c1ccc2c(c1)OCO2)OC)OC	27	6	0.479999999999999982	5	6	0	98.2800000000000011	63.2199999999999989	3.62999999999999989	2.43999999999999995	2.85999999999999988	1.26000000000000001	3.41000000000000014	2.7200000000000002	-3.52000000000000002	0.112000000000000002	0.000302000000000000022	Soluble	-3.41000000000000014	0.14499999999999999	0.000387999999999999999	Soluble	-4.25	0.020799999999999999	5.58000000000000011e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	Yes	-6.83999999999999986	0	0	0	0	0	0.560000000000000053
2931	677.184799999999996	C33H38N4O6. 3H2O. HCl	Antineoplastic, DNA topoisomerate I inhibitor	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2932	909.052599999999984	C46H58N4O9. H2SO4	Antineoplastic	C11626	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2933	366.408799999999985	C18H26NO3. NO3	Antispasmodic, Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2089	315.360000000000014	C18H21NO4	\N	\N	1	COC1=C[C@]23[C@@H]([C@@H]1O)c1cc4OCOc4cc1CCN3CCC2	23	6	0.560000000000000053	1	5	1	87.980000000000004	51.1599999999999966	3.02000000000000002	0.209999999999999992	1.40999999999999992	1.56000000000000005	2	1.6399999999999999	-2.04999999999999982	2.7799999999999998	0.00881999999999999972	Soluble	-0.839999999999999969	45.2000000000000028	0.142999999999999988	Very soluble	-3.06999999999999984	0.269000000000000017	0.000853000000000000026	Soluble	High	Yes	Yes	No	No	No	Yes	No	-8.07000000000000028	0	0	0	0	0	0.550000000000000044
2097	383.350000000000023	C20H17NO7	\N	\N	1	Oc1ccc(cc1)c1oc2c([C@@H]3C[C@@H](C(=O)N3)C)c(O)cc(c2c(=O)c1O)O	28	16	0.200000000000000011	2	7	5	105.010000000000005	140.22999999999999	1.64999999999999991	2.29999999999999982	1.77000000000000002	-0.0899999999999999967	2.2799999999999998	1.58000000000000007	-3.95999999999999996	0.0424000000000000002	0.000111000000000000001	Soluble	-4.87999999999999989	0.00502000000000000016	1.30999999999999999e-05	Moderately soluble	-4.74000000000000021	0.00698000000000000009	1.81999999999999985e-05	Moderately soluble	High	No	No	No	No	No	No	No	-7.00999999999999979	0	0	1	1	0	0.550000000000000044
2105	252.310000000000002	C17H16O2	\N	\N	1	C=C[C@H](c1ccc(cc1)O)/C=C\\c1ccc(cc1)O	19	12	0.0599999999999999978	4	2	2	79.0100000000000051	40.4600000000000009	2.56999999999999984	4.37999999999999989	3.9700000000000002	3.54000000000000004	4	3.68999999999999995	-4.37000000000000011	0.0108000000000000006	4.28999999999999992e-05	Moderately soluble	-4.95000000000000018	0.00286000000000000013	1.13000000000000002e-05	Moderately soluble	-4.34999999999999964	0.0111999999999999999	4.42999999999999994e-05	Moderately soluble	High	Yes	No	Yes	No	Yes	Yes	Yes	-4.73000000000000043	0	0	0	0	0	0.550000000000000044
2112	351.399999999999977	C20H21N3O3	\N	\N	1	COc1cccc2c1nc1n(c2=O)CC[C@@]1(O)c1ccccc1N(C)C	26	16	0.299999999999999989	3	4	1	101.150000000000006	67.5900000000000034	2.64999999999999991	1.96999999999999997	2	1.70999999999999996	2.39999999999999991	2.14999999999999991	-3.52000000000000002	0.106999999999999998	0.000304000000000000017	Soluble	-3.00999999999999979	0.340000000000000024	0.000965999999999999953	Soluble	-5.37000000000000011	0.00150000000000000003	4.27999999999999968e-06	Moderately soluble	High	Yes	Yes	Yes	No	Yes	Yes	Yes	-7.04000000000000004	0	0	0	0	0	0.550000000000000044
2119	250.300000000000011	C16H14N2O	\N	\N	1	O=c1nc(Cc2ccccc2)n(c2c1cccc2)C	19	16	0.119999999999999996	2	2	0	76.7199999999999989	34.8900000000000006	2.33000000000000007	2.4700000000000002	2.52000000000000002	3.12999999999999989	3.39999999999999991	2.77000000000000002	-3.43999999999999995	0.0911000000000000004	0.000364000000000000011	Soluble	-2.85000000000000009	0.355999999999999983	0.00142000000000000004	Soluble	-5.71999999999999975	0.000473000000000000005	1.8899999999999999e-06	Moderately soluble	High	Yes	No	Yes	Yes	No	No	No	-6.07000000000000028	0	0	0	0	0	0.550000000000000044
2125	304.360000000000014	C17H22NO4	\N	\N	1	COc1c2C[C@@H](Oc2[n+](c2c1cccc2OC)C)C(O)(C)C	22	10	0.469999999999999973	3	4	1	85.4899999999999949	51.7999999999999972	0.0599999999999999978	2.60000000000000009	1.76000000000000001	1.72999999999999998	2.54000000000000004	1.73999999999999999	-3.5	0.0955000000000000016	0.000313999999999999989	Soluble	-3.33999999999999986	0.140000000000000013	0.000460000000000000014	Soluble	-3.81999999999999984	0.0463000000000000009	0.000152000000000000008	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.30999999999999961	0	0	0	0	0	0.550000000000000044
2132	307.339999999999975	C19H17NO3	\N	\N	1	COc1cc(CCc2ccc3c(c2)OCO3)nc2c1cccc2	23	16	0.209999999999999992	4	4	0	88.5600000000000023	40.5799999999999983	3.54999999999999982	4.23000000000000043	3.75999999999999979	2.79000000000000004	4.62999999999999989	3.79000000000000004	-4.66000000000000014	0.00670999999999999982	2.18000000000000013e-05	Moderately soluble	-4.79000000000000004	0.00495000000000000041	1.60999999999999983e-05	Moderately soluble	-6.88999999999999968	3.92999999999999998e-05	1.28000000000000008e-07	Poorly soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.16999999999999993	0	0	0	0	0	0.550000000000000044
2139	159.180000000000007	C10H9NO	\N	\N	1	Cn1ccc(=O)c2c1cccc2	12	10	0.100000000000000006	0	1	0	49.4699999999999989	22	1.84000000000000008	0.440000000000000002	1.54000000000000004	1.1399999999999999	2.02000000000000002	1.39999999999999991	-1.71999999999999997	3.0299999999999998	0.0189999999999999995	Very soluble	-0.469999999999999973	54	0.339000000000000024	Very soluble	-3.16000000000000014	0.111000000000000001	0.000697000000000000028	Soluble	High	Yes	No	Yes	No	No	No	No	-6.95999999999999996	0	1	0	0	1	0.550000000000000044
2145	224.25	C12H16O4	\N	\N	1	CCCC(=O)c1c(O)cc(c(c1O)C)OC	16	6	0.419999999999999984	4	4	2	61.75	66.7600000000000051	1.96999999999999997	2.60999999999999988	2.39999999999999991	1.12000000000000011	2.45999999999999996	2.10999999999999988	-2.89000000000000012	0.28999999999999998	0.00128999999999999991	Soluble	-3.66000000000000014	0.048899999999999999	0.000218000000000000013	Soluble	-2.91999999999999993	0.27200000000000002	0.00120999999999999992	Soluble	High	Yes	No	Yes	No	No	No	No	-5.80999999999999961	0	0	0	0	0	0.550000000000000044
2153	602.67999999999995	C37H34N2O6	\N	\N	1	CC(=CCc1c(O)c([C@@H]2CC(C)(C)Oc3c2c2[nH]c4ccccc4c(=O)c2c(c3)O)c(c2c1n(C)c1c(c2=O)cccc1)O)C	45	28	0.239999999999999991	3	6	4	180.689999999999998	124.780000000000001	4.01999999999999957	8.57000000000000028	7	3.08000000000000007	7.48000000000000043	6.03000000000000025	-9.24000000000000021	3.47999999999999993e-07	5.77999999999999969e-10	Poorly soluble	-11.0600000000000005	5.18999999999999966e-09	8.62000000000000002e-12	Insoluble	-10.5899999999999999	1.54999999999999998e-08	2.56999999999999991e-11	Insoluble	Low	No	No	No	No	No	No	No	-3.89000000000000012	1	4	0	1	2	0.550000000000000044
2160	317.379999999999995	C18H23NO4	\N	\N	1	CO[C@@]1(CC=C(C)C)[C@H](O)CCc2c1nc1occc1c2OC	23	9	0.5	4	5	1	88.4300000000000068	64.7199999999999989	3.35999999999999988	2.83999999999999986	3.22999999999999998	1.65999999999999992	3.56000000000000005	2.93000000000000016	-3.62000000000000011	0.0757000000000000034	0.000238000000000000012	Soluble	-3.85999999999999988	0.0441000000000000003	0.000138999999999999991	Soluble	-4.70999999999999996	0.00615999999999999968	1.94000000000000006e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.21999999999999975	0	0	0	0	0	0.550000000000000044
2167	231.289999999999992	C14H17NO2	\N	\N	1	CCCc1c(OC)c(=O)c2c(n1C)cccc2	17	10	0.359999999999999987	3	2	0	70.5400000000000063	31.2300000000000004	2.75	3.04000000000000004	2.5	1.6399999999999999	3.20000000000000018	2.62000000000000011	-3.43000000000000016	0.0865999999999999964	0.000375000000000000008	Soluble	-3.35999999999999988	0.101000000000000006	0.000435000000000000003	Soluble	-4.5	0.00730000000000000007	3.16000000000000024e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	No	No	-5.54999999999999982	0	0	0	0	0	0.550000000000000044
2174	309.319999999999993	C18H15NO4	\N	\N	1	COc1ccc2c(c1)n(C)c(cc2=O)c1ccc2c(c1)OCO2	23	16	0.170000000000000012	2	4	0	87.4599999999999937	49.6899999999999977	3.14000000000000012	3.12000000000000011	2.93999999999999995	1.64999999999999991	3.4700000000000002	2.87000000000000011	-4.11000000000000032	0.0241999999999999993	7.83000000000000059e-05	Moderately soluble	-3.83000000000000007	0.0454999999999999988	0.000146999999999999995	Soluble	-5.54999999999999982	0.000867999999999999956	2.8100000000000002e-06	Moderately soluble	High	Yes	No	Yes	No	Yes	Yes	Yes	-5.96999999999999975	0	0	0	0	0	0.550000000000000044
2187	241.289999999999992	C15H15NO2	\N	\N	1	Cn1c(=O)c2C=CC(Oc2c2c1cccc2)(C)C	18	10	0.270000000000000018	0	2	0	73.5900000000000034	31.2300000000000004	2.91999999999999993	2.16999999999999993	2.60999999999999988	2.62999999999999989	2.89999999999999991	2.64999999999999991	-3.10999999999999988	0.185999999999999999	0.000769000000000000044	Soluble	-2.45999999999999996	0.838999999999999968	0.00348000000000000002	Soluble	-4.04000000000000004	0.0218999999999999993	9.0799999999999998e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	No	No	-6.23000000000000043	0	0	0	0	0	0.550000000000000044
2195	323.339999999999975	C19H17NO4	\N	\N	1	Oc1cc2O[C@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1	24	14	0.320000000000000007	1	4	1	91.769999999999996	63.990000000000002	2.95999999999999996	3.25999999999999979	2.49000000000000021	1.52000000000000002	3.68000000000000016	2.7799999999999998	-4.25999999999999979	0.0176000000000000011	5.44000000000000009e-05	Moderately soluble	-4.28000000000000025	0.0171000000000000006	5.27000000000000003e-05	Moderately soluble	-4.98000000000000043	0.00341999999999999986	1.06000000000000002e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.95999999999999996	0	0	0	0	0	0.550000000000000044
2203	232.319999999999993	C14H20N2O	\N	\N	1	C=CC[C@H]1NC[C@H]2C[C@@H]1[C@H]1CC(=O)C=CN1C2	17	0	0.640000000000000013	2	2	1	75.8499999999999943	32.3400000000000034	2.37999999999999989	1.34000000000000008	0.569999999999999951	1.39999999999999991	1.32000000000000006	1.39999999999999991	-1.98999999999999999	2.35999999999999988	0.0102000000000000007	Very soluble	-1.62000000000000011	5.55999999999999961	0.0239000000000000011	Very soluble	-1.66999999999999993	4.92999999999999972	0.0212000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-6.76999999999999957	0	0	0	0	0	0.550000000000000044
2209	262.350000000000023	C15H22N2O2	\N	\N	1	O[C@H]1CCC=C2N1C(=O)[C@@H]1C[C@H]2CN2[C@H]1CCCC2	19	0	0.800000000000000044	0	3	1	80.269999999999996	43.7800000000000011	2.81999999999999984	0.910000000000000031	0.550000000000000044	1.70999999999999996	0.409999999999999976	1.28000000000000003	-2.04000000000000004	2.39000000000000012	0.00911999999999999963	Soluble	-1.40999999999999992	10.0999999999999996	0.0384999999999999995	Very soluble	-0.859999999999999987	36.5	0.139000000000000012	Soluble	High	Yes	Yes	No	No	No	No	No	-7.25	0	0	0	0	0	0.550000000000000044
2216	246.349999999999994	C15H22N2O	\N	\N	1	O=C1CCC=C2N1C[C@@H]1C[C@H]2CN2[C@H]1CCCC2	18	0	0.800000000000000044	0	2	0	79.1099999999999994	23.5500000000000007	2.74000000000000021	1.29000000000000004	1.23999999999999999	2.16000000000000014	1.33000000000000007	1.75	-2.18000000000000016	1.62999999999999989	0.00661000000000000042	Soluble	-1.37999999999999989	10.1999999999999993	0.0413000000000000034	Very soluble	-1.65999999999999992	5.33999999999999986	0.0217000000000000005	Soluble	High	Yes	No	No	No	No	No	No	-6.88999999999999968	0	0	0	0	0	0.550000000000000044
2223	250.379999999999995	C15H26N2O	\N	\N	1	O[C@H]1CCCN2[C@H]1[C@H]1C[C@@H](C2)[C@H]2N(C1)CCCC2	18	0	1	0	3	1	80.5499999999999972	26.7100000000000009	2.89999999999999991	1.57000000000000006	0.550000000000000044	2	0.760000000000000009	1.56000000000000005	-2.37999999999999989	1.04000000000000004	0.00415000000000000004	Soluble	-1.73999999999999999	4.54000000000000004	0.0181000000000000015	Very soluble	-0.989999999999999991	25.6999999999999993	0.102999999999999994	Soluble	High	Yes	No	No	No	No	No	No	-6.70999999999999996	0	0	0	0	0	0.550000000000000044
2232	386.610000000000014	C25H42N2O	\N	\N	1	CN[C@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2=C)NC)C)C	28	0	0.92000000000000004	3	3	3	116.969999999999999	44.2899999999999991	4.19000000000000039	4.79000000000000004	4.12000000000000011	4.12999999999999989	4.15000000000000036	4.28000000000000025	-5.05999999999999961	0.00338999999999999978	8.78000000000000064e-06	Moderately soluble	-5.45000000000000018	0.00136999999999999991	3.53000000000000008e-06	Moderately soluble	-5.5	0.00121999999999999995	3.15999999999999981e-06	Moderately soluble	High	Yes	Yes	No	No	No	No	No	-5.25999999999999979	0	0	0	0	0	0.550000000000000044
2934	427.963599999999985	C25H30NO3. Cl	Treatment of urinary incontinence	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2240	345.560000000000002	C23H39NO	\N	\N	1	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](N(C)C)C)C)C1)C	25	0	0.910000000000000031	2	2	1	107.280000000000001	23.4699999999999989	3.97999999999999998	5.25999999999999979	4.87999999999999989	4.58999999999999986	3.74000000000000021	4.49000000000000021	-5.16000000000000014	0.00237000000000000014	6.84999999999999964e-06	Moderately soluble	-5.5	0.00109000000000000004	3.14999999999999991e-06	Moderately soluble	-3.87999999999999989	0.0456000000000000016	0.00013200000000000001	Soluble	High	Yes	No	No	No	No	Yes	No	-4.66999999999999993	1	0	0	0	1	0.550000000000000044
2250	430.670000000000016	C27H46N2O2	\N	\N	1	N[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]1[C@@H]2[C@H](C)[C@@H]2[C@](O1)(O)C[C@H](CN2)C)C)C	31	0	1	0	4	3	130.409999999999997	67.5100000000000051	4.00999999999999979	4.98000000000000043	3.91999999999999993	4.23000000000000043	2.85000000000000009	4	-5.65000000000000036	0.000970000000000000051	2.25000000000000006e-06	Moderately soluble	-6.13999999999999968	0.000313999999999999989	7.29999999999999999e-07	Poorly soluble	-4.21999999999999975	0.0261000000000000017	6.06999999999999982e-05	Moderately soluble	High	Yes	Yes	No	No	No	No	No	-5.38999999999999968	1	2	0	0	0	0.550000000000000044
2256	509.629999999999995	C27H43NO8	\N	\N	1	C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@]([C@]2(C)O)(O)[C@@H](O)C[C@@]2([C@@]1(O)C[C@]13[C@H]2CC[C@H]2[C@]3(C)CC[C@@H]([C@]2(O1)O)O)O	36	0	1	0	9	7	133.099999999999994	154.080000000000013	2.81000000000000005	-1.20999999999999996	-0.910000000000000031	0.220000000000000001	-0.260000000000000009	0.130000000000000004	-2.24000000000000021	2.95000000000000018	0.00579000000000000001	Soluble	-1.53000000000000003	15	0.0293999999999999991	Very soluble	-0.859999999999999987	70.5	0.138000000000000012	Soluble	Low	No	Yes	No	No	No	No	No	-10.2699999999999996	2	4	1	1	2	0.170000000000000012
2263	305.370000000000005	C17H23NO4	\N	\N	1	OC[C@@H](c1ccccc1)C(=O)O[C@H]1C[C@@H]2C[C@@H]([C@H](C1)N2C)O	22	6	0.589999999999999969	5	5	2	85.6700000000000017	70	2.75	0.859999999999999987	0.520000000000000018	1.18999999999999995	1.1399999999999999	1.29000000000000004	-2.14999999999999991	2.18000000000000016	0.00713000000000000005	Soluble	-1.90999999999999992	3.72999999999999998	0.0122000000000000008	Very soluble	-2.12000000000000011	2.33000000000000007	0.00764000000000000009	Soluble	High	No	No	No	No	No	No	No	-7.54999999999999982	0	0	0	0	0	0.550000000000000044
2270	273.410000000000025	C12H19NO2S2	\N	\N	1	O=C([C@H]1SSCC1)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C	17	0	0.92000000000000004	3	3	0	76.730000000000004	80.1400000000000006	2.85000000000000009	2.20999999999999996	1.92999999999999994	1.87999999999999989	1.83000000000000007	2.14000000000000012	-2.72999999999999998	0.510000000000000009	0.00186000000000000011	Soluble	-3.5299999999999998	0.0811999999999999944	0.000297000000000000009	Soluble	-1.3600000000000001	11.9000000000000004	0.0435999999999999999	Soluble	High	No	No	No	No	No	No	No	-6.40000000000000036	0	0	0	0	0	0.550000000000000044
2277	185.219999999999999	C9H15NO3	\N	\N	1	O[C@H]1C[C@@H]2CC[C@H]([C@H]1C(=O)O)N2C	13	0	0.890000000000000013	1	4	2	50.8900000000000006	60.7700000000000031	1.47999999999999998	-1.80000000000000004	-0.469999999999999973	0.149999999999999994	-0.479999999999999982	-0.220000000000000001	0.209999999999999992	302	1.62999999999999989	Highly soluble	1.04000000000000004	2030	11	Highly soluble	0.57999999999999996	704	3.79999999999999982	Soluble	High	No	No	No	No	No	No	No	-8.71000000000000085	0	1	0	0	1	0.550000000000000044
2284	153.219999999999999	C9H15NO	\N	\N	1	O=C1C[C@@H]2CCC[C@H](C1)N2C	11	0	0.890000000000000013	0	2	0	48.1599999999999966	20.3099999999999987	1.92999999999999994	0.699999999999999956	0.819999999999999951	1.07000000000000006	1.43999999999999995	1.18999999999999995	-1.22999999999999998	9	0.0587999999999999981	Very soluble	-0.699999999999999956	30.3000000000000007	0.198000000000000009	Very soluble	-1.22999999999999998	8.96000000000000085	0.0585000000000000034	Soluble	High	Yes	No	No	No	No	No	No	-6.74000000000000021	0	1	0	0	1	0.550000000000000044
2291	422.379999999999995	C20H22O10	\N	\N	1	COc1cc2C[C@@](O)(CO)[C@]([C@H](c2cc1O)c1cc(O)c(c(c1)OC)O)(O)C(=O)O	30	12	0.349999999999999978	5	10	7	102.359999999999999	177.139999999999986	1.95999999999999996	0.930000000000000049	0.0500000000000000028	-0.969999999999999973	0.640000000000000013	0.520000000000000018	-3.00999999999999979	0.411999999999999977	0.00097599999999999998	Soluble	-4.24000000000000021	0.0245000000000000009	5.80000000000000003e-05	Moderately soluble	-2.25999999999999979	2.33999999999999986	0.00553000000000000019	Soluble	Low	No	Yes	No	No	No	No	No	-8.22000000000000064	1	0	1	1	2	0.110000000000000001
2299	536.57000000000005	C30H32O9	\N	\N	1	COc1cc2c(c(c1OC)OC)c1c(cc3c(c1OC)OCO3)C[C@@H]([C@]([C@H]2OC(=O)c1ccccc1)(C)O)C	39	18	0.369999999999999996	7	9	1	142.960000000000008	101.909999999999997	4.15000000000000036	5.01999999999999957	4.62999999999999989	2.58000000000000007	5.07000000000000028	4.29000000000000004	-6.20999999999999996	0.000331999999999999993	6.17999999999999949e-07	Poorly soluble	-6.90000000000000036	6.75000000000000009e-05	1.2599999999999999e-07	Poorly soluble	-8	5.38000000000000016e-06	1.00000000000000002e-08	Poorly soluble	High	No	Yes	No	No	Yes	Yes	No	-6.00999999999999979	1	3	0	0	1	0.550000000000000044
2307	418.439999999999998	C22H26O8	\N	\N	1	COc1cc(cc(c1O)OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(c(c1)OC)O	30	12	0.450000000000000011	6	8	2	107.890000000000001	95.8400000000000034	3.52000000000000002	2.22999999999999998	2.56000000000000005	0.560000000000000053	2.7799999999999998	2.33000000000000007	-3.74000000000000021	0.0763000000000000067	0.000182000000000000006	Soluble	-3.87999999999999989	0.0553999999999999979	0.00013200000000000001	Soluble	-4.40000000000000036	0.0166999999999999996	3.97999999999999984e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-7.26999999999999957	0	0	0	0	0	0.550000000000000044
2314	164.159999999999997	C9H8O3	\N	\N	1	O=C/C=C/c1ccc(c(c1)O)O	12	6	0	2	3	2	45.5900000000000034	57.5300000000000011	1.14999999999999991	1.09000000000000008	1.19999999999999996	0.739999999999999991	1.5	1.1399999999999999	-1.78000000000000003	2.70999999999999996	0.0165000000000000008	Very soluble	-1.8899999999999999	2.10999999999999988	0.0129	Very soluble	-1.28000000000000003	8.66999999999999993	0.0527999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-6.53000000000000025	0	0	0	0	1	0.550000000000000044
2323	206.319999999999993	C14H22O	\N	\N	1	CC(=O)/C=C/[C@H]1C(=CC[C@@H](C1(C)C)C)C	15	0	0.640000000000000013	2	1	0	66.2900000000000063	17.0700000000000003	2.87999999999999989	3.20999999999999996	3.75999999999999979	3.20999999999999996	3.52000000000000002	3.31999999999999984	-3.00999999999999979	0.202000000000000013	0.00097799999999999992	Soluble	-3.24000000000000021	0.118999999999999995	0.00057499999999999999	Soluble	-2.81000000000000005	0.322000000000000008	0.00155999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-5.28000000000000025	0	0	0	0	1	0.550000000000000044
2330	136.22999999999999	C10H16	\N	\N	1	CC1=CC[C@@H]2[C@H](C1)C2(C)C	10	0	0.800000000000000044	0	0	0	45.2199999999999989	0	2.62999999999999989	4.37999999999999989	3	4.29000000000000004	2.79000000000000004	3.41999999999999993	-3.43999999999999995	0.0490000000000000019	0.000360000000000000023	Soluble	-4.09999999999999964	0.0109	8.00999999999999954e-05	Moderately soluble	-2.22999999999999998	0.80600000000000005	0.00591999999999999992	Soluble	Low	Yes	No	No	No	Yes	No	No	-4.01999999999999957	1	1	0	0	2	0.550000000000000044
2336	154.25	C10H18O	\N	\N	1	C=C[C@](CCC=C(C)C)(O)C	11	0	0.599999999999999978	4	1	1	50.4399999999999977	20.2300000000000004	2.70000000000000018	2.9700000000000002	2.66999999999999993	2.58999999999999986	2.35000000000000009	2.66000000000000014	-2.39999999999999991	0.608999999999999986	0.00395000000000000039	Soluble	-3.06000000000000005	0.135000000000000009	0.000875000000000000018	Soluble	-1.84000000000000008	2.20000000000000018	0.0143000000000000002	Soluble	High	Yes	No	No	No	No	No	No	-5.12999999999999989	0	1	0	0	2	0.550000000000000044
2343	154.25	C10H18O	\N	\N	1	CC(=C)[C@@H]1CC[C@H]([C@@H](C1)O)C	11	0	0.800000000000000044	1	1	1	48.759999999999998	20.2300000000000004	2.43999999999999995	3.20999999999999996	2.35999999999999988	2.29999999999999982	2.06000000000000005	2.47999999999999998	-2.75	0.27300000000000002	0.00177000000000000009	Soluble	-3.31000000000000005	0.076100000000000001	0.000492999999999999949	Soluble	-1.48999999999999999	5.04999999999999982	0.0326999999999999999	Soluble	High	Yes	No	No	No	No	No	No	-4.95999999999999996	0	1	0	0	2	0.550000000000000044
2349	154.25	C10H18O	\N	\N	1	CC(=C)[C@H]1CC[C@@H]([C@H](C1)O)C	11	0	0.800000000000000044	1	1	1	48.759999999999998	20.2300000000000004	2.47999999999999998	3.20999999999999996	2.35999999999999988	2.29999999999999982	2.06000000000000005	2.47999999999999998	-2.75	0.27300000000000002	0.00177000000000000009	Soluble	-3.31000000000000005	0.076100000000000001	0.000492999999999999949	Soluble	-1.48999999999999999	5.04999999999999982	0.0326999999999999999	Soluble	High	Yes	No	No	No	No	No	No	-4.95999999999999996	0	1	0	0	2	0.550000000000000044
2356	350.410000000000025	C21H22N2O3	\N	\N	1	C/C=C\\1/CN2[C@H]3C[C@@H]1[C@@]([C@@H]2Cc1c3[nH]c2c1cccc2)(C=O)C(=O)OC	26	9	0.429999999999999993	3	4	1	102.329999999999998	62.3999999999999986	2.64000000000000012	1.8899999999999999	2.06999999999999984	2.04999999999999982	3.39999999999999991	2.41000000000000014	-3.25999999999999979	0.192000000000000004	0.000547999999999999985	Soluble	-2.81999999999999984	0.527000000000000024	0.00150000000000000003	Soluble	-4.53000000000000025	0.0103000000000000001	2.94999999999999988e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	Yes	-7.09999999999999964	0	0	0	0	0	0.550000000000000044
2365	346.329999999999984	C15H22O9	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@H]2O[C@H]2[C@H]3O)C)[C@@H]([C@H]([C@@H]1O)O)O	24	0	0.869999999999999996	3	9	5	75.4399999999999977	141.370000000000005	1.80000000000000004	-2.43999999999999995	-2.56000000000000005	-2.18999999999999995	-2.31000000000000005	-1.54000000000000004	-0.25	194	0.560000000000000053	Very soluble	0.0100000000000000002	356	1.03000000000000003	Highly soluble	2.45999999999999996	101000	290	Soluble	Low	No	Yes	No	No	No	No	No	-10.1500000000000004	0	1	1	1	1	0.550000000000000044
2372	351.420000000000016	C21H23N2O3	\N	\N	1	C=C[C@H]1C=[N+]2CCc3c([C@@H]2C[C@@H]1/C(=C/O)/C(=O)OC)[nH]c1c3cccc1	26	9	0.330000000000000016	4	3	2	106.859999999999999	65.3299999999999983	-1.23999999999999999	2.68000000000000016	2.58000000000000007	1.97999999999999998	2.64000000000000012	1.72999999999999998	-3.70000000000000018	0.0701999999999999985	0.00020000000000000001	Soluble	-3.70000000000000018	0.0694000000000000034	0.000197999999999999988	Soluble	-4.34999999999999964	0.0158000000000000015	4.50999999999999985e-05	Moderately soluble	High	Yes	Yes	No	No	No	No	No	-6.54000000000000004	0	0	0	0	0	0.560000000000000053
2379	354.439999999999998	C21H26N2O3	\N	\N	1	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@](C1)(CCCN2CC4)[C@H](O)C)cccc3	26	6	0.569999999999999951	3	4	2	106.090000000000003	61.7999999999999972	3.12000000000000011	2.33999999999999986	1.45999999999999996	2.29000000000000004	2.54000000000000004	2.35000000000000009	-3.47999999999999998	0.116000000000000006	0.000328000000000000004	Soluble	-3.2799999999999998	0.187	0.00052800000000000004	Soluble	-4.44000000000000039	0.0129	3.64999999999999995e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.79999999999999982	0	0	0	0	0	0.550000000000000044
2935	324.32729999999998	C19H16O5	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2387	491.490000000000009	C24H29NO10	\N	\N	1	C=C[C@H]1[C@@H](OC=C2[C@H]1C[C@@H]1N(C2=O)CCc2c1cc(O)c(c2)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	35	6	0.540000000000000036	4	10	6	122.840000000000003	169.379999999999995	1.51000000000000001	-0.46000000000000002	-1.30000000000000004	-1.17999999999999994	-1.25	-0.540000000000000036	-2.45999999999999996	1.69999999999999996	0.00346999999999999999	Soluble	-2.62999999999999989	1.14999999999999991	0.00234000000000000007	Soluble	0.0899999999999999967	605	1.22999999999999998	Soluble	Low	No	Yes	No	No	No	No	No	-9.61999999999999922	2	2	1	1	2	0.110000000000000001
2395	332.430000000000007	C20H28O4	\N	\N	1	OC(=O)[C@H]1[C@H]2[C@@]([C@H]3[C@]41CC(=C)[C@@H](C4)CC3)(C)CCC[C@@]2(C)C(=O)O	24	0	0.800000000000000044	2	4	2	92.0900000000000034	74.5999999999999943	1.70999999999999996	3.87000000000000011	3.95999999999999996	3.62000000000000011	3.10999999999999988	3.25	-4.20999999999999996	0.0206000000000000003	6.21000000000000051e-05	Moderately soluble	-5.12999999999999989	0.00243999999999999989	7.34999999999999993e-06	Moderately soluble	-2.95999999999999996	0.36399999999999999	0.00109000000000000004	Soluble	High	Yes	Yes	No	No	Yes	No	No	-5.58000000000000007	0	0	0	0	0	0.560000000000000053
2402	332.389999999999986	C19H24O5	\N	\N	1	C=C1C[C@@]23C[C@H]1CC[C@H]3[C@@]13[C@H]([C@@H]2C(=O)O)[C@@](C)([C@H](CC1)O)C(=O)O3	24	0	0.790000000000000036	1	5	2	86.1400000000000006	83.8299999999999983	2.06999999999999984	1.67999999999999994	2.14000000000000012	2.56000000000000005	2.2200000000000002	2.12999999999999989	-2.89000000000000012	0.424999999999999989	0.0012800000000000001	Soluble	-3.04999999999999982	0.292999999999999983	0.000880999999999999947	Soluble	-2.29999999999999982	1.67999999999999994	0.00506000000000000026	Soluble	High	No	Yes	No	No	No	No	No	-7.12999999999999989	0	0	0	0	0	0.560000000000000053
2410	288.470000000000027	C20H32O	\N	\N	1	OC[C@]1(C)CCC[C@@]2([C@@H]1CC[C@@]13[C@H]2CC[C@H](C3)C(=C)C1)C	21	0	0.900000000000000022	1	1	1	89.7099999999999937	20.2300000000000004	3.37000000000000011	5.5	4.95000000000000018	4.86000000000000032	4.80999999999999961	4.70000000000000018	-5.03000000000000025	0.00271000000000000017	9.38999999999999988e-06	Moderately soluble	-5.67999999999999972	0.000598000000000000007	2.07000000000000009e-06	Moderately soluble	-4.58000000000000007	0.00768000000000000019	2.65999999999999994e-05	Moderately soluble	High	Yes	No	No	Yes	Yes	No	No	-4.15000000000000036	1	0	0	0	2	0.550000000000000044
2417	272.470000000000027	C20H32	\N	\N	1	CC(C1=CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCCC1(C)C)C	20	0	0.800000000000000044	1	0	0	90.4399999999999977	0	3.95999999999999996	6.25999999999999979	6.13999999999999968	5.82000000000000028	5.24000000000000021	5.48000000000000043	-5.41000000000000014	0.00106999999999999999	3.91999999999999974e-06	Moderately soluble	-6.04999999999999982	0.000243999999999999995	8.97000000000000052e-07	Poorly soluble	-4.76999999999999957	0.00464999999999999962	1.70999999999999989e-05	Moderately soluble	Low	No	No	No	Yes	Yes	No	No	-3.52000000000000002	1	1	0	1	2	0.550000000000000044
2425	272.470000000000027	C20H32	\N	\N	1	CC1=CCC[C@@]2([C@@H]1C[C@@H]1CCC(=C(C1(C)C)CC2)C)C	20	0	0.800000000000000044	0	0	0	90.4399999999999977	0	3.68000000000000016	5.69000000000000039	6.29000000000000004	5.82000000000000028	5.38999999999999968	5.37000000000000011	-5.11000000000000032	0.00209999999999999987	7.68999999999999922e-06	Moderately soluble	-5.45999999999999996	0.000953999999999999987	3.49999999999999995e-06	Moderately soluble	-5.21999999999999975	0.00164999999999999999	6.07000000000000033e-06	Moderately soluble	Low	No	No	No	Yes	Yes	No	No	-3.91999999999999993	1	1	0	1	2	0.550000000000000044
2431	166.219999999999999	C10H14O2	\N	\N	1	CC(=C)[C@H]1CCC(=CC1)C(=O)O	12	0	0.5	2	2	1	48.8900000000000006	37.2999999999999972	2	3.18999999999999995	2.37000000000000011	1.97999999999999998	1.87000000000000011	2.2799999999999998	-2.75	0.296999999999999986	0.00178999999999999992	Soluble	-3.64000000000000012	0.0376999999999999974	0.000226999999999999988	Soluble	-1.27000000000000002	8.99000000000000021	0.0541000000000000023	Soluble	High	Yes	No	No	No	No	No	No	-5.04999999999999982	0	0	0	0	1	0.560000000000000053
2440	595.529999999999973	C30H27O13	\N	\N	1	O=C(OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(cc1)O	43	22	0.200000000000000011	8	13	8	149.669999999999987	219.740000000000009	-2.41999999999999993	0.719999999999999973	2.24000000000000021	-0.699999999999999956	-0.23000000000000001	-0.0800000000000000017	-3.83999999999999986	0.0868000000000000022	0.000145999999999999998	Soluble	-4.91000000000000014	0.00728000000000000001	1.22000000000000001e-05	Moderately soluble	-3.06000000000000005	0.521000000000000019	0.000875000000000000018	Soluble	Low	No	No	No	No	No	No	No	-9.41999999999999993	3	2	1	1	3	0.170000000000000012
2446	274.269999999999982	C15H14O5	\N	\N	1	Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2C[C@H]1O)O	20	12	0.200000000000000011	1	5	4	72.3100000000000023	90.1500000000000057	1.51000000000000001	0.719999999999999973	1.52000000000000002	0.790000000000000036	1.46999999999999997	1.19999999999999996	-2.37000000000000011	1.15999999999999992	0.00425000000000000031	Soluble	-2.18999999999999995	1.76000000000000001	0.00642999999999999995	Soluble	-2.7200000000000002	0.519000000000000017	0.00188999999999999997	Soluble	High	No	Yes	No	No	No	No	No	-7.45999999999999996	0	0	0	0	0	0.550000000000000044
2459	194.180000000000007	C10H10O4	\N	\N	1	O=C/C=C/c1cc(O)c(c(c1)OC)O	14	6	0.100000000000000006	3	4	2	52.0799999999999983	66.7600000000000051	1.77000000000000002	1.07000000000000006	1.20999999999999996	0.46000000000000002	1.55000000000000004	1.20999999999999996	-1.84000000000000008	2.83000000000000007	0.0145000000000000007	Very soluble	-2.06000000000000005	1.67999999999999994	0.00864000000000000011	Soluble	-1.41999999999999993	7.42999999999999972	0.0383000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-6.71999999999999975	0	0	0	0	1	0.550000000000000044
2465	192.300000000000011	C13H20O	\N	\N	1	CC(=O)/C=C/[C@@H]1C(=CCCC1(C)C)C	14	0	0.619999999999999996	2	1	0	61.4799999999999969	17.0700000000000003	2.81000000000000005	3.85000000000000009	3.50999999999999979	2.93999999999999995	3.41000000000000014	3.31000000000000005	-3.33000000000000007	0.0908000000000000057	0.00047199999999999998	Soluble	-3.89999999999999991	0.0239000000000000011	0.000125000000000000003	Soluble	-2.64999999999999991	0.432999999999999996	0.00224999999999999983	Soluble	High	Yes	No	No	No	Yes	No	No	-4.74000000000000021	0	0	0	0	2	0.550000000000000044
