2072	384.379999999999995	C21H20O7	\N	\N	1	COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2	28	12	0.380000000000000004	3	7	1	98.2199999999999989	83.4500000000000028	2.97999999999999998	2.79000000000000004	2.62000000000000011	2	3.25999999999999979	2.72999999999999998	-4.09999999999999964	0.0304999999999999993	7.94000000000000055e-05	Moderately soluble	-4.20000000000000018	0.0242999999999999987	6.32999999999999936e-05	Moderately soluble	-4.87999999999999989	0.00506000000000000026	1.32000000000000007e-05	Moderately soluble	High	No	No	No	No	Yes	Yes	Yes	-6.66000000000000014	0	0	0	0	0	0.550000000000000044
2073	400.379999999999995	C21H20O8	\N	\N	1	COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O	29	12	0.380000000000000004	3	8	2	99.3799999999999955	103.680000000000007	2.54000000000000004	1.67999999999999994	1.78000000000000003	1.20999999999999996	2.35999999999999988	1.90999999999999992	-3.49000000000000021	0.130000000000000004	0.000324000000000000015	Soluble	-3.4700000000000002	0.135000000000000009	0.000337000000000000006	Soluble	-4.05999999999999961	0.0347000000000000017	8.67000000000000068e-05	Moderately soluble	High	No	No	No	No	No	Yes	No	-7.54999999999999982	0	0	0	0	0	0.550000000000000044
2074	356.410000000000025	C21H24O5	\N	\N	1	C=CCC1=C[C@]2(OC)C(=CC1=O)O[C@@H]([C@H]2C)c1ccc(c(c1)OC)OC	26	6	0.380000000000000004	6	5	0	98.8299999999999983	53.990000000000002	3.7200000000000002	3.16000000000000014	3.43999999999999995	1.59000000000000008	4	3.18000000000000016	-3.81999999999999984	0.0544999999999999998	0.000153000000000000006	Soluble	-3.95999999999999996	0.0386999999999999983	0.000109000000000000007	Soluble	-4.84999999999999964	0.0050099999999999997	1.41000000000000005e-05	Moderately soluble	High	Yes	No	Yes	No	Yes	No	Yes	-6.23000000000000043	0	0	0	0	0	0.560000000000000053
2076	398.410000000000025	C22H22O7	\N	\N	1	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2	29	12	0.409999999999999976	4	7	0	102.689999999999998	72.4500000000000028	3.37000000000000011	3.12000000000000011	2.91999999999999993	2.20999999999999996	3.79000000000000004	3.08000000000000007	-4.32000000000000028	0.0191999999999999983	4.80999999999999969e-05	Moderately soluble	-4.30999999999999961	0.0195	4.89000000000000028e-05	Moderately soluble	-5.57000000000000028	0.00106999999999999999	2.68000000000000018e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	Yes	Yes	-6.51999999999999957	0	0	0	0	0	0.550000000000000044
2077	400.420000000000016	C22H24O7	\N	\N	1	COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(c1OC)OC	29	12	0.409999999999999976	7	7	0	104.640000000000001	72.4500000000000028	3.18999999999999995	3.75	3.02000000000000002	2.20999999999999996	4.33999999999999986	3.29999999999999982	-4.53000000000000025	0.0117999999999999997	2.96000000000000012e-05	Moderately soluble	-4.95999999999999996	0.0043499999999999997	1.09000000000000007e-05	Moderately soluble	-6.05999999999999961	0.000349999999999999996	8.73000000000000048e-07	Poorly soluble	High	Yes	No	No	Yes	Yes	Yes	Yes	-6.08000000000000007	0	0	0	0	0	0.550000000000000044