2472	363.449999999999989	C23H25NO3	\N	\N	1	COc1cc(C)c(c2c1c(O)ccc2)c1ccc(c2c1C[C@@H](C)N[C@@H]2C)O	27	16	0.299999999999999989	2	4	3	113.840000000000003	61.7199999999999989	3.31999999999999984	4.66000000000000014	4.12999999999999989	3	4.71999999999999975	3.9700000000000002	-5.33999999999999986	0.00168000000000000007	4.61999999999999981e-06	Moderately soluble	-5.67999999999999972	0.000754000000000000004	2.07000000000000009e-06	Moderately soluble	-7.09999999999999964	2.87999999999999987e-05	7.9300000000000002e-08	Poorly soluble	High	Yes	Yes	No	Yes	No	Yes	Yes	-5.20999999999999996	0	0	0	0	0	0.550000000000000044
2480	183.25	C10H17NO2	\N	\N	1	CC(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C	13	0	0.900000000000000022	2	3	0	54.0499999999999972	29.5399999999999991	2.10000000000000009	1.33000000000000007	0.790000000000000036	1.31000000000000005	0.910000000000000031	1.29000000000000004	-1.67999999999999994	3.81000000000000005	0.020799999999999999	Very soluble	-1.55000000000000004	5.13999999999999968	0.0281	Very soluble	-0.930000000000000049	21.6000000000000014	0.117999999999999994	Soluble	High	Yes	No	No	No	No	No	No	-6.46999999999999975	0	0	0	0	1	0.550000000000000044
2488	288.25	C15H12O6	\N	\N	1	Oc1ccc(cc1)[C@H]1[C@H](O)Oc2c(C1=O)c(O)cc(c2)O	21	12	0.130000000000000004	1	6	4	72.730000000000004	107.219999999999999	1.42999999999999994	2.04000000000000004	1.47999999999999998	0.299999999999999989	1.14999999999999991	1.28000000000000003	-3.27000000000000002	0.154999999999999999	0.000537999999999999958	Soluble	-3.91999999999999993	0.0347000000000000017	0.000120000000000000003	Soluble	-2.60999999999999988	0.711999999999999966	0.00246999999999999997	Soluble	High	No	No	No	No	No	No	No	-6.61000000000000032	0	0	0	0	0	0.550000000000000044
2494	464.379999999999995	C21H20O12	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	33	16	0.28999999999999998	4	12	8	110.159999999999997	210.509999999999991	2.18000000000000016	0.359999999999999987	-0.540000000000000036	-2.58999999999999986	-0.589999999999999969	-0.239999999999999991	-3.04000000000000004	0.422999999999999987	0.000910000000000000002	Soluble	-4.34999999999999964	0.0210000000000000013	4.50999999999999985e-05	Moderately soluble	-1.51000000000000001	14.3000000000000007	0.030800000000000001	Soluble	Low	No	Yes	No	No	No	No	No	-8.88000000000000078	2	1	1	1	3	0.170000000000000012
2503	626.519999999999982	C27H30O17	\N	\N	1	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	44	16	0.440000000000000002	7	17	11	142.539999999999992	289.660000000000025	1.6399999999999999	-1.22999999999999998	-2.70999999999999996	-4.62000000000000011	-2.70000000000000018	-1.92999999999999994	-2.75999999999999979	1.10000000000000009	0.00175000000000000004	Soluble	-4.36000000000000032	0.0275000000000000001	4.39000000000000032e-05	Moderately soluble	0.28999999999999998	1220	1.94999999999999996	Soluble	Low	No	Yes	No	No	No	No	No	-11	3	4	1	1	4	0.170000000000000012
2509	275.339999999999975	C16H21NO3	\N	\N	1	CO[C@H]1CC=C2[C@]3(C1)N(CC2)CCC1=C3CC(=O)OC1	20	0	0.689999999999999947	1	4	0	78.8400000000000034	38.7700000000000031	2.70999999999999996	-0.0100000000000000002	1.42999999999999994	1.87000000000000011	2.16999999999999993	1.62999999999999989	-1.46999999999999997	9.23000000000000043	0.033500000000000002	Very soluble	-0.349999999999999978	122	0.442000000000000004	Very soluble	-2.60999999999999988	0.677000000000000046	0.00245999999999999995	Soluble	High	Yes	Yes	No	No	No	No	No	-7.99000000000000021	0	0	0	0	0	0.550000000000000044
2517	330.420000000000016	C20H26O4	\N	\N	1	OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@@H](C5)CC4)CCC[C@@]2(C)C(=O)OC3	24	0	0.800000000000000044	1	4	1	89.4899999999999949	63.6000000000000014	2.12000000000000011	3.25	3.41000000000000014	3.62000000000000011	3.35999999999999988	3.14999999999999991	-3.87000000000000011	0.0446000000000000008	0.000135000000000000002	Soluble	-4.25999999999999979	0.0182000000000000009	5.5000000000000002e-05	Moderately soluble	-3.37999999999999989	0.137000000000000011	0.000415000000000000004	Soluble	High	Yes	Yes	No	No	No	No	No	-6.00999999999999979	0	0	0	0	0	0.560000000000000053
2524	432.420000000000016	C22H24O9	\N	\N	1	COc1c(OC)cc(cc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC	31	16	0.320000000000000007	8	9	0	113.359999999999999	94.8199999999999932	4.12999999999999989	2.97999999999999998	3.52000000000000002	0.0400000000000000008	4.37000000000000011	3.00999999999999979	-4.25	0.0241999999999999993	5.58999999999999967e-05	Moderately soluble	-4.62999999999999989	0.0100000000000000002	2.32000000000000015e-05	Moderately soluble	-6.91999999999999993	5.25999999999999978e-05	1.22000000000000007e-07	Poorly soluble	High	No	No	No	No	Yes	No	No	-6.82000000000000028	0	0	0	0	0	0.550000000000000044
2936	374.36790000000002	C17H14N2O6S	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2937	441.476999999999975	C19H23N3O2. C4H4O4	Oxytocic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2938	634.606199999999944	C31H35N2O11. Na	Antibacterial	C12609	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2532	338.350000000000023	C20H18O5	\N	\N	1	CC(=C)[C@H]1Oc2c(C1)cc1c(c2)OC[C@@]2([C@H]1Oc1c2ccc(c1)O)O	25	12	0.299999999999999989	1	5	2	91.0100000000000051	68.1500000000000057	3.02000000000000002	3.75	2.54999999999999982	1.89999999999999991	3.37999999999999989	2.91999999999999993	-4.58999999999999986	0.00871000000000000073	2.57000000000000013e-05	Moderately soluble	-4.87000000000000011	0.00453000000000000017	1.34000000000000005e-05	Moderately soluble	-4.69000000000000039	0.00691999999999999994	2.05000000000000002e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.70000000000000018	0	0	0	0	0	0.550000000000000044
2541	448.680000000000007	C28H48O4	\N	\N	1	O[C@@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H]([C@H]([C@@H]([C@H](C(C)C)C)O)O)C)C)C	32	0	0.959999999999999964	5	4	3	131.419999999999987	77.7600000000000051	4.04000000000000004	5.66999999999999993	4.83999999999999986	3.87999999999999989	4.79999999999999982	4.63999999999999968	-5.86000000000000032	0.000613999999999999962	1.37000000000000001e-06	Moderately soluble	-7.07000000000000028	3.83999999999999983e-05	8.55000000000000046e-08	Poorly soluble	-3.79999999999999982	0.0718000000000000027	0.000160000000000000013	Soluble	High	No	Yes	No	No	No	No	No	-5.00999999999999979	0	2	0	0	1	0.550000000000000044
2548	222.370000000000005	C15H26O	\N	\N	1	C[C@H]1CCC=C(C)CC[C@H](C=C1)C(O)(C)C	16	0	0.729999999999999982	1	1	1	72.3599999999999994	20.2300000000000004	3.08000000000000007	3.62999999999999989	4.08999999999999986	3.56000000000000005	2.95999999999999996	3.45999999999999996	-3.43999999999999995	0.0807999999999999968	0.000362999999999999987	Soluble	-3.74000000000000021	0.0401999999999999996	0.000181000000000000009	Soluble	-2.52000000000000002	0.679000000000000048	0.00305000000000000019	Soluble	High	Yes	No	No	No	No	No	No	-5.08000000000000007	0	0	0	0	1	0.550000000000000044
2555	532.450000000000045	C25H24O13	\N	\N	1	COc1cc2c(cc1O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]1O)O)O)occ(c2=O)c1ccc(cc1)O	38	16	0.320000000000000007	9	13	5	126.900000000000006	202.419999999999987	1.47999999999999998	0.349999999999999978	0.380000000000000004	-1.55000000000000004	0.75	0.280000000000000027	-3.08000000000000007	0.444000000000000006	0.000832999999999999973	Soluble	-4.16999999999999993	0.0364000000000000018	6.83999999999999956e-05	Moderately soluble	-3.33000000000000007	0.25	0.000469000000000000016	Soluble	Low	No	Yes	No	No	No	No	No	-9.30000000000000071	2	1	1	1	2	0.110000000000000001
2562	300.259999999999991	C16H12O6	\N	\N	1	Oc1ccc2c(c1)OC[C@H](C2=O)c1cc2OCOc2cc1O	22	12	0.190000000000000002	1	6	2	75.6099999999999994	85.2199999999999989	1.89999999999999991	2.16999999999999993	2.18999999999999995	0.819999999999999951	2.41000000000000014	1.89999999999999991	-3.41000000000000014	0.117999999999999994	0.000391999999999999987	Soluble	-3.58999999999999986	0.0767000000000000043	0.000255000000000000018	Soluble	-3.72999999999999998	0.0553000000000000019	0.000184	Soluble	High	No	Yes	Yes	No	No	Yes	Yes	-6.58999999999999986	0	0	0	0	0	0.550000000000000044
2711	339.389999999999986	C20H21NO4	\N	\N	1	COc1cc2c(cc1OC)C[C@H]1c3c2c2OCOc2cc3CCN1C	25	12	0.400000000000000022	2	5	0	98.019999999999996	40.1599999999999966	3.5299999999999998	3.24000000000000021	2.47999999999999998	2.37999999999999989	3.79000000000000004	3.08000000000000007	-4.20999999999999996	0.0210000000000000013	6.19000000000000003e-05	Moderately soluble	-3.75999999999999979	0.0594000000000000014	0.000174999999999999998	Soluble	-5.49000000000000021	0.00111000000000000009	3.27000000000000003e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-6.07000000000000028	0	0	0	0	0	0.550000000000000044
2720	276.279999999999973	C15H16O5	\N	\N	1	Cc1cc(=O)c2c(o1)cc1c(c2O)C[C@@H](C(O1)(C)C)O	20	10	0.400000000000000022	0	5	2	74.4399999999999977	79.9000000000000057	2.75999999999999979	2.12000000000000011	1.87999999999999989	0.479999999999999982	2.81999999999999984	2.00999999999999979	-3.25999999999999979	0.151999999999999996	0.000550999999999999949	Soluble	-3.43000000000000016	0.102999999999999994	0.000371999999999999989	Soluble	-3.95000000000000018	0.0309999999999999998	0.000111999999999999998	Soluble	High	No	No	Yes	No	No	No	No	-6.48000000000000043	0	0	0	0	0	0.550000000000000044
2725	492.519999999999982	C25H32O10	\N	\N	1	OC[C@H]1O[C@@H](OC[C@]23CC[C@@H]4[C@@]([C@@H]3CC=CC2=O)(C)C[C@H](OC4=O)c2cocc2)[C@@H]([C@H]([C@@H]1O)O)O	35	5	0.680000000000000049	5	10	4	118.670000000000002	155.889999999999986	2.79000000000000004	0.100000000000000006	0.309999999999999998	-0.709999999999999964	0.599999999999999978	0.619999999999999996	-2.72999999999999998	0.912000000000000033	0.00185000000000000008	Soluble	-2.93000000000000016	0.57999999999999996	0.00118000000000000006	Soluble	-2	4.96999999999999975	0.0100999999999999996	Soluble	Low	No	Yes	No	No	No	No	No	-9.23000000000000043	0	1	1	1	1	0.550000000000000044
2856	122.124600000000001	C6H6N2O	Vitamin [enzyme co-factor]	C00153	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2857	123.109399999999994	C6H5NO2	Antihyperlipidemic, Vitamin [enzyme co-factor]	C00253	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2858	286.408500000000004	C19H26O2	\N	C00280	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2859	156.265199999999993	C10H20O	Pharmaceutic aid (flavor)	C00400	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2860	270.366100000000017	C18H22O2	Estrogen	C00468	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2861	288.424399999999991	C19H28O2	Androgen	C00535	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2862	\N	\N	Crude drug	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2863	152.233399999999989	C10H16O	Antipruritic	C18369	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2864	303.352899999999977	C17H21NO4	Anesthetic (topical), Narcotic	C01416	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2865	584.652500000000032	C29H44O12	Cardiotonic	C01443	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2866	289.369399999999985	C17H23NO3	Mydriatic, Anticholinergic	C01479	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2867	165.232200000000006	C10H15NO	Bronchodilator	C01575	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2868	588.556600000000003	C29H32O13	Antineoplastic	C01576	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2869	303.352899999999977	C17H21NO4	Mydriatic, Anticholinergic	C01851	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2870	216.18950000000001	C12H8O4	Pigmentation agent	C01864	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2871	316.477599999999995	C21H32O2	\N	C01953	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2872	289.369399999999985	C17H23NO3	Anticholinergic	C02046	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2873	246.301600000000008	C15H18O3	Anthelminthic	C02206	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2874	470.683800000000019	C30H46O4	\N	C02283	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2875	822.932099999999991	C42H62O16	\N	C02284	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2876	176.168700000000001	C10H8O3	Choleretic	C03081	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2877	\N	\N	Crude drug	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2878	664.563300000000027	C27H30O16. 3H2O	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2879	136.234000000000009	C10H16	\N	C06099	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2880	317.379500000000007	C18H21NO3. H2O	Antitussive, Narcotic, Analgesic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2881	275.346099999999979	C15H21N3O2	Cholinergic (ophthalmic)	C06535	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2882	608.678700000000049	C33H40N2O9	Antihypertensive, Antipsychotic	C06539	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2883	634.716000000000008	C35H42N2O9	Antihypertensive	C06540	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2884	326.432599999999979	C20H26N2O2	Antiarrhythmic	C06542	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2885	308.283299999999997	C15H14O6. H2O	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2886	420.426400000000001	(C7H8N4O2)2. C2H8N2	Relaxant [smooth muscle]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2887	362.345500000000015	C17H32NO2. Br	Antispasmodic, Anticholinergic	C06830	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2888	226.227399999999989	C14H10O3	Antipsoriatic	C06831	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2889	380.863999999999976	C23H21ClO3	Estrogen	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2890	764.939100000000053	C41H64O13	Cardiotonic	C06955	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2891	780.938499999999976	C41H64O14	Cardiotonic	C06956	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2892	180.163999999999987	C7H8N4O2	Bronchodilator	C07130	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2893	201.693099999999987	C10H15NO. HCl	Adrenergic [vasoconstrictor]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2894	853.906100000000038	C47H51NO14	Antineoplastic	C07394	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2895	208.256900000000002	C11H16N2O2	Antiglaucoma, Cholinergic (ophthalmic)	C07474	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2896	512.330199999999991	C23H14O11. 2Na	Anti-asthmatic [prophylactic]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2897	194.190599999999989	C8H10N4O2	Stimulant (central)	C07481	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2898	330.309799999999996	C19H15O4. Na	Anticoagulant, vitamin K antagonist	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2899	399.437000000000012	C22H25NO6	Suppressant [gout]	C07592	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2900	268.350199999999973	C18H20O2	Estrogen	C07620	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2901	189.639399999999995	C8H11NO2. HCl	Cardiotonic, Dopamine receptor agonist	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2902	377.904899999999998	C21H27NO3. HCl	Cardiac depressant [anti-arrhythmic]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2903	520.572000000000003	C20H24N2O2. C6H12O7	Cardiac depressant [anti-arrhythmic]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2904	\N	C20H24N2O2. (C6H10O7)mon	Antiarrhythmic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2905	455.503600000000006	C20H25N3O2. C4H4O4	Oxytocic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2906	398.291499999999985	C18H24NO4. Br	Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2907	427.920500000000004	C24H25NO4. HCl	Relaxant [smooth muscle]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2940	346.418299999999988	C19H15O4. K	Anticoagulant, vitamin K antagonist	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2941	359.846600000000024	C20H21NO3. HCl	Stimulant [respiratory]	C12717	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2942	280.317799999999977	C18H16O3	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2943	201.693099999999987	C10H15NO. HCl	Bronchodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2944	213.231899999999996	C13H11NO2	\N	C12865	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2945	361.905500000000018	C21H27NO2. HCl	Antiarrhythmic	C12886	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2946	440.371199999999988	C21H30NO4. Br	Antispasmodic, Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2947	212.205900000000014	C8H10N4O2. H2O	Stimulant (central)	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2948	399.375299999999982	C18H23NO3. H3PO4	Narcotic, Antitussive	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2949	532.509599999999978	C28H38NO4. Br	Antispasmodic, Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2950	341.829799999999977	C17H23NO4. HCl	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2951	535.800200000000018	C35H53NO3	Vitamin E supplement	C12981	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2952	465.966999999999985	C24H31NO6. HCl	Anticoagulant, platelet aggregation inhibitor	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2953	270.366100000000017	C18H22O2	\N	C13101	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2954	384.307900000000018	C18H26NO3. Br	Anticholinergic	C13109	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2955	549.410999999999945	C21H25BrN2O3. C4H4O4	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2956	396.479399999999998	C23H28N2O4	Antimalarial	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2957	223.268300000000011	C12H17NO3	\N	C13138	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2958	262.197799999999972	C7H8N4O2. C2H3O2. Na	Bronchodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2959	397.892999999999972	C20H27NO5. HCl	Vasodilator [coronary]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2960	810.72059999999999	C42H30N6O12	Vasodilator [peripheral]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2961	509.573599999999999	C29H36NO5P	Antineoplastic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2962	490.431600000000003	C19H22NO4S2. Br. H2O	Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2963	412.317999999999984	C19H26NO4. Br	Bronchodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2964	215.719699999999989	C11H17NO. HCl	Bronchodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2965	450.523500000000013	C27H30O6	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2966	429.4846	C18H24NO4. CH3SO4	Antispasmodic, Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2967	381.850599999999986	C19H23NO5. HCl	Bronchodilator, beta2-Sympathomimetic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2968	625.581900000000019	(C17H17NO2)2. 2HCl. H2O	Antiparkinsonian, Emetic, Dopamine receptor agonist	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2969	283.326799999999992	C7H7N4O2. C5H14NO	Bronchodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2970	320.813800000000015	C17H20N2O2. HCl	Anti-emetic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2971	694.832599999999957	(C17H23NO3)2. H2SO4. H2O	Antispasmodic, Mydriatic, Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2972	370.281400000000019	C17H24NO3. Br	Mydriatic, Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2973	438.310699999999997	C17H21NO4. 3H2O. HBr	Antispasmodic, Midriatic, Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2974	812.734100000000012	(C18H21NO3)2. 2H3PO4. H2O	Antitussive, Narcotic, Analgesic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2975	215.719699999999989	C11H17NO. HCl	Bronchodilator	C13639	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2976	\N	\N	Antiperistaltic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2977	284.352899999999977	C17H20N2O2	Anti-emetic	C13666	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2978	517.402799999999957	C22H28N4O6. 2HCl	Antineoplastic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2979	862.739100000000008	C42H38O20	Laxative	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2980	\N	C22H23NO7. HCl. xH2O	Antitussive	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2981	339.81389999999999	C17H21NO4. HCl	Anesthetic (topical), Narcotic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2982	923.036100000000033	C46H56N4O10. H2SO4	Antineoplastic	C13974	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2983	244.717899999999986	C11H16N2O2. HCl	Miotic, Cholinergic (ophthalmic)	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2984	373.916200000000003	C22H27NO2. HCl	Respiratory stimulant	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2985	404.327999999999975	C19H23NO3. 2HCl. H2O	Narcotic, Analgesic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2986	771.721599999999967	C37H41N2O6. 5H2O. HCl. Cl	Neuromuscular blocking agent	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2987	430.37639999999999	C20H30NO3. Br. H2O	Bronchodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2988	375.846000000000004	C20H21NO4. HCl	Smooth muscle relaxant, Antispasmodic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2989	422.535199999999975	C15H26N2. H2SO4. 5H2O	Oxytocic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2990	396.908299999999997	C20H24N2O2. 2H2O. HCl	Antimalarial	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2991	782.94259999999997	(C20H24N2O2)2. H2SO4. 2H2O	Antimalarial	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2992	\N	C28H34N5O5R. CH4SO3	Cognition adjuvant	C14055	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2993	375.844400000000007	C17H19NO3. 3H2O. HCl	Narcotic, Analgesic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2994	782.94259999999997	(C20H24N2O2)2. H2SO4. 2H2O	Cardiac depressant [anti-arrhythmic]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2995	1110.07850000000008	C55H59N5O20	Antibacterial	C05073	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2996	337.455300000000022	C22H27NO2	Respiratory stimulant	C07475	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2997	338.293799999999976	C8H10N4O2. C7H5O2. Na	Stimulant (central)	C13403	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2998	496.409600000000012	C24H29FNO3. Br. H2O	Bronchodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
2999	413.46690000000001	C15H21N3O2. C7H6O3	Cholinergic (ophthalmic)	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3000	282.3322	C15H22O5	Antimalarial	C09538	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3001	363.668200000000013	C18H13Cl3N2	Antifungal, Ergosterol biosynthesis inhibitor	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3002	652.645099999999957	C33H36N2O12	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3003	\N	(C12H18N. Cl)n	Antihyperlipidemic, Ion-exchange resin [bile salts]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3004	656.653699999999958	C32H32O13S	Antineoplastic	C11153	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3005	438.301100000000019	C21H20ClNO5. HCl	Antineoplastic [cyclin-dependent kinase inhibitor]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3006	532.586000000000013	C22H28N4O4. (C2H4O2)2	Antineoplastic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3007	337.798000000000002	C17H19NO4. HCl	Photochemical trearment [light-activated psoralen derivative intended for use in the inactivation of viruses, bacteria, and leukocytes in platelet concentrates and fresh frozen plasma in blood bank settings]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3008	241.2851	C15H15NO2	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3009	314.206999999999994	C15H17Cl2NO2	Anti-emetic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3010	536.872600000000034	C40H56	Ultraviolet screen	C02094	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3011	443.321000000000026	C16H20Cl2N2O. C4H4O4	Antiparkinsonian, Dopamine reuptake inhibitor	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3012	\N	(C20H18NO4)2. SO4. xH2O	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3013	162.231599999999986	C10H14N2	Smoking cessation adjunct	C00745	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3014	750.852800000000002	(C18H21NO3)2. H2SO4. 3H2O	Antitussive, Narcotic, Analgesic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3015	410.501199999999983	C22H34O7	Antiglaucoma agent	C09076	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3016	1133.06819999999993	C55H59N5O20. Na	Antibacterial	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3017	336.295000000000016	C19H12O6	Anticoagulant	C00796	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3018	384.307900000000018	C18H26NO3. Br	Antispasmodic, Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3019	451.466999999999985	C18H23NO3. C4H6O6	Narcotic, Analgesic, Antitussive	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3020	648.770800000000008	(C15H21N3O2)2. H2SO4	Cholinergic (ophthalmic)	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3021	350.493800000000022	C24H30O2	Antikeratinizing agent	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3022	387.51400000000001	C26H29NO2	Antineoplastic	C14296	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3023	579.637500000000045	C26H29NO2. C6H8O7	Antineoplastic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3024	653.629900000000021	C33H35NO13	Antineoplastic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3025	553.560799999999972	C29H40N2O4. 2HCl	Antiprotozoal, Emetic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3026	242.288099999999986	C16H15FO	Anti-asthmatic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3027	\N	\N	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3028	428.542899999999975	(C10H15NO)2. H2SO4	Adrenergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3029	396.585399999999993	C25H32O2S	Keratolytic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3030	321.455899999999986	C22H27NO	Antiparkinsonian, Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3031	248.320799999999991	C12H16N2. C2H4O2	Stimulant [central]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3032	154.249300000000005	C10H18O	\N	C09844	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3033	469.483799999999974	C21H23NO4. C4H4O4	Antihypertensive	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3034	1064.47900000000004	C53H69ClN2O14. 2Cl	Neuromuscular blocking agent	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3035	\N	\N	Dental restoration agent	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3036	370.281400000000019	C17H23NO3. HBr	Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3037	523.448399999999992	C28H30INO	Antineoplastic, Hormone, Estrogen receptor antagonist	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3038	385.240000000000009	C16H20INO2	Diagnostic aid	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3039	300.355599999999981	C16H20N4O2	Anti-anxiety agent, Antidepressant, Anti-emetic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3040	698.579600000000028	(C15H16O9)2. H2O	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3041	\N	\N	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3042	\N	\N	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3043	\N	\N	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3044	156.265199999999993	C10H20O	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3045	\N	\N	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3046	164.201099999999997	C10H12O2	\N	C09904	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3047	137.135999999999996	C7H7NO2	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3048	399.865799999999979	C19H23NO5. HCl. H2O	Bronchodilator, beta2-Sympathomimetic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3049	509.593999999999994	C24H31N3O2. C4H4O4	Anti-anxiety agent	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3050	498.435799999999972	(C4H6O6)2. C10H14N2. 2H2O	Treatment of smoking withdrawal syndrome	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3051	\N	\N	Smoking cessation adjunct	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3052	636.645700000000033	C27H28N2O4. C6H8O7	Antiestrogen	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3053	463.438199999999995	C22H34N2O4. 2HCl	Hemostatic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3054	169.177799999999991	C8H11NO3	Adrenergic [ophthalmic]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3055	280.789699999999982	C10H16O. C6H5ClO	Anti-infective, topical [dental]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3056	391.287699999999973	C21H20Cl2O3	Insecticide, Ectoparasiticide	C14388	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3057	271.269799999999975	C11H16N2O2. HNO3	Cholinergic (ophthalmic)	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3058	414.405300000000011	C22H22O8	Antimitotic, Antineoplastic, Antiviral	C10874	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3059	416.550299999999993	C25H36O5	Non-hormonal sterol derivative	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3060	302.321799999999996	C17H18O5	Anti-allergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3061	428.542899999999975	(C10H15NO)2. H2SO4	Decongestant	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3062	676.664999999999964	C20H24N2O2. (C6H8O6)2	Smoking cessation ajunct	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3063	517.763500000000022	C30H47NO4S	Topical antibiotic for secondarily infected traumatic lesions (SITL) and secondarily infected dermatoses (SID) or impetigo	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3064	367.782500000000027	C20H14NO4. Cl	Antifungal, Anti-inflammatory, Antimicrobial	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3065	649.521200000000022	C25H21BrF3N4O4S. K	Antihypertensive	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3066	451.384200000000021	C22H30NO. I	Antispasmodic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3067	352.294500000000028	C10H8O10S2	Hemostatic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3068	382.558800000000019	C24H30O2S	Keratolytic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3069	457.537699999999973	C20H28NO4. CH3SO4	Anticholinergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3070	198.179300000000012	C7H8N4O2. H2O	Bronchodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3071	277.212400000000002	C7H8N4O2. C2H4NO2. Na	Relaxant [smooth muscle], Bronchodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3072	306.333700000000022	C15H14O5S	Anti-atherosclerotic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3073	302.301899999999989	C15H10O5S	Anti-allergic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3074	761.837200000000053	C39H43N3O11S	Antineoplastic	C16875	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3075	209.670500000000004	C8H15NO3. HCl	Antineoplastic, Chemoprotectant	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3076	309.831000000000017	C17H23NO2. HCl	Serotonin receptor antagonist [specific in migraine]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3077	1715.99499999999989	(C46H56N4O9)2. H2SO4	Antineoplastic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3078	320.271900000000016	C17H13O5. Na	Bronchodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3079	434.446300000000008	C13H21N5O4. C6H5NO2	Vasodilator [peripheral]	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3080	464.939200000000028	C19H25ClN2O2. C4H4O4	Antimigraine	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3081	152.233399999999989	C10H16O	\N	C00808	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3082	387.51400000000001	C26H29NO2	Antineoplastic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3083	513.665499999999952	C29H41F2N5O	Antiviral, CCR5 antagonist	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3084	390.903700000000015	C21H26N2O3. HCl	alfa2-Adrenergic blocking	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3085	353.325499999999977	C19H15NO6	Anticoagulant, Vitamin K antagonist	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3086	307.386199999999974	C20H21NO2	Antispasmodic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3087	438.3553	C21H28NO4. Br	Parasympatholytic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3088	240.210900000000009	C14H8O4	Laxative, cathartic	C10312	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3089	408.357599999999991	C22H16O8	Anticoagulant	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3090	542.544399999999996	C33H25F3O4	rodenticide	C18696	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3091	447.331000000000017	C22H16Cl2O4S	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3092	395.877099999999984	C20H26ClNO5	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3093	654.570100000000025	C29H34O17	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3094	742.675200000000018	C33H42O19	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3095	637.784400000000005	C39H45N2O6	Neuromuscular blocking	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3096	495.525899999999979	C29H25N3O5	Narcotic, Analgesic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3097	369.411000000000001	C21H23NO5	Opioid analgesic	C06534	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3098	331.406099999999981	C19H25NO4	Insecticide	C18373	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3099	333.466600000000028	C23H27NO	Histamine, H1-receptor antagonist	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3100	500.540900000000022	C26H32N2O8	Antiallergic, Antihistaminic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3101	323.385600000000011	C20H21NO3	\N	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3102	339.384999999999991	C20H21NO4	Antispasmodic, Vasodilator	C06533	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3103	776.848600000000033	(C20H21NO4)2. H2SO4	Antispasmodic, Vasodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3104	267.322400000000016	C17H17NO2	Antiparkinsonian, Emetic, Impotency agent, Dopamine receptor agonist,	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3105	307.429300000000012	C21H25NO	Antiparkinsonian, Central antichlolinergic	C06846	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3106	216.18950000000001	C12H8O4	Dermatological, melanizing	C01557	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3107	433.338799999999992	C21H25BrN2O3	Vasodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3108	379.877700000000004	C20H25NO4. HCl	Antitussive	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3109	386.314099999999996	C8H10N4O2. C6H8O7	Stimulant (central), Analeptic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3110	361.432099999999991	C20H27NO5	Coronary vasodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3111	151.205600000000004	C9H13NO	Appetite suppressant	C08300	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3112	187.666599999999988	C9H13NO. HCl	Appetite suppressant	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3113	190.152199999999993	C10H6O4	Vascular protectant	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3114	263.289100000000019	C10H6O4. C4H11N	Vascular protectant	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3115	405.959600000000023	C26H28ClNO	Gonadotropin stimulant, Anti-estrogen	C06917	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3116	432.338099999999997	C20H26ClNO5. HCl	Anticoagulant, platelet aggregation inhibitor, Vasodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3117	335.825199999999995	C18H22NO3. Cl	Antitussive, Narcotic, Analgesic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3118	362.765600000000006	C14H16ClO5PS	Anthelmintic (veterinary), Antiparasitic (veterinary), AChE inhibitor	C11025	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3119	146.142699999999991	C9H6O2	Drug acting on the complex of varicose symptoms, Vascular protectant	C05851	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3120	468.366499999999974	C23H16O11	Antiallergic	C06928	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3121	416.297199999999975	C22H19Cl2NO3	Insecticide, Pediculocide, Sodium channel modulator	C10984	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3122	190.241700000000009	C11H14N2O	Analeptic (TN)	C10763	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3123	525.590100000000007	C23H27NO. C6H8O7	Histamine, H1-receptor antagonist	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3124	497.555200000000013	C28H32FNO6	Adrenal cortex hormone, glucocorticoid	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3125	405.872000000000014	C21H23NO5. HCl	Antitussive, Opioid analgesic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3126	516.237300000000005	C18H18O8P2. 4Na	Estrogen	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3127	301.380100000000027	C18H23NO3	Narcotic, Antitussive, Analgesic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3128	360.470500000000015	C18H23NO3. CHNS	Antitussive, Opioid analgesic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3129	707.836199999999963	C35H41N5O5. CH4SO3	Vasodilator, peripheric, alfa-Adrenergic blocking	C13168	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3130	611.730500000000006	C35H41N5O5	Vasodilator, peripheric, alfa-Adrenergic blocking	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3131	323.385600000000011	C20H21NO3	Analeptic, Respiratory stimulant	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3132	608.544700000000034	C28H32O15	Drug acting on the complex of varicose symptoms, Vascular protectant	C10039	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3133	153.178400000000011	C8H11NO2	Cardiotonic, Dopamine receptor agonist	C03758	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3134	325.44459999999998	C21H27NO2	Coronary vasodilator	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3135	395.491399999999999	C24H29NO4	Antispasmodic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3136	431.95229999999998	C24H29NO4. HCl	Antispasmodic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3137	313.390800000000013	C19H23NO3	Antitussive, Opioid analgesic	C07537	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3138	326.432599999999979	C20H26N2O2	Antiarrhythmic	C10696	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3139	362.893599999999992	C20H26N2O2. HCl	Antiarrhythmic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3140	152.150599999999997	C7H8N2O2	Choleretic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3141	586.677999999999997	C33H38N4O6	Antineoplastic	C16641	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3142	232.278300000000002	C13H16N2O2	Cerebroprotective, Sedative-hypnotic, Anticonvulsant, Melatonin receptor agonist	C01598	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3143	523.584100000000035	C17H23N3O. C9H10N4O4	Antiallergic, Histamine, H1-receptor antagonist	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3144	179.258800000000008	C11H17NO	Antiasthmatic, Sympathomimetic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3145	285.337699999999984	C17H19NO3	Narcotic, Analgesic	C01516	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3146	720.762200000000007	(C17H19NO3)2. C4H6O6	Narcotic, Analgesic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3147	407.344600000000014	C20H26N2O2. HBr	Antiprotozoal, antimalarial, Dermatological, demelanizing, Muscle relaxant	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3148	326.432599999999979	C20H26N2O2	Antiprotozoal, Antimalarial, Dermatological, Demelanizing, Muscle relaxant	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3149	531.986800000000017	C29H25N3O5. HCl	Narcotic, Analgesic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3150	151.162599999999998	C8H9NO2	Vitamin B-complex	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3151	442.440200000000004	C16H18FN3O3. C6H5NO2	Antibacterial, Nucleic acid biosynthesis inhibitor	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3152	\N	C11H16N2O2. xH3BO3	Parasympathomimetic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3153	165.232200000000006	C10H15NO	Sympathomimetic	C02765	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3154	324.416800000000023	C20H24N2O2	Antiarrhythmic, Antiprotozoal, Antimalarial	C06527	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3155	556.652000000000044	C20H24N2O2. C12H12N2O3	Antiarrhythmic, Antiprotozoal, antimalarial	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3156	324.416800000000023	C20H24N2O2	Antimalarial, Antipyretic	C06526	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3157	397.338599999999985	C20H24N2O2. 2HCl	Antimalarial, Antipyretic	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3158	352.426899999999989	C21H24N2O3	Vasodilator	C09024	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3159	681.645200000000045	C37H42N2O6. 2Cl	Neuromuscular blocking	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3160	810.974100000000021	C46H58N4O9	Antineoplastic, Antimitotic	C07201	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3161	354.442700000000002	C21H26N2O3	Vasodilator, cerebral	C09251	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3162	390.903700000000015	C21H26N2O3. HCl	Vasodilator, cerebral	\N	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3163	824.957599999999957	C46H56N4O10	Antineoplastic, Antimitotic	C07204	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3164	354.442700000000002	C21H26N2O3	alfa2-Adrenergic blocking	C09256	2	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
0	122.120000000000005	C6H6N2O	\N	\N	1	NC(=O)c1cccnc1	9	6	0	1	2	1	32.3299999999999983	55.9799999999999969	0.699999999999999956	-0.369999999999999996	0.179999999999999993	-0.429999999999999993	0.520000000000000018	0.119999999999999996	-0.790000000000000036	19.6999999999999993	0.162000000000000005	Very soluble	-0.340000000000000024	55.5	0.454000000000000015	Very soluble	-1.57000000000000006	3.29999999999999982	0.0269999999999999997	Soluble	High	No	No	No	No	No	No	No	-7.30999999999999961	0	3	0	0	1	0.550000000000000044
1	130.189999999999998	C5H14N4	\N	\N	1	NCCCCN=C(N)N	9	0	0.800000000000000044	4	2	3	37.9600000000000009	90.4200000000000017	0.530000000000000027	-1.55000000000000004	-1	-0.429999999999999993	-0.849999999999999978	-0.660000000000000031	0.589999999999999969	510	3.91999999999999993	Highly soluble	0.160000000000000003	187	1.43999999999999995	Highly soluble	-0.479999999999999982	43.2000000000000028	0.332000000000000017	Soluble	High	No	No	No	No	No	No	No	-8.1899999999999995	0	3	0	0	1	0.550000000000000044
2	386.649999999999977	C27H46O	\N	\N	1	CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)C	28	0	0.930000000000000049	5	1	1	123.609999999999999	20.2300000000000004	4.88999999999999968	8.72000000000000064	7.38999999999999968	6.33999999999999986	6.40000000000000036	6.75	-7.40000000000000036	1.54000000000000016e-05	3.96999999999999982e-08	Poorly soluble	-9.01999999999999957	3.64999999999999999e-07	9.44999999999999942e-10	Poorly soluble	-5.78000000000000025	0.00064800000000000003	1.6700000000000001e-06	Moderately soluble	Low	No	No	No	No	Yes	No	No	-2.4700000000000002	1	2	0	1	2	0.550000000000000044
3	913.67999999999995	C30H42N7O18P3S	\N	\N	1	O=C(NCCSC(=O)/C=C/c1ccc(cc1)O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	59	15	0.469999999999999973	24	21	10	204.150000000000006	438.589999999999975	-0.46000000000000002	-3.91000000000000014	-0.340000000000000024	-4.15000000000000036	-3.18999999999999995	-2.41000000000000014	-1.64999999999999991	20.6999999999999993	0.0225999999999999986	Very soluble	-4.70000000000000018	0.0181000000000000015	1.98000000000000002e-05	Moderately soluble	-1.08000000000000007	76.2999999999999972	0.0835999999999999938	Soluble	Low	No	Yes	No	No	No	No	No	-14.6500000000000004	3	3	2	1	6	0.110000000000000001
4	88.1099999999999994	C4H8O2	\N	\N	1	CCCC(=O)O	6	0	0.75	2	2	1	23.1099999999999994	37.2999999999999972	1.10000000000000009	0.790000000000000036	0.869999999999999996	0.489999999999999991	0.130000000000000004	0.680000000000000049	-0.75	15.5999999999999996	0.176999999999999991	Very soluble	-1.14999999999999991	6.17999999999999972	0.0700999999999999956	Very soluble	-0.349999999999999978	39.3999999999999986	0.448000000000000009	Soluble	High	Yes	No	No	No	No	No	No	-6.28000000000000025	0	3	0	0	2	0.560000000000000053
5	256.420000000000016	C16H32O2	\N	\N	1	CCCCCCCCCCCCCCCC(=O)O	18	0	0.939999999999999947	14	2	1	80.7999999999999972	37.2999999999999972	3.85000000000000009	7.16999999999999993	5.54999999999999982	4.19000000000000039	5.25	5.20000000000000018	-5.01999999999999957	0.00242999999999999987	9.49000000000000062e-06	Moderately soluble	-7.76999999999999957	4.31000000000000024e-06	1.68000000000000015e-08	Poorly soluble	-5.30999999999999961	0.00125000000000000003	4.87999999999999986e-06	Moderately soluble	High	Yes	No	Yes	No	Yes	No	No	-2.77000000000000002	1	0	1	0	1	0.560000000000000053
6	123.109999999999999	C6H5NO2	\N	\N	1	OC(=O)c1cccnc1	9	6	0	1	3	1	31.1999999999999993	50.1899999999999977	0.859999999999999987	0.359999999999999987	0.780000000000000027	-1.12999999999999989	0.75	0.320000000000000007	-1.26000000000000001	6.80999999999999961	0.0553000000000000019	Very soluble	-0.979999999999999982	12.9000000000000004	0.104999999999999996	Very soluble	-1.35000000000000009	5.45999999999999996	0.044400000000000002	Soluble	High	Yes	No	No	No	No	No	No	-6.79999999999999982	0	3	0	0	1	0.560000000000000053
7	136.110000000000014	C5H4N4O	\N	\N	1	O=c1nc[nH]c2c1[nH]cn2	10	9	0	0	3	2	34.509999999999998	74.4300000000000068	0.0599999999999999978	-1.1100000000000001	-0.349999999999999978	-0.770000000000000018	1.33000000000000007	-0.170000000000000012	-0.650000000000000022	30.3999999999999986	0.224000000000000005	Very soluble	0.0400000000000000008	148	1.09000000000000008	Highly soluble	-2.04000000000000004	1.23999999999999999	0.00907999999999999953	Soluble	High	No	No	No	No	No	No	No	-7.91999999999999993	0	3	0	0	1	0.550000000000000044
8	286.410000000000025	C19H26O2	\N	\N	1	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	21	0	0.790000000000000036	0	2	0	84.4000000000000057	34.1400000000000006	2.70999999999999996	2.75	4.08999999999999986	3.5	4.16999999999999993	3.43999999999999995	-3.35000000000000009	0.128000000000000003	0.000449000000000000018	Soluble	-3.12000000000000011	0.215999999999999998	0.000755000000000000029	Soluble	-4.17999999999999972	0.0189999999999999995	6.61999999999999964e-05	Moderately soluble	High	Yes	No	No	No	No	No	No	-6.08999999999999986	0	0	0	0	0	0.550000000000000044
10	314.20999999999998	C10H20O7P2	\N	\N	1	C/C(=C\\COP(=O)(OP(=O)(O)O)O)/CCC=C(C)C	19	0	0.599999999999999978	8	7	3	72.2199999999999989	132.909999999999997	1.29000000000000004	0.709999999999999964	2.91000000000000014	0.550000000000000044	0.469999999999999973	1.18999999999999995	-1.70999999999999996	6.16000000000000014	0.0195999999999999994	Very soluble	-3.08000000000000007	0.262000000000000011	0.000833999999999999997	Soluble	-0.209999999999999992	194	0.616999999999999993	Soluble	High	No	No	No	No	No	No	No	-7.70999999999999996	0	0	0	1	0	0.560000000000000053
11	450.439999999999998	C20H36O7P2	\N	\N	1	C/C(=C\\CC/C(=C/COP(=O)(OP(=O)(O)O)O)/C)/CC/C=C(/CCC=C(C)C)\\C	29	0	0.599999999999999978	14	7	3	119.340000000000003	132.909999999999997	2.89000000000000012	4.41999999999999993	6.36000000000000032	2.93000000000000016	4	4.12000000000000011	-4.49000000000000021	0.0145000000000000007	3.2100000000000001e-05	Moderately soluble	-6.92999999999999972	5.31000000000000032e-05	1.17999999999999998e-07	Poorly soluble	-2.68000000000000016	0.949999999999999956	0.0021099999999999999	Soluble	Low	No	Yes	No	Yes	Yes	No	No	-5.91000000000000014	0	1	1	2	0	0.560000000000000053
12	152.110000000000014	C5H4N4O2	\N	\N	1	O=c1[nH]c(=O)c2c([nH]1)nc[nH]2	11	9	0	0	3	3	37.3400000000000034	94.4000000000000057	0.0700000000000000067	-0.729999999999999982	-1.06000000000000005	-0.849999999999999978	1.45999999999999996	-0.220000000000000001	-0.930000000000000049	17.8999999999999986	0.117999999999999994	Very soluble	-0.780000000000000027	25.5	0.16700000000000001	Very soluble	-1.95999999999999996	1.65999999999999992	0.0109	Soluble	High	No	No	No	No	No	No	No	-7.75	0	4	0	0	1	0.550000000000000044
13	302.240000000000009	C15H10O7	\N	\N	1	Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O	22	16	0	1	7	5	78.0300000000000011	131.360000000000014	1.62999999999999989	1.54000000000000004	1.98999999999999999	-0.560000000000000053	1.54000000000000004	1.22999999999999998	-3.16000000000000014	0.210999999999999993	0.000698000000000000053	Soluble	-3.91000000000000014	0.0374000000000000027	0.000124000000000000005	Soluble	-3.24000000000000021	0.172999999999999987	0.00057300000000000005	Soluble	High	No	No	Yes	No	No	Yes	Yes	-7.04999999999999982	0	0	0	0	0	0.550000000000000044
14	160.219999999999999	C10H12N2	\N	\N	1	NCCc1c[nH]c2c1cccc2	12	9	0.200000000000000011	2	1	2	50.7800000000000011	41.8100000000000023	1.54000000000000004	0.699999999999999956	1.66999999999999993	1.26000000000000001	2.45999999999999996	1.53000000000000003	-1.69999999999999996	3.2200000000000002	0.0200999999999999998	Very soluble	-1.15999999999999992	11.1999999999999993	0.0699000000000000038	Very soluble	-3.7200000000000002	0.0303999999999999999	0.00019000000000000001	Soluble	High	Yes	No	Yes	No	No	No	No	-6.78000000000000025	0	0	0	0	1	0.550000000000000044
16	943.700000000000045	C31H44N7O19P3S	\N	\N	1	COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]2O[C@@H]([C@H]([C@H]2OP(=O)(O)O)O)n2cnc3c2ncnc3N)O)O)(C)C)O)ccc1O	61	15	0.479999999999999982	25	22	10	210.639999999999986	447.819999999999993	1.21999999999999997	-3.93999999999999995	-0.330000000000000016	-4.38999999999999968	-3.08000000000000007	-2.10000000000000009	-1.73999999999999999	17.1000000000000014	0.0182000000000000009	Very soluble	-4.87000000000000011	0.0128000000000000006	1.36000000000000002e-05	Moderately soluble	-1.14999999999999991	66.2000000000000028	0.0700999999999999956	Soluble	Low	No	Yes	No	No	No	No	No	-14.8499999999999996	3	3	2	1	6	0.110000000000000001
17	129.159999999999997	C6H11NO2	\N	\N	1	OC(=O)[C@@H]1CCCCN1	9	0	0.82999999999999996	1	3	2	37.3299999999999983	49.3299999999999983	1.15999999999999992	-2.31000000000000005	-0.170000000000000012	-2.20999999999999996	0.46000000000000002	-0.609999999999999987	0.880000000000000004	981	7.58999999999999986	Highly soluble	1.81000000000000005	8340	64.5999999999999943	Highly soluble	-0.419999999999999984	48.5	0.376000000000000001	Soluble	High	No	No	No	No	No	No	No	-8.73000000000000043	0	2	0	0	2	0.550000000000000044
18	973.730000000000018	C32H46N7O20P3S	\N	\N	1	COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@@H]2O[C@H]([C@H]([C@H]2OP(=O)(O)O)O)n2cnc3c2ncnc3N)O)O)(C)C)O)cc(c1O)OC	63	15	0.5	26	23	10	217.129999999999995	457.050000000000011	2.16000000000000014	-3.9700000000000002	-0.320000000000000007	-4.62999999999999989	-2.95999999999999996	-1.93999999999999995	-1.84000000000000008	14.1999999999999993	0.0146000000000000001	Very soluble	-5.03000000000000025	0.00910000000000000045	9.34000000000000036e-06	Moderately soluble	-1.22999999999999998	57.6000000000000014	0.0592000000000000026	Soluble	Low	No	Yes	No	No	No	No	No	-15.0600000000000005	3	3	2	1	6	0.110000000000000001
19	148.159999999999997	C9H8O2	\N	\N	1	OC(=O)/C=C/c1ccccc1	11	6	0	2	2	1	43.1099999999999994	37.2999999999999972	1.55000000000000004	2.12999999999999989	1.67999999999999994	1.89999999999999991	1.69999999999999996	1.79000000000000004	-2.37000000000000011	0.629000000000000004	0.00425000000000000031	Soluble	-2.54000000000000004	0.422999999999999987	0.0028500000000000001	Soluble	-1.84000000000000008	2.14000000000000012	0.0145000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-5.69000000000000039	0	2	0	0	1	0.560000000000000053
20	131.180000000000007	C5H13N3O	\N	\N	1	NCCCCNC(=O)N	9	0	0.800000000000000044	5	2	3	34.9500000000000028	81.1400000000000006	0.770000000000000018	-1.07000000000000006	-0.609999999999999987	-0.429999999999999993	-1.09000000000000008	-0.489999999999999991	0.349999999999999978	294	2.24000000000000021	Highly soluble	-0.140000000000000013	94	0.71599999999999997	Very soluble	-0.75	23.5	0.178999999999999992	Soluble	High	No	No	No	No	No	No	No	-7.86000000000000032	0	3	0	0	1	0.550000000000000044
21	382.329999999999984	C15H28O7P2	\N	\N	1	C/C(=C\\COP(=O)(OP(=O)(O)O)O)/CC/C=C(/CCC=C(C)C)\\C	24	0	0.599999999999999978	11	7	3	95.7800000000000011	132.909999999999997	1.68999999999999995	2.56000000000000005	4.62999999999999989	1.83000000000000007	2.18999999999999995	2.58000000000000007	-3.10000000000000009	0.305999999999999994	0.000799000000000000014	Soluble	-5	0.00383000000000000007	1.00000000000000008e-05	Moderately soluble	-1.44999999999999996	13.5	0.0354000000000000009	Soluble	Low	No	No	No	No	Yes	No	No	-6.80999999999999961	0	0	1	1	0	0.560000000000000053
23	464.629999999999995	C27H44O6	\N	\N	1	O[C@@H]([C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@H]1C2=CC(=O)[C@H]2[C@]1(C)C[C@H](O)[C@@H](C2)O)O)C)CCC(O)(C)C	33	0	0.890000000000000013	5	6	5	128.539999999999992	118.219999999999999	2.89999999999999991	1.68999999999999995	2.74000000000000021	1.92999999999999994	3.18999999999999995	2.49000000000000021	-3.45999999999999996	0.163000000000000006	0.000349999999999999996	Soluble	-3.79000000000000004	0.0758000000000000063	0.000163000000000000005	Soluble	-2.91999999999999993	0.552000000000000046	0.00119000000000000009	Soluble	High	No	Yes	No	No	No	No	No	-7.92999999999999972	0	1	0	0	0	0.550000000000000044
24	224.210000000000008	C11H12O5	\N	\N	1	COc1cc(/C=C/C(=O)O)cc(c1O)OC	16	6	0.179999999999999993	4	5	2	58.1199999999999974	75.9899999999999949	1.62999999999999989	1.45999999999999996	1.39999999999999991	0.729999999999999982	1.33000000000000007	1.31000000000000005	-2.16000000000000014	1.54000000000000004	0.00685999999999999978	Soluble	-2.66000000000000014	0.487999999999999989	0.00218000000000000008	Soluble	-1.55000000000000004	6.33000000000000007	0.0281999999999999994	Soluble	High	No	No	No	No	No	No	No	-6.62999999999999989	0	0	0	0	0	0.560000000000000053
25	137.180000000000007	C8H11NO	\N	\N	1	NCCc1ccc(cc1)O	10	6	0.25	2	2	2	40.9500000000000028	46.25	1.3600000000000001	1.10000000000000009	0.890000000000000013	1.20999999999999996	1.28000000000000003	1.16999999999999993	-1.69999999999999996	2.77000000000000002	0.0201999999999999992	Very soluble	-1.65999999999999992	2.9700000000000002	0.0217000000000000005	Very soluble	-2.24000000000000021	0.78400000000000003	0.0057099999999999998	Soluble	High	Yes	No	No	No	No	No	No	-6.36000000000000032	0	1	0	0	1	0.550000000000000044
26	272.25	C15H12O5	\N	\N	1	Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O	20	12	0.130000000000000004	1	5	3	71.5699999999999932	86.9899999999999949	1.75	2.52000000000000002	2.18999999999999995	0.709999999999999964	2.04999999999999982	1.84000000000000008	-3.49000000000000021	0.0874000000000000055	0.000320999999999999996	Soluble	-3.99000000000000021	0.0276999999999999989	0.000101999999999999999	Soluble	-3.41999999999999993	0.103999999999999995	0.000382000000000000015	Soluble	High	No	Yes	Yes	No	No	No	Yes	-6.16999999999999993	0	0	0	0	0	0.550000000000000044
27	136.22999999999999	C10H16	\N	\N	1	CC1=CC[C@H](CC1)C(=C)C	10	0	0.599999999999999978	1	0	0	47.1199999999999974	0	2.64000000000000012	4.57000000000000028	3.31000000000000005	3.27000000000000002	2.9700000000000002	3.35000000000000009	-3.5	0.0432999999999999982	0.000317999999999999978	Soluble	-4.29000000000000004	0.0069300000000000004	5.08999999999999972e-05	Moderately soluble	-2.25999999999999979	0.754000000000000004	0.00553000000000000019	Soluble	Low	Yes	No	No	No	Yes	No	No	-3.89000000000000012	0	1	0	0	2	0.550000000000000044
28	288.420000000000016	C19H28O2	\N	\N	1	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C	21	0	0.839999999999999969	0	2	1	85.3599999999999994	37.2999999999999972	2.89999999999999991	3.31999999999999984	3.87999999999999989	3.58999999999999986	3.58000000000000007	3.45999999999999996	-3.7200000000000002	0.0550000000000000003	0.000191000000000000008	Soluble	-3.7799999999999998	0.0478999999999999981	0.000165999999999999996	Soluble	-3.47999999999999998	0.0946000000000000035	0.000328000000000000004	Soluble	High	Yes	No	No	No	No	No	No	-5.70000000000000018	0	0	0	0	0	0.550000000000000044
29	897.67999999999995	C30H42N7O17P3S	\N	\N	1	O=C(NCCSC(=O)/C=C/c1ccccc1)CCNC(=O)[C@H](C(COP(=O)(OP(=O)(OC[C@@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O	58	15	0.469999999999999973	24	20	9	202.129999999999995	418.360000000000014	1.46999999999999997	-3.56000000000000005	-0.0500000000000000028	-3.7200000000000002	-2.74000000000000021	-1.71999999999999997	-1.77000000000000002	15.1999999999999993	0.0170000000000000012	Very soluble	-4.63999999999999968	0.0204000000000000015	2.27999999999999985e-05	Moderately soluble	-1.67999999999999994	18.6999999999999993	0.020799999999999999	Soluble	Low	No	Yes	No	No	No	No	No	-14.3000000000000007	3	3	2	1	6	0.110000000000000001
31	180.199999999999989	C10H12O3	\N	\N	1	OC/C=C/c1ccc(c(c1)OC)O	13	6	0.200000000000000011	3	3	2	51.0200000000000031	49.6899999999999977	2.16000000000000014	1.79000000000000004	1.30000000000000004	1.12999999999999989	1.70999999999999996	1.62000000000000011	-2.22999999999999998	1.06000000000000005	0.00591000000000000032	Soluble	-2.45000000000000018	0.63600000000000001	0.00353000000000000015	Soluble	-1.87000000000000011	2.43999999999999995	0.0134999999999999998	Soluble	High	Yes	No	No	No	No	No	No	-6.12999999999999989	0	0	0	0	1	0.550000000000000044
32	382.300000000000011	C15H10O10S	\N	\N	1	Oc1cc(O)c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(c(c1)O)O	26	16	0	3	10	5	88.230000000000004	183.110000000000014	0.869999999999999996	1.79000000000000004	2.54000000000000004	-1.01000000000000001	-0.0599999999999999978	0.82999999999999996	-3.60000000000000009	0.0971000000000000058	0.000253999999999999994	Soluble	-5.25	0.00212999999999999995	5.57000000000000003e-06	Moderately soluble	-2.85999999999999988	0.531000000000000028	0.00138999999999999996	Soluble	Low	No	No	Yes	No	No	No	No	-7.36000000000000032	0	0	1	1	1	0.110000000000000001
33	364.20999999999998	C10H13N4O9P	\N	\N	1	O=c1[nH]c(=O)c2c([nH]1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O	24	9	0.5	4	10	6	74.8299999999999983	209.800000000000011	-1.31000000000000005	-4.00999999999999979	-3.18000000000000016	-3.02000000000000002	-2.5	-2.79999999999999982	0.409999999999999976	946	2.60000000000000009	Highly soluble	0.200000000000000011	583	1.60000000000000009	Highly soluble	1.10000000000000009	4620	12.6999999999999993	Soluble	Low	No	No	No	No	No	No	No	-11.3699999999999992	2	1	1	1	3	0.110000000000000001
34	282.45999999999998	C18H34O2	\N	\N	1	CCCCCCCC/C=C\\CCCCCCCC(=O)O	20	0	0.82999999999999996	15	2	1	89.9399999999999977	37.2999999999999972	4.26999999999999957	7.63999999999999968	6.11000000000000032	4.57000000000000028	5.95000000000000018	5.70999999999999996	-5.41000000000000014	0.00109000000000000004	3.85000000000000041e-06	Moderately soluble	-8.25999999999999979	1.54000000000000008e-06	5.45999999999999976e-09	Poorly soluble	-5.38999999999999968	0.00113999999999999995	4.04000000000000028e-06	Moderately soluble	High	No	No	Yes	No	Yes	No	No	-2.60000000000000009	1	1	1	1	1	0.560000000000000053
36	162.22999999999999	C10H14N2	\N	\N	1	CN1CCC[C@H]1c1cccnc1	12	6	0.5	1	2	0	53.1300000000000026	16.129999999999999	2.04000000000000004	1.16999999999999993	1.1399999999999999	1.16999999999999993	1.8899999999999999	1.47999999999999998	-1.8899999999999999	2.10000000000000009	0.0129999999999999994	Very soluble	-1.10000000000000009	12.8000000000000007	0.0787000000000000061	Very soluble	-2.62000000000000011	0.393000000000000016	0.00241999999999999984	Soluble	High	Yes	No	No	No	No	No	No	-6.45999999999999996	0	0	0	0	1	0.550000000000000044
37	410.720000000000027	C30H50	\N	\N	1	C/C(=C\\CC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C)/CC/C=C(/CCC=C(C)C)\\C	30	0	0.599999999999999978	15	0	0	143.47999999999999	0	6.37000000000000011	11.5800000000000001	10.5999999999999996	7.92999999999999972	10.4100000000000001	9.38000000000000078	-8.6899999999999995	8.35000000000000052e-07	2.02999999999999981e-09	Poorly soluble	-11.5700000000000003	1.1100000000000001e-09	2.70999999999999996e-12	Insoluble	-7.48000000000000043	1.36999999999999993e-05	3.33000000000000004e-08	Poorly soluble	Low	No	No	No	No	No	No	No	-0.57999999999999996	1	3	1	1	2	0.550000000000000044
38	336.360000000000014	C20H18NO4	\N	\N	1	COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1	25	16	0.25	2	4	0	94.8700000000000045	40.7999999999999972	0	3.62000000000000011	3.10000000000000009	2.18999999999999995	3.74000000000000021	2.5299999999999998	-4.54999999999999982	0.00953000000000000028	2.83000000000000001e-05	Moderately soluble	-4.16000000000000014	0.0229999999999999996	6.84999999999999981e-05	Moderately soluble	-5.91999999999999993	0.000400000000000000019	1.19000000000000004e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-5.78000000000000025	0	0	0	0	0	0.550000000000000044
39	202.159999999999997	C11H6O4	\N	\N	1	O=c1ccc2c(o1)cc1c(c2O)cco1	15	13	0	0	4	1	54.2800000000000011	63.5799999999999983	1.69999999999999996	1.60000000000000009	2.24000000000000021	0.890000000000000013	2.39999999999999991	1.77000000000000002	-2.74000000000000021	0.365999999999999992	0.00180999999999999998	Soluble	-2.54999999999999982	0.573999999999999955	0.00284000000000000008	Soluble	-3.93000000000000016	0.0236999999999999988	0.000116999999999999998	Soluble	High	Yes	No	Yes	No	No	No	No	-6.40000000000000036	0	0	0	0	0	0.550000000000000044
40	342.339999999999975	C16H22O8	\N	\N	1	OC/C=C/c1ccc(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	24	6	0.5	6	8	5	83.1400000000000006	128.840000000000003	1.62000000000000011	-1.28000000000000003	-1.22999999999999998	-1.32000000000000006	-0.209999999999999992	-0.479999999999999982	-0.949999999999999956	38.7999999999999972	0.113000000000000003	Very soluble	-0.930000000000000049	40.3999999999999986	0.117999999999999994	Very soluble	-0.23000000000000001	201	0.585999999999999965	Soluble	High	No	No	No	No	No	No	No	-9.30000000000000071	0	1	0	0	0	0.550000000000000044
41	1229.30999999999995	C56H92O29	\N	\N	1	OC[C@@H]1O[C@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@@H]([C@]3(C[C@H]2O)C)CC[C@]2([C@H]4[C@H](O)[C@H]3[C@@H]2[C@@H]([C@]2(O3)CC[C@H](CO2)C)C)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O[C@H]1OC[C@H]([C@H]([C@H]1O)O)O)O)O)O	85	0	1	14	29	17	280.339999999999975	454.670000000000016	4	-3.91000000000000014	-6.5	-7.25	-7.55999999999999961	-4.25	-4.07000000000000028	0.103999999999999995	8.42000000000000002e-05	Moderately soluble	-5.04000000000000004	0.0111999999999999999	9.07999999999999946e-06	Moderately soluble	6	1240000000	1010000	Soluble	Low	No	Yes	No	No	No	No	No	-16.5700000000000003	3	4	2	1	6	0.170000000000000012