2078	358.389999999999986	C20H22O6	\N	\N	1	OC[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)CO)Cc1ccc2c(c1)OCO2	26	12	0.400000000000000022	7	6	2	94.3799999999999955	77.3799999999999955	3.22999999999999998	2.91000000000000014	2.14999999999999991	1.97999999999999998	3.93999999999999995	2.83999999999999986	-3.77000000000000002	0.0601999999999999966	0.000167999999999999991	Soluble	-4.20000000000000018	0.0228000000000000008	6.37000000000000034e-05	Moderately soluble	-4.94000000000000039	0.00410999999999999994	1.15e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.41999999999999993	0	0	0	0	0	0.550000000000000044
2079	380.350000000000023	C21H16O7	\N	\N	1	COc1cc2c(c3ccc4c(c3)OCO4)c3C(=O)OCc3c(c2cc1OC)O	28	16	0.190000000000000002	3	7	1	99.7800000000000011	83.4500000000000028	2.83999999999999986	3.62000000000000011	3.47999999999999998	2.06999999999999984	4.16000000000000014	3.22999999999999998	-4.70000000000000018	0.00753000000000000023	1.98000000000000002e-05	Moderately soluble	-5.05999999999999961	0.00331000000000000001	8.70999999999999962e-06	Moderately soluble	-6.13999999999999968	0.000273999999999999992	7.20999999999999958e-07	Poorly soluble	High	No	Yes	Yes	Yes	Yes	Yes	Yes	-6.04999999999999982	0	0	0	0	0	0.550000000000000044
2080	550.549999999999955	C27H34O12	\N	\N	1	OC[C@H]1O[C@@H](Oc2c(OC)cc(cc2OC)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O	39	12	0.560000000000000053	8	12	5	133.52000000000001	165.759999999999991	2.95999999999999996	0.450000000000000011	0.0200000000000000004	-1.33000000000000007	0.599999999999999978	0.540000000000000036	-3.24000000000000021	0.319000000000000006	0.000580000000000000003	Soluble	-3.5	0.173999999999999988	0.000317000000000000007	Soluble	-2.52000000000000002	1.6399999999999999	0.00299000000000000004	Soluble	Low	No	Yes	No	No	No	No	No	-9.33999999999999986	2	3	1	1	2	0.170000000000000012
2081	386.439999999999998	C22H26O6	\N	\N	1	COc1cc(ccc1OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc(c(c1)OC)OC	28	12	0.450000000000000011	6	6	0	103.840000000000003	55.3800000000000026	3.85000000000000009	2.93999999999999995	3.14999999999999991	1.6100000000000001	3.72999999999999998	3.06000000000000005	-4.00999999999999979	0.0378000000000000003	9.78999999999999944e-05	Moderately soluble	-3.77000000000000002	0.0664000000000000007	0.000172000000000000007	Soluble	-5.58000000000000007	0.00102000000000000007	2.65000000000000004e-06	Moderately soluble	High	Yes	No	No	No	No	Yes	Yes	-6.57000000000000028	0	0	0	0	0	0.550000000000000044
2082	504.699999999999989	C33H44O4	\N	\N	1	C=CCc1cc(Oc2ccc(cc2)CC=C)c(c(c1)O[C@]1(C)CCC[C@]2([C@H]1C[C@@H](CC2)C(O)(C)C)C)O	37	12	0.520000000000000018	9	4	2	153.72999999999999	58.9200000000000017	5.41999999999999993	8.61999999999999922	8.16000000000000014	5.28000000000000025	7.91999999999999993	7.08000000000000007	-8.05000000000000071	4.53999999999999973e-06	8.99999999999999953e-09	Poorly soluble	-9.73000000000000043	9.32000000000000008e-08	1.85000000000000007e-10	Poorly soluble	-8.65000000000000036	1.12000000000000008e-06	2.22000000000000019e-09	Poorly soluble	Low	No	Yes	No	No	No	Yes	No	-3.25999999999999979	2	4	0	1	1	0.170000000000000012
2084	337.370000000000005	C20H19NO4	\N	\N	1	COc1ccc(cc1)c1cnc(o1)/C=C/c1ccc(c(c1)OC)OC	25	17	0.149999999999999994	6	5	0	96.7800000000000011	53.7199999999999989	3.87999999999999989	4.21999999999999975	4.32000000000000028	1.85000000000000009	4.59999999999999964	3.77000000000000002	-4.70000000000000018	0.00676999999999999998	2.01000000000000007e-05	Moderately soluble	-5.05999999999999961	0.00294999999999999993	8.73999999999999933e-06	Moderately soluble	-6.70999999999999996	6.49999999999999943e-05	1.92999999999999994e-07	Poorly soluble	High	Yes	No	Yes	Yes	Yes	No	Yes	-5.36000000000000032	0	0	0	0	0	0.550000000000000044
2085	346.470000000000027	C22H26N4	\N	\N	1	CN1CC[C@]23[C@]4([C@@H]1Nc1c3cccc1)CCN([C@H]2Nc1c4cccc1)C	26	12	0.450000000000000011	0	2	2	118.959999999999994	30.5399999999999991	2.83000000000000007	3.91999999999999993	1.12999999999999989	3.5299999999999998	2.12000000000000011	2.70999999999999996	-4.79999999999999982	0.00549999999999999968	1.59000000000000002e-05	Moderately soluble	-4.25999999999999979	0.0189999999999999995	5.48999999999999995e-05	Moderately soluble	-6.15000000000000036	0.000246000000000000016	7.10999999999999948e-07	Poorly soluble	High	Yes	Yes	No	No	No	Yes	No	-5.62999999999999989	0	0	0	0	0	0.550000000000000044
2086	354.399999999999977	C21H22O5	\N	\N	1	C=CCC1=C[C@@](OC)(C(=CC1=O)OC)/C(=C/c1ccc2c(c1)OCO2)/C	26	6	0.28999999999999998	6	5	0	99.1500000000000057	53.990000000000002	3.81999999999999984	3.85999999999999988	3.70999999999999996	1.90999999999999992	4.45000000000000018	3.54999999999999982	-4.24000000000000021	0.0201999999999999992	5.70000000000000031e-05	Moderately soluble	-4.69000000000000039	0.00723000000000000032	2.04000000000000012e-05	Moderately soluble	-4.74000000000000021	0.00647999999999999965	1.8300000000000001e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	Yes	-5.71999999999999975	0	0	0	0	0	0.560000000000000053
2087	180.27000000000001	C11H18NO	\N	\N	1	Oc1ccc(cc1)CC[N+](C)(C)C	13	6	0.450000000000000011	3	1	1	55.0300000000000011	20.2300000000000004	-1.57000000000000006	2.10000000000000009	1.6399999999999999	-1.56000000000000005	1.62999999999999989	0.450000000000000011	-2.41999999999999993	0.679000000000000048	0.00376999999999999991	Soluble	-2.16000000000000014	1.26000000000000001	0.00700000000000000015	Soluble	-3.85000000000000009	0.0256000000000000012	0.000142000000000000009	Soluble	High	Yes	Yes	No	No	No	No	No	-5.91000000000000014	0	0	0	0	1	0.550000000000000044
2088	831.899999999999977	C45H53NO14	\N	\N	1	C/C=C(/C(=O)N[C@@H]([C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)O)OC(=O)C)O)c1ccccc1)\\C	60	12	0.510000000000000009	15	14	4	213	221.289999999999992	3.93000000000000016	3.18999999999999995	3.06000000000000005	1.25	4.50999999999999979	3.18999999999999995	-6.16999999999999993	0.000568000000000000037	6.82999999999999962e-07	Poorly soluble	-7.50999999999999979	2.58000000000000003e-05	3.09999999999999997e-08	Poorly soluble	-7.19000000000000039	5.41000000000000004e-05	6.49999999999999997e-08	Poorly soluble	Low	No	Yes	No	No	No	No	No	-9.10999999999999943	2	3	2	1	3	0.170000000000000012
2090	193.199999999999989	C10H11NO3	\N	\N	1	COc1c2CNC(=O)c2cc(c1C)O	14	6	0.299999999999999989	1	3	2	54.8800000000000026	58.5600000000000023	1.48999999999999999	0.75	0.419999999999999984	0.560000000000000053	1.79000000000000004	1	-1.76000000000000001	3.35000000000000009	0.0172999999999999994	Very soluble	-1.56000000000000005	5.33000000000000007	0.0275999999999999995	Very soluble	-2.83000000000000007	0.283999999999999975	0.00146999999999999995	Soluble	High	No	No	No	No	No	No	No	-6.95000000000000018	0	0	0	0	1	0.550000000000000044