43	176.219999999999999	C10H12N2O	\N	\N	1	NCCc1c[nH]c2c1cc(O)cc2	13	9	0.200000000000000011	2	2	3	52.7999999999999972	62.0399999999999991	1.17999999999999994	1.48999999999999999	1.37000000000000011	0.650000000000000022	1.94999999999999996	1.33000000000000007	-2.25	0.986999999999999988	0.00559999999999999994	Soluble	-2.39999999999999991	0.700999999999999956	0.00398000000000000003	Soluble	-3.16000000000000014	0.122999999999999998	0.000698000000000000053	Soluble	High	Yes	No	No	No	No	No	No	-6.32000000000000028	0	0	0	0	1	0.550000000000000044
44	139.189999999999998	C8H13NO	\N	\N	1	CN1[C@@H]2CC[C@H]1CC(=O)C2	10	0	0.880000000000000004	0	2	0	43.3500000000000014	20.3099999999999987	1.80000000000000004	0.340000000000000024	0.429999999999999993	0.760000000000000009	1.18999999999999995	0.900000000000000022	-0.92000000000000004	16.8000000000000007	0.120999999999999996	Very soluble	-0.330000000000000016	65	0.467000000000000026	Very soluble	-0.939999999999999947	15.9000000000000004	0.114000000000000004	Soluble	High	No	No	No	No	No	No	No	-6.91000000000000014	0	1	0	0	1	0.550000000000000044
45	286.279999999999973	C16H14O5	\N	\N	1	COc1ccc(c(c1)O)[C@@H]1COc2c(C1=O)ccc(c2)O	21	12	0.190000000000000002	2	5	2	76.0400000000000063	75.9899999999999949	2.0299999999999998	2.33000000000000007	2.4700000000000002	0.959999999999999964	2.56999999999999984	2.06999999999999984	-3.37000000000000011	0.120999999999999996	0.000422999999999999982	Soluble	-3.56000000000000005	0.0779999999999999999	0.000271999999999999998	Soluble	-4.12000000000000011	0.0218999999999999993	7.66000000000000052e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	No	Yes	-6.38999999999999968	0	0	0	0	0	0.550000000000000044
46	336.29000000000002	C19H12O6	\N	\N	1	O=c1oc2ccccc2c(c1Cc1c(=O)oc2c(c1O)cccc2)O	25	20	0.0500000000000000028	2	6	2	92.019999999999996	100.879999999999995	2.27000000000000002	2.06999999999999984	2.89999999999999991	2.04000000000000004	3.83999999999999986	2.62000000000000011	-3.68999999999999995	0.0688	0.000204999999999999996	Soluble	-3.81999999999999984	0.0512000000000000025	0.000152000000000000008	Soluble	-6.57000000000000028	9.11000000000000053e-05	2.70999999999999978e-07	Poorly soluble	High	No	No	Yes	No	No	No	No	-6.87999999999999989	0	0	0	0	0	0.550000000000000044
47	152.22999999999999	C10H16O	\N	\N	1	O=C1C[C@@H]2C([C@@]1(C)CC2)(C)C	11	0	0.900000000000000022	0	1	0	45.6400000000000006	17.0700000000000003	2.12000000000000011	2.18999999999999995	2.39999999999999991	2.29999999999999982	2.85000000000000009	2.37000000000000011	-2.16000000000000014	1.04000000000000004	0.00685999999999999978	Soluble	-2.18000000000000016	1	0.00657000000000000032	Soluble	-2.60000000000000009	0.383000000000000007	0.0025200000000000001	Soluble	High	Yes	No	No	No	No	No	No	-5.66999999999999993	0	1	0	0	2	0.550000000000000044
49	164.159999999999997	C9H8O3	\N	\N	1	OC(=O)/C=C/c1ccc(cc1)O	12	6	0	2	3	2	45.1300000000000026	57.5300000000000011	0.949999999999999956	1.45999999999999996	1.37999999999999989	1.28000000000000003	1.21999999999999997	1.26000000000000001	-2.02000000000000002	1.58000000000000007	0.00965000000000000059	Soluble	-2.27000000000000002	0.872999999999999998	0.00532000000000000008	Soluble	-1.28000000000000003	8.66999999999999993	0.0527999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-6.25999999999999979	0	0	0	0	1	0.560000000000000053
50	284.259999999999991	C16H12O5	\N	\N	1	COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O	21	16	0.0599999999999999978	2	5	2	78.4599999999999937	79.9000000000000057	2.54999999999999982	2.99000000000000021	2.87999999999999989	0.770000000000000018	3.0299999999999998	2.43999999999999995	-3.91999999999999993	0.0342999999999999972	0.000121	Soluble	-4.33000000000000007	0.0131999999999999999	4.66000000000000011e-05	Moderately soluble	-5.09999999999999964	0.00224999999999999983	7.9100000000000005e-06	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-5.91000000000000014	0	0	0	0	0	0.550000000000000044
51	202.159999999999997	C11H6O4	\N	\N	1	O=c1ccc2c(o1)c(O)c1c(c2)cco1	15	13	0	0	4	1	54.2800000000000011	63.5799999999999983	1.68999999999999995	1.66999999999999993	2.24000000000000021	0.890000000000000013	2.39999999999999991	1.78000000000000003	-2.79000000000000004	0.330000000000000016	0.00162999999999999994	Soluble	-2.62000000000000011	0.485999999999999988	0.00239999999999999979	Soluble	-3.93000000000000016	0.0236999999999999988	0.000116999999999999998	Soluble	High	Yes	No	Yes	No	No	No	No	-6.34999999999999964	0	0	0	0	0	0.550000000000000044
52	154.25	C10H18O	\N	\N	1	C[C@@H]1CC[C@H](C(=O)C1)C(C)C	11	0	0.900000000000000022	1	1	0	48.2700000000000031	17.0700000000000003	2.39999999999999991	3.04999999999999982	2.64999999999999991	2.29999999999999982	2.64000000000000012	2.60999999999999988	-2.64999999999999991	0.343999999999999972	0.00223000000000000021	Soluble	-3.06999999999999984	0.130000000000000004	0.000841999999999999975	Soluble	-2.16999999999999993	1.05000000000000004	0.00677999999999999957	Soluble	High	Yes	No	No	No	No	No	No	-5.08000000000000007	0	1	0	0	2	0.550000000000000044
53	295.29000000000002	C14H17NO6	\N	\N	1	OC[C@H]1O[C@@H](O[C@H](c2ccccc2)C#N)[C@@H]([C@H]([C@@H]1O)O)O	21	6	0.5	4	7	4	69.5100000000000051	123.170000000000002	0.939999999999999947	-0.709999999999999964	-1.26000000000000001	-1.58000000000000007	-0.660000000000000031	-0.650000000000000022	-1.16999999999999993	19.8999999999999986	0.0675000000000000044	Very soluble	-1.39999999999999991	11.6999999999999993	0.0396999999999999992	Very soluble	-0.340000000000000024	133	0.452000000000000013	Soluble	High	No	No	No	No	No	No	No	-8.60999999999999943	0	1	0	0	0	0.550000000000000044
54	354.310000000000002	C16H18O9	\N	\N	1	O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O	25	6	0.380000000000000004	5	9	6	83.5	164.75	0.869999999999999996	-0.419999999999999984	-0.75	-1.05000000000000004	-0.609999999999999987	-0.390000000000000013	-1.62000000000000011	8.5	0.0240000000000000005	Very soluble	-2.58000000000000007	0.941999999999999948	0.00266000000000000004	Soluble	0.400000000000000022	894	2.52000000000000002	Soluble	Low	No	No	No	No	No	No	No	-8.75999999999999979	1	1	1	1	2	0.110000000000000001
56	348.389999999999986	C19H24O6	\N	\N	1	OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)CC[C@@H]([C@@]2(C)C(=O)O3)O	25	0	0.790000000000000036	1	6	3	87.3400000000000034	104.060000000000002	1.62000000000000011	0.23000000000000001	1.25	1.75	1.71999999999999997	1.31000000000000005	-2.08000000000000007	2.91000000000000014	0.00834000000000000019	Soluble	-1.97999999999999998	3.68999999999999995	0.0106	Very soluble	-1.92999999999999994	4.08999999999999986	0.0117000000000000003	Soluble	High	No	Yes	No	No	No	No	No	-8.25999999999999979	0	0	0	0	0	0.560000000000000053
57	132.159999999999997	C9H8O	\N	\N	1	O=C/C=C/c1ccccc1	10	6	0	2	1	0	41.5399999999999991	17.0700000000000003	1.64999999999999991	1.89999999999999991	1.79000000000000004	2.00999999999999979	2.47999999999999998	1.96999999999999997	-2.16999999999999993	0.89700000000000002	0.00679000000000000003	Soluble	-1.87999999999999989	1.73999999999999999	0.0131000000000000005	Very soluble	-2.39999999999999991	0.526000000000000023	0.00398000000000000003	Soluble	High	Yes	No	No	No	No	No	No	-5.75999999999999979	0	2	0	0	2	0.550000000000000044
58	310.370000000000005	C16H24NO5	\N	\N	1	COc1cc(/C=C/C(=O)OCC[N+](C)(C)C)cc(c1O)OC	22	6	0.440000000000000002	8	5	1	84.0400000000000063	64.9899999999999949	-0.630000000000000004	1.80000000000000004	1.56000000000000005	-2.43999999999999995	1.93999999999999995	0.450000000000000011	-2.56999999999999984	0.830999999999999961	0.00268000000000000009	Soluble	-2.7799999999999998	0.51100000000000001	0.00163999999999999996	Soluble	-3.87000000000000011	0.0420999999999999985	0.000135999999999999999	Soluble	High	Yes	Yes	No	No	No	No	No	-6.91999999999999993	0	0	0	0	0	0.550000000000000044
59	175.180000000000007	C10H9NO2	\N	\N	1	OC(=O)Cc1c[nH]c2c1cccc2	13	9	0.100000000000000006	2	2	2	49.8400000000000034	53.0900000000000034	1.01000000000000001	1.40999999999999992	1.79000000000000004	1.1100000000000001	2.20999999999999996	1.51000000000000001	-2.18999999999999995	1.12000000000000011	0.00638999999999999985	Soluble	-2.12999999999999989	1.30000000000000004	0.00742999999999999997	Soluble	-3.06000000000000005	0.152999999999999997	0.000875000000000000018	Soluble	High	Yes	No	No	No	No	No	No	-6.37000000000000011	0	0	0	0	1	0.560000000000000053
60	152.22999999999999	C10H16O	\N	\N	1	CC(=C)[C@@H]1CC=C([C@H](C1)O)C	11	0	0.599999999999999978	1	1	1	48.2800000000000011	20.2300000000000004	2.41999999999999993	3.12000000000000011	2.2799999999999998	2.20000000000000018	2.04999999999999982	2.41000000000000014	-2.68000000000000016	0.316000000000000003	0.00206999999999999979	Soluble	-3.20999999999999996	0.0931000000000000022	0.000610999999999999998	Soluble	-1.46999999999999997	5.20999999999999996	0.0342000000000000012	Soluble	High	Yes	No	No	No	No	No	No	-5.00999999999999979	0	1	0	0	2	0.550000000000000044
61	288.25	C15H12O6	\N	\N	1	Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O	21	12	0.130000000000000004	1	6	4	72.730000000000004	107.219999999999999	1.58000000000000007	1.31000000000000005	1.15999999999999992	-0.100000000000000006	1.14999999999999991	1.02000000000000002	-2.81000000000000005	0.447000000000000008	0.00154999999999999995	Soluble	-3.16000000000000014	0.198000000000000009	0.000688000000000000026	Soluble	-2.60999999999999988	0.711999999999999966	0.00246999999999999997	Soluble	High	No	No	No	No	No	No	No	-7.12999999999999989	0	0	0	0	0	0.550000000000000044
63	139.110000000000014	C6H5NO3	\N	\N	1	OC(=O)c1ccc(=O)[nH]c1	10	6	0	1	3	2	34.0200000000000031	70.1599999999999966	0.680000000000000049	-0.550000000000000044	0.0700000000000000067	-0.149999999999999994	0.890000000000000013	0.190000000000000002	-0.729999999999999982	25.6999999999999993	0.184999999999999998	Very soluble	-0.450000000000000011	48.8999999999999986	0.35199999999999998	Very soluble	-1.28000000000000003	7.33000000000000007	0.0526999999999999968	Soluble	High	No	No	No	No	No	No	No	-7.54000000000000004	0	3	0	0	1	0.560000000000000053
64	426.720000000000027	C30H50O	\N	\N	1	C/C(=C\\CC/C=C(/CC/C=C(/CC[C@@H]1OC1(C)C)\\C)\\C)/CC/C=C(/CCC=C(C)C)\\C	31	0	0.67000000000000004	15	1	0	142.960000000000008	12.5299999999999994	6.83999999999999986	10.2799999999999994	9.82000000000000028	6.54000000000000004	10.2599999999999998	8.75	-7.96999999999999975	4.54999999999999964e-06	1.06999999999999999e-08	Poorly soluble	-10.4800000000000004	1.41000000000000005e-08	3.30000000000000024e-11	Insoluble	-7.41999999999999993	1.60999999999999983e-05	3.7800000000000001e-08	Poorly soluble	Low	No	Yes	Yes	No	No	No	No	-1.60000000000000009	1	3	1	1	2	0.550000000000000044
65	414.490000000000009	C23H30N2O5	\N	\N	1	COc1ccc2c(c1)N(C)[C@@H]1[C@@]32CCN2[C@H]3[C@@]([C@H]([C@]1(O)C(=O)OC)O)(CC)C=CC2	30	6	0.609999999999999987	4	6	2	118.680000000000007	82.4699999999999989	3.02000000000000002	2.33999999999999986	0.309999999999999998	1.37999999999999989	1.14999999999999991	1.6399999999999999	-3.77000000000000002	0.070699999999999999	0.000171000000000000009	Soluble	-3.70999999999999996	0.080600000000000005	0.000193999999999999999	Soluble	-3.06000000000000005	0.360999999999999988	0.000871000000000000029	Soluble	High	No	Yes	No	No	No	Yes	No	-7.16999999999999993	0	0	0	0	0	0.550000000000000044
66	126.109999999999999	C6H6O3	\N	\N	1	Oc1c(O)cccc1O	9	6	0	0	3	3	32.509999999999998	60.6899999999999977	0.969999999999999973	0.520000000000000018	0.800000000000000044	0.179999999999999993	0.429999999999999993	0.57999999999999996	-1.43999999999999995	4.54999999999999982	0.0361000000000000001	Very soluble	-1.37000000000000011	5.44000000000000039	0.0430999999999999994	Very soluble	-0.630000000000000004	29.6000000000000014	0.234000000000000014	Soluble	High	Yes	No	No	No	No	No	Yes	-6.70000000000000018	0	3	0	0	1	0.550000000000000044
67	152.22999999999999	C10H16O	\N	\N	1	CC1=C[C@@H]([C@H](CC1)C(=C)C)O	11	0	0.599999999999999978	1	1	1	48.2800000000000011	20.2300000000000004	2.29999999999999982	2.06000000000000005	2.2799999999999998	2.20000000000000018	2.04999999999999982	2.18000000000000016	-2.02000000000000002	1.46999999999999997	0.00965000000000000059	Soluble	-2.10999999999999988	1.16999999999999993	0.00770000000000000025	Soluble	-1.46999999999999997	5.20999999999999996	0.0342000000000000012	Soluble	High	Yes	No	No	No	No	No	No	-5.76999999999999957	0	1	0	0	2	0.550000000000000044
68	222.370000000000005	C15H26O	\N	\N	1	OC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C	16	0	0.599999999999999978	7	1	1	73.9599999999999937	20.2300000000000004	3.70000000000000018	5.41999999999999993	4.40000000000000036	3.85999999999999988	4.20999999999999996	4.32000000000000028	-4.16999999999999993	0.0149999999999999994	6.73999999999999984e-05	Moderately soluble	-5.59999999999999964	0.000558000000000000011	2.51000000000000011e-06	Moderately soluble	-3.14999999999999991	0.156	0.000699999999999999993	Soluble	High	Yes	No	Yes	No	Yes	No	No	-3.81000000000000005	0	0	0	0	2	0.550000000000000044
70	462.360000000000014	C15H10O13S2	\N	\N	1	Oc1cc(O)c2c(c1)oc(c(c2=O)OS(=O)(=O)O)c1ccc(c(c1)O)OS(=O)(=O)O	30	16	0	5	13	5	98.4300000000000068	234.860000000000014	0.220000000000000001	1.43999999999999995	3.10000000000000009	-1.37999999999999989	-1.6100000000000001	0.349999999999999978	-3.68000000000000016	0.0969	0.000210000000000000009	Soluble	-5.98000000000000043	0.00048700000000000002	1.0499999999999999e-06	Moderately soluble	-2.45000000000000018	1.64999999999999991	0.0035599999999999998	Soluble	Low	No	Yes	Yes	No	No	No	No	-8.09999999999999964	1	0	1	1	2	0.110000000000000001
71	386.350000000000023	C17H22O10	\N	\N	1	OC[C@H]1O[C@@H](OC(=O)/C=C/c2cc(OC)c(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O	27	6	0.469999999999999973	7	10	5	90.0900000000000034	155.139999999999986	1.40999999999999992	-0.340000000000000024	-1.34000000000000008	-1.62999999999999989	-0.560000000000000053	-0.489999999999999991	-1.71999999999999997	7.29999999999999982	0.0189000000000000001	Very soluble	-2.45999999999999996	1.35000000000000009	0.00350000000000000007	Soluble	0.130000000000000004	519	1.34000000000000008	Soluble	Low	No	No	No	No	No	No	No	-8.90000000000000036	0	1	1	1	1	0.550000000000000044
72	336.20999999999998	C11H15NO9P	\N	\N	1	O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)O)COP(=O)(O)O	22	6	0.450000000000000011	5	9	5	69.5900000000000034	167.439999999999998	-4.70000000000000018	-2.75	-1.91999999999999993	-2.10999999999999988	-2.68999999999999995	-2.83999999999999986	-0.0599999999999999978	290	0.862999999999999989	Very soluble	-0.209999999999999992	206	0.610999999999999988	Very soluble	1.65999999999999992	15400	45.8999999999999986	Soluble	Low	No	No	No	No	No	No	No	-10.3000000000000007	0	1	1	1	2	0.110000000000000001
73	180.159999999999997	C9H8O4	\N	\N	1	OC(=O)/C=C/c1ccc(c(c1)O)O	13	6	0	2	4	3	47.1599999999999966	77.7600000000000051	0.969999999999999973	1.14999999999999991	1.09000000000000008	0.699999999999999956	0.75	0.930000000000000049	-1.8899999999999999	2.31999999999999984	0.0129	Very soluble	-2.37999999999999989	0.755000000000000004	0.00419000000000000015	Soluble	-0.709999999999999964	35.1000000000000014	0.195000000000000007	Soluble	High	No	No	No	No	No	No	No	-6.58000000000000007	0	0	0	0	1	0.560000000000000053
74	586.67999999999995	C30H52O7P2	\N	\N	1	C/C(=C\\CC/C(=C/CC/C(=C/COP(=O)(OP(=O)(O)O)O)/C)/C)/CC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C	39	0	0.599999999999999978	20	7	3	166.460000000000008	132.909999999999997	5.28000000000000025	8.14000000000000057	9.8100000000000005	4.83999999999999986	7.67999999999999972	7.15000000000000036	-7.29000000000000004	3.04000000000000003e-05	5.18000000000000006e-08	Poorly soluble	-10.7899999999999991	9.52999999999999997e-09	1.61999999999999996e-11	Insoluble	-5.08999999999999986	0.00476999999999999993	8.13000000000000009e-06	Moderately soluble	Low	No	No	No	No	Yes	No	No	-4.09999999999999964	2	4	1	2	2	0.560000000000000053
75	272.25	C15H12O5	\N	\N	1	Oc1ccc2c(c1)OC[C@@]1([C@H]2Oc2c1ccc(c2)O)O	20	12	0.200000000000000011	0	5	3	69.7399999999999949	79.1500000000000057	1.83000000000000007	2.08000000000000007	1.37999999999999989	0.790000000000000036	1.72999999999999998	1.56000000000000005	-3.2799999999999998	0.141999999999999987	0.000522000000000000003	Soluble	-3.37000000000000011	0.116000000000000006	0.000424999999999999976	Soluble	-3.25	0.151999999999999996	0.000559999999999999951	Soluble	High	No	Yes	Yes	Yes	No	Yes	Yes	-6.48000000000000043	0	0	0	0	0	0.550000000000000044
76	330.29000000000002	C17H14O7	\N	\N	1	COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)O)O	24	16	0.119999999999999996	3	7	3	86.9699999999999989	109.359999999999999	2.50999999999999979	3.04000000000000004	2.58999999999999986	-0.0700000000000000067	2.58999999999999986	2.12999999999999989	-4.09999999999999964	0.0263000000000000005	7.96999999999999993e-05	Moderately soluble	-5	0.00327999999999999993	9.9499999999999996e-06	Moderately soluble	-4.62999999999999989	0.00770999999999999984	2.33000000000000005e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.16000000000000014	0	0	0	0	0	0.550000000000000044
78	296.529999999999973	C20H40O	\N	\N	1	OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\\C	21	0	0.900000000000000022	13	1	1	98.9399999999999977	20.2300000000000004	4.76999999999999957	8.1899999999999995	6.36000000000000032	5.25	6.57000000000000028	6.23000000000000043	-5.98000000000000043	0.00031	1.0499999999999999e-06	Moderately soluble	-8.47000000000000064	9.93999999999999927e-07	3.34999999999999981e-09	Poorly soluble	-5.50999999999999979	0.000906000000000000013	3.05000000000000002e-06	Moderately soluble	Low	No	Yes	No	No	Yes	No	No	-2.29000000000000004	1	1	1	1	2	0.550000000000000044
79	154.25	C10H18O	\N	\N	1	O[C@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C	11	0	1	0	1	1	46.6000000000000014	20.2300000000000004	2.33000000000000007	2.7200000000000002	2.18999999999999995	2.45000000000000018	2.27000000000000002	2.39000000000000012	-2.50999999999999979	0.47699999999999998	0.00308999999999999986	Soluble	-2.79999999999999982	0.244999999999999996	0.00159000000000000005	Soluble	-1.90999999999999992	1.91999999999999993	0.0123999999999999996	Soluble	High	Yes	No	No	No	No	No	No	-5.30999999999999961	0	1	0	0	2	0.550000000000000044
80	272.470000000000027	C20H32	\N	\N	1	C/C/1=C\\CC/C(=C/CC/C(=C/[C@@H]2[C@@H](CC1)C2(C)C)/C)/C	20	0	0.699999999999999956	0	0	0	92.3400000000000034	0	4.07000000000000028	5.44000000000000039	6.45000000000000018	5.71999999999999975	5	5.33999999999999986	-4.95999999999999996	0.00301000000000000009	1.11000000000000005e-05	Moderately soluble	-5.20000000000000018	0.00172999999999999998	6.36000000000000009e-06	Moderately soluble	-4.76999999999999957	0.00464999999999999962	1.70999999999999989e-05	Moderately soluble	Low	No	No	No	Yes	Yes	No	No	-4.09999999999999964	1	1	0	1	2	0.550000000000000044
81	303.350000000000023	C17H21NO4	\N	\N	1	COC(=O)[C@H]1[C@H](C[C@H]2N([C@@H]1CC2)C)OC(=O)c1ccccc1	22	6	0.530000000000000027	5	5	0	84.8499999999999943	55.8400000000000034	3.2200000000000002	2.29999999999999982	1.48999999999999999	2.18000000000000016	1.6100000000000001	2.16000000000000014	-3.04000000000000004	0.276000000000000023	0.000908999999999999977	Soluble	-3.10999999999999988	0.234999999999999987	0.000774999999999999973	Soluble	-2.89000000000000012	0.390000000000000013	0.00128999999999999991	Soluble	High	Yes	No	No	No	No	Yes	No	-6.51999999999999957	0	0	0	0	0	0.550000000000000044
82	252.219999999999999	C8H16N2O7	\N	\N	1	OC[C@H]1O[C@@H](OC/N=[N+](\\C)/[O-])[C@@H]([C@H]([C@@H]1O)O)O	17	0	1	4	8	4	53.5	140.490000000000009	1.05000000000000004	-2.56000000000000005	-2.64999999999999991	-2.14000000000000012	-3.39000000000000012	-1.93999999999999995	0.469999999999999973	750	2.9700000000000002	Highly soluble	0.160000000000000003	360	1.42999999999999994	Highly soluble	1.97999999999999998	23900	94.5999999999999943	Soluble	Low	No	Yes	No	No	No	No	No	-9.66000000000000014	0	1	1	1	1	0.550000000000000044
84	390.379999999999995	C17H26O10	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@H](C)[C@H](C3)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	27	0	0.819999999999999951	5	10	5	87.3700000000000045	155.139999999999986	2.18999999999999995	-1.3899999999999999	-2.14999999999999991	-1.76000000000000001	-2.18999999999999995	-1.06000000000000005	-1.05000000000000004	34.3999999999999986	0.0882000000000000006	Very soluble	-1.37000000000000011	16.8000000000000007	0.0429999999999999966	Very soluble	1.91999999999999993	32600	83.5999999999999943	Soluble	Low	No	Yes	No	No	No	No	No	-9.66999999999999993	0	1	1	1	1	0.110000000000000001
85	584.649999999999977	C29H44O12	\N	\N	1	OC[C@@]12[C@H](O)C[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	41	0	0.900000000000000022	4	12	8	140.659999999999997	206.599999999999994	2.66999999999999993	-1.69999999999999996	-1.52000000000000002	-1.1100000000000001	-0.969999999999999973	-0.520000000000000018	-2.12999999999999989	4.33999999999999986	0.00742000000000000038	Soluble	-2.12999999999999989	4.37999999999999989	0.00749000000000000013	Soluble	0.330000000000000016	1250	2.12999999999999989	Soluble	Low	No	No	No	No	No	No	No	-11.0700000000000003	3	4	1	1	3	0.170000000000000012
86	284.259999999999991	C16H12O5	\N	\N	1	COc1cc(O)cc2c1C(=O)c1c(C2=O)cc(cc1O)C	21	12	0.119999999999999996	1	5	2	75.25	83.8299999999999983	2.04999999999999982	3.04000000000000004	2.18999999999999995	0.609999999999999987	3.06999999999999984	2.18999999999999995	-3.87000000000000011	0.0379999999999999991	0.000134000000000000005	Soluble	-4.46999999999999975	0.00971999999999999947	3.41999999999999978e-05	Moderately soluble	-4.59999999999999964	0.0070699999999999999	2.48999999999999988e-05	Moderately soluble	High	No	No	Yes	No	No	No	Yes	-5.87999999999999989	0	0	0	0	0	0.550000000000000044
87	432.379999999999995	C21H20O10	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O	31	16	0.28999999999999998	3	10	7	106.609999999999999	181.050000000000011	1.62999999999999989	0.209999999999999992	-0.23000000000000001	-2.02000000000000002	0.330000000000000016	-0.0200000000000000004	-2.83999999999999986	0.629000000000000004	0.00145999999999999993	Soluble	-3.56999999999999984	0.116000000000000006	0.000268000000000000009	Soluble	-2.37999999999999989	1.81000000000000005	0.00419999999999999974	Soluble	Low	No	No	No	No	No	No	No	-8.78999999999999915	1	0	1	1	2	0.550000000000000044
88	284.259999999999991	C16H12O5	\N	\N	1	COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O	21	16	0.0599999999999999978	2	5	2	78.4599999999999937	79.9000000000000057	2.56000000000000005	3.35000000000000009	2.87999999999999989	0.770000000000000018	3.0299999999999998	2.52000000000000002	-4.13999999999999968	0.0204000000000000015	7.16999999999999945e-05	Moderately soluble	-4.70999999999999996	0.00559999999999999994	1.97000000000000011e-05	Moderately soluble	-5.09999999999999964	0.00224999999999999983	7.9100000000000005e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.66000000000000014	0	0	0	0	0	0.550000000000000044
89	240.210000000000008	C14H8O4	\N	\N	1	O=C1c2ccccc2C(=O)c2c1ccc(c2O)O	18	12	0	0	4	2	63.7999999999999972	74.5999999999999943	1.85000000000000009	3.16000000000000014	1.87000000000000011	0.67000000000000004	2.54999999999999982	2.02000000000000002	-3.81000000000000005	0.0369000000000000022	0.000154000000000000003	Soluble	-4.40000000000000036	0.00962999999999999967	4.00999999999999989e-05	Moderately soluble	-4.09999999999999964	0.0190999999999999989	7.94000000000000055e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-5.51999999999999957	0	0	0	0	0	0.550000000000000044
91	289.370000000000005	C17H23NO3	\N	\N	1	OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C	21	6	0.589999999999999969	5	4	1	84.5100000000000051	49.7700000000000031	3.02000000000000002	1.83000000000000007	1.55000000000000004	2.02000000000000002	2.0299999999999998	2.08999999999999986	-2.66999999999999993	0.620999999999999996	0.00215	Soluble	-2.5	0.925000000000000044	0.00320000000000000015	Soluble	-2.93000000000000016	0.341000000000000025	0.00118000000000000006	Soluble	High	Yes	No	No	No	No	Yes	No	-6.76999999999999957	0	0	0	0	0	0.550000000000000044
92	222.370000000000005	C15H26O	\N	\N	1	OC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C	16	0	0.599999999999999978	7	1	1	73.9599999999999937	20.2300000000000004	3.70000000000000018	5.41999999999999993	4.40000000000000036	3.85999999999999988	4.20999999999999996	4.32000000000000028	-4.16999999999999993	0.0149999999999999994	6.73999999999999984e-05	Moderately soluble	-5.59999999999999964	0.000558000000000000011	2.51000000000000011e-06	Moderately soluble	-3.14999999999999991	0.156	0.000699999999999999993	Soluble	High	Yes	No	Yes	No	Yes	No	No	-3.81000000000000005	0	0	0	0	2	0.550000000000000044
93	194.180000000000007	C10H10O4	\N	\N	1	COc1cc(/C=C/C(=O)O)ccc1O	14	6	0.100000000000000006	3	4	2	51.6300000000000026	66.7600000000000051	1.62000000000000011	1.51000000000000001	1.3899999999999999	1	1.26000000000000001	1.3600000000000001	-2.10999999999999988	1.48999999999999999	0.00768000000000000019	Soluble	-2.52000000000000002	0.585999999999999965	0.00302000000000000011	Soluble	-1.41999999999999993	7.42999999999999972	0.0383000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-6.41000000000000014	0	0	0	0	1	0.560000000000000053
94	152.22999999999999	C10H16O	\N	\N	1	O=C/C=C(/CCC=C(C)C)\\C	11	0	0.5	4	1	0	49.4399999999999977	17.0700000000000003	2.50999999999999979	3.0299999999999998	2.87999999999999989	2.49000000000000021	2.64999999999999991	2.70999999999999996	-2.43000000000000016	0.566999999999999948	0.00372999999999999981	Soluble	-3.04999999999999982	0.134000000000000008	0.000882999999999999996	Soluble	-1.95999999999999996	1.65999999999999992	0.0109	Soluble	High	Yes	No	No	No	No	No	No	-5.08000000000000007	0	1	0	0	2	0.550000000000000044
95	154.25	C10H18O	\N	\N	1	OC/C=C(/CCC=C(C)C)\\C	11	0	0.599999999999999978	4	1	1	50.3999999999999986	20.2300000000000004	2.52000000000000002	3.56000000000000005	2.66999999999999993	2.58999999999999986	2.35000000000000009	2.74000000000000021	-2.7799999999999998	0.259000000000000008	0.00168000000000000007	Soluble	-3.66999999999999993	0.0330000000000000016	0.000213999999999999998	Soluble	-1.84000000000000008	2.20000000000000018	0.0143000000000000002	Soluble	High	Yes	No	No	No	No	No	No	-4.70999999999999996	0	1	0	0	2	0.550000000000000044
96	376.360000000000014	C16H24O10	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@H](C)[C@H](C3)O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	26	0	0.810000000000000053	4	10	6	83.0499999999999972	166.139999999999986	1.20999999999999996	-1.70999999999999996	-2.24000000000000021	-2	-2.7200000000000002	-1.48999999999999999	-0.82999999999999996	55.3999999999999986	0.146999999999999992	Very soluble	-1.27000000000000002	20.3999999999999986	0.0541999999999999982	Very soluble	2.60999999999999988	154000	410	Soluble	Low	No	Yes	No	No	No	No	No	-9.8100000000000005	1	1	1	1	2	0.110000000000000001
97	286.240000000000009	C15H10O6	\N	\N	1	Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O	21	16	0	1	6	4	76.0100000000000051	111.129999999999995	1.8600000000000001	2.5299999999999998	2.2799999999999998	-0.0299999999999999989	2.0299999999999998	1.72999999999999998	-3.70999999999999996	0.0563000000000000028	0.000196999999999999991	Soluble	-4.50999999999999979	0.00884000000000000064	3.08999999999999989e-05	Moderately soluble	-3.81999999999999984	0.0429000000000000006	0.000149999999999999987	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.25	0	0	0	0	0	0.550000000000000044
99	164.159999999999997	C8H8N2O2	\N	\N	1	N#Cc1c(OC)ccn(c1=O)C	12	6	0.25	1	3	0	43.1700000000000017	55.0200000000000031	1.62999999999999989	0.0100000000000000002	0.270000000000000018	-0.280000000000000027	0.849999999999999978	0.5	-1.16999999999999993	11.0999999999999996	0.067900000000000002	Very soluble	-0.719999999999999973	31.5	0.192000000000000004	Very soluble	-1.69999999999999996	3.2799999999999998	0.0200000000000000004	Soluble	High	No	No	No	No	No	No	No	-7.29000000000000004	0	0	0	0	1	0.550000000000000044
100	354.310000000000002	C16H18O9	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3oc(=O)ccc3cc2OC)[C@@H]([C@H]([C@@H]1O)O)O	25	10	0.440000000000000002	4	9	4	83.1200000000000045	138.819999999999993	1.34000000000000008	-1.05000000000000004	-1.02000000000000002	-1.22999999999999998	-0.200000000000000011	-0.429999999999999993	-1.40999999999999992	13.9000000000000004	0.0391999999999999987	Very soluble	-1.37999999999999989	14.9000000000000004	0.0420000000000000026	Very soluble	-1.52000000000000002	10.6999999999999993	0.0303000000000000005	Soluble	Low	No	No	No	No	No	No	No	-9.21000000000000085	0	1	0	1	0	0.550000000000000044
101	284.480000000000018	C18H36O2	\N	\N	1	CCCCCCCCCCCCCCCCCC(=O)O	20	0	0.939999999999999947	16	2	1	90.4099999999999966	37.2999999999999972	4.29999999999999982	8.23000000000000043	6.33000000000000007	4.66999999999999993	6.12999999999999989	5.92999999999999972	-5.73000000000000043	0.000525999999999999992	1.85000000000000008e-06	Moderately soluble	-8.86999999999999922	3.80000000000000015e-07	1.32999999999999996e-09	Poorly soluble	-6.11000000000000032	0.000219000000000000011	7.71000000000000009e-07	Poorly soluble	High	No	No	Yes	No	No	No	No	-2.18999999999999995	1	1	1	1	2	0.560000000000000053
102	372.370000000000005	C17H24O9	\N	\N	1	OC/C=C/c1cc(OC)c(c(c1)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	26	6	0.530000000000000027	7	9	5	89.6299999999999955	138.069999999999993	1.87000000000000011	-1.31000000000000005	-1.21999999999999997	-1.59000000000000008	-0.130000000000000004	-0.479999999999999982	-1.03000000000000003	34.6000000000000014	0.0928999999999999965	Very soluble	-1.09000000000000008	30.1999999999999993	0.0810000000000000026	Very soluble	-0.340000000000000024	171	0.458000000000000018	Soluble	Low	No	No	No	No	No	No	No	-9.5	0	1	0	1	0	0.550000000000000044
103	216.189999999999998	C12H8O4	\N	\N	1	COc1c2ccc(=O)oc2cc2c1cco2	16	13	0.0800000000000000017	1	4	0	58.75	52.5799999999999983	2.29000000000000004	1.92999999999999994	2.54999999999999982	1.17999999999999994	2.87999999999999989	2.16000000000000014	-2.93000000000000016	0.253000000000000003	0.00117000000000000003	Soluble	-2.66000000000000014	0.474999999999999978	0.00220000000000000013	Soluble	-4.62999999999999989	0.0050099999999999997	2.32000000000000015e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-6.25	0	0	0	0	0	0.550000000000000044
104	284.259999999999991	C16H12O5	\N	\N	1	COc1ccc(cc1O)c1coc2c(c1=O)ccc(c2)O	21	16	0.0599999999999999978	2	5	2	78.4599999999999937	79.9000000000000057	2.39999999999999991	2.43999999999999995	2.87999999999999989	0.770000000000000018	3.0299999999999998	2.29999999999999982	-3.56999999999999984	0.0763000000000000067	0.000268000000000000009	Soluble	-3.75999999999999979	0.0492999999999999966	0.000173000000000000004	Soluble	-5.09999999999999964	0.00224999999999999983	7.9100000000000005e-06	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-6.29999999999999982	0	0	0	0	0	0.550000000000000044