2092	211.300000000000011	C12H21NO2	\N	\N	1	CCCC(=O)[C@H]1[C@@H](O)CCN2[C@@H]1CCC2	15	0	0.92000000000000004	3	3	1	63.740000000000002	40.5399999999999991	2.18999999999999995	1.39999999999999991	0.819999999999999951	1.07000000000000006	1.37999999999999989	1.37000000000000011	-1.83000000000000007	3.10000000000000009	0.0146999999999999995	Very soluble	-1.8600000000000001	2.95000000000000018	0.0140000000000000003	Very soluble	-1.32000000000000006	10.0999999999999996	0.0478999999999999981	Soluble	High	Yes	No	No	No	No	No	No	-6.58999999999999986	0	0	0	0	0	0.550000000000000044
2093	337.370000000000005	C20H19NO4	\N	\N	1	CN1CCC[C@@H]1c1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O	25	16	0.25	2	5	2	100.859999999999999	73.9099999999999966	2.93000000000000016	3.37999999999999989	2.93000000000000016	1.43999999999999995	3.41000000000000014	2.81999999999999984	-4.40000000000000036	0.0132999999999999993	3.96000000000000003e-05	Moderately soluble	-4.61000000000000032	0.00826999999999999957	2.44999999999999992e-05	Moderately soluble	-5.54999999999999982	0.000952999999999999963	2.82000000000000011e-06	Moderately soluble	High	Yes	Yes	Yes	No	Yes	Yes	Yes	-5.95999999999999996	0	0	0	0	0	0.550000000000000044
2094	238.240000000000009	C14H10N2O2	\N	\N	1	Oc1ccc(cc1)c1cnc(o1)c1cccnc1	18	17	0	2	4	1	67.1899999999999977	59.1499999999999986	2.12999999999999989	2.24000000000000021	3.10999999999999988	1.04000000000000004	2.91999999999999993	2.29000000000000004	-3.29999999999999982	0.120999999999999996	0.000506999999999999964	Soluble	-3.12000000000000011	0.181999999999999995	0.000761999999999999982	Soluble	-5.33000000000000007	0.00111000000000000009	4.66000000000000028e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-6.16000000000000014	0	0	0	0	0	0.550000000000000044
2095	531.590000000000032	C28H37NO9	\N	\N	1	COC(=O)C[C@@](C(=O)O[C@@H]1C(=C[C@]23[C@@H]1c1cc4OCOc4cc1CCN3CCC2)OC)(CCC(O)(C)C)O	38	6	0.640000000000000013	10	10	2	139.860000000000014	123.989999999999995	3.89000000000000012	0.46000000000000002	1.81000000000000005	1.19999999999999996	2.87000000000000011	2.04999999999999982	-2.87999999999999989	0.696999999999999953	0.00130999999999999997	Soluble	-2.62999999999999989	1.23999999999999999	0.00233000000000000004	Soluble	-4.15000000000000036	0.0376999999999999974	7.10000000000000046e-05	Moderately soluble	High	No	No	No	No	No	Yes	Yes	-9.22000000000000064	1	3	0	0	0	0.550000000000000044
2096	337.370000000000005	C20H19NO4	\N	\N	1	Oc1cc2oc(cc(=O)c2c(c1[C@H]1CCCN1C)O)c1ccccc1	25	16	0.25	2	5	2	100.859999999999999	73.9099999999999966	2.74000000000000021	3.87999999999999989	2.93000000000000016	1.43999999999999995	3.41000000000000014	2.87999999999999989	-4.71999999999999975	0.0064599999999999996	1.91999999999999991e-05	Moderately soluble	-5.12999999999999989	0.00250000000000000005	7.42000000000000011e-06	Moderately soluble	-5.54999999999999982	0.000952999999999999963	2.82000000000000011e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.59999999999999964	0	0	0	0	0	0.550000000000000044
2098	383.389999999999986	C21H21NO6	\N	\N	1	COc1c(O)c([C@@H]2CCCN2C)c2c(c1O)c(=O)cc(o2)c1ccc(cc1)O	28	16	0.28999999999999998	3	7	3	109.370000000000005	103.370000000000005	2.99000000000000021	3	2.64999999999999991	0.589999999999999969	2.9700000000000002	2.43999999999999995	-4.33000000000000007	0.0178999999999999992	4.66000000000000011e-05	Moderately soluble	-4.83999999999999986	0.0056100000000000004	1.46000000000000008e-05	Moderately soluble	-5.07000000000000028	0.0032699999999999999	8.52999999999999965e-06	Moderately soluble	High	No	Yes	No	No	Yes	Yes	Yes	-6.50999999999999979	0	0	0	0	0	0.550000000000000044
2099	286.329999999999984	C16H18N2O3	\N	\N	1	O=C1OC[C@@H]([C@@H]1[C@H](c1ccccc1)O)Cc1cncn1C	21	11	0.380000000000000004	4	4	1	77.3100000000000023	64.3499999999999943	1.89999999999999991	0.619999999999999996	1.15999999999999992	1.1399999999999999	1.95999999999999996	1.3600000000000001	-2.12999999999999989	2.12999999999999989	0.00742000000000000038	Soluble	-1.55000000000000004	8.15000000000000036	0.0284000000000000016	Very soluble	-3.45999999999999996	0.0981000000000000066	0.000342999999999999989	Soluble	High	Yes	No	No	No	No	No	No	-7.61000000000000032	0	0	0	0	0	0.550000000000000044
2100	340.370000000000005	C20H20O5	\N	\N	1	C[C@H]1[C@@H](O[C@H]([C@@H]1C)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2	25	12	0.400000000000000022	2	5	0	91.0300000000000011	46.1499999999999986	3.68999999999999995	4.12000000000000011	3.58000000000000007	2.79000000000000004	3.79999999999999982	3.60000000000000009	-4.76999999999999957	0.00579000000000000001	1.69999999999999999e-05	Moderately soluble	-4.79999999999999982	0.00544999999999999998	1.59999999999999993e-05	Moderately soluble	-5.08999999999999986	0.00276999999999999989	8.1499999999999999e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	Yes	No	-5.45000000000000018	0	0	0	0	0	0.550000000000000044
2101	641.75	C35H47NO10	\N	\N	1	CC(=O)O[C@H]1C=C2C[C@@](C)([C@H](C[C@@H]2OC(=O)[C@@H]([C@H](c2ccccc2)N(C)C)O)O)C(=O)[C@@H](C2=C([C@H](C[C@@H]1C2(C)C)OC(=O)C)C)O	46	6	0.599999999999999978	10	11	3	168.629999999999995	159.900000000000006	3.99000000000000021	1.6399999999999999	2.49000000000000021	1.3899999999999999	2.85999999999999988	2.47999999999999998	-4.29000000000000004	0.0330000000000000016	5.14999999999999982e-05	Moderately soluble	-4.61000000000000032	0.0156999999999999987	2.44999999999999992e-05	Moderately soluble	-4.55999999999999961	0.0177000000000000005	2.7500000000000001e-05	Moderately soluble	Low	No	No	No	No	No	No	Yes	-9.05000000000000071	2	3	1	1	3	0.170000000000000012
2102	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	3.97999999999999998	5.12999999999999989	4.49000000000000021	2.75999999999999979	4.87999999999999989	4.25	-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
2103	432.509999999999991	C24H32O7	\N	\N	1	COc1cc(cc(c1OC)OC)[C@H]1O[C@@H]([C@H]([C@@H]1C)C)c1cc(OC)c(c(c1)OC)OC	31	12	0.5	8	7	0	117.849999999999994	64.6099999999999994	4.45999999999999996	4.33000000000000007	4.16999999999999993	1.77000000000000002	4.42999999999999972	3.83000000000000007	-5.00999999999999979	0.00425000000000000031	9.82000000000000085e-06	Moderately soluble	-5.40000000000000036	0.00171999999999999996	3.97000000000000011e-06	Moderately soluble	-6.28000000000000025	0.000230000000000000007	5.30999999999999977e-07	Poorly soluble	High	Yes	No	No	No	No	Yes	No	-5.86000000000000032	0	0	0	0	0	0.550000000000000044