106	165.22999999999999	C10H15NO	\N	\N	1	CN[C@H]([C@@H](c1ccccc1)O)C	12	6	0.400000000000000022	3	2	2	49.7899999999999991	32.259999999999998	2.16000000000000014	0.930000000000000049	1	1.56000000000000005	1.56000000000000005	1.44999999999999996	-1.62000000000000011	3.93999999999999995	0.0239000000000000011	Very soluble	-1.18999999999999995	10.5999999999999996	0.0640000000000000013	Very soluble	-2.74000000000000021	0.302999999999999992	0.00183000000000000003	Soluble	High	Yes	No	No	No	No	No	No	-6.65000000000000036	0	0	0	0	1	0.550000000000000044
107	116.159999999999997	C6H12O2	\N	\N	1	CCCCCC(=O)O	8	0	0.82999999999999996	4	2	1	32.7299999999999969	37.2999999999999972	1.57000000000000006	1.91999999999999993	1.64999999999999991	1.27000000000000002	0.930000000000000049	1.46999999999999997	-1.51000000000000001	3.62000000000000011	0.0311999999999999986	Very soluble	-2.33000000000000007	0.547000000000000042	0.00470999999999999978	Soluble	-1.20999999999999996	7.23000000000000043	0.0621999999999999983	Soluble	High	Yes	No	No	No	No	No	No	-5.65000000000000036	0	2	0	0	1	0.560000000000000053
108	356.370000000000005	C20H20O6	\N	\N	1	CC(=CCc1c(O)cc(c2c1OC[C@H](C2=O)c1ccc(cc1O)O)O)C	26	12	0.25	3	6	4	97.3100000000000023	107.219999999999999	2.24000000000000021	4.12999999999999989	3.37999999999999989	1.28000000000000003	3.27000000000000002	2.85999999999999988	-4.79000000000000004	0.0057099999999999998	1.59999999999999993e-05	Moderately soluble	-6.08999999999999986	0.000291000000000000026	8.16000000000000001e-07	Poorly soluble	-4.07000000000000028	0.0303999999999999999	8.52999999999999998e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.54000000000000004	0	0	0	0	0	0.550000000000000044
109	247.25	C10H17NO6	\N	\N	1	OC[C@H]1O[C@@H](OC(C#N)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	17	0	0.900000000000000022	3	7	4	54.6700000000000017	123.170000000000002	1.62999999999999989	-2.27000000000000002	-1.8899999999999999	-2.39000000000000012	-1.59000000000000008	-1.30000000000000004	0.260000000000000009	445	1.80000000000000004	Highly soluble	0.220000000000000001	408	1.64999999999999991	Highly soluble	1.37999999999999989	5970	24.1999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-9.41999999999999993	0	1	0	0	1	0.550000000000000044
110	280.449999999999989	C18H32O2	\N	\N	1	CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O	20	0	0.719999999999999973	14	2	1	89.4599999999999937	37.2999999999999972	4.13999999999999968	6.98000000000000043	5.87999999999999989	4.46999999999999975	5.76999999999999957	5.45000000000000018	-5.04999999999999982	0.00249000000000000003	8.86999999999999978e-06	Moderately soluble	-7.58000000000000007	7.42000000000000011e-06	2.64000000000000015e-08	Poorly soluble	-4.66999999999999993	0.00593000000000000037	2.11000000000000013e-05	Moderately soluble	High	Yes	No	Yes	No	Yes	No	No	-3.04999999999999982	1	1	1	1	1	0.560000000000000053
112	436.410000000000025	C21H24O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc(c2C(=O)CCc2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	31	12	0.380000000000000004	7	10	7	106.140000000000001	177.139999999999986	1.25	0.540000000000000036	-0.200000000000000011	-1.41999999999999993	0.130000000000000004	0.0599999999999999978	-2.70999999999999996	0.849999999999999978	0.00194999999999999991	Soluble	-3.83000000000000007	0.064299999999999996	0.000146999999999999995	Soluble	-1.65999999999999992	9.58999999999999986	0.0219999999999999987	Soluble	Low	No	Yes	No	No	No	No	No	-8.58000000000000007	1	0	1	1	2	0.550000000000000044
113	304.25	C15H12O7	\N	\N	1	Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O	22	12	0.130000000000000004	1	7	5	74.7600000000000051	127.450000000000003	0.709999999999999964	0.949999999999999956	0.859999999999999987	-0.640000000000000013	0.660000000000000031	0.510000000000000009	-2.66000000000000014	0.662000000000000033	0.00218000000000000008	Soluble	-3.20999999999999996	0.185999999999999999	0.000612000000000000022	Soluble	-2.0299999999999998	2.87000000000000011	0.00941999999999999955	Soluble	High	No	No	No	No	No	No	No	-7.48000000000000043	0	0	0	0	0	0.550000000000000044
114	456.529999999999973	C25H32N2O6	\N	\N	1	COC(=O)[C@@]1(O)[C@H](OC(=O)C)[C@]2(CC)C=CCN3[C@@H]2[C@@]2([C@H]1N(C)c1c2ccc(c1)OC)CC3	33	6	0.599999999999999978	6	7	1	128.419999999999987	88.5400000000000063	3.18999999999999995	1.5	0.880000000000000004	1.73999999999999999	1.65999999999999992	1.79000000000000004	-3.35000000000000009	0.202000000000000013	0.00044299999999999998	Soluble	-2.9700000000000002	0.491999999999999993	0.00108000000000000001	Soluble	-3.66999999999999993	0.0974000000000000005	0.000213	Soluble	High	No	No	No	No	No	Yes	Yes	-8.01999999999999957	0	0	0	0	0	0.550000000000000044
115	346.370000000000005	C19H22O6	\N	\N	1	OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O	25	0	0.680000000000000049	1	6	3	86.8700000000000045	104.060000000000002	1.62999999999999989	0.239999999999999991	1.03000000000000003	1.65999999999999992	1.31000000000000005	1.16999999999999993	-2.06999999999999984	2.93000000000000016	0.00846000000000000051	Soluble	-1.98999999999999999	3.58000000000000007	0.0103000000000000001	Very soluble	-1.45999999999999996	11.9000000000000004	0.0344	Soluble	High	No	Yes	No	No	No	No	No	-8.24000000000000021	0	0	0	0	0	0.560000000000000053
116	338.350000000000023	C20H18O5	\N	\N	1	Oc1ccc2c(c1)O[C@@H]1[C@@]2(O)COc2c1ccc1c2C=CC(O1)(C)C	25	12	0.299999999999999989	0	5	2	91.8400000000000034	68.1500000000000057	2.93999999999999995	2.47999999999999998	2.75	1.89999999999999991	3.10000000000000009	2.62999999999999989	-3.85999999999999988	0.0471999999999999989	0.000139999999999999988	Soluble	-3.56000000000000005	0.0941000000000000031	0.000277999999999999981	Soluble	-4.66000000000000014	0.00740000000000000033	2.19000000000000004e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-6.59999999999999964	0	0	0	0	0	0.550000000000000044
117	302.279999999999973	C16H14O6	\N	\N	1	COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O	22	12	0.190000000000000002	2	6	3	78.0600000000000023	96.2199999999999989	2.24000000000000021	2.60000000000000009	2.18999999999999995	0.409999999999999976	2.08000000000000007	1.90999999999999992	-3.62000000000000011	0.0719000000000000056	0.000238000000000000012	Soluble	-4.26999999999999957	0.0161999999999999991	5.36999999999999975e-05	Moderately soluble	-3.5299999999999998	0.0884000000000000064	0.000291999999999999996	Soluble	High	No	Yes	Yes	No	No	No	Yes	-6.29999999999999982	0	0	0	0	0	0.550000000000000044
119	270.279999999999973	C16H14O4	\N	\N	1	COc1ccc2c(c1)O[C@H]1[C@@H]2COc2c1ccc(c2)O	20	12	0.25	1	4	1	73.1700000000000017	47.9200000000000017	2.54000000000000004	2.77000000000000002	2.68999999999999995	1.87000000000000011	2.75	2.52000000000000002	-3.64000000000000012	0.0621000000000000024	0.000230000000000000007	Soluble	-3.43000000000000016	0.100000000000000006	0.000369999999999999995	Soluble	-4.30999999999999961	0.0131999999999999999	4.89999999999999984e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-5.98000000000000043	0	0	0	0	0	0.550000000000000044
120	283.319999999999993	C17H17NO3	\N	\N	1	O=C1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O	21	6	0.469999999999999973	0	4	1	81.3100000000000023	49.7700000000000031	2.24000000000000021	1.87999999999999989	1.03000000000000003	1.65999999999999992	1.92999999999999994	1.75	-2.99000000000000021	0.287999999999999978	0.00102000000000000007	Soluble	-2.54999999999999982	0.804000000000000048	0.00284000000000000008	Soluble	-2.75999999999999979	0.489999999999999991	0.00172999999999999998	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.69000000000000039	0	0	0	0	0	0.550000000000000044
121	212.240000000000009	C14H12O2	\N	\N	1	Oc1cc(/C=C/c2ccccc2)cc(c1)O	16	12	0	2	2	2	65.8599999999999994	40.4600000000000009	2.04999999999999982	3.47999999999999998	3.04999999999999982	2.87000000000000011	3.06999999999999984	2.89999999999999991	-3.77000000000000002	0.0359000000000000014	0.000168999999999999988	Soluble	-4.00999999999999979	0.0206000000000000003	9.72999999999999934e-05	Moderately soluble	-3.85999999999999988	0.0292000000000000003	0.000137999999999999993	Soluble	High	Yes	No	Yes	No	Yes	No	No	-5.12000000000000011	0	0	0	0	0	0.550000000000000044
122	448.379999999999995	C21H20O11	\N	\N	1	Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O	32	16	0.28999999999999998	3	11	7	109	190.280000000000001	1.60000000000000009	0.859999999999999987	0.489999999999999991	-1.84000000000000008	0.0100000000000000002	0.220000000000000001	-3.33000000000000007	0.20799999999999999	0.000464000000000000003	Soluble	-4.44000000000000039	0.0162999999999999985	3.63000000000000014e-05	Moderately soluble	-2.08000000000000007	3.68999999999999995	0.00821999999999999988	Soluble	Low	No	No	No	No	No	No	No	-8.41999999999999993	2	0	1	1	3	0.170000000000000012
123	192.169999999999987	C10H8O4	\N	\N	1	COc1cc2ccc(=O)oc2cc1O	14	10	0.100000000000000006	1	4	1	51	59.6700000000000017	1.8600000000000001	1.53000000000000003	1.51000000000000001	0.760000000000000009	1.93999999999999995	1.52000000000000002	-2.45999999999999996	0.67000000000000004	0.00348000000000000002	Soluble	-2.39000000000000012	0.779000000000000026	0.00406000000000000024	Soluble	-3.16999999999999993	0.131000000000000005	0.000680999999999999965	Soluble	High	Yes	No	Yes	No	No	No	No	-6.38999999999999968	0	0	0	0	1	0.550000000000000044
124	414.70999999999998	C29H50O	\N	\N	1	CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	30	0	0.930000000000000049	6	1	1	133.22999999999999	20.2300000000000004	5.04999999999999982	9.33999999999999986	8.01999999999999957	6.73000000000000043	7.04000000000000004	7.24000000000000021	-7.90000000000000036	5.2299999999999999e-06	1.26000000000000003e-08	Poorly soluble	-9.66999999999999993	8.90000000000000029e-08	2.15000000000000007e-10	Poorly soluble	-6.19000000000000039	0.000268999999999999979	6.48999999999999948e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-2.20000000000000018	1	3	0	1	2	0.550000000000000044
125	350.410000000000025	C21H22N2O3	\N	\N	1	C/C=C/1\\[C@@H]2C[C@@H]3N([C@@H]1O)[C@@H]1[C@H]2[C@@H](OC(=O)C)[C@]2(C3=Nc3c2cccc3)C1	26	6	0.520000000000000018	2	5	1	104.530000000000001	62.1300000000000026	3.14999999999999991	1.39999999999999991	1.55000000000000004	2.62000000000000011	2.41000000000000014	2.22999999999999998	-2.93000000000000016	0.408999999999999975	0.00117000000000000003	Soluble	-2.31000000000000005	1.71999999999999997	0.0049100000000000003	Soluble	-3.29000000000000004	0.181999999999999995	0.000519000000000000039	Soluble	High	Yes	No	No	No	No	Yes	No	-7.44000000000000039	0	0	0	0	0	0.550000000000000044
127	154.25	C10H18O	\N	\N	1	O[C@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C	11	0	1	0	1	1	46.6000000000000014	20.2300000000000004	2.33000000000000007	2.7200000000000002	2.18999999999999995	2.45000000000000018	2.27000000000000002	2.39000000000000012	-2.50999999999999979	0.47699999999999998	0.00308999999999999986	Soluble	-2.79999999999999982	0.244999999999999996	0.00159000000000000005	Soluble	-1.90999999999999992	1.91999999999999993	0.0123999999999999996	Soluble	High	Yes	No	No	No	No	No	No	-5.30999999999999961	0	1	0	0	2	0.550000000000000044
128	154.25	C10H18O	\N	\N	1	O[C@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C	11	0	1	0	1	1	46.6000000000000014	20.2300000000000004	2.33000000000000007	2.7200000000000002	2.18999999999999995	2.45000000000000018	2.27000000000000002	2.39000000000000012	-2.50999999999999979	0.47699999999999998	0.00308999999999999986	Soluble	-2.79999999999999982	0.244999999999999996	0.00159000000000000005	Soluble	-1.90999999999999992	1.91999999999999993	0.0123999999999999996	Soluble	High	Yes	No	No	No	No	No	No	-5.30999999999999961	0	1	0	0	2	0.550000000000000044
129	150.219999999999999	C10H14O	\N	\N	1	CC(=C)[C@@H]1CC=C(C(=O)C1)C	11	0	0.5	1	1	0	47.3200000000000003	17.0700000000000003	2.27000000000000002	2.70999999999999996	2.49000000000000021	2.10000000000000009	2.64000000000000012	2.43999999999999995	-2.41000000000000014	0.580999999999999961	0.00387000000000000018	Soluble	-2.7200000000000002	0.284999999999999976	0.0019	Soluble	-2.16000000000000014	1.04000000000000004	0.00694999999999999958	Soluble	High	Yes	No	No	No	No	No	No	-5.29000000000000004	0	1	0	0	2	0.550000000000000044
130	164.159999999999997	C9H8O3	\N	\N	1	OC(=O)/C=C/c1ccccc1O	12	6	0	2	3	2	45.1300000000000026	57.5300000000000011	1.09000000000000008	2.0299999999999998	1.37999999999999989	1.28000000000000003	1.21999999999999997	1.39999999999999991	-2.37000000000000011	0.692999999999999949	0.00421999999999999979	Soluble	-2.87000000000000011	0.224000000000000005	0.0013600000000000001	Soluble	-1.28000000000000003	8.66999999999999993	0.0527999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-5.86000000000000032	0	0	0	0	1	0.560000000000000053
131	400.680000000000007	C28H48O	\N	\N	1	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CC[C@H](C(C)C)C)C)C)C1)C	29	0	0.930000000000000049	5	1	1	128.419999999999987	20.2300000000000004	4.96999999999999975	8.80000000000000071	7.62999999999999989	6.54000000000000004	6.62999999999999989	6.91999999999999993	-7.54000000000000004	1.16000000000000007e-05	2.90000000000000016e-08	Poorly soluble	-9.10999999999999943	3.1300000000000001e-07	7.79999999999999995e-10	Poorly soluble	-5.79000000000000004	0.000641999999999999993	1.59999999999999993e-06	Moderately soluble	Low	No	No	No	No	No	No	No	-2.5	1	2	0	1	2	0.550000000000000044
132	338.379999999999995	C20H20NO4	\N	\N	1	COc1cc2CC[n+]3c(c2cc1O)cc1c(c3)c(OC)c(cc1)OC	25	16	0.25	3	4	1	97.3299999999999983	51.7999999999999972	-0.0899999999999999967	3.41999999999999993	3.08000000000000007	1.78000000000000003	3.43000000000000016	2.33000000000000007	-4.37000000000000011	0.0145000000000000007	4.27999999999999968e-05	Moderately soluble	-4.19000000000000039	0.0219999999999999987	6.49000000000000054e-05	Moderately soluble	-5.71999999999999975	0.000640000000000000052	1.8899999999999999e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-5.94000000000000039	0	0	0	0	0	0.550000000000000044
133	448.379999999999995	C21H20O11	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O	32	16	0.28999999999999998	3	11	8	108.629999999999995	201.280000000000001	1.60000000000000009	-0.149999999999999994	-0.530000000000000027	-2.50999999999999979	-0.140000000000000013	-0.340000000000000024	-2.70000000000000018	0.900000000000000022	0.00201000000000000007	Soluble	-3.62000000000000011	0.106999999999999998	0.000239000000000000009	Soluble	-1.79000000000000004	7.32000000000000028	0.0162999999999999985	Soluble	Low	No	No	No	No	No	No	No	-9.14000000000000057	2	1	1	1	3	0.170000000000000012
134	204.349999999999994	C15H24	\N	\N	1	CC1=C[C@H]2[C@@]3([C@H]1CC[C@H]3C)CC(C2)(C)C	15	0	0.869999999999999996	0	0	0	66.8799999999999955	0	3.25999999999999979	4.69000000000000039	4.41999999999999993	5.65000000000000036	3.91000000000000014	4.38999999999999968	-4.05999999999999961	0.0177000000000000005	8.67999999999999956e-05	Moderately soluble	-4.41999999999999993	0.00779999999999999964	3.82000000000000002e-05	Moderately soluble	-3.52000000000000002	0.0618999999999999967	0.000302999999999999992	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.21999999999999975	1	0	0	0	1	0.550000000000000044
135	303.350000000000023	C17H21NO4	\N	\N	1	OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@@H]1[C@H]2O1)C	22	6	0.589999999999999969	5	5	1	83.480000000000004	62.2999999999999972	2.52000000000000002	0.979999999999999982	0.540000000000000036	1.18999999999999995	1.48999999999999999	1.34000000000000008	-2.20999999999999996	1.87000000000000011	0.00617000000000000014	Soluble	-1.87999999999999989	4.03000000000000025	0.0132999999999999993	Very soluble	-2.20000000000000018	1.92999999999999994	0.00636999999999999979	Soluble	High	No	No	No	No	No	Yes	No	-7.45000000000000018	0	0	0	0	0	0.550000000000000044
136	388.370000000000005	C17H24O10	\N	\N	1	O=CC[C@H]1[C@@H](C=C)[C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	27	0	0.650000000000000022	8	10	4	88.0400000000000063	151.97999999999999	2.06999999999999984	-1.62000000000000011	-1.78000000000000003	-1.94999999999999996	-1.03000000000000003	-0.859999999999999987	-0.699999999999999956	77.5999999999999943	0.200000000000000011	Very soluble	-1.06000000000000005	33.7000000000000028	0.0868000000000000022	Very soluble	1.30000000000000004	7780	20	Soluble	Low	No	No	No	No	No	No	No	-9.82000000000000028	0	1	1	1	1	0.110000000000000001
138	204.349999999999994	C15H24	\N	\N	1	CC1=CC[C@@](CC1)(C)[C@@]1(C)CCCC1=C	15	0	0.729999999999999982	1	0	0	68.519999999999996	0	3.16999999999999993	4.66999999999999993	4.87000000000000011	4.62999999999999989	4.83000000000000007	4.44000000000000039	-3.97999999999999998	0.0212000000000000001	0.000103999999999999994	Soluble	-4.40000000000000036	0.00818999999999999936	4.00999999999999989e-05	Moderately soluble	-4.21999999999999975	0.0123999999999999996	6.06999999999999982e-05	Moderately soluble	Low	No	No	No	Yes	Yes	No	No	-4.23000000000000043	1	0	0	0	1	0.550000000000000044
139	216.189999999999998	C12H8O4	\N	\N	1	COc1c2oc(=O)ccc2cc2c1occ2	16	13	0.0800000000000000017	1	4	0	58.75	52.5799999999999983	2.2200000000000002	2	2.54999999999999982	1.17999999999999994	2.87999999999999989	2.16000000000000014	-2.97999999999999998	0.229000000000000009	0.00105999999999999996	Soluble	-2.72999999999999998	0.402000000000000024	0.00186000000000000011	Soluble	-4.62999999999999989	0.0050099999999999997	2.32000000000000015e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-6.20000000000000018	0	0	0	0	0	0.550000000000000044
140	150.219999999999999	C10H14O	\N	\N	1	O=C1C[C@]2([C@@H](C1=C)C2)C(C)C	11	0	0.699999999999999956	1	1	0	45.4200000000000017	17.0700000000000003	2.2799999999999998	2.16000000000000014	2.18000000000000016	2.20000000000000018	2.89999999999999991	2.33999999999999986	-2.06999999999999984	1.29000000000000004	0.00859000000000000041	Soluble	-2.14999999999999991	1.06000000000000005	0.0070600000000000003	Soluble	-2.37999999999999989	0.631000000000000005	0.00419999999999999974	Soluble	High	Yes	No	No	No	No	No	No	-5.67999999999999972	0	1	0	0	2	0.550000000000000044
141	427.399999999999977	C19H25NO10	\N	\N	1	N#C[C@@H](c1ccccc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O	30	6	0.630000000000000004	6	11	6	95.9200000000000017	182.090000000000003	1.85000000000000009	-2.64999999999999991	-2.79000000000000004	-3.04999999999999982	-2.2200000000000002	-1.77000000000000002	-0.569999999999999951	114	0.268000000000000016	Very soluble	-0.630000000000000004	101	0.236999999999999988	Very soluble	0.949999999999999956	3830	8.94999999999999929	Soluble	Low	No	No	No	No	No	No	No	-10.7899999999999991	2	1	1	1	4	0.170000000000000012
142	348.350000000000023	C20H16N2O4	\N	\N	1	CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccccc4cc3Cn1c2=O	26	16	0.25	1	5	1	95.3100000000000023	81.4200000000000017	2.49000000000000021	1.73999999999999999	1.82000000000000006	1.6399999999999999	3.29000000000000004	2.20000000000000018	-3.49000000000000021	0.114000000000000004	0.000326999999999999979	Soluble	-3.06999999999999984	0.298999999999999988	0.000858000000000000039	Soluble	-5.83000000000000007	0.000519999999999999954	1.48999999999999992e-06	Moderately soluble	High	No	Yes	Yes	No	Yes	No	Yes	-7.19000000000000039	0	0	0	0	0	0.550000000000000044
144	426.720000000000027	C30H50O	\N	\N	1	CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O)C)C)C	31	0	0.930000000000000049	4	1	1	135.139999999999986	20.2300000000000004	5.16000000000000014	9.77999999999999936	8.16999999999999993	6.91999999999999993	7.51999999999999957	7.50999999999999979	-8.38000000000000078	1.76999999999999999e-06	4.14000000000000018e-09	Poorly soluble	-10.1199999999999992	3.2000000000000002e-08	7.49999999999999995e-11	Insoluble	-6.87000000000000011	5.76999999999999998e-05	1.35000000000000004e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-1.95999999999999996	1	3	0	1	2	0.550000000000000044
145	150.219999999999999	C10H14O	\N	\N	1	CC1=CC(=O)C(=C(C)C)CC1	11	0	0.5	0	1	0	47.3200000000000003	17.0700000000000003	2.31000000000000005	2.24000000000000021	2.62999999999999989	2.10000000000000009	2.75	2.41000000000000014	-2.18000000000000016	0.986999999999999988	0.00657000000000000032	Soluble	-2.22999999999999998	0.876000000000000001	0.00583000000000000011	Soluble	-2.35999999999999988	0.656000000000000028	0.00436999999999999975	Soluble	High	Yes	No	No	No	No	No	No	-5.62999999999999989	0	1	0	0	2	0.550000000000000044
146	374.339999999999975	C16H22O10	\N	\N	1	O=CC[C@H]1[C@@H](C=C)[C@@H](OC=C1C(=O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	26	0	0.619999999999999996	7	10	5	83.7199999999999989	162.97999999999999	1.18999999999999995	-1.94999999999999996	-1.8600000000000001	-2.18999999999999995	-1.57000000000000006	-1.28000000000000003	-0.469999999999999973	127	0.339000000000000024	Very soluble	-0.949999999999999956	42	0.112000000000000002	Very soluble	1.98999999999999999	36800	98.4000000000000057	Soluble	Low	No	No	No	No	No	No	No	-9.97000000000000064	0	1	1	1	1	0.110000000000000001
147	204.349999999999994	C15H24	\N	\N	1	CC(=C)[C@H]1CC=C2[C@@](C1)(C)[C@@H](C)CCC2	15	0	0.729999999999999982	1	0	0	68.7800000000000011	0	3.18000000000000016	5.24000000000000021	4.73000000000000043	4.62999999999999989	4.13999999999999968	4.37999999999999989	-4.33999999999999986	0.00928999999999999965	4.55000000000000014e-05	Moderately soluble	-4.99000000000000021	0.00209999999999999987	1.02999999999999996e-05	Moderately soluble	-3.54999999999999982	0.0579000000000000001	0.000282999999999999994	Soluble	Low	No	No	No	Yes	Yes	No	No	-3.83000000000000007	1	0	0	0	2	0.550000000000000044
148	362.420000000000016	C20H26O6	\N	\N	1	O=C[C@]12CCC[C@@]([C@H]2[C@@H]([C@@]23[C@H]1CC[C@](C3)(C(=C)C2)O)C(=O)O)(C)C(=O)O	26	0	0.75	3	6	3	93.4899999999999949	111.900000000000006	1.43999999999999995	0.689999999999999947	2.25	1.8899999999999999	2.31999999999999984	1.71999999999999997	-2.31999999999999984	1.71999999999999997	0.00474999999999999988	Soluble	-2.62000000000000011	0.875	0.00240999999999999982	Soluble	-2.14999999999999991	2.58000000000000007	0.00713000000000000005	Soluble	High	No	Yes	No	No	No	No	No	-8.01999999999999957	0	0	0	0	0	0.560000000000000053
150	289.370000000000005	C17H23NO3	\N	\N	1	OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C	21	6	0.589999999999999969	5	4	1	84.5100000000000051	49.7700000000000031	3.02000000000000002	1.83000000000000007	1.55000000000000004	2.02000000000000002	2.0299999999999998	2.08999999999999986	-2.66999999999999993	0.620999999999999996	0.00215	Soluble	-2.5	0.925000000000000044	0.00320000000000000015	Soluble	-2.93000000000000016	0.341000000000000025	0.00118000000000000006	Soluble	High	Yes	No	No	No	No	Yes	No	-6.76999999999999957	0	0	0	0	0	0.550000000000000044
151	141.210000000000008	C8H15NO	\N	\N	1	O[C@@H]1C[C@H]2CC[C@@H](C1)N2C	10	0	1	0	2	1	44.3100000000000023	23.4699999999999989	1.96999999999999997	0.75	0.220000000000000001	0.900000000000000022	0.599999999999999978	0.890000000000000013	-1.18999999999999995	9.16000000000000014	0.0648999999999999994	Very soluble	-0.819999999999999951	21.3000000000000007	0.150999999999999995	Very soluble	-0.25	79.4000000000000057	0.562000000000000055	Soluble	High	No	No	No	No	No	No	No	-6.62999999999999989	0	1	0	0	1	0.550000000000000044
152	512.549999999999955	C27H32N2O8	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2/C(=C/C)/[C@@H]3C[C@@H]4N2[C@@H]2[C@H]3[C@H]([C@@]3(C2)C4=Nc2c3cccc2)OC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	37	6	0.630000000000000004	5	10	4	136.909999999999997	141.280000000000001	2.81000000000000005	-0.200000000000000011	-0.619999999999999996	0.330000000000000016	0.299999999999999989	0.520000000000000018	-2.68000000000000016	1.07000000000000006	0.00207999999999999982	Soluble	-2.31000000000000005	2.50999999999999979	0.00489000000000000025	Soluble	-1.53000000000000003	15.1999999999999993	0.0296000000000000013	Soluble	Low	No	Yes	No	No	No	Yes	No	-9.57000000000000028	1	3	1	1	0	0.550000000000000044
153	536.870000000000005	C40H56	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\\C	40	0	0.450000000000000011	10	0	0	184.430000000000007	0	7.88999999999999968	13.5399999999999991	12.6099999999999994	8.96000000000000085	12.6500000000000004	11.1300000000000008	-11.0399999999999991	4.9099999999999998e-09	9.15000000000000039e-12	Insoluble	-13.5999999999999996	1.34000000000000003e-11	2.50000000000000008e-14	Insoluble	-7.58999999999999986	1.38e-05	2.56000000000000009e-08	Poorly soluble	Low	No	Yes	No	No	No	No	No	0.0400000000000000008	2	4	0	1	2	0.170000000000000012
154	329.389999999999986	C19H23NO4	\N	\N	1	COc1ccc(cc1O)C[C@@H]1N(C)CCc2c1cc(O)c(c2)OC	24	12	0.369999999999999996	4	5	2	97.0100000000000051	62.1599999999999966	3.31999999999999984	3.00999999999999979	2.18000000000000016	1.75	2.91999999999999993	2.64000000000000012	-3.87999999999999989	0.0429999999999999966	0.000129999999999999989	Soluble	-3.97999999999999998	0.0345000000000000029	0.000105000000000000004	Soluble	-4.71999999999999975	0.00625000000000000035	1.9000000000000001e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	No	-6.16999999999999993	0	0	0	0	0	0.550000000000000044
155	327.370000000000005	C19H21NO4	\N	\N	1	COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(O)c(cc1)OC	24	12	0.369999999999999996	2	5	2	95.0499999999999972	62.1599999999999966	3.06999999999999984	2.58999999999999986	1.90999999999999992	1.75	2.68000000000000016	2.39999999999999991	-3.74000000000000021	0.0597000000000000031	0.000182000000000000006	Soluble	-3.54000000000000004	0.0934999999999999998	0.000286000000000000013	Soluble	-4.48000000000000043	0.0108000000000000006	3.30000000000000025e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.45999999999999996	0	0	0	0	0	0.550000000000000044
157	352.430000000000007	C21H24N2O3	\N	\N	1	COC(=O)[C@H]([C@H]1C[C@@H]2N(C/C/1=C/C)CCc1c2[nH]c2c1cccc2)C=O	26	9	0.429999999999999993	4	4	1	104.700000000000003	62.3999999999999986	2.56999999999999984	2.22999999999999998	2.31999999999999984	2.04999999999999982	3.66999999999999993	2.56999999999999984	-3.41999999999999993	0.133000000000000007	0.000378000000000000027	Soluble	-3.18000000000000016	0.234999999999999987	0.00066699999999999995	Soluble	-4.54999999999999982	0.0100000000000000002	2.83999999999999991e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.87000000000000011	0	0	0	0	0	0.550000000000000044
158	409.430000000000007	C14H19NO9S2	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/Cc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	26	6	0.5	7	10	5	91.5699999999999932	199.789999999999992	0.930000000000000049	-0.220000000000000001	-0.0200000000000000004	-1.64999999999999991	-1.72999999999999998	-0.540000000000000036	-1.94999999999999996	4.61000000000000032	0.0112999999999999993	Very soluble	-3.52000000000000002	0.123999999999999999	0.000302999999999999992	Soluble	-0.0899999999999999967	331	0.809000000000000052	Soluble	Low	No	Yes	No	No	No	No	No	-8.94999999999999929	0	0	1	1	1	0.110000000000000001
159	246.219999999999999	C13H10O5	\N	\N	1	COc1c2ccc(=O)oc2c(c2c1cco2)OC	18	13	0.149999999999999994	2	5	0	65.2399999999999949	61.8100000000000023	2.49000000000000021	1.96999999999999997	2.56000000000000005	0.890000000000000013	2.87999999999999989	2.16000000000000014	-3.00999999999999979	0.240999999999999992	0.000977000000000000004	Soluble	-2.89000000000000012	0.315000000000000002	0.0012800000000000001	Soluble	-4.75999999999999979	0.0042599999999999999	1.73000000000000004e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-6.40000000000000036	0	0	0	0	0	0.550000000000000044
160	246.300000000000011	C15H18O3	\N	\N	1	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)C=C1)C	18	0	0.599999999999999978	0	3	0	68.1500000000000057	43.3699999999999974	2.25999999999999979	2.29000000000000004	2.41999999999999993	2.37999999999999989	2.64000000000000012	2.39999999999999991	-2.81000000000000005	0.382000000000000006	0.00154999999999999995	Soluble	-2.83999999999999986	0.356999999999999984	0.0014499999999999999	Soluble	-2.68999999999999995	0.501000000000000001	0.00203000000000000012	Soluble	High	Yes	No	No	No	No	No	No	-6.17999999999999972	0	0	0	0	0	0.550000000000000044
161	152.22999999999999	C10H16O	\N	\N	1	CC([C@]12C[C@@H]2C(=C)[C@@H](C1)O)C	11	0	0.800000000000000044	1	1	1	46.3800000000000026	20.2300000000000004	2.16000000000000014	1.79000000000000004	1.96999999999999997	2.29999999999999982	2.31000000000000005	2.10999999999999988	-1.85000000000000009	2.16999999999999993	0.0143000000000000002	Very soluble	-1.83000000000000007	2.22999999999999998	0.0146999999999999995	Very soluble	-1.68999999999999995	3.14000000000000012	0.0206999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-5.95999999999999996	0	1	0	0	2	0.550000000000000044
162	189.210000000000008	C8H15NO4	\N	\N	1	O[C@@H]1[C@@H](O)CN2[C@@H]([C@H]1O)[C@@H](O)CC2	13	0	1	0	5	4	47.7999999999999972	84.1599999999999966	0.780000000000000027	-2.24000000000000021	-2.85999999999999988	-1.65999999999999992	-1.93999999999999995	-1.58000000000000007	0.400000000000000022	473	2.5	Highly soluble	1.01000000000000001	1920	10.0999999999999996	Highly soluble	2.02000000000000002	19600	104	Soluble	Low	No	Yes	No	No	No	No	No	-9.03999999999999915	0	1	0	0	2	0.550000000000000044
163	470.680000000000007	C30H46O4	\N	\N	1	O=C1C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@]2([C@]2([C@H]1[C@@]1(C)CC[C@@H](C([C@@H]1CC2)(C)C)O)C)C)C(=O)O	34	0	0.869999999999999996	1	4	2	136.849999999999994	74.5999999999999943	3.4700000000000002	5.49000000000000021	6.41000000000000014	4.87000000000000011	5.54999999999999982	5.16000000000000014	-6.15000000000000036	0.000331999999999999993	7.05999999999999996e-07	Poorly soluble	-6.80999999999999961	7.21000000000000043e-05	1.53000000000000007e-07	Poorly soluble	-6	0.000474999999999999999	1.01000000000000007e-06	Moderately soluble	High	No	Yes	No	No	No	No	No	-5.26999999999999957	1	3	0	1	1	0.560000000000000053
164	822.92999999999995	C42H62O16	\N	\N	1	O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C	58	0	0.859999999999999987	7	16	8	202.840000000000003	267.04000000000002	2.2799999999999998	2.79999999999999982	2.25	0.0200000000000000004	0.520000000000000018	1.57000000000000006	-6.24000000000000021	0.000469000000000000016	5.70000000000000048e-07	Poorly soluble	-8.0600000000000005	7.08999999999999988e-06	8.62000000000000043e-09	Poorly soluble	-1.3899999999999999	33.7999999999999972	0.0410000000000000017	Soluble	Low	No	Yes	No	No	No	No	No	-9.33000000000000007	3	3	1	1	4	0.110000000000000001
167	210.22999999999999	C11H14O4	\N	\N	1	OC/C=C/c1cc(OC)c(c(c1)OC)O	15	6	0.270000000000000018	4	4	2	57.509999999999998	58.9200000000000017	2.18999999999999995	1.27000000000000002	1.31000000000000005	0.839999999999999969	1.76000000000000001	1.46999999999999997	-1.97999999999999998	2.2200000000000002	0.0106	Very soluble	-2.10999999999999988	1.64999999999999991	0.00783000000000000015	Soluble	-2	2.08000000000000007	0.00991000000000000041	Soluble	High	Yes	No	No	No	No	No	No	-6.67999999999999972	0	0	0	0	0	0.550000000000000044
281	148.159999999999997	C9H8O2	\N	\N	1	O=C/C=C/c1ccc(cc1)O	11	6	0	2	2	1	43.5600000000000023	37.2999999999999972	1.31000000000000005	1.75	1.5	1.35000000000000009	1.97999999999999998	1.58000000000000007	-2.12999999999999989	1.09000000000000008	0.00736999999999999982	Soluble	-2.14999999999999991	1.05000000000000004	0.0070699999999999999	Soluble	-1.84000000000000008	2.14000000000000012	0.0145000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-5.95999999999999996	0	2	0	0	1	0.550000000000000044