2104	354.350000000000023	C20H18O6	\N	\N	1	O=C1OC[C@@H]([C@H]1Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2	26	12	0.349999999999999978	4	6	0	91.230000000000004	63.2199999999999989	3.08000000000000007	3.64999999999999991	2.7200000000000002	2.70999999999999996	4.04000000000000004	3.24000000000000021	-4.41000000000000014	0.0137000000000000004	3.85000000000000007e-05	Moderately soluble	-4.66999999999999993	0.00764000000000000009	2.15999999999999999e-05	Moderately soluble	-5.45999999999999996	0.00121999999999999995	3.4400000000000001e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.87000000000000011	0	0	0	0	0	0.550000000000000044
2106	311.329999999999984	C18H17NO4	\N	\N	1	COc1cc2nc3occc3c(c2c2c1OC(C)(C)C=C2)OC	23	13	0.280000000000000027	2	5	0	88.6200000000000045	53.7199999999999989	3.43000000000000016	3.79000000000000004	4.07000000000000028	2	3.79000000000000004	3.41999999999999993	-4.44000000000000039	0.0111999999999999999	3.60000000000000009e-05	Moderately soluble	-4.61000000000000032	0.00759999999999999998	2.44000000000000002e-05	Moderately soluble	-5.70000000000000018	0.000627999999999999978	2.02000000000000014e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-5.50999999999999979	0	0	0	0	0	0.550000000000000044
2107	266.329999999999984	C18H18O2	\N	\N	1	C=CCc1ccc(c(c1)c1ccc(c(c1)CC=C)O)O	20	12	0.110000000000000001	5	2	2	84.1400000000000006	40.4600000000000009	2.95999999999999996	4.98000000000000043	4.21999999999999975	3.7799999999999998	4.99000000000000021	4.19000000000000039	-4.74000000000000021	0.00481999999999999963	1.80999999999999995e-05	Moderately soluble	-5.57000000000000028	0.000719000000000000021	2.69999999999999998e-06	Moderately soluble	-5.46999999999999975	0.000907000000000000037	3.40000000000000006e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-4.38999999999999968	0	0	0	0	0	0.550000000000000044
2108	289.279999999999973	C15H15NO5	\N	\N	1	COc1cc(OC)c2c(c1OC)nc1c(c2OC)cco1	21	13	0.270000000000000018	4	6	0	77.480000000000004	62.9500000000000028	2.91999999999999993	2.81000000000000005	3.02000000000000002	1.07000000000000006	2.93999999999999995	2.54999999999999982	-3.60000000000000009	0.0729999999999999954	0.000252	Soluble	-3.79000000000000004	0.0470000000000000001	0.000163000000000000005	Soluble	-5.08999999999999986	0.00232000000000000001	8.03999999999999926e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-6.07000000000000028	0	0	0	0	0	0.550000000000000044
2109	321.370000000000005	C20H19NO3	\N	\N	1	COc1cc2OC(C)(C)C=Cc2c2c1c(=O)c1c(n2C)cccc1	24	14	0.25	1	3	0	97.5900000000000034	40.4600000000000009	3.2200000000000002	3.66999999999999993	3.7799999999999998	2.5	3.9700000000000002	3.43000000000000016	-4.50999999999999979	0.00992999999999999959	3.08999999999999989e-05	Moderately soluble	-4.20999999999999996	0.019900000000000001	6.17999999999999978e-05	Moderately soluble	-5.82000000000000028	0.000489999999999999984	1.52000000000000006e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.65000000000000036	0	0	0	0	0	0.550000000000000044
2110	394.370000000000005	C22H18O7	\N	\N	1	COc1cc2c(c3ccc4c(c3)OCO4)c3C(=O)OCc3c(c2cc1OC)OC	29	16	0.23000000000000001	4	7	0	104.25	72.4500000000000028	3.39999999999999991	3.95000000000000018	3.7799999999999998	2.29000000000000004	4.70000000000000018	3.62000000000000011	-4.91999999999999993	0.00476000000000000034	1.20999999999999993e-05	Moderately soluble	-5.16999999999999993	0.00266000000000000004	6.73999999999999984e-06	Moderately soluble	-6.83000000000000007	5.78999999999999979e-05	1.47000000000000006e-07	Poorly soluble	High	Yes	Yes	No	Yes	Yes	Yes	Yes	-5.90000000000000036	0	0	0	0	0	0.550000000000000044
2111	283.319999999999993	C17H17NO3	\N	\N	1	COc1ccc2c(c1)n(CC=C(C)C)c1c(c2=O)cco1	21	13	0.239999999999999991	3	3	0	84.4899999999999949	44.3699999999999974	3.25999999999999979	3.97999999999999998	3.7200000000000002	2.25	3.58999999999999986	3.35999999999999988	-4.36000000000000032	0.0123000000000000002	4.31999999999999997e-05	Moderately soluble	-4.61000000000000032	0.00691000000000000034	2.44000000000000002e-05	Moderately soluble	-5.07000000000000028	0.00243999999999999989	8.61000000000000057e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	No	-5.20000000000000018	0	0	0	0	0	0.550000000000000044
2113	364.350000000000023	C21H16O6	\N	\N	1	COc1cc2c(cc1OC)cc1c(c2c2ccc3c(c2)OCO3)C(=O)OC1	27	16	0.190000000000000002	3	6	0	97.7600000000000051	63.2199999999999989	3.14999999999999991	3.97999999999999998	3.77000000000000002	2.60000000000000009	4.63999999999999968	3.62999999999999989	-4.84999999999999964	0.00517999999999999971	1.41999999999999996e-05	Moderately soluble	-5.00999999999999979	0.00356999999999999982	9.79999999999999934e-06	Moderately soluble	-6.73000000000000043	6.79999999999999995e-05	1.86999999999999994e-07	Poorly soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-5.70000000000000018	0	0	0	0	0	0.550000000000000044
2114	349.379999999999995	C20H19N3O3	\N	\N	1	CCOC(=O)c1ccccc1N[C@H]1CCn2c1nc1ccccc1c2=O	26	16	0.25	5	4	1	99.8400000000000034	73.2199999999999989	3.00999999999999979	3.52000000000000002	2.60999999999999988	2.85000000000000009	2.75999999999999979	2.95000000000000018	-4.34999999999999964	0.0155999999999999993	4.4799999999999998e-05	Moderately soluble	-4.74000000000000021	0.00634000000000000015	1.80999999999999995e-05	Moderately soluble	-6.01999999999999957	0.000333999999999999987	9.54999999999999962e-07	Poorly soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.92999999999999972	0	0	0	0	0	0.550000000000000044
2115	356.410000000000025	C21H24O5	\N	\N	1	C=CCC1=C[C@@]2(OC)C(=CC1=O)O[C@@H]([C@H]2C)c1ccc(c(c1)OC)OC	26	6	0.380000000000000004	6	5	0	98.8299999999999983	53.990000000000002	3.50999999999999979	3.16000000000000014	3.43999999999999995	1.59000000000000008	4	3.14000000000000012	-3.81999999999999984	0.0544999999999999998	0.000153000000000000006	Soluble	-3.95999999999999996	0.0386999999999999983	0.000109000000000000007	Soluble	-4.84999999999999964	0.0050099999999999997	1.41000000000000005e-05	Moderately soluble	High	Yes	No	Yes	No	Yes	No	Yes	-6.23000000000000043	0	0	0	0	0	0.560000000000000053
2116	349.379999999999995	C20H19N3O3	\N	\N	1	COC(=O)c1cc(ccc1NC)[C@H]1CCn2c1nc1ccccc1c2=O	26	16	0.25	4	4	1	100	73.2199999999999989	3.20999999999999996	3.02000000000000002	2.56999999999999984	2.85000000000000009	2.89000000000000012	2.91000000000000014	-4.09999999999999964	0.0276999999999999989	7.94000000000000055e-05	Moderately soluble	-4.21999999999999975	0.0208999999999999984	5.98999999999999991e-05	Moderately soluble	-6	0.000346999999999999978	9.93000000000000064e-07	Poorly soluble	High	Yes	No	Yes	No	Yes	Yes	Yes	-6.29000000000000004	0	0	0	0	0	0.550000000000000044