168	154.25	C10H18O	\N	\N	1	O[C@H]1[C@@]2(C)CC[C@@H](C1(C)C)C2	11	0	1	0	1	1	46.6000000000000014	20.2300000000000004	2.35999999999999988	3.16999999999999993	2.18999999999999995	2.45000000000000018	2.27000000000000002	2.49000000000000021	-2.79000000000000004	0.247999999999999998	0.0016100000000000001	Soluble	-3.27000000000000002	0.0836999999999999966	0.000542999999999999971	Soluble	-1.90999999999999992	1.91999999999999993	0.0123999999999999996	Soluble	High	Yes	No	No	No	No	No	No	-4.99000000000000021	0	1	0	0	2	0.550000000000000044
169	151.210000000000008	C9H13NO	\N	\N	1	CNCCc1ccc(cc1)O	11	6	0.330000000000000016	3	2	2	45.8500000000000014	32.259999999999998	1.8600000000000001	1.6100000000000001	1.14999999999999991	1.53000000000000003	1.68999999999999995	1.57000000000000006	-2	1.52000000000000002	0.0100999999999999996	Very soluble	-1.89999999999999991	1.90999999999999992	0.0126000000000000001	Very soluble	-3.04999999999999982	0.134000000000000008	0.000885000000000000044	Soluble	High	Yes	No	Yes	No	No	No	No	-6.08000000000000007	0	1	0	0	1	0.550000000000000044
171	154.25	C10H18O	\N	\N	1	CC([C@@]12CC[C@@]([C@H]2C1)(C)O)C	11	0	1	1	1	1	46.8999999999999986	20.2300000000000004	2.35000000000000009	2.12000000000000011	2.18999999999999995	2.45000000000000018	2.43999999999999995	2.31000000000000005	-2.06999999999999984	1.33000000000000007	0.00859000000000000041	Soluble	-2.18000000000000016	1.03000000000000003	0.00666999999999999971	Soluble	-1.90999999999999992	1.91999999999999993	0.0123999999999999996	Soluble	High	Yes	No	No	No	No	No	No	-5.74000000000000021	0	1	0	0	2	0.550000000000000044
172	150.219999999999999	C10H14O	\N	\N	1	CC1=CC(=O)[C@H](CC1)C(=C)C	11	0	0.5	1	1	0	47.3200000000000003	17.0700000000000003	2.2200000000000002	2.2799999999999998	2.49000000000000021	2.10000000000000009	2.64000000000000012	2.35000000000000009	-2.14000000000000012	1.08000000000000007	0.00721999999999999986	Soluble	-2.2799999999999998	0.796000000000000041	0.00530000000000000002	Soluble	-2.16000000000000014	1.04000000000000004	0.00694999999999999958	Soluble	High	Yes	No	No	No	No	No	No	-5.59999999999999964	0	1	0	0	2	0.550000000000000044
173	270.240000000000009	C15H10O5	\N	\N	1	Oc1ccc(c(c1)O)c1coc2c(c1=O)ccc(c2)O	20	16	0	1	5	3	73.9899999999999949	90.9000000000000057	1.3600000000000001	2.10999999999999988	2.58000000000000007	0.520000000000000018	2.52000000000000002	1.82000000000000006	-3.37000000000000011	0.115000000000000005	0.000426000000000000001	Soluble	-3.64999999999999991	0.0604999999999999982	0.000223999999999999997	Soluble	-4.40000000000000036	0.0106999999999999994	3.94000000000000022e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-6.45000000000000018	0	0	0	0	0	0.550000000000000044
174	374.379999999999995	C20H22O7	\N	\N	1	Oc1ccc(c(c1)O)[C@@H]1COc2c(C1=O)c(O)cc(c2CCC(O)(C)C)O	27	12	0.349999999999999978	4	7	5	98.9899999999999949	127.450000000000003	2.35000000000000009	2.75	2.56999999999999984	0.550000000000000044	2.66999999999999993	2.18000000000000016	-3.95999999999999996	0.0412000000000000005	0.000110000000000000004	Soluble	-5.08000000000000007	0.00309999999999999989	8.29000000000000025e-06	Moderately soluble	-3.83999999999999986	0.0536000000000000018	0.000143000000000000006	Soluble	High	No	Yes	No	No	No	Yes	No	-6.62999999999999989	0	0	0	0	0	0.550000000000000044
175	314.20999999999998	C10H20O7P2	\N	\N	1	C/C(=C/COP(=O)(OP(=O)(O)O)O)/CCC=C(C)C	19	0	0.599999999999999978	8	7	3	72.2199999999999989	132.909999999999997	1.29000000000000004	0.709999999999999964	2.91000000000000014	0.550000000000000044	0.469999999999999973	1.18999999999999995	-1.70999999999999996	6.16000000000000014	0.0195999999999999994	Very soluble	-3.08000000000000007	0.262000000000000011	0.000833999999999999997	Soluble	-0.209999999999999992	194	0.616999999999999993	Soluble	High	No	No	No	No	No	No	No	-7.70999999999999996	0	0	0	1	0	0.560000000000000053
177	264.360000000000014	C15H24N2O2	\N	\N	1	O[C@H]1CCN2[C@@H](C1)[C@@H]1C[C@H](C2)[C@@H]2N(C1)C(=O)CCC2	19	0	0.930000000000000049	0	3	1	80.75	43.7800000000000011	2.43999999999999995	0.599999999999999978	0.0800000000000000017	1.41999999999999993	0.419999999999999984	0.989999999999999991	-1.8600000000000001	3.66999999999999993	0.0138999999999999992	Very soluble	-1.09000000000000008	21.3000000000000007	0.080699999999999994	Very soluble	-0.869999999999999996	35.3999999999999986	0.134000000000000008	Soluble	High	No	Yes	No	No	No	No	No	-7.49000000000000021	0	0	0	0	0	0.550000000000000044
178	480.629999999999995	C27H44O7	\N	\N	1	O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(O)CC[C@@H]2[C@]([C@@H](CCC(O)(C)C)O)(O)C)C	34	0	0.890000000000000013	5	7	6	129.740000000000009	138.449999999999989	2.87000000000000011	0.46000000000000002	1.85000000000000009	1.12999999999999989	2.43000000000000016	1.75	-2.7799999999999998	0.798000000000000043	0.00166000000000000002	Soluble	-2.93999999999999995	0.557000000000000051	0.00116000000000000001	Soluble	-2.33000000000000007	2.22999999999999998	0.00464999999999999962	Soluble	High	No	Yes	No	No	No	No	No	-8.91000000000000014	1	2	0	1	1	0.550000000000000044
179	150.169999999999987	C9H10O2	\N	\N	1	OC/C=C/c1ccc(cc1)O	11	6	0.110000000000000001	2	2	2	44.5200000000000031	40.4600000000000009	1.51000000000000001	1.32000000000000006	1.29000000000000004	1.43999999999999995	1.67999999999999994	1.44999999999999996	-1.87000000000000011	2.00999999999999979	0.0134000000000000005	Very soluble	-1.77000000000000002	2.54999999999999982	0.0170000000000000012	Very soluble	-1.71999999999999997	2.83999999999999986	0.0189000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-6.28000000000000025	0	1	0	0	1	0.550000000000000044
180	178.180000000000007	C10H10O3	\N	\N	1	O=C/C=C/c1ccc(c(c1)OC)O	13	6	0.100000000000000006	3	3	1	50.0499999999999972	46.5300000000000011	1.75	1.51000000000000001	1.5	1.04000000000000004	2.00999999999999979	1.56000000000000005	-2.04000000000000004	1.62999999999999989	0.00912999999999999923	Soluble	-2.10000000000000009	1.42999999999999994	0.00803000000000000068	Soluble	-1.98999999999999999	1.84000000000000008	0.0103000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-6.30999999999999961	0	0	0	0	1	0.550000000000000044
181	398.5	C23H30N2O4	\N	\N	1	COc1ccc2c(c1)N(C)[C@@H]1[C@@]32CCN2[C@H]3[C@@](C[C@]1(O)C(=O)OC)(CC)C=CC2	29	6	0.609999999999999987	4	5	1	117.519999999999996	62.240000000000002	3.31999999999999984	2.75999999999999979	1.34000000000000008	2.18000000000000016	2.04000000000000004	2.33000000000000007	-3.93999999999999995	0.0459000000000000033	0.000115000000000000003	Soluble	-3.7200000000000002	0.0754999999999999977	0.00019000000000000001	Soluble	-3.87999999999999989	0.0524999999999999981	0.00013200000000000001	Soluble	High	Yes	No	No	No	No	Yes	No	-6.76999999999999957	0	0	0	0	0	0.550000000000000044
182	286.279999999999973	C16H14O5	\N	\N	1	COc1ccc(cc1)[C@H]1COc2c(C1=O)c(O)cc(c2)O	21	12	0.190000000000000002	2	5	2	76.0400000000000063	75.9899999999999949	2.33000000000000007	2.87999999999999989	2.4700000000000002	0.959999999999999964	2.56999999999999984	2.24000000000000021	-3.7200000000000002	0.0544999999999999998	0.00019000000000000001	Soluble	-4.13999999999999968	0.0210000000000000013	7.32000000000000039e-05	Moderately soluble	-4.12000000000000011	0.0218999999999999993	7.66000000000000052e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-6	0	0	0	0	0	0.550000000000000044
184	152.22999999999999	C10H16O	\N	\N	1	CC1(C)[C@@H]2C[C@@H]3[C@@]([C@H]1C2)(C)O3	11	0	1	0	1	0	44.7100000000000009	12.5299999999999994	2.50999999999999979	2.12999999999999989	2.20999999999999996	2.45000000000000018	2.70000000000000018	2.39999999999999991	-2.12999999999999989	1.1399999999999999	0.00749000000000000013	Soluble	-2.02000000000000002	1.43999999999999995	0.00945000000000000007	Soluble	-1.97999999999999998	1.58000000000000007	0.0103999999999999995	Soluble	High	Yes	No	No	No	No	No	No	-5.71999999999999975	0	1	0	0	2	0.550000000000000044
185	165.22999999999999	C10H15NO	\N	\N	1	CN[C@H]([C@H](c1ccccc1)O)C	12	6	0.400000000000000022	3	2	2	49.7899999999999991	32.259999999999998	1.92999999999999994	0.930000000000000049	1	1.56000000000000005	1.56000000000000005	1.39999999999999991	-1.62000000000000011	3.93999999999999995	0.0239000000000000011	Very soluble	-1.18999999999999995	10.5999999999999996	0.0640000000000000013	Very soluble	-2.74000000000000021	0.302999999999999992	0.00183000000000000003	Soluble	High	Yes	No	No	No	No	No	No	-6.65000000000000036	0	0	0	0	1	0.550000000000000044
186	248.319999999999993	C15H20O3	\N	\N	1	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)CC1)C	18	0	0.729999999999999982	0	3	0	68.6299999999999955	43.3699999999999974	2.31000000000000005	2.08999999999999986	2.64000000000000012	2.4700000000000002	3.04999999999999982	2.50999999999999979	-2.70000000000000018	0.5	0.00201000000000000007	Soluble	-2.62999999999999989	0.580999999999999961	0.00234000000000000007	Soluble	-3.16000000000000014	0.171999999999999986	0.000692000000000000015	Soluble	High	Yes	No	No	No	No	No	No	-6.33000000000000007	0	0	0	0	0	0.550000000000000044
187	302.240000000000009	C15H10O7	\N	\N	1	Oc1ccc(cc1)c1oc2c(O)c(O)cc(c2c(=O)c1O)O	22	16	0	1	7	5	78.0300000000000011	131.360000000000014	1.5	2.16999999999999993	1.98999999999999999	-0.560000000000000053	1.54000000000000004	1.33000000000000007	-3.54999999999999982	0.0845999999999999946	0.000279999999999999975	Soluble	-4.55999999999999961	0.00829000000000000049	2.73999999999999985e-05	Moderately soluble	-3.24000000000000021	0.172999999999999987	0.00057300000000000005	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.59999999999999964	0	0	0	0	0	0.550000000000000044
188	340.279999999999973	C15H16O9	\N	\N	1	COc1cc(/C=C/C(=O)O[C@H](C(=O)O)CC(=O)O)cc(c1O)OC	24	6	0.270000000000000018	9	9	3	80.4000000000000057	139.590000000000003	1.69999999999999996	0.910000000000000031	0.780000000000000027	0.0899999999999999967	0.890000000000000013	0.869999999999999996	-2.10999999999999988	2.62000000000000011	0.00768999999999999979	Soluble	-3.43000000000000016	0.127000000000000002	0.000373999999999999983	Soluble	-1.02000000000000002	32.1000000000000014	0.0943999999999999978	Soluble	High	No	No	No	No	No	No	No	-7.73000000000000043	0	0	0	1	0	0.560000000000000053
189	355.430000000000007	C21H25NO4	\N	\N	1	COc1cc2CCN3[C@H](c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC	26	12	0.429999999999999993	4	5	0	103.989999999999995	40.1599999999999966	3.66999999999999993	3.24000000000000021	2.52000000000000002	2.20000000000000018	3.75	3.08000000000000007	-4.16000000000000014	0.0245000000000000009	6.88000000000000054e-05	Moderately soluble	-3.75999999999999979	0.0621999999999999983	0.000174999999999999998	Soluble	-5.87000000000000011	0.000480999999999999982	1.34999999999999999e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.16999999999999993	0	0	0	0	0	0.550000000000000044
191	320.25	C15H12O8	\N	\N	1	Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O	23	12	0.130000000000000004	1	8	6	76.7800000000000011	147.680000000000007	0.67000000000000004	0.589999999999999969	0.569999999999999951	-1.15999999999999992	0.179999999999999993	0.170000000000000012	-2.52000000000000002	0.972999999999999976	0.00304000000000000017	Soluble	-3.25999999999999979	0.173999999999999988	0.000543999999999999996	Soluble	-1.43999999999999995	11.5999999999999996	0.0361000000000000001	Soluble	Low	No	No	No	No	No	No	No	-7.83000000000000007	1	0	1	1	1	0.550000000000000044
192	287.310000000000002	C16H17NO4	\N	\N	1	Oc1cc(ccc1O)C[C@@H]1NCCc2c1cc(O)c(c2)O	21	12	0.25	2	5	5	83.1700000000000017	92.9500000000000028	1.80000000000000004	1.8899999999999999	1.22999999999999998	1.04000000000000004	1.92999999999999994	1.58000000000000007	-3.10000000000000009	0.227000000000000007	0.000788999999999999988	Soluble	-3.45999999999999996	0.0985999999999999932	0.000342999999999999989	Soluble	-3.66999999999999993	0.0621000000000000024	0.000215999999999999992	Soluble	High	No	Yes	No	No	No	Yes	No	-6.70999999999999996	0	0	0	0	0	0.550000000000000044
193	284.259999999999991	C16H12O5	\N	\N	1	COc1ccc(c(c1)O)c1coc2c(c1=O)ccc(c2)O	21	16	0.0599999999999999978	2	5	2	78.4599999999999937	79.9000000000000057	2.0299999999999998	2.43999999999999995	2.87999999999999989	0.770000000000000018	3.0299999999999998	2.22999999999999998	-3.56999999999999984	0.0763000000000000067	0.000268000000000000009	Soluble	-3.75999999999999979	0.0492999999999999966	0.000173000000000000004	Soluble	-5.09999999999999964	0.00224999999999999983	7.9100000000000005e-06	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-6.29999999999999982	0	0	0	0	0	0.550000000000000044
194	320.29000000000002	C16H16O7	\N	\N	1	O=C(O[C@@H]1CC(=C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(cc1)O	23	6	0.25	5	7	4	79.7999999999999972	124.290000000000006	0.939999999999999947	0.57999999999999996	0.340000000000000024	0.170000000000000012	0.320000000000000007	0.469999999999999973	-2.04999999999999982	2.83000000000000007	0.00882999999999999931	Soluble	-2.75999999999999979	0.553000000000000047	0.00172999999999999998	Soluble	-0.530000000000000027	94.2999999999999972	0.293999999999999984	Soluble	High	No	No	No	No	No	No	No	-7.83999999999999986	0	0	0	0	0	0.560000000000000053
195	154.25	C10H18O	\N	\N	1	CC1=C[C@@H]([C@H](CC1)C(C)C)O	11	0	0.800000000000000044	1	1	1	48.759999999999998	20.2300000000000004	2.39999999999999991	2.12999999999999989	2.35999999999999988	2.29999999999999982	2.04000000000000004	2.25	-2.06999999999999984	1.31000000000000005	0.0084700000000000001	Soluble	-2.18999999999999995	1	0.00651000000000000016	Soluble	-1.45999999999999996	5.40000000000000036	0.0350000000000000033	Soluble	High	Yes	No	No	No	No	No	No	-5.73000000000000043	0	1	0	0	2	0.550000000000000044
197	314.20999999999998	C10H20O7P2	\N	\N	1	C[C@]12CC[C@@H](C2(C)C)C[C@@H]1OP(=O)(OP(=O)(O)O)O	19	0	1	4	7	3	68.4200000000000017	132.909999999999997	0.479999999999999982	0.320000000000000007	2.43000000000000016	0.340000000000000024	-0.0700000000000000067	0.699999999999999956	-1.72999999999999998	5.91000000000000014	0.0188000000000000007	Very soluble	-2.66999999999999993	0.665000000000000036	0.00211999999999999992	Soluble	-0.270000000000000018	168	0.536000000000000032	Soluble	High	No	Yes	No	No	No	No	No	-7.99000000000000021	0	0	0	1	0	0.560000000000000053
198	222.370000000000005	C15H26O	\N	\N	1	OC/C=C(\\CC/C=C(/CCC=C(C)C)\\C)/C	16	0	0.599999999999999978	7	1	1	73.9599999999999937	20.2300000000000004	3.70999999999999996	5.41999999999999993	4.40000000000000036	3.85999999999999988	4.20999999999999996	4.32000000000000028	-4.16999999999999993	0.0149999999999999994	6.73999999999999984e-05	Moderately soluble	-5.59999999999999964	0.000558000000000000011	2.51000000000000011e-06	Moderately soluble	-3.14999999999999991	0.156	0.000699999999999999993	Soluble	High	Yes	No	Yes	No	Yes	No	No	-3.81000000000000005	0	0	0	0	2	0.550000000000000044
199	368.430000000000007	C21H24N2O4	\N	\N	1	COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@@H]1NCCc2c1[nH]c1c2cccc1)C=C)O	27	9	0.380000000000000004	5	5	3	106.180000000000007	83.5799999999999983	2.70999999999999996	2.18999999999999995	1.8600000000000001	1.64999999999999991	2.99000000000000021	2.2799999999999998	-3.41999999999999993	0.140000000000000013	0.000380000000000000021	Soluble	-3.58000000000000007	0.0971000000000000058	0.00026400000000000002	Soluble	-4.41999999999999993	0.0138999999999999992	3.77999999999999972e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-6.99000000000000021	0	0	0	0	0	0.560000000000000053
200	305.370000000000005	C17H23NO4	\N	\N	1	OC[C@@H](c1ccccc1)C(=O)O[C@H]1C[C@@H]2C[C@H]([C@H](C1)N2C)O	22	6	0.589999999999999969	5	5	2	85.6700000000000017	70	2.56000000000000005	0.859999999999999987	0.520000000000000018	1.18999999999999995	1.1399999999999999	1.25	-2.14999999999999991	2.18000000000000016	0.00713000000000000005	Soluble	-1.90999999999999992	3.72999999999999998	0.0122000000000000008	Very soluble	-2.12000000000000011	2.33000000000000007	0.00764000000000000009	Soluble	High	No	No	No	No	No	No	No	-7.54999999999999982	0	0	0	0	0	0.550000000000000044
201	339.389999999999986	C20H21NO4	\N	\N	1	COc1c(OC)ccc2c1CN1CCc3c([C@@H]1C2)cc1c(c3)OCO1	25	12	0.400000000000000022	2	5	0	97.0699999999999932	40.1599999999999966	3.56999999999999984	3.10999999999999988	2.22999999999999998	2.37999999999999989	3.52000000000000002	2.95999999999999996	-4.12999999999999989	0.025399999999999999	7.46999999999999997e-05	Moderately soluble	-3.62000000000000011	0.0811000000000000054	0.000239000000000000009	Soluble	-5.37999999999999989	0.00142000000000000004	4.1999999999999996e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-6.16000000000000014	0	0	0	0	0	0.550000000000000044
202	220.349999999999994	C15H24O	\N	\N	1	O=C/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C	16	0	0.530000000000000027	7	1	0	73	17.0700000000000003	3.47999999999999998	4.88999999999999968	4.59999999999999964	3.75999999999999979	4.51999999999999957	4.25	-3.81999999999999984	0.0330000000000000016	0.000149999999999999987	Soluble	-4.98000000000000043	0.00228999999999999993	1.04000000000000004e-05	Moderately soluble	-3.27000000000000002	0.117000000000000007	0.000532000000000000029	Soluble	High	Yes	No	Yes	No	Yes	No	No	-4.16999999999999993	0	0	0	0	1	0.550000000000000044
203	530.57000000000005	C27H34N2O9	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]([C@H]2C=C)C[C@@H]2NCCc3c2[nH]c2c3cccc2)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	38	9	0.520000000000000018	8	10	6	138.560000000000002	162.72999999999999	2.33000000000000007	0.599999999999999978	-0.309999999999999998	-0.589999999999999969	0.890000000000000013	0.57999999999999996	-3.14999999999999991	0.371999999999999997	0.000699999999999999993	Soluble	-3.58999999999999986	0.13600000000000001	0.000255999999999999988	Soluble	-2.66000000000000014	1.16999999999999993	0.00220000000000000013	Soluble	Low	No	Yes	No	No	No	No	No	-9.10999999999999943	3	3	1	1	2	0.110000000000000001
205	462.360000000000014	C21H18O12	\N	\N	1	OC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	33	16	0.239999999999999991	4	12	7	108.739999999999995	207.349999999999994	1.56000000000000005	0.969999999999999973	-0.149999999999999994	-2.12000000000000011	-0.569999999999999951	-0.0599999999999999978	-3.41000000000000014	0.178999999999999992	0.000386999999999999974	Soluble	-4.91000000000000014	0.0056600000000000001	1.22000000000000001e-05	Moderately soluble	-1.62999999999999989	10.8000000000000007	0.0233000000000000013	Soluble	Low	No	Yes	No	No	No	No	No	-8.42999999999999972	2	0	1	1	3	0.110000000000000001
206	272.25	C15H12O5	\N	\N	1	Oc1ccc(c(c1)O)[C@@H]1COc2c(C1=O)ccc(c2)O	20	12	0.130000000000000004	1	5	3	71.5699999999999932	86.9899999999999949	1.23999999999999999	2.00999999999999979	2.16000000000000014	0.709999999999999964	2.04999999999999982	1.62999999999999989	-3.16999999999999993	0.182999999999999996	0.000672999999999999987	Soluble	-3.45999999999999996	0.0936000000000000026	0.000344000000000000013	Soluble	-3.41999999999999993	0.103999999999999995	0.000382000000000000015	Soluble	High	No	Yes	No	No	No	No	No	-6.53000000000000025	0	0	0	0	0	0.550000000000000044
207	364.389999999999986	C19H24O7	\N	\N	1	OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C[C@@H]([C@@H]([C@@]2(C)C(=O)O3)O)O	26	0	0.790000000000000036	1	7	4	88.5	124.290000000000006	1.6399999999999999	-0.75	0.220000000000000001	0.949999999999999956	0.819999999999999951	0.57999999999999996	-1.56000000000000005	10	0.0275000000000000001	Very soluble	-1.37999999999999989	15.0999999999999996	0.0413999999999999993	Very soluble	-1.1100000000000001	28	0.0768999999999999961	Soluble	High	No	Yes	No	No	No	No	No	-9.0600000000000005	0	0	0	0	0	0.560000000000000053
208	228.240000000000009	C14H12O3	\N	\N	1	Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O	17	12	0	2	3	3	67.8799999999999955	60.6899999999999977	1.70999999999999996	3.12999999999999989	2.75999999999999979	2.25999999999999979	2.56999999999999984	2.47999999999999998	-3.62000000000000011	0.0551000000000000031	0.000241000000000000003	Soluble	-4.07000000000000028	0.0193000000000000012	8.44000000000000051e-05	Moderately soluble	-3.29000000000000004	0.117999999999999994	0.000515999999999999966	Soluble	High	Yes	No	Yes	No	Yes	No	Yes	-5.46999999999999975	0	0	0	0	0	0.550000000000000044
209	290.269999999999982	C15H14O6	\N	\N	1	Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2[C@@H]([C@@H]1O)O)O	21	12	0.200000000000000011	1	6	5	73.4699999999999989	110.379999999999995	1.39999999999999991	0.660000000000000031	0.680000000000000049	-0.0200000000000000004	0.560000000000000053	0.660000000000000031	-2.41000000000000014	1.12000000000000011	0.00387000000000000018	Soluble	-2.54999999999999982	0.810000000000000053	0.00278999999999999995	Soluble	-1.90999999999999992	3.54999999999999982	0.0122000000000000008	Soluble	High	No	No	No	No	No	No	No	-7.59999999999999964	0	0	0	0	0	0.550000000000000044
210	351.420000000000016	C21H23N2O3	\N	\N	1	COC(=O)/C(=C\\O)/[C@H]1C[C@@H]2[N+](=C/C/1=C/C)CCc1c2[nH]c2c1cccc2	26	9	0.330000000000000016	3	3	2	106.859999999999999	65.3299999999999983	-1.07000000000000006	2.68999999999999995	2.7200000000000002	1.97999999999999998	2.75	1.81000000000000005	-3.77000000000000002	0.0594999999999999973	0.000168999999999999988	Soluble	-3.70999999999999996	0.0677999999999999992	0.000193000000000000002	Soluble	-4.54999999999999982	0.0099699999999999997	2.83999999999999991e-05	Moderately soluble	High	Yes	Yes	No	No	No	No	No	-6.53000000000000025	0	0	0	0	0	0.560000000000000053
212	174.150000000000006	C10H6O3	\N	\N	1	O=C1C=CC(=O)c2c1c(O)ccc2	13	6	0	0	3	1	46.2700000000000031	54.3699999999999974	1.46999999999999997	1.91999999999999993	1.33000000000000007	0.299999999999999989	1.77000000000000002	1.3600000000000001	-2.4700000000000002	0.588999999999999968	0.00338000000000000019	Soluble	-2.68999999999999995	0.358999999999999986	0.0020600000000000002	Soluble	-2.24000000000000021	1.01000000000000001	0.00579000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-6	0	1	0	0	1	0.550000000000000044
213	594.519999999999982	C27H30O15	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O	42	16	0.440000000000000002	5	15	10	139.849999999999994	260.199999999999989	0.900000000000000022	-1.23999999999999999	-1.67999999999999994	-3.83000000000000007	-1.65999999999999992	-1.5	-2.70000000000000018	1.19999999999999996	0.00201000000000000007	Soluble	-3.72999999999999998	0.111000000000000001	0.000186999999999999992	Soluble	-0.569999999999999951	160	0.270000000000000018	Soluble	Low	No	Yes	No	No	No	No	No	-10.8100000000000005	3	4	1	1	3	0.170000000000000012
214	285.339999999999975	C17H19NO3	\N	\N	1	O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2	21	6	0.349999999999999978	4	3	0	85.4699999999999989	38.7700000000000031	3.41999999999999993	3.45999999999999996	2.50999999999999979	2.39000000000000012	3.41000000000000014	3.04000000000000004	-3.74000000000000021	0.0524000000000000021	0.000184	Soluble	-3.95999999999999996	0.0316000000000000031	0.000111000000000000001	Soluble	-3	0.286999999999999977	0.00100000000000000002	Soluble	High	Yes	No	Yes	Yes	Yes	No	No	-5.58000000000000007	0	0	0	0	0	0.550000000000000044
215	542.42999999999995	C15H10O16S3	\N	\N	1	Oc1ccc(cc1OS(=O)(=O)O)c1oc2cc(cc(c2c(=O)c1OS(=O)(=O)O)O)OS(=O)(=O)O	34	16	0	7	16	5	108.629999999999995	286.610000000000014	-0.0200000000000000004	0.380000000000000004	3.66000000000000014	-1.69999999999999996	-3.12999999999999989	-0.160000000000000003	-3.33000000000000007	0.254000000000000004	0.000469000000000000016	Soluble	-5.95999999999999996	0.000589000000000000005	1.08999999999999994e-06	Moderately soluble	-2.02000000000000002	5.13999999999999968	0.00948000000000000058	Soluble	Low	No	Yes	No	No	No	No	No	-9.33999999999999986	2	1	1	1	2	0.110000000000000001
216	542.42999999999995	C15H10O16S3	\N	\N	1	Oc1cc(ccc1OS(=O)(=O)O)c1oc2cc(cc(c2c(=O)c1OS(=O)(=O)O)O)OS(=O)(=O)O	34	16	0	7	16	5	108.629999999999995	286.610000000000014	-0.839999999999999969	0.380000000000000004	3.66000000000000014	-1.69999999999999996	-3.12999999999999989	-0.330000000000000016	-3.33000000000000007	0.254000000000000004	0.000469000000000000016	Soluble	-5.95999999999999996	0.000589000000000000005	1.08999999999999994e-06	Moderately soluble	-2.02000000000000002	5.13999999999999968	0.00948000000000000058	Soluble	Low	No	Yes	No	No	No	No	No	-9.33999999999999986	2	1	1	1	2	0.110000000000000001
217	448.379999999999995	C21H20O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	32	16	0.28999999999999998	4	11	7	108.129999999999995	190.280000000000001	1.76000000000000001	1.45999999999999996	-0.239999999999999991	-2.10000000000000009	-0.119999999999999996	0.149999999999999994	-3.64999999999999991	0.101000000000000006	0.000225999999999999991	Soluble	-5.05999999999999961	0.00388999999999999979	8.67e-06	Moderately soluble	-2.10000000000000009	3.54999999999999982	0.00791000000000000036	Soluble	Low	No	Yes	No	No	No	No	No	-8	2	0	1	1	3	0.170000000000000012
218	416.639999999999986	C27H44O3	\N	\N	1	C[C@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	30	0	1	0	3	1	122.069999999999993	38.6899999999999977	4.54000000000000004	6.49000000000000021	5.79000000000000004	5.08000000000000007	4.29999999999999982	5.24000000000000021	-6.50999999999999979	0.000127999999999999994	3.08000000000000005e-07	Poorly soluble	-7.09999999999999964	3.32000000000000006e-05	7.97000000000000056e-08	Poorly soluble	-4.50999999999999979	0.0129	3.10000000000000014e-05	Moderately soluble	High	Yes	No	No	No	No	No	No	-4.23000000000000043	1	2	0	0	1	0.550000000000000044
220	594.519999999999982	C27H30O15	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O	42	16	0.440000000000000002	6	15	10	138.990000000000009	260.199999999999989	0.100000000000000006	-1.3899999999999999	-2.41000000000000014	-4.09999999999999964	-1.79000000000000004	-1.91999999999999993	-2.54000000000000004	1.72999999999999998	0.00290999999999999983	Soluble	-3.56999999999999984	0.159000000000000002	0.000266999999999999985	Soluble	-0.589999999999999969	154	0.259000000000000008	Soluble	Low	No	Yes	No	No	No	No	No	-10.9100000000000001	3	4	1	1	3	0.170000000000000012
221	318.240000000000009	C15H10O8	\N	\N	1	Oc1cc(ccc1O)c1oc2c(O)c(O)cc(c2c(=O)c1O)O	23	16	0	1	8	6	80.0600000000000023	151.590000000000003	1.33000000000000007	1.81000000000000005	1.68999999999999995	-1.08000000000000007	1.06000000000000005	0.959999999999999964	-3.39999999999999991	0.126000000000000001	0.000395999999999999976	Soluble	-4.61000000000000032	0.0077600000000000004	2.44000000000000002e-05	Moderately soluble	-2.66000000000000014	0.697999999999999954	0.00219000000000000011	Soluble	Low	No	No	Yes	No	No	Yes	Yes	-6.95999999999999996	1	0	1	1	2	0.550000000000000044
222	341.399999999999977	C20H23NO4	\N	\N	1	COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)OC	25	12	0.400000000000000022	3	5	1	99.519999999999996	51.1599999999999966	3.41999999999999993	2.91000000000000014	2.2200000000000002	1.97999999999999998	3.20999999999999996	2.75	-3.95000000000000018	0.0386000000000000024	0.000112999999999999996	Soluble	-3.64999999999999991	0.0772999999999999937	0.000225999999999999991	Soluble	-5.17999999999999972	0.00227999999999999991	6.66999999999999967e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.32000000000000028	0	0	0	0	0	0.550000000000000044
223	791.029999999999973	C45H76O7P2	\N	\N	1	C/C(=C\\CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(OP(=O)(O)O)O)/C)/C)/C)/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C)\\C)\\C	54	0	0.599999999999999978	29	7	3	237.150000000000006	132.909999999999997	7.62999999999999989	13.7100000000000009	14.9900000000000002	7.25999999999999979	13.2699999999999996	11.3699999999999992	-11.4700000000000006	2.69000000000000002e-09	3.40999999999999981e-12	Insoluble	-16.5700000000000003	2.13000000000000014e-14	2.70000000000000012e-17	Insoluble	-8.65000000000000036	1.76999999999999999e-06	2.24000000000000012e-09	Poorly soluble	Low	No	Yes	No	No	No	No	No	-1.3899999999999999	2	4	1	2	3	0.560000000000000053
224	722.909999999999968	C40H68O7P2	\N	\N	1	C/C(=C\\CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(OP(=O)(O)O)O)/C)/C)/C)/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C)\\C	49	0	0.599999999999999978	26	7	3	213.580000000000013	132.909999999999997	6.96999999999999975	11.8499999999999996	13.2599999999999998	6.5	11.4000000000000004	10	-10.0700000000000003	6.12999999999999997e-08	8.47999999999999941e-11	Insoluble	-14.6400000000000006	1.65999999999999999e-12	2.2999999999999999e-15	Insoluble	-7.46999999999999975	2.44999999999999992e-05	3.38999999999999992e-08	Poorly soluble	Low	No	Yes	No	No	No	No	No	-2.29999999999999982	2	4	1	2	3	0.560000000000000053
226	654.789999999999964	C35H60O7P2	\N	\N	1	C/C(=C\\CC/C(=C/CC/C(=C/COP(=O)(OP(=O)(O)O)O)/C)/C)/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C)\\C	44	0	0.599999999999999978	23	7	3	190.02000000000001	132.909999999999997	5.91999999999999993	9.99000000000000021	11.5399999999999991	5.70000000000000018	9.53999999999999915	8.53999999999999915	-8.67999999999999972	1.37999999999999992e-06	2.10999999999999995e-09	Poorly soluble	-12.7100000000000009	1.27999999999999997e-10	1.95000000000000002e-13	Insoluble	-6.28000000000000025	0.000340000000000000024	5.19999999999999998e-07	Poorly soluble	Low	No	No	No	No	Yes	No	No	-3.20000000000000018	2	4	1	2	3	0.560000000000000053
227	518.559999999999945	C25H44O7P2	\N	\N	1	C/C(=C\\CC/C(=C/COP(=O)(OP(=O)(O)O)O)/C)/CC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C	34	0	0.599999999999999978	17	7	3	142.900000000000006	132.909999999999997	4.13999999999999968	6.28000000000000025	8.08000000000000007	3.93000000000000016	5.83000000000000007	5.65000000000000036	-5.88999999999999968	0.000668999999999999998	1.28999999999999993e-06	Moderately soluble	-8.85999999999999943	7.16999999999999975e-07	1.37999999999999999e-09	Poorly soluble	-3.89000000000000012	0.0671000000000000069	0.000128999999999999991	Soluble	Low	No	Yes	No	No	Yes	No	No	-5	1	4	1	2	2	0.560000000000000053
228	256.25	C15H12O4	\N	\N	1	Oc1ccc2c(c1)OC[C@@H]1[C@H]2Oc2c1ccc(c2)O	19	12	0.200000000000000011	0	4	2	68.7000000000000028	58.9200000000000017	1.87000000000000011	2.43999999999999995	2.37999999999999989	1.62000000000000011	2.25	2.10999999999999988	-3.43000000000000016	0.0945000000000000007	0.000369000000000000025	Soluble	-3.31999999999999984	0.122999999999999998	0.000478000000000000018	Soluble	-3.60999999999999988	0.0627999999999999947	0.000244999999999999992	Soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-6.12999999999999989	0	0	0	0	0	0.550000000000000044
229	300.259999999999991	C16H12O6	\N	\N	1	COc1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2O)O	22	16	0.0599999999999999978	2	6	3	80.480000000000004	100.129999999999995	2.43999999999999995	3.10000000000000009	2.58999999999999986	0.220000000000000001	2.54999999999999982	2.18000000000000016	-4.05999999999999961	0.0261000000000000017	8.68999999999999981e-05	Moderately soluble	-4.87000000000000011	0.00404000000000000019	1.34999999999999995e-05	Moderately soluble	-4.51999999999999957	0.00906999999999999994	3.01999999999999988e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.92999999999999972	0	0	0	0	0	0.550000000000000044
230	143.210000000000008	C6H9NOS	\N	\N	1	Cc1ncsc1CCO	9	5	0.5	2	2	1	38.009999999999998	61.3599999999999994	1.64999999999999991	0.849999999999999978	0.989999999999999991	-0.0899999999999999967	2.62000000000000011	1.19999999999999996	-1.54000000000000004	4.11000000000000032	0.0286999999999999998	Very soluble	-1.71999999999999997	2.7200000000000002	0.0189999999999999995	Very soluble	-1.8899999999999999	1.84000000000000008	0.0129	Soluble	High	Yes	No	No	No	No	No	No	-6.57000000000000028	0	3	0	0	1	0.550000000000000044
232	316.259999999999991	C16H12O7	\N	\N	1	COc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(c(c1)O)O	23	16	0.0599999999999999978	2	7	4	82.5	120.359999999999999	2	2.70999999999999996	2.29000000000000004	-0.309999999999999998	2.06000000000000005	1.75	-3.89000000000000012	0.0407000000000000001	0.000128999999999999991	Soluble	-4.88999999999999968	0.00406999999999999983	1.29000000000000002e-05	Moderately soluble	-3.93999999999999995	0.0364999999999999977	0.000115000000000000003	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.30999999999999961	0	0	0	0	0	0.550000000000000044
233	344.319999999999993	C18H16O7	\N	\N	1	COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)O)OC	25	16	0.170000000000000012	4	7	2	91.4399999999999977	98.3599999999999994	3.25	3.60999999999999988	2.89999999999999991	0.170000000000000012	3.12000000000000011	2.60999999999999988	-4.45999999999999996	0.0120000000000000002	3.47999999999999988e-05	Moderately soluble	-5.36000000000000032	0.00149	4.33999999999999995e-06	Moderately soluble	-5.33000000000000007	0.00162999999999999994	4.7199999999999997e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.83999999999999986	0	0	0	0	0	0.550000000000000044
234	595.529999999999973	C27H31O15	\N	\N	1	Oc1cc(O)c2c(c1)[o+]c(c(c2)O[C@@H]1O[C@@H](CO[C@H]2O[C@H](C)[C@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O)c1ccc(c(c1)O)O	42	16	0.440000000000000002	6	15	10	139.52000000000001	252.360000000000014	-1.55000000000000004	-1.51000000000000001	-0.770000000000000018	-3.08000000000000007	-3.43000000000000016	-2.06999999999999984	-2.4700000000000002	2.0299999999999998	0.00340999999999999984	Soluble	-3.2799999999999998	0.309999999999999998	0.000519999999999999954	Soluble	0.280000000000000027	1150	1.91999999999999993	Soluble	Low	No	No	No	No	No	No	No	-11	3	4	1	1	3	0.170000000000000012
235	332.259999999999991	C16H12O8	\N	\N	1	COc1c(O)cc(c2c1oc(c1ccc(c(c1)O)O)c(c2=O)O)O	24	16	0.0599999999999999978	2	8	5	84.5300000000000011	140.590000000000003	1.93999999999999995	2.14000000000000012	2	-0.82999999999999996	1.59000000000000008	1.37000000000000011	-3.60999999999999988	0.0816000000000000059	0.000246000000000000016	Soluble	-4.71999999999999975	0.0062700000000000004	1.88999999999999986e-05	Moderately soluble	-3.35000000000000009	0.146999999999999992	0.00044299999999999998	Soluble	Low	No	No	Yes	No	No	Yes	Yes	-6.80999999999999961	0	0	1	1	0	0.550000000000000044
236	360.310000000000002	C18H16O8	\N	\N	1	COc1c(oc2c(c1=O)c(O)c(c(c2)OC)OC)c1ccc(c(c1)O)O	26	16	0.170000000000000012	4	8	3	93.4599999999999937	118.590000000000003	2.35999999999999988	2.79000000000000004	2.60000000000000009	-0.349999999999999978	2.64999999999999991	2.00999999999999979	-4.01999999999999957	0.0342000000000000012	9.48000000000000004e-05	Moderately soluble	-4.94000000000000039	0.0041700000000000001	1.16000000000000007e-05	Moderately soluble	-4.74000000000000021	0.00655999999999999986	1.81999999999999985e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.51999999999999957	0	0	0	0	0	0.550000000000000044
237	927.259999999999991	C55H92O7P2	\N	\N	1	C/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)(OP(=O)(O)O)O)/C)/C)/C)/C)/CC/C=C(\\CC/C=C(\\CC/C=C(\\CC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C)/C)/C)/C	64	0	0.599999999999999978	35	7	3	284.269999999999982	132.909999999999997	9.6899999999999995	17.4200000000000017	18.4400000000000013	8.67999999999999972	17.0100000000000016	14.25	-14.25	5.16999999999999998e-12	5.57999999999999995e-15	Insoluble	-20.4200000000000017	3.52999999999999971e-18	3.80999999999999964e-21	Insoluble	-10.9900000000000002	9.3999999999999998e-09	1.00999999999999994e-11	Insoluble	Low	No	Yes	No	No	No	No	No	0.409999999999999976	2	4	1	2	3	0.560000000000000053
238	940.67999999999995	C41H32O26	\N	\N	1	O=C(c1cc(O)c(c(c1)O)O)O[C@H]1O[C@@H](COC(=O)c2cc(O)c(c(c2)O)O)[C@H]([C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O	67	30	0.149999999999999994	16	26	15	214.27000000000001	444.180000000000007	-0.650000000000000022	3.58999999999999986	1.68999999999999995	-3.22999999999999998	-1.6100000000000001	-0.0400000000000000008	-7.20999999999999996	5.81000000000000028e-05	6.17999999999999975e-08	Poorly soluble	-12.5999999999999996	2.34000000000000019e-10	2.48999999999999999e-13	Insoluble	-1.83000000000000007	13.8000000000000007	0.0146999999999999995	Soluble	Low	No	Yes	No	No	No	No	No	-9.49000000000000021	3	3	2	1	5	0.170000000000000012
240	346.29000000000002	C17H14O8	\N	\N	1	COc1cc2oc(c3ccc(c(c3)O)O)c(c(=O)c2c(c1O)O)OC	25	16	0.119999999999999996	3	8	4	89	129.590000000000003	2.29000000000000004	2.45999999999999996	2.29999999999999982	-0.589999999999999969	2.12000000000000011	1.71999999999999997	-3.81000000000000005	0.0533000000000000002	0.000154000000000000003	Soluble	-4.83000000000000007	0.00517999999999999971	1.50000000000000004e-05	Moderately soluble	-4.04999999999999982	0.0309999999999999998	8.94999999999999935e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.66999999999999993	0	0	0	0	0	0.550000000000000044
241	432.379999999999995	C21H20O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	31	16	0.28999999999999998	4	10	6	106.109999999999999	170.050000000000011	1.97999999999999998	1.81000000000000005	0.0500000000000000028	-1.6100000000000001	0.349999999999999978	0.520000000000000018	-3.7799999999999998	0.0719000000000000056	0.000165999999999999996	Soluble	-5	0.00432000000000000006	9.98999999999999922e-06	Moderately soluble	-2.68999999999999995	0.877000000000000002	0.00203000000000000012	Soluble	Low	No	Yes	No	No	No	No	No	-7.65000000000000036	1	0	1	1	2	0.550000000000000044
310	264.319999999999993	C15H20O4	\N	\N	1	OC(=O)/C=C(\\C=C\\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C	19	0	0.469999999999999973	3	4	2	73.5900000000000034	74.5999999999999943	2.12000000000000011	1.6100000000000001	2.25	1.43999999999999995	2.50999999999999979	1.98999999999999999	-2.29999999999999982	1.34000000000000008	0.00506999999999999985	Soluble	-2.79000000000000004	0.429999999999999993	0.00162999999999999994	Soluble	-1.68999999999999995	5.34999999999999964	0.0201999999999999992	Soluble	High	Yes	No	No	No	No	No	No	-6.76999999999999957	0	0	0	0	0	0.560000000000000053
242	430.620000000000005	C27H42O4	\N	\N	1	OC[C@]1(C)CC[C@@]2(O1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	31	0	0.930000000000000049	1	4	2	122.790000000000006	58.9200000000000017	4.11000000000000032	4.44000000000000039	4.83000000000000007	4.08999999999999986	3.93999999999999995	4.28000000000000025	-5.24000000000000021	0.00246999999999999997	5.7400000000000001e-06	Moderately soluble	-5.40000000000000036	0.00172999999999999998	4.01999999999999963e-06	Moderately soluble	-4.25	0.0244000000000000015	5.66000000000000002e-05	Moderately soluble	High	Yes	Yes	No	No	No	No	No	-5.76999999999999957	0	1	0	0	0	0.550000000000000044
243	564.490000000000009	C26H28O14	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO	40	16	0.419999999999999984	7	14	8	132.560000000000002	228.969999999999999	2.31000000000000005	-0.359999999999999987	-1.48999999999999999	-3.16000000000000014	-0.719999999999999973	-0.680000000000000049	-2.95000000000000018	0.638000000000000012	0.00112999999999999993	Soluble	-3.99000000000000021	0.0582999999999999977	0.000102999999999999996	Soluble	-1.91999999999999993	6.83000000000000007	0.0120999999999999996	Soluble	Low	No	Yes	No	No	No	No	No	-10	3	3	1	1	3	0.170000000000000012
244	814.610000000000014	C33H34O24	\N	\N	1	O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(c(c2)O)O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O[C@@H]([C@H]1O)C(=O)O	57	16	0.450000000000000011	10	24	13	174.469999999999999	399.79000000000002	-0.630000000000000004	-1.19999999999999996	-4.66999999999999993	-6.09999999999999964	-5.66000000000000014	-3.64999999999999991	-3.68000000000000016	0.169000000000000011	0.000207999999999999987	Soluble	-6.70000000000000018	0.000162000000000000007	1.98999999999999995e-07	Poorly soluble	2.9700000000000002	764000	938	Soluble	Low	No	Yes	No	No	No	No	No	-12.1199999999999992	3	4	1	1	4	0.110000000000000001
245	311.29000000000002	C14H17NO7	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H](c2ccc(cc2)O)C#N)[C@@H]([C@H]([C@@H]1O)O)O	22	6	0.5	4	8	5	71.5300000000000011	143.400000000000006	0.57999999999999996	-0.92000000000000004	-1.55000000000000004	-2.10000000000000009	-1.12000000000000011	-1.02000000000000002	-1.12999999999999989	23.1999999999999993	0.0743999999999999939	Very soluble	-1.6100000000000001	7.67999999999999972	0.0246999999999999997	Very soluble	0.239999999999999991	537	1.72999999999999998	Soluble	Low	No	No	No	No	No	No	No	-8.84999999999999964	0	1	1	1	0	0.550000000000000044
247	326.300000000000011	C15H18O8	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccccc2/C=C/C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	23	6	0.400000000000000022	5	8	5	77.2600000000000051	136.680000000000007	1.04000000000000004	-0.569999999999999951	-1.14999999999999991	-1.12000000000000011	-0.719999999999999973	-0.5	-1.37000000000000011	14	0.0429999999999999966	Very soluble	-1.83000000000000007	4.83000000000000007	0.0148000000000000007	Very soluble	0.340000000000000024	717	2.20000000000000018	Soluble	Low	No	No	No	No	No	No	No	-8.69999999999999929	0	1	0	1	0	0.560000000000000053
248	325.360000000000014	C19H19NO4	\N	\N	1	COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c2OCOc2cc1	24	12	0.369999999999999996	1	5	1	92.5999999999999943	51.1599999999999966	3.24000000000000021	2.7799999999999998	1.92999999999999994	2.16000000000000014	2.99000000000000021	2.62000000000000011	-3.91000000000000014	0.039800000000000002	0.000121999999999999997	Soluble	-3.50999999999999979	0.100000000000000006	0.000308999999999999976	Soluble	-4.67999999999999972	0.00674999999999999992	2.06999999999999983e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-6.30999999999999961	0	0	0	0	0	0.550000000000000044
249	323.339999999999975	C19H17NO4	\N	\N	1	C1Oc2c(O1)cc1c(c2)CCN2[C@@H]1Cc1ccc3c(c1C2)OCO3	24	12	0.369999999999999996	0	5	0	90.1500000000000057	40.1599999999999966	3.33999999999999986	2.97999999999999998	1.93999999999999995	2.56000000000000005	3.29999999999999982	2.83000000000000007	-4.08999999999999986	0.0262000000000000011	8.09000000000000013e-05	Moderately soluble	-3.49000000000000021	0.104999999999999996	0.000326000000000000009	Soluble	-4.87999999999999989	0.00421999999999999979	1.30999999999999999e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	Yes	-6.16000000000000014	0	0	0	0	0	0.550000000000000044
250	299.360000000000014	C18H21NO3	\N	\N	1	COc1cc2CCN([C@H](c2cc1O)Cc1ccc(cc1)O)C	22	12	0.330000000000000016	3	4	2	90.519999999999996	52.9299999999999997	2.75	3.04000000000000004	2.16999999999999993	2.08000000000000007	2.87000000000000011	2.58000000000000007	-3.81999999999999984	0.0456000000000000016	0.000152000000000000008	Soluble	-3.81999999999999984	0.0456000000000000016	0.000152000000000000008	Soluble	-4.61000000000000032	0.00734999999999999976	2.44999999999999992e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-5.96999999999999975	0	0	0	0	0	0.550000000000000044
251	596.710000000000036	C36H40N2O6	\N	\N	1	COc1cc2CCN([C@H](c2cc1O)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1N(C)CCc2c1cc(O)c(c2)OC)C	44	24	0.330000000000000016	8	8	3	179.080000000000013	94.8599999999999994	4.91000000000000014	6.04999999999999982	4.75	3.10999999999999988	5.51999999999999957	4.87000000000000011	-7.23000000000000043	3.53999999999999999e-05	5.93000000000000016e-08	Poorly soluble	-7.82000000000000028	9.00000000000000023e-06	1.50999999999999996e-08	Poorly soluble	-9.38000000000000078	2.49999999999999989e-07	4.19999999999999997e-10	Poorly soluble	High	No	No	No	No	No	No	No	-5.63999999999999968	1	3	0	0	1	0.550000000000000044
252	329.389999999999986	C19H23NO4	\N	\N	1	COc1ccc(cc1O)C[C@H]1N(C)CCc2c1cc(O)c(c2)OC	24	12	0.369999999999999996	4	5	2	97.0100000000000051	62.1599999999999966	3.12999999999999989	3.00999999999999979	2.18000000000000016	1.75	2.91999999999999993	2.60000000000000009	-3.87999999999999989	0.0429999999999999966	0.000129999999999999989	Soluble	-3.97999999999999998	0.0345000000000000029	0.000105000000000000004	Soluble	-4.71999999999999975	0.00625000000000000035	1.9000000000000001e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.16999999999999993	0	0	0	0	0	0.550000000000000044
254	353.370000000000005	C20H19NO5	\N	\N	1	CN1CCc2cc3OCOc3cc2C(=O)Cc2c(C1)c1OCOc1cc2	26	12	0.349999999999999978	0	6	0	97.4899999999999949	57.2299999999999969	3.18999999999999995	2.79000000000000004	2.02000000000000002	1.89999999999999991	3.4700000000000002	2.66999999999999993	-4.12999999999999989	0.0262000000000000011	7.40999999999999987e-05	Moderately soluble	-3.64999999999999991	0.0793999999999999984	0.000224999999999999994	Soluble	-5.37999999999999989	0.00147999999999999998	4.17999999999999979e-06	Moderately soluble	High	Yes	Yes	Yes	No	Yes	Yes	Yes	-6.46999999999999975	0	0	0	0	0	0.550000000000000044
255	369.370000000000005	C20H19NO6	\N	\N	1	CN1Cc2c(ccc3c2OCO3)CC(=O)c2c(C[C@H]1O)cc1OCOc1c2	27	12	0.349999999999999978	0	7	1	98.6500000000000057	77.4599999999999937	2.91000000000000014	2.27000000000000002	1.34000000000000008	1.5	2.56000000000000005	2.12000000000000011	-3.89000000000000012	0.0476999999999999993	0.000128999999999999991	Soluble	-3.5299999999999998	0.107999999999999999	0.00029300000000000002	Soluble	-4.55999999999999961	0.0100999999999999996	2.73999999999999985e-05	Moderately soluble	High	No	Yes	Yes	No	Yes	Yes	Yes	-6.94000000000000039	0	0	0	0	0	0.550000000000000044
256	333.339999999999975	C20H15NO4	\N	\N	1	CN1Cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2	25	16	0.200000000000000011	0	4	0	96.7000000000000028	40.1599999999999966	3.35999999999999988	4.12000000000000011	3.37999999999999989	2.85999999999999988	3.87000000000000011	3.52000000000000002	-4.98000000000000043	0.00352000000000000013	1.06000000000000002e-05	Moderately soluble	-4.66999999999999993	0.00713000000000000005	2.13999999999999984e-05	Moderately soluble	-6.05999999999999961	0.000288000000000000007	8.64999999999999977e-07	Poorly soluble	High	Yes	Yes	Yes	Yes	Yes	No	Yes	-5.41000000000000014	0	0	0	0	0	0.550000000000000044
257	379.360000000000014	C21H17NO6	\N	\N	1	COc1cc2OCOc2c2c1c1cc(O)c3c(c1N(C2)C)cc1c(c3)OCO1	28	16	0.239999999999999991	1	6	1	105.209999999999994	69.6200000000000045	3.29999999999999982	3.74000000000000021	3.10000000000000009	2.00999999999999979	3.41000000000000014	3.10999999999999988	-4.91000000000000014	0.00472000000000000024	1.23999999999999999e-05	Moderately soluble	-4.88999999999999968	0.00483999999999999968	1.27999999999999994e-05	Moderately soluble	-5.58000000000000007	0.000989000000000000079	2.61e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-5.95999999999999996	0	0	0	0	0	0.550000000000000044
258	363.360000000000014	C21H17NO5	\N	\N	1	COc1cc2OCOc2c2c1c1ccc3c(c1N(C2)C)cc1c(c3)OCO1	27	16	0.239999999999999991	1	5	0	103.189999999999998	49.3900000000000006	3.66000000000000014	4.08999999999999986	3.39000000000000012	2.54000000000000004	3.89999999999999991	3.52000000000000002	-5.04000000000000004	0.00329999999999999998	9.07999999999999946e-06	Moderately soluble	-4.83000000000000007	0.00534000000000000013	1.46999999999999999e-05	Moderately soluble	-6.16999999999999993	0.000246000000000000016	6.75999999999999965e-07	Poorly soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-5.61000000000000032	0	0	0	0	0	0.550000000000000044
259	315.360000000000014	C18H21NO4	\N	\N	1	COc1cc2CCN([C@H](c2cc1O)Cc1ccc(c(c1)O)O)C	23	12	0.330000000000000016	3	5	3	92.5400000000000063	73.1599999999999966	2.68000000000000016	2.68999999999999995	1.87999999999999989	1.52000000000000002	2.37999999999999989	2.22999999999999998	-3.68000000000000016	0.066199999999999995	0.000210000000000000009	Soluble	-3.87999999999999989	0.041700000000000001	0.00013200000000000001	Soluble	-4.03000000000000025	0.0296000000000000013	9.39999999999999945e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.30999999999999961	0	0	0	0	0	0.550000000000000044
261	329.389999999999986	C19H23NO4	\N	\N	1	COC1=C[C@@]23CCN([C@@H](C2=C[C@@H]1O)Cc1c3c(O)c(cc1)OC)C	24	6	0.469999999999999973	2	5	2	94.6099999999999994	62.1599999999999966	3.10999999999999988	1.40999999999999992	1.35000000000000009	1.30000000000000004	1.76000000000000001	1.79000000000000004	-2.81999999999999984	0.494999999999999996	0.00150000000000000003	Soluble	-2.31999999999999984	1.58000000000000007	0.00478999999999999999	Soluble	-3	0.330000000000000016	0.00100000000000000002	Soluble	High	Yes	Yes	No	No	No	Yes	No	-7.30999999999999961	0	0	0	0	0	0.550000000000000044
262	324.370000000000005	C20H20O4	\N	\N	1	CC(=CCc1c(O)ccc2c1O[C@@H]1[C@H]2COc2c1ccc(c2)O)C	24	12	0.299999999999999989	2	4	2	92.4200000000000017	58.9200000000000017	3.2200000000000002	4.20999999999999996	3.89000000000000012	2.72999999999999998	3.89999999999999991	3.58999999999999986	-4.74000000000000021	0.00587999999999999981	1.80999999999999995e-05	Moderately soluble	-5.16000000000000014	0.00225999999999999986	6.96000000000000028e-06	Moderately soluble	-4.84999999999999964	0.00455000000000000022	1.39999999999999998e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-5.29000000000000004	0	0	0	0	0	0.550000000000000044
263	299.360000000000014	C18H21NO3	\N	\N	1	COc1cc2CCN([C@@H](c2cc1O)Cc1ccc(cc1)O)C	22	12	0.330000000000000016	3	4	2	90.519999999999996	52.9299999999999997	2.74000000000000021	3.04000000000000004	2.16999999999999993	2.08000000000000007	2.87000000000000011	2.58000000000000007	-3.81999999999999984	0.0456000000000000016	0.000152000000000000008	Soluble	-3.81999999999999984	0.0456000000000000016	0.000152000000000000008	Soluble	-4.61000000000000032	0.00734999999999999976	2.44999999999999992e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-5.96999999999999975	0	0	0	0	0	0.550000000000000044
264	349.339999999999975	C20H15NO5	\N	\N	1	Oc1cc2OCOc2c2c1c1ccc3c(c1N(C2)C)cc1c(c3)OCO1	26	16	0.200000000000000011	0	5	1	98.7199999999999989	60.3900000000000006	2.97999999999999998	3.75999999999999979	3.08999999999999986	2.31999999999999984	3.37999999999999989	3.10000000000000009	-4.83000000000000007	0.00517000000000000012	1.48000000000000006e-05	Moderately soluble	-4.71999999999999975	0.00664000000000000007	1.9000000000000001e-05	Moderately soluble	-5.48000000000000043	0.00116000000000000001	3.32999999999999988e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-5.75999999999999979	0	0	0	0	0	0.550000000000000044
265	314.20999999999998	C10H20O7P2	\N	\N	1	C=C[C@](OP(=O)(OP(=O)(O)O)O)(CCC=C(C)C)C	19	0	0.599999999999999978	8	7	3	72.2600000000000051	132.909999999999997	1.04000000000000004	0.540000000000000036	2.89999999999999991	0.550000000000000044	0.469999999999999973	1.10000000000000009	-1.60000000000000009	7.88999999999999968	0.0251000000000000008	Very soluble	-2.89999999999999991	0.393000000000000016	0.00125000000000000003	Soluble	-0.209999999999999992	194	0.616999999999999993	Soluble	High	No	No	No	No	No	No	No	-7.83000000000000007	0	0	0	1	0	0.560000000000000053
266	352.399999999999977	C21H22NO4	\N	\N	1	COc1cc2CC[n+]3c(c2cc1OC)cc1c(c3)c(OC)c(cc1)OC	26	16	0.28999999999999998	4	4	0	101.790000000000006	40.7999999999999972	0.100000000000000006	3.75	3.37999999999999989	2.00999999999999979	3.9700000000000002	2.64000000000000012	-4.58000000000000007	0.00929999999999999924	2.64000000000000013e-05	Moderately soluble	-4.29999999999999982	0.0177000000000000005	5.02000000000000005e-05	Moderately soluble	-6.41999999999999993	0.000135000000000000002	3.82999999999999975e-07	Poorly soluble	High	Yes	Yes	No	No	No	Yes	Yes	-5.79000000000000004	0	0	0	0	0	0.550000000000000044
267	393.389999999999986	C22H19NO6	\N	\N	1	COc1cc2OCOc2c2c1c1cc(OC)c3c(c1N(C2)C)cc1c(c3)OCO1	29	16	0.270000000000000018	2	6	0	109.680000000000007	58.6199999999999974	4.01999999999999957	4.05999999999999961	3.39999999999999991	2.22999999999999998	3.93999999999999995	3.5299999999999998	-5.11000000000000032	0.00303000000000000014	7.71000000000000072e-06	Moderately soluble	-5	0.00398000000000000003	1.00999999999999999e-05	Moderately soluble	-6.28000000000000025	0.000209000000000000012	5.30999999999999977e-07	Poorly soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-5.82000000000000028	0	0	0	0	0	0.550000000000000044
269	286.279999999999973	C16H14O5	\N	\N	1	COc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O	21	12	0.190000000000000002	2	5	2	76.0400000000000063	75.9899999999999949	2.39000000000000012	2.85000000000000009	2.49000000000000021	0.959999999999999964	2.56999999999999984	2.25	-3.70000000000000018	0.0570000000000000021	0.000199000000000000012	Soluble	-4.09999999999999964	0.0224999999999999992	7.85999999999999996e-05	Moderately soluble	-4.12000000000000011	0.0218999999999999993	7.66000000000000052e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	No	Yes	-6.01999999999999957	0	0	0	0	0	0.550000000000000044
270	358.389999999999986	C20H22O6	\N	\N	1	COc1cc(ccc1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc(c(c1)OC)O	26	12	0.400000000000000022	4	6	2	94.9000000000000057	77.3799999999999955	2.66999999999999993	2.2799999999999998	2.54000000000000004	1.16999999999999993	2.66000000000000014	2.25999999999999979	-3.58000000000000007	0.0952000000000000068	0.000266000000000000015	Soluble	-3.54000000000000004	0.102999999999999994	0.000286999999999999983	Soluble	-4.19000000000000039	0.0229000000000000002	6.39999999999999971e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.87000000000000011	0	0	0	0	0	0.550000000000000044
271	446.399999999999977	C22H22O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(c3=O)c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O	32	16	0.320000000000000007	5	10	5	110.579999999999998	159.050000000000011	3.02000000000000002	1.18999999999999995	0.349999999999999978	-1.3899999999999999	0.890000000000000013	0.810000000000000053	-3.39999999999999991	0.178999999999999992	0.000400000000000000019	Soluble	-4.12999999999999989	0.0333999999999999991	7.48000000000000021e-05	Moderately soluble	-3.37999999999999989	0.184999999999999998	0.000415000000000000004	Soluble	Low	No	Yes	No	No	No	No	Yes	-8.17999999999999972	0	0	1	1	1	0.550000000000000044
272	544.940000000000055	C40H64	\N	\N	1	C/C(=C\\C=C\\C=C(\\CC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C)/C)/CC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C	40	0	0.550000000000000044	20	0	0	190.129999999999995	0	8.8100000000000005	15.3399999999999999	13.8300000000000001	9.5	14	12.3000000000000007	-11.5600000000000005	1.49000000000000002e-09	2.74000000000000004e-12	Insoluble	-15.4700000000000006	1.84999999999999994e-13	3.38999999999999987e-16	Insoluble	-9.1899999999999995	3.5400000000000002e-07	6.5000000000000003e-10	Poorly soluble	Low	No	Yes	No	No	No	No	No	1.27000000000000002	2	4	1	1	3	0.170000000000000012
273	542.919999999999959	C40H62	\N	\N	1	C/C(=C\\C=C/C=C(/C=C/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C)\\C)/CC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C	40	0	0.5	19	0	0	189.650000000000006	0	8.82000000000000028	15.4000000000000004	13.6099999999999994	9.41999999999999993	13.8200000000000003	12.2100000000000009	-11.6500000000000004	1.19999999999999999e-09	2.21999999999999983e-12	Insoluble	-15.5299999999999994	1.6e-13	2.93999999999999995e-16	Insoluble	-8.47000000000000064	1.83999999999999996e-06	3.39000000000000008e-09	Poorly soluble	Low	No	Yes	No	No	No	No	No	1.32000000000000006	2	4	1	1	3	0.170000000000000012
274	544.940000000000055	C40H64	\N	\N	1	C/C(=C\\C=C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C)\\C)/CC/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C	40	0	0.550000000000000044	20	0	0	190.129999999999995	0	8.8100000000000005	15.3399999999999999	13.8300000000000001	9.5	14	12.3000000000000007	-11.5600000000000005	1.49000000000000002e-09	2.74000000000000004e-12	Insoluble	-15.4700000000000006	1.84999999999999994e-13	3.38999999999999987e-16	Insoluble	-9.1899999999999995	3.5400000000000002e-07	6.5000000000000003e-10	Poorly soluble	Low	No	Yes	No	No	No	No	No	1.27000000000000002	2	4	1	1	3	0.170000000000000012
276	540.899999999999977	C40H60	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\CC/C=C(/CCC=C(C)C)\\C)/C)/C)/C=C/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C	40	0	0.450000000000000011	18	0	0	189.180000000000007	0	8.8100000000000005	15.4499999999999993	13.3900000000000006	9.34999999999999964	13.6400000000000006	12.1300000000000008	-11.7400000000000002	9.85999999999999904e-10	1.81999999999999992e-12	Insoluble	-15.5800000000000001	1.41000000000000005e-13	2.61000000000000001e-16	Insoluble	-7.75	9.55000000000000004e-06	1.76999999999999997e-08	Poorly soluble	Low	No	Yes	No	No	No	No	No	1.37000000000000011	2	4	1	1	3	0.170000000000000012
277	536.870000000000005	C40H56	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\C=C(\\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\\C)\\C	40	0	0.349999999999999978	16	0	0	188.22999999999999	0	8.57000000000000028	15.5600000000000005	12.9399999999999995	9.21000000000000085	13.2799999999999994	11.9100000000000001	-11.9199999999999999	6.52000000000000023e-10	1.22000000000000005e-12	Insoluble	-15.6999999999999993	1.07999999999999994e-13	2.01000000000000012e-16	Insoluble	-6.32000000000000028	0.000257999999999999983	4.81000000000000032e-07	Poorly soluble	Low	No	Yes	No	No	No	No	No	1.46999999999999997	2	4	1	1	3	0.170000000000000012
278	536.870000000000005	C40H56	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/[C@H]1C(=CCCC1(C)C)C)\\C	40	0	0.450000000000000011	10	0	0	184.430000000000007	0	7.95999999999999996	13.6500000000000004	12.4600000000000009	8.96000000000000085	12.25	11.0600000000000005	-11.1099999999999994	4.1899999999999998e-09	7.79999999999999988e-12	Insoluble	-13.7200000000000006	1.02999999999999993e-11	1.91999999999999996e-14	Insoluble	-7.13999999999999968	3.86999999999999988e-05	7.21000000000000037e-08	Poorly soluble	Low	No	Yes	No	No	No	No	No	0.119999999999999996	2	4	0	1	2	0.170000000000000012
279	536.870000000000005	C40H56	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\\C)\\C	40	0	0.400000000000000022	13	0	0	186.330000000000013	0	8.30000000000000071	14.5199999999999996	12.7699999999999996	8.89000000000000057	12.9600000000000009	11.4900000000000002	-11.4600000000000009	1.86999999999999995e-09	3.48000000000000012e-12	Insoluble	-14.6199999999999992	1.28999999999999996e-12	2.41000000000000011e-15	Insoluble	-6.95999999999999996	5.95000000000000029e-05	1.11000000000000001e-07	Poorly soluble	Low	No	Yes	No	No	No	No	No	0.729999999999999982	2	4	1	1	2	0.170000000000000012
280	412.689999999999998	C29H48O	\N	\N	1	CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	30	0	0.859999999999999987	5	1	1	132.75	20.2300000000000004	5.08000000000000007	8.5600000000000005	7.79999999999999982	6.62000000000000011	6.86000000000000032	6.98000000000000043	-7.45999999999999996	1.43000000000000003e-05	3.45999999999999988e-08	Poorly soluble	-8.85999999999999943	5.71000000000000018e-07	1.37999999999999999e-09	Poorly soluble	-5.46999999999999975	0.00139999999999999999	3.39000000000000015e-06	Moderately soluble	Low	No	No	No	No	Yes	No	No	-2.74000000000000021	1	3	0	1	2	0.550000000000000044
282	208.210000000000008	C11H12O4	\N	\N	1	COc1cc(/C=C/C=O)cc(c1O)OC	15	6	0.179999999999999993	4	4	1	56.5499999999999972	55.759999999999998	1.96999999999999997	1.39999999999999991	1.51000000000000001	0.75	2.06999999999999984	1.54000000000000004	-2.04000000000000004	1.87999999999999989	0.00902000000000000024	Soluble	-2.16999999999999993	1.3899999999999999	0.00668000000000000017	Soluble	-2.12000000000000011	1.57000000000000006	0.00753000000000000023	Soluble	High	Yes	No	No	No	No	No	No	-6.58000000000000007	0	0	0	0	0	0.550000000000000044
283	210.180000000000007	C10H10O5	\N	\N	1	COc1cc(/C=C/C(=O)O)cc(c1O)O	15	6	0.100000000000000006	3	5	3	53.6499999999999986	86.9899999999999949	1.60000000000000009	1.12999999999999989	1.10000000000000009	0.440000000000000002	0.810000000000000053	1.01000000000000001	-1.94999999999999996	2.33999999999999986	0.0111000000000000005	Very soluble	-2.54999999999999982	0.591999999999999971	0.00281	Soluble	-0.849999999999999978	30	0.142999999999999988	Soluble	High	No	No	No	No	No	No	No	-6.78000000000000025	0	0	0	0	0	0.560000000000000053
284	650.539999999999964	C29H30O17	\N	\N	1	OC[C@@]1(O)CO[C@H]([C@@H]1O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)CC(=O)O)Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(cc1)O	46	16	0.409999999999999976	11	17	8	148.879999999999995	272.339999999999975	2.16999999999999993	-0.640000000000000013	-1.45999999999999996	-3.2799999999999998	-0.839999999999999969	-0.810000000000000053	-3	0.64800000000000002	0.000995999999999999924	Soluble	-4.61000000000000032	0.0160999999999999997	2.47999999999999997e-05	Moderately soluble	-1.84000000000000008	9.32000000000000028	0.0143000000000000002	Soluble	Low	No	Yes	No	No	No	No	No	-10.7200000000000006	3	4	2	1	4	0.110000000000000001
285	464.379999999999995	C21H20O12	\N	\N	1	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	33	16	0.28999999999999998	4	12	8	110.159999999999997	210.509999999999991	0.939999999999999947	0.359999999999999987	-0.540000000000000036	-2.58999999999999986	-0.589999999999999969	-0.479999999999999982	-3.04000000000000004	0.422999999999999987	0.000910000000000000002	Soluble	-4.34999999999999964	0.0210000000000000013	4.50999999999999985e-05	Moderately soluble	-1.51000000000000001	14.3000000000000007	0.030800000000000001	Soluble	Low	No	No	No	No	No	No	No	-8.88000000000000078	2	1	1	1	3	0.170000000000000012
286	610.519999999999982	C27H30O16	\N	\N	1	Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O	43	16	0.440000000000000002	6	16	10	141.379999999999995	269.430000000000007	0.46000000000000002	-0.330000000000000016	-1.68999999999999995	-3.89000000000000012	-2.10999999999999988	-1.51000000000000001	-3.29999999999999982	0.307999999999999996	0.000505000000000000024	Soluble	-4.87000000000000011	0.00830000000000000009	1.36000000000000002e-05	Moderately soluble	-0.28999999999999998	315	0.515000000000000013	Soluble	Low	No	Yes	No	No	No	No	No	-10.2599999999999998	3	4	1	1	4	0.170000000000000012
288	448.470000000000027	C16H20N2O9S2	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N\\OS(=O)(=O)O)/Cc2c[nH]c3c2cccc3)[C@@H]([C@H]([C@@H]1O)O)O	29	9	0.440000000000000002	7	10	6	103.430000000000007	215.580000000000013	0.369999999999999996	-0.0899999999999999967	0.46000000000000002	-1.79000000000000004	-1.17999999999999994	-0.450000000000000011	-2.33000000000000007	2.08999999999999986	0.00466000000000000008	Soluble	-3.97999999999999998	0.0463999999999999968	0.000103999999999999994	Soluble	-0.939999999999999947	51.3999999999999986	0.115000000000000005	Soluble	Low	No	No	No	No	No	No	No	-9.09999999999999964	2	0	1	1	2	0.110000000000000001
289	164.159999999999997	C9H8O3	\N	\N	1	OC(=O)/C=C\\c1ccccc1O	12	6	0	2	3	2	45.1300000000000026	57.5300000000000011	1.09000000000000008	2.0299999999999998	1.37999999999999989	1.28000000000000003	1.21999999999999997	1.39999999999999991	-2.37000000000000011	0.692999999999999949	0.00421999999999999979	Soluble	-2.87000000000000011	0.224000000000000005	0.0013600000000000001	Soluble	-1.28000000000000003	8.66999999999999993	0.0527999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-5.86000000000000032	0	0	0	0	1	0.560000000000000053
290	326.300000000000011	C15H18O8	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccccc2/C=C\\C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	23	6	0.400000000000000022	5	8	5	77.2600000000000051	136.680000000000007	1.04000000000000004	-0.569999999999999951	-1.14999999999999991	-1.12000000000000011	-0.719999999999999973	-0.5	-1.37000000000000011	14	0.0429999999999999966	Very soluble	-1.83000000000000007	4.83000000000000007	0.0148000000000000007	Very soluble	0.340000000000000024	717	2.20000000000000018	Soluble	Low	No	No	No	No	No	No	No	-8.69999999999999929	0	1	0	1	0	0.560000000000000053
292	312.319999999999993	C15H20O7	\N	\N	1	OC/C=C/c1ccc(cc1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	22	6	0.469999999999999973	5	7	5	76.6500000000000057	119.609999999999999	1.82000000000000006	-0.770000000000000018	-1.23999999999999999	-1.05000000000000004	-0.280000000000000027	-0.299999999999999989	-1.15999999999999992	21.5	0.0686999999999999972	Very soluble	-1.26000000000000001	17	0.0544999999999999998	Very soluble	-0.119999999999999996	236	0.755000000000000004	Soluble	High	No	No	Yes	No	No	No	No	-8.75	0	1	0	0	0	0.550000000000000044
293	244.240000000000009	C14H12O4	\N	\N	1	Oc1cc(/C=C/c2ccc(c(c2)O)O)cc(c1)O	18	12	0	2	4	4	69.9000000000000057	80.9200000000000017	1.6100000000000001	2.85999999999999988	2.45999999999999996	1.66999999999999993	2.08000000000000007	2.14000000000000012	-3.52000000000000002	0.0742000000000000021	0.000304000000000000017	Soluble	-4.21999999999999975	0.0148000000000000007	6.05000000000000001e-05	Moderately soluble	-2.70999999999999996	0.474999999999999978	0.00194999999999999991	Soluble	High	No	No	Yes	No	Yes	No	Yes	-5.75999999999999979	0	0	0	0	0	0.550000000000000044
294	300.259999999999991	C16H12O6	\N	\N	1	COc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(cc1)O	22	16	0.0599999999999999978	2	6	3	80.480000000000004	100.129999999999995	2.10999999999999988	2.2200000000000002	2.58999999999999986	0.220000000000000001	2.54999999999999982	1.93999999999999995	-3.50999999999999979	0.0936000000000000026	0.000311999999999999994	Soluble	-3.95999999999999996	0.0330999999999999975	0.000110000000000000004	Soluble	-4.51999999999999957	0.00906999999999999994	3.01999999999999988e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-6.55999999999999961	0	0	0	0	0	0.550000000000000044
295	286.240000000000009	C15H10O6	\N	\N	1	Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O	21	16	0	1	6	4	76.0100000000000051	111.129999999999995	1.69999999999999996	1.89999999999999991	2.2799999999999998	-0.0299999999999999989	2.0299999999999998	1.58000000000000007	-3.31000000000000005	0.140000000000000013	0.000489999999999999984	Soluble	-3.85999999999999988	0.039800000000000002	0.000138999999999999991	Soluble	-3.81999999999999984	0.0429000000000000006	0.000149999999999999987	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.70000000000000018	0	0	0	0	0	0.550000000000000044
296	271.240000000000009	C15H11O5	\N	\N	1	Oc1ccc(cc1)c1[o+]c2cc(O)cc(c2cc1O)O	20	16	0	1	5	4	74.1500000000000057	94.0600000000000023	-2.29000000000000004	1.12999999999999989	3.20000000000000018	0.859999999999999987	0.729999999999999982	0.729999999999999982	-2.75999999999999979	0.471999999999999975	0.00174000000000000001	Soluble	-2.70000000000000018	0.542000000000000037	0.00200000000000000004	Soluble	-3.24000000000000021	0.158000000000000002	0.000581000000000000028	Soluble	High	No	Yes	Yes	No	No	No	No	-7.15000000000000036	0	0	0	0	0	0.550000000000000044
297	287.240000000000009	C15H11O6	\N	\N	1	Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1ccc(c(c1)O)O	21	16	0	1	6	5	76.1700000000000017	114.290000000000006	-2.58999999999999986	1.93999999999999995	2.91000000000000014	0.320000000000000007	0.239999999999999991	0.560000000000000053	-3.33999999999999986	0.131000000000000005	0.000456000000000000025	Soluble	-3.95999999999999996	0.0311999999999999986	0.000109000000000000007	Soluble	-2.66000000000000014	0.634000000000000008	0.00221000000000000016	Soluble	High	No	Yes	Yes	No	No	No	No	-6.66999999999999993	0	0	0	0	0	0.550000000000000044
298	306.269999999999982	C15H14O7	\N	\N	1	Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H]([C@H](c2c(c1)O)O)O	22	12	0.200000000000000011	1	7	6	75.5	130.610000000000014	1.04000000000000004	-0.75	0.390000000000000013	-0.560000000000000053	0.0800000000000000017	0.0400000000000000008	-1.60000000000000009	7.62000000000000011	0.0248999999999999985	Very soluble	-1.52000000000000002	9.33999999999999986	0.0304999999999999993	Very soluble	-1.33000000000000007	14.3000000000000007	0.0468000000000000013	Soluble	High	No	No	No	No	No	No	No	-8.69999999999999929	1	0	0	0	1	0.550000000000000044
300	322.269999999999982	C15H14O8	\N	\N	1	Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@H]([C@H](c2c(c1)O)O)O	23	12	0.200000000000000011	1	8	7	77.519999999999996	150.840000000000003	0.729999999999999982	-0.0500000000000000028	0.0899999999999999967	-1.08000000000000007	-0.400000000000000022	-0.140000000000000013	-2.12999999999999989	2.41000000000000014	0.00747000000000000008	Soluble	-2.66999999999999993	0.69399999999999995	0.00215	Soluble	-0.75	57.7000000000000028	0.178999999999999992	Soluble	Low	No	No	No	No	No	No	No	-8.30000000000000071	1	0	1	1	2	0.550000000000000044
301	462.399999999999977	C22H22O11	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)OC)O	33	16	0.320000000000000007	4	11	7	113.099999999999994	190.280000000000001	2.25	0.179999999999999993	-0.220000000000000001	-2.29000000000000004	0.400000000000000022	0.0599999999999999978	-2.91999999999999993	0.562000000000000055	0.00121999999999999995	Soluble	-3.72999999999999998	0.0853000000000000008	0.000184999999999999997	Soluble	-2.47999999999999998	1.55000000000000004	0.00335000000000000011	Soluble	Low	No	No	No	No	No	No	No	-8.99000000000000021	2	0	1	1	3	0.170000000000000012
302	254.330000000000013	C16H18N2O	\N	\N	1	OCC1=C[C@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1	19	9	0.380000000000000004	1	2	2	80.3400000000000034	39.259999999999998	2.27000000000000002	1.30000000000000004	1.65999999999999992	1.90999999999999992	2.60000000000000009	1.94999999999999996	-2.52000000000000002	0.767000000000000015	0.00302000000000000011	Soluble	-1.71999999999999997	4.79000000000000004	0.0189000000000000001	Very soluble	-3.79000000000000004	0.0412000000000000005	0.000162000000000000007	Soluble	High	Yes	Yes	Yes	No	No	Yes	No	-6.92999999999999972	0	0	0	0	0	0.550000000000000044
303	168.22999999999999	C10H16O2	\N	\N	1	O=C[C@H]([C@H]1CC[C@@H]([C@H]1C=O)C)C	12	0	0.800000000000000044	3	2	0	48.4699999999999989	34.1400000000000006	1.45999999999999996	1.6100000000000001	1.67999999999999994	1.27000000000000002	2.12000000000000011	1.62999999999999989	-1.69999999999999996	3.35999999999999988	0.0200000000000000004	Very soluble	-1.93999999999999995	1.93999999999999995	0.0114999999999999998	Very soluble	-1.29000000000000004	8.63000000000000078	0.0512999999999999984	Soluble	High	Yes	No	No	No	No	No	No	-6.17999999999999972	0	0	0	0	1	0.550000000000000044
304	182.219999999999999	C10H14O3	\N	\N	1	O/C=C(/[C@H]1CC[C@@H]([C@H]1C=O)C)\\C=O	13	0	0.599999999999999978	3	3	1	49.5700000000000003	54.3699999999999974	1.54000000000000004	1.34000000000000008	1.48999999999999999	0.28999999999999998	1.37000000000000011	1.20999999999999996	-1.62000000000000011	4.41000000000000014	0.0241999999999999993	Very soluble	-2.08000000000000007	1.5	0.00825000000000000039	Soluble	-0.380000000000000004	76.7000000000000028	0.420999999999999985	Soluble	High	Yes	No	No	No	No	No	No	-6.45999999999999996	0	0	0	0	1	0.560000000000000053
305	374.379999999999995	C17H26O9	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@H](C)CC3)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	26	0	0.819999999999999951	5	9	4	86.2000000000000028	134.909999999999997	2.24000000000000021	-0.0400000000000000008	-1.12000000000000011	-0.989999999999999991	-1.30000000000000004	-0.239999999999999991	-1.81000000000000005	5.84999999999999964	0.0155999999999999993	Very soluble	-2.33999999999999986	1.69999999999999996	0.00453999999999999976	Soluble	1.10000000000000009	4760	12.6999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-8.60999999999999943	0	1	0	1	0	0.560000000000000053
307	136.22999999999999	C10H16	\N	\N	1	C=C1[C@@H]2CC[C@H](C1(C)C)C2	10	0	0.800000000000000044	0	0	0	45.2199999999999989	0	2.58000000000000007	4.21999999999999975	3	4.29000000000000004	3.08000000000000007	3.43000000000000016	-3.33999999999999986	0.0618000000000000008	0.000453999999999999976	Soluble	-3.93000000000000016	0.0160000000000000003	0.000116999999999999998	Soluble	-2.47999999999999998	0.455000000000000016	0.00334000000000000009	Soluble	Low	Yes	No	No	No	Yes	No	No	-4.12999999999999989	1	1	0	0	2	0.550000000000000044
309	136.22999999999999	C10H16	\N	\N	1	CC1=CC[C@H](CC1)C(=C)C	10	0	0.599999999999999978	1	0	0	47.1199999999999974	0	2.64000000000000012	4.57000000000000028	3.31000000000000005	3.27000000000000002	2.9700000000000002	3.35000000000000009	-3.5	0.0432999999999999982	0.000317999999999999978	Soluble	-4.29000000000000004	0.0069300000000000004	5.08999999999999972e-05	Moderately soluble	-2.25999999999999979	0.754000000000000004	0.00553000000000000019	Soluble	Low	Yes	No	No	No	Yes	No	No	-3.89000000000000012	0	1	0	0	2	0.550000000000000044
311	428.730000000000018	C30H52O	\N	\N	1	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCCC1(C)C)C)C	31	0	1	0	1	1	135.360000000000014	20.2300000000000004	4.66999999999999993	10.0800000000000001	8.25	7.07000000000000028	6.92999999999999972	7.40000000000000036	-8.84999999999999964	6.08000000000000044e-07	1.42000000000000006e-09	Poorly soluble	-10.4399999999999995	1.57000000000000016e-08	3.66000000000000016e-11	Insoluble	-7.17999999999999972	2.83000000000000001e-05	6.59000000000000011e-08	Poorly soluble	Low	No	No	No	No	No	No	No	-1.76000000000000001	1	3	0	1	2	0.550000000000000044
312	272.470000000000027	C20H32	\N	\N	1	C=C[C@]1(C)CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCCC1(C)C	20	0	0.800000000000000044	1	0	0	90.1800000000000068	0	3.87999999999999989	7.03000000000000025	6.13999999999999968	5.82000000000000028	5.51999999999999957	5.67999999999999972	-5.88999999999999968	0.000349000000000000026	1.28000000000000003e-06	Moderately soluble	-6.84999999999999964	3.88000000000000012e-05	1.42000000000000001e-07	Poorly soluble	-5.01999999999999957	0.00262999999999999996	9.63999999999999918e-06	Moderately soluble	Low	No	No	No	Yes	Yes	No	No	-2.9700000000000002	1	1	0	1	2	0.550000000000000044
314	338.480000000000018	C20H34O4	\N	\N	1	OC[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CC[C@H]([C@@]1(C)CO)O	24	0	1	2	4	4	93.7000000000000028	80.9200000000000017	2.43000000000000016	2.5	2.08999999999999986	2.33999999999999986	2.5	2.37000000000000011	-3.37999999999999989	0.140999999999999986	0.000415000000000000004	Soluble	-3.83999999999999986	0.0483999999999999986	0.000143000000000000006	Soluble	-2.60000000000000009	0.847999999999999976	0.00251000000000000008	Soluble	High	No	Yes	No	No	No	No	No	-6.58999999999999986	0	0	0	0	0	0.550000000000000044
315	450.439999999999998	C20H36O7P2	\N	\N	1	C/C(=C\\COP(=O)(OP(=O)(O)O)O)/CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCCC2(C)C	29	0	0.800000000000000044	8	7	3	115.540000000000006	132.909999999999997	2.31999999999999984	3.87999999999999989	5.74000000000000021	2.70999999999999996	3.08000000000000007	3.54999999999999982	-4.54999999999999982	0.0126999999999999995	2.82000000000000011e-05	Moderately soluble	-6.37000000000000011	0.000193000000000000002	4.28000000000000021e-07	Poorly soluble	-3.08000000000000007	0.376000000000000001	0.000833999999999999997	Soluble	Low	No	Yes	No	No	No	No	No	-6.29000000000000004	0	1	0	1	0	0.560000000000000053
316	272.470000000000027	C20H32	\N	\N	1	C=C1C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)C(C)(C)CCC1)C	20	0	0.900000000000000022	0	0	0	88.5400000000000063	0	3.7200000000000002	6.91000000000000014	5.98000000000000043	6.83999999999999986	5.44000000000000039	5.78000000000000025	-5.87999999999999989	0.000357000000000000004	1.30999999999999995e-06	Moderately soluble	-6.71999999999999975	5.17000000000000031e-05	1.90000000000000007e-07	Poorly soluble	-5.13999999999999968	0.00197999999999999999	7.27999999999999976e-06	Moderately soluble	Low	No	No	Yes	Yes	Yes	No	No	-3.06000000000000005	1	1	0	1	2	0.550000000000000044
317	645.740000000000009	C34H47NO11	\N	\N	1	COC[C@@]12CN(CC)[C@H]3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC	46	6	0.760000000000000009	11	12	3	165.5	153.449999999999989	4.11000000000000032	0.280000000000000027	0.270000000000000018	0.23000000000000001	1.06000000000000005	1.18999999999999995	-3.39000000000000012	0.263000000000000012	0.000407000000000000027	Soluble	-3.06000000000000005	0.557000000000000051	0.000863000000000000052	Soluble	-3.52000000000000002	0.197000000000000008	0.000304999999999999987	Soluble	Low	No	Yes	No	No	No	No	No	-10.0399999999999991	2	3	2	1	3	0.170000000000000012
318	343.5	C22H33NO2	\N	\N	1	C=C1[C@@H]2CC[C@H]3[C@]([C@H]1O)(C2)CC[C@@H]1[C@]23CCC[C@@]1(C)CN1[C@@H]2OCC1	25	0	0.910000000000000031	0	3	1	102.989999999999995	32.7000000000000028	3.5299999999999998	3.58999999999999986	3.20000000000000018	3.89999999999999991	3.18999999999999995	3.47999999999999998	-4.23000000000000043	0.0201999999999999992	5.8699999999999997e-05	Moderately soluble	-3.95999999999999996	0.0374000000000000027	0.000109000000000000007	Soluble	-3.4700000000000002	0.116000000000000006	0.000337000000000000006	Soluble	High	Yes	Yes	No	No	No	No	No	-5.84999999999999964	0	0	0	0	0	0.550000000000000044
319	316.430000000000007	C20H28O3	\N	\N	1	O=C[C@H]1[C@@H]2[C@@]([C@H]3[C@]41CC(=C)[C@@H](C4)CC3)(C)CCC[C@@]2(C)C(=O)O	23	0	0.800000000000000044	2	3	1	90.519999999999996	54.3699999999999974	2.25999999999999979	3.81000000000000005	4.08000000000000007	3.66000000000000014	3.87999999999999989	3.54000000000000004	-4.07000000000000028	0.0269000000000000003	8.5099999999999995e-05	Moderately soluble	-4.65000000000000036	0.00713999999999999965	2.26000000000000005e-05	Moderately soluble	-3.54000000000000004	0.0902000000000000024	0.000284999999999999989	Soluble	High	Yes	Yes	No	No	Yes	No	No	-5.53000000000000025	0	0	0	0	0	0.560000000000000053
321	364.430000000000007	C20H28O6	\N	\N	1	OC[C@]12CCC[C@@]([C@H]2[C@@H]([C@@]23[C@H]1CC[C@](C3)(C(=C)C2)O)C(=O)O)(C)C(=O)O	26	0	0.800000000000000044	3	6	4	94.4500000000000028	115.060000000000002	1.34000000000000008	0.82999999999999996	2.04999999999999982	1.97999999999999998	2.00999999999999979	1.6399999999999999	-2.41999999999999993	1.37000000000000011	0.00375999999999999989	Soluble	-2.83000000000000007	0.541000000000000036	0.00147999999999999998	Soluble	-2.0299999999999998	3.41999999999999993	0.00940000000000000037	Soluble	High	No	Yes	No	No	No	No	No	-7.92999999999999972	0	0	0	0	0	0.560000000000000053
322	348.389999999999986	C19H24O6	\N	\N	1	O[C@H]1C[C@@]23OC(=O)[C@](C1)([C@H]3[C@@H]([C@@]13[C@H]2CC[C@](C3)(C(=C)C1)O)C(=O)O)C	25	0	0.790000000000000036	1	6	3	87.3400000000000034	104.060000000000002	1.69999999999999996	0.23000000000000001	1.25	1.75	1.71999999999999997	1.33000000000000007	-2.08000000000000007	2.91000000000000014	0.00834000000000000019	Soluble	-1.97999999999999998	3.68999999999999995	0.0106	Very soluble	-1.92999999999999994	4.08999999999999986	0.0117000000000000003	Soluble	High	No	Yes	No	No	No	No	No	-8.25999999999999979	0	0	0	0	0	0.560000000000000053
323	568.870000000000005	C40H56O2	\N	\N	1	O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)C[C@H](CC1(C)C)O)\\C)\\C)/C)/C)C	42	0	0.450000000000000011	10	2	2	186.759999999999991	40.4600000000000009	7.26999999999999957	10.9100000000000001	10.5500000000000007	6.95999999999999996	10.9000000000000004	9.32000000000000028	-9.58000000000000007	1.49999999999999993e-07	2.63000000000000022e-10	Poorly soluble	-11.7200000000000006	1.07999999999999999e-09	1.89999999999999998e-12	Insoluble	-5.94000000000000039	0.000652000000000000019	1.15e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	-2.02000000000000002	2	4	0	1	1	0.170000000000000012
324	136.22999999999999	C10H16	\N	\N	1	CC1=CC[C@@H](CC1)C(=C)C	10	0	0.599999999999999978	1	0	0	47.1199999999999974	0	2.7200000000000002	4.57000000000000028	3.31000000000000005	3.27000000000000002	2.9700000000000002	3.37000000000000011	-3.5	0.0432999999999999982	0.000317999999999999978	Soluble	-4.29000000000000004	0.0069300000000000004	5.08999999999999972e-05	Moderately soluble	-2.25999999999999979	0.754000000000000004	0.00553000000000000019	Soluble	Low	Yes	No	No	No	Yes	No	No	-3.89000000000000012	0	1	0	0	2	0.550000000000000044
325	382.329999999999984	C15H28O7P2	\N	\N	1	C=C[C@](OP(=O)(OP(=O)(O)O)O)(CC/C=C(/CCC=C(C)C)\\C)C	24	0	0.599999999999999978	11	7	3	95.8199999999999932	132.909999999999997	1.96999999999999997	2.39000000000000012	4.62999999999999989	1.83000000000000007	2.18999999999999995	2.60000000000000009	-2.99000000000000021	0.391000000000000014	0.00102000000000000007	Soluble	-4.82000000000000028	0.0057499999999999999	1.50999999999999994e-05	Moderately soluble	-1.44999999999999996	13.5	0.0354000000000000009	Soluble	Low	No	No	No	No	Yes	No	No	-6.94000000000000039	0	0	1	1	0	0.560000000000000053
326	271.310000000000002	C16H17NO3	\N	\N	1	Oc1ccc(cc1)C[C@@H]1NCCc2c1cc(O)c(c2)O	20	12	0.25	2	4	4	81.1500000000000057	72.7199999999999989	2	2.25	1.53000000000000003	1.60000000000000009	2.41999999999999993	1.95999999999999996	-3.25	0.151999999999999996	0.000559999999999999951	Soluble	-3.41000000000000014	0.104999999999999996	0.000386000000000000004	Soluble	-4.25	0.0154000000000000005	5.67999999999999983e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-6.36000000000000032	0	0	0	0	0	0.550000000000000044
328	332.329999999999984	C20H14NO4	\N	\N	1	C[n+]1cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2	25	18	0.149999999999999994	0	4	0	94.6800000000000068	40.7999999999999972	-0.0400000000000000008	4.45000000000000018	3.43000000000000016	2.7200000000000002	3.85000000000000009	2.87999999999999989	-5.24000000000000021	0.00193000000000000007	5.80000000000000037e-06	Moderately soluble	-5.03000000000000025	0.00312999999999999997	9.41999999999999959e-06	Moderately soluble	-6.08999999999999986	0.000266999999999999985	8.04000000000000053e-07	Poorly soluble	High	Yes	Yes	Yes	Yes	No	No	No	-5.16999999999999993	0	0	0	0	0	0.550000000000000044
329	338.379999999999995	C20H20NO4	\N	\N	1	C[N@+]12CCc3c([C@@H]2Cc2c(C1)c1OCOc1cc2)cc1c(c3)OCO1	25	12	0.400000000000000022	0	4	0	96.0100000000000051	36.9200000000000017	0.0500000000000000028	3	2.08999999999999986	-0.890000000000000013	3.33999999999999986	1.52000000000000002	-4.17999999999999972	0.022200000000000001	6.55999999999999953e-05	Moderately soluble	-3.43999999999999995	0.122999999999999998	0.000362999999999999987	Soluble	-5.98000000000000043	0.000353999999999999985	1.04e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-6.23000000000000043	0	0	0	0	0	0.550000000000000044
330	392.379999999999995	C22H18NO6	\N	\N	1	COc1cc2c3c(OC)cc4c(c3c[n+](c2c2c1cc1OCOc1c2)C)OCO4	29	18	0.23000000000000001	2	6	0	107.659999999999997	59.259999999999998	0.520000000000000018	4.38999999999999968	3.45000000000000018	2.08000000000000007	3.91999999999999993	2.87000000000000011	-5.37000000000000011	0.0016900000000000001	4.31000000000000024e-06	Moderately soluble	-5.34999999999999964	0.00175000000000000004	4.44999999999999975e-06	Moderately soluble	-6.30999999999999961	0.000193999999999999999	4.92999999999999981e-07	Poorly soluble	High	Yes	Yes	No	Yes	Yes	No	Yes	-5.58000000000000007	0	0	0	0	0	0.550000000000000044
331	297.350000000000023	C18H19NO3	\N	\N	1	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=CC1=O)C	22	6	0.5	1	4	0	85.7800000000000011	38.7700000000000031	2.37999999999999989	2.20000000000000018	1.33000000000000007	1.8899999999999999	2.45000000000000018	2.04999999999999982	-3.20999999999999996	0.184999999999999998	0.000622999999999999964	Soluble	-2.64999999999999991	0.668000000000000038	0.00224999999999999983	Soluble	-3.45999999999999996	0.102999999999999994	0.000348000000000000002	Soluble	High	Yes	No	No	No	No	Yes	No	-6.54999999999999982	0	0	0	0	0	0.550000000000000044
332	297.350000000000023	C18H19NO3	\N	\N	1	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)C4=CCC1=O)C	22	6	0.5	1	4	0	85.7800000000000011	38.7700000000000031	2.52000000000000002	1.65999999999999992	1.46999999999999997	1.8899999999999999	2.83999999999999986	2.08000000000000007	-2.87000000000000011	0.406000000000000028	0.0013600000000000001	Soluble	-2.08999999999999986	2.43000000000000016	0.00817000000000000018	Soluble	-3.91000000000000014	0.0367000000000000035	0.000123000000000000008	Soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.94000000000000039	0	0	0	0	0	0.550000000000000044
333	311.370000000000005	C19H21NO3	\N	\N	1	COC1=CC=C2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC	23	6	0.469999999999999973	2	4	0	91	30.9299999999999997	3.27000000000000002	2.20000000000000018	2.04000000000000004	2.12999999999999989	2.75999999999999979	2.47999999999999998	-3.2200000000000002	0.189000000000000001	0.000605999999999999985	Soluble	-2.47999999999999998	1.02000000000000002	0.00327999999999999993	Soluble	-3.89000000000000012	0.039899999999999998	0.000127999999999999994	Soluble	High	Yes	No	Yes	No	No	Yes	Yes	-6.63999999999999968	0	0	0	0	0	0.550000000000000044
335	297.350000000000023	C18H19NO3	\N	\N	1	COC1=CC=C2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O	22	6	0.440000000000000002	1	4	1	86.5300000000000011	41.9299999999999997	2.89000000000000012	1.87000000000000011	1.73999999999999999	1.8899999999999999	2.24000000000000021	2.12999999999999989	-3	0.298999999999999988	0.00101000000000000005	Soluble	-2.37000000000000011	1.26000000000000001	0.00423999999999999985	Soluble	-3.20000000000000018	0.189000000000000001	0.000636999999999999979	Soluble	High	Yes	Yes	Yes	No	No	Yes	No	-6.79000000000000004	0	0	0	0	0	0.550000000000000044
336	335.389999999999986	C18H25NO5	\N	\N	1	C/C=C/1\\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	24	0	0.67000000000000004	0	6	1	91.9300000000000068	76.0699999999999932	2.95000000000000018	1.08000000000000007	0.810000000000000053	1.42999999999999994	1.45999999999999996	1.55000000000000004	-2.60000000000000009	0.842999999999999972	0.00251000000000000008	Soluble	-2.27000000000000002	1.80000000000000004	0.00538000000000000023	Soluble	-2	3.39000000000000012	0.0100999999999999996	Soluble	High	No	No	No	No	No	No	No	-7.58000000000000007	0	0	0	0	0	0.550000000000000044
337	155.189999999999998	C8H13NO2	\N	\N	1	OCC1=CCN2[C@H]1[C@H](O)CC2	11	0	0.75	1	3	2	45	43.7000000000000028	1.44999999999999996	-1.29000000000000004	-1.03000000000000003	-0.119999999999999996	-0.0599999999999999978	-0.209999999999999992	0.0800000000000000017	185	1.18999999999999995	Highly soluble	0.869999999999999996	1150	7.41000000000000014	Highly soluble	0.320000000000000007	321	2.06999999999999984	Soluble	High	No	No	No	No	No	No	No	-8.16000000000000014	0	2	0	0	1	0.550000000000000044
338	141.210000000000008	C8H15NO	\N	\N	1	CC(=O)C[C@H]1CCCN1C	10	0	0.880000000000000004	2	2	0	45.4699999999999989	20.3099999999999987	2.10999999999999988	0.469999999999999973	0.680000000000000049	0.760000000000000009	1.29000000000000004	1.06000000000000005	-0.880000000000000004	18.6000000000000014	0.132000000000000006	Very soluble	-0.469999999999999973	48.3999999999999986	0.342000000000000026	Very soluble	-1.19999999999999996	8.97000000000000064	0.0635000000000000009	Soluble	High	No	No	No	No	No	No	No	-6.83000000000000007	0	1	0	0	1	0.550000000000000044
339	162.22999999999999	C10H14N2	\N	\N	1	C1CC[C@H](NC1)c1cccnc1	12	6	0.5	1	2	1	53.0300000000000011	24.9200000000000017	2.00999999999999979	0.969999999999999973	1.18999999999999995	1.16999999999999993	2.25999999999999979	1.52000000000000002	-1.76000000000000001	2.81000000000000005	0.0172999999999999994	Very soluble	-1.08000000000000007	13.5	0.0830000000000000043	Very soluble	-3.2200000000000002	0.0971000000000000058	0.000598000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-6.59999999999999964	0	0	0	0	1	0.550000000000000044
340	83.1299999999999955	C5H9N	\N	\N	1	C1CCC=NC1	6	0	0.800000000000000044	0	1	0	31.0500000000000007	12.3599999999999994	1.55000000000000004	0.0599999999999999978	0.859999999999999987	0.619999999999999996	2.41999999999999993	1.10000000000000009	-0.390000000000000013	33.6000000000000014	0.404000000000000026	Very soluble	0.130000000000000004	111	1.34000000000000008	Highly soluble	-0.969999999999999973	8.92999999999999972	0.106999999999999998	Soluble	Low	No	No	No	No	No	No	No	-6.75999999999999979	0	3	0	0	2	0.550000000000000044
342	224.340000000000003	C13H24N2O	\N	\N	1	O=C(C[C@@H]1CCCCN1)C[C@@H]1CCCCN1	16	0	0.92000000000000004	4	3	2	74.0100000000000051	41.1300000000000026	2.70999999999999996	0.780000000000000027	0.859999999999999987	1.34000000000000008	2.43999999999999995	1.62999999999999989	-1.45999999999999996	7.80999999999999961	0.0347999999999999976	Very soluble	-1.21999999999999997	13.4000000000000004	0.0597000000000000031	Very soluble	-3.06000000000000005	0.194000000000000006	0.000863000000000000052	Soluble	High	Yes	Yes	No	No	No	No	No	-7.11000000000000032	0	0	0	0	0	0.550000000000000044
343	155.240000000000009	C9H17NO	\N	\N	1	CC(=O)C[C@@H]1CCCCN1C	11	0	0.890000000000000013	2	2	0	50.2700000000000031	20.3099999999999987	1.96999999999999997	0.82999999999999996	1.07000000000000006	1.07000000000000006	1.58000000000000007	1.30000000000000004	-1.18999999999999995	9.94999999999999929	0.0641000000000000042	Very soluble	-0.839999999999999969	22.5	0.14499999999999999	Very soluble	-1.48999999999999999	5.05999999999999961	0.032599999999999997	Soluble	High	Yes	No	No	No	No	No	No	-6.66000000000000014	0	1	0	0	1	0.550000000000000044
344	198.259999999999991	C10H18N2O2	\N	\N	1	N[C@H]1CC[C@H]2N(C1)CC[C@@H]2OC(=O)C	14	0	0.900000000000000022	2	4	1	56.759999999999998	55.5600000000000023	1.64999999999999991	0.0299999999999999989	-0.270000000000000018	0.46000000000000002	-0.0400000000000000008	0.369999999999999996	-0.959999999999999964	21.8999999999999986	0.111000000000000001	Very soluble	-0.75	35.2999999999999972	0.177999999999999992	Very soluble	-0.469999999999999973	68	0.343000000000000027	Soluble	High	No	No	No	No	No	No	No	-7.49000000000000021	0	0	0	0	1	0.550000000000000044
345	165.22999999999999	C10H15NO	\N	\N	1	CN(CCc1ccc(cc1)O)C	12	6	0.400000000000000022	3	2	1	50.75	23.4699999999999989	2.10999999999999988	2.08000000000000007	1.5	1.83000000000000007	1.59000000000000008	1.82000000000000006	-2.35000000000000009	0.742999999999999994	0.00449999999999999966	Soluble	-2.20000000000000018	1.04000000000000004	0.0062700000000000004	Soluble	-2.72999999999999998	0.304999999999999993	0.00185000000000000008	Soluble	High	Yes	No	Yes	No	No	No	No	-5.83000000000000007	0	0	0	0	1	0.550000000000000044
346	174.240000000000009	C11H14N2	\N	\N	1	CNCCc1c[nH]c2c1cccc2	13	9	0.270000000000000018	3	1	2	55.6799999999999997	27.8200000000000003	1.84000000000000008	1.20999999999999996	1.92999999999999994	1.55000000000000004	2.85999999999999988	1.87999999999999989	-2	1.75	0.0100999999999999996	Very soluble	-1.3899999999999999	7.08000000000000007	0.0405999999999999972	Very soluble	-4.53000000000000025	0.00517000000000000012	2.96000000000000012e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-6.5	0	0	0	0	1	0.550000000000000044
348	136.22999999999999	C10H16	\N	\N	1	C=C1[C@H]2CC[C@@H](C1(C)C)C2	10	0	0.800000000000000044	0	0	0	45.2199999999999989	0	2.56999999999999984	4.21999999999999975	3	4.29000000000000004	3.08000000000000007	3.43000000000000016	-3.33999999999999986	0.0618000000000000008	0.000453999999999999976	Soluble	-3.93000000000000016	0.0160000000000000003	0.000116999999999999998	Soluble	-2.47999999999999998	0.455000000000000016	0.00334000000000000009	Soluble	Low	Yes	No	No	No	Yes	No	No	-4.12999999999999989	1	1	0	0	2	0.550000000000000044
349	136.22999999999999	C10H16	\N	\N	1	C=C1[C@@H]2CC[C@H](C1(C)C)C2	10	0	0.800000000000000044	0	0	0	45.2199999999999989	0	2.58000000000000007	4.21999999999999975	3	4.29000000000000004	3.08000000000000007	3.43000000000000016	-3.33999999999999986	0.0618000000000000008	0.000453999999999999976	Soluble	-3.93000000000000016	0.0160000000000000003	0.000116999999999999998	Soluble	-2.47999999999999998	0.455000000000000016	0.00334000000000000009	Soluble	Low	Yes	No	No	No	Yes	No	No	-4.12999999999999989	1	1	0	0	2	0.550000000000000044
350	136.22999999999999	C10H16	\N	\N	1	CC1=CC[C@@H]2C[C@H]1C2(C)C	10	0	0.800000000000000044	0	0	0	45.2199999999999989	0	2.62999999999999989	4.48000000000000043	3	4.29000000000000004	2.79000000000000004	3.43999999999999995	-3.50999999999999979	0.0424000000000000002	0.000311000000000000024	Soluble	-4.20000000000000018	0.00859000000000000041	6.31000000000000023e-05	Moderately soluble	-2.22999999999999998	0.80600000000000005	0.00591999999999999992	Soluble	Low	Yes	No	No	No	Yes	No	No	-3.95000000000000018	1	1	0	0	2	0.550000000000000044
351	136.22999999999999	C10H16	\N	\N	1	C=C1CC[C@H]2C[C@@H]1C2(C)C	10	0	0.800000000000000044	0	0	0	45.2199999999999989	0	2.58999999999999986	4.16000000000000014	3	4.29000000000000004	3.08000000000000007	3.41999999999999993	-3.31000000000000005	0.0674000000000000016	0.000494999999999999997	Soluble	-3.87000000000000011	0.0184999999999999991	0.000135999999999999999	Soluble	-2.47999999999999998	0.455000000000000016	0.00334000000000000009	Soluble	Low	Yes	No	No	No	Yes	No	No	-4.17999999999999972	1	1	0	0	2	0.550000000000000044
352	136.22999999999999	C10H16	\N	\N	1	CC1=CC[C@H]2C[C@@H]1C2(C)C	10	0	0.800000000000000044	0	0	0	45.2199999999999989	0	2.62999999999999989	4.48000000000000043	3	4.29000000000000004	2.79000000000000004	3.43999999999999995	-3.50999999999999979	0.0424000000000000002	0.000311000000000000024	Soluble	-4.20000000000000018	0.00859000000000000041	6.31000000000000023e-05	Moderately soluble	-2.22999999999999998	0.80600000000000005	0.00591999999999999992	Soluble	Low	Yes	No	No	No	Yes	No	No	-3.95000000000000018	1	1	0	0	2	0.550000000000000044
353	362.360000000000014	C21H16NO5	\N	\N	1	COc1cc2OCOc2c2c1c1ccc3c(c1[n+](c2)C)cc1c(c3)OCO1	27	18	0.190000000000000002	1	5	0	101.170000000000002	50.0300000000000011	0.369999999999999996	4.41999999999999993	3.43999999999999995	2.39000000000000012	3.87999999999999989	2.89999999999999991	-5.29999999999999982	0.00182	5.03000000000000012e-06	Moderately soluble	-5.19000000000000039	0.00235000000000000009	6.47999999999999979e-06	Moderately soluble	-6.20000000000000018	0.000226999999999999988	6.2699999999999999e-07	Poorly soluble	High	Yes	Yes	Yes	Yes	Yes	No	Yes	-5.37000000000000011	0	0	0	0	0	0.550000000000000044
355	144.210000000000008	C8H16O2	\N	\N	1	CCCCCCCC(=O)O	10	0	0.880000000000000004	6	2	1	42.3400000000000034	37.2999999999999972	1.94999999999999996	3.04999999999999982	2.43000000000000016	1.95999999999999996	1.77000000000000002	2.22999999999999998	-2.25999999999999979	0.793000000000000038	0.00549999999999999968	Soluble	-3.5	0.0456999999999999976	0.000317000000000000007	Soluble	-2.04999999999999982	1.30000000000000004	0.00898999999999999973	Soluble	High	Yes	No	No	No	No	No	No	-5.00999999999999979	0	1	0	0	1	0.560000000000000053