2117	372.410000000000025	C21H24O6	\N	\N	1	C=CCC1=C[C@]2(OC)[C@H](C)[C@H](O[C@@]2(CC1=O)OC)c1ccc2c(c1)OCO2	27	6	0.479999999999999982	5	6	0	98.3199999999999932	63.2199999999999989	3.60000000000000009	2.45999999999999996	3	1.65999999999999992	3.81000000000000005	2.91000000000000014	-3.5299999999999998	0.109	0.00029300000000000002	Soluble	-3.43000000000000016	0.138000000000000012	0.000369999999999999995	Soluble	-4.70000000000000018	0.00738000000000000028	1.98000000000000002e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	Yes	-6.83000000000000007	0	0	0	0	0	0.550000000000000044
2118	363.54000000000002	C25H33NO	\N	\N	1	C/C(=C\\Cc1c(C)[nH]c2c(c1=O)cccc2)/CC/C=C(/CCC=C(C)C)\\C	27	10	0.400000000000000022	8	1	1	120.379999999999995	32.8599999999999994	4.79999999999999982	7.58000000000000007	6.79999999999999982	4.54000000000000004	7.98000000000000043	6.33999999999999986	-6.62000000000000011	8.81000000000000001e-05	2.42000000000000023e-07	Poorly soluble	-8.10999999999999943	2.83999999999999991e-06	7.81999999999999988e-09	Poorly soluble	-7.79000000000000004	5.92000000000000007e-06	1.63000000000000004e-08	Poorly soluble	Low	No	No	No	Yes	No	No	Yes	-3.14000000000000012	1	1	0	1	1	0.550000000000000044
2120	285.29000000000002	C16H15NO4	\N	\N	1	COc1cc2c(c(c1OC)O)c(=O)c1c(n2C)cccc1	21	14	0.190000000000000002	2	4	1	81.980000000000004	60.6899999999999977	2.68000000000000016	3.25	2.41000000000000014	1.07000000000000006	2.58999999999999986	2.39999999999999991	-4.01999999999999957	0.0274000000000000007	9.60000000000000024e-05	Moderately soluble	-4.20000000000000018	0.0181000000000000015	6.33999999999999961e-05	Moderately soluble	-4.51999999999999957	0.00860000000000000001	3.00999999999999998e-05	Moderately soluble	High	Yes	No	Yes	No	Yes	Yes	Yes	-5.73000000000000043	0	0	0	0	0	0.550000000000000044
2121	610.610000000000014	C34H30N2O9	\N	\N	1	COc1cc(O)c2c(c1)n(C)c1c(c2=O)ccc(c1O)Oc1cccc2c1n(C)c1c3c(O[C@@H]([C@H]3O)C(C)C)cc(c1c2=O)O	45	28	0.239999999999999991	4	9	4	171.509999999999991	152.610000000000014	4.20000000000000018	6.13999999999999968	4.74000000000000021	1.10000000000000009	4.17999999999999972	4.07000000000000028	-7.69000000000000039	1.25000000000000006e-05	2.04000000000000007e-08	Poorly soluble	-9.13000000000000078	4.54999999999999985e-07	7.46000000000000009e-10	Poorly soluble	-7.71999999999999975	1.16999999999999998e-05	1.91999999999999999e-08	Poorly soluble	Low	No	No	No	No	Yes	No	No	-5.66999999999999993	2	3	1	1	3	0.170000000000000012
2122	379.449999999999989	C23H25NO4	\N	\N	1	CC(=CCc1c(O)c(CC=C(C)C)c(c2c1[nH]c1c(O)cccc1c2=O)O)C	28	14	0.260000000000000009	4	4	4	115.579999999999998	93.5499999999999972	3.81999999999999984	6.30999999999999961	4.82000000000000028	2.52000000000000002	5.55999999999999961	4.61000000000000032	-6.26999999999999957	0.000202000000000000004	5.32000000000000052e-07	Poorly soluble	-8.0600000000000005	3.27999999999999994e-06	8.63999999999999994e-09	Poorly soluble	-6.04000000000000004	0.000349000000000000026	9.1999999999999998e-07	Poorly soluble	High	No	No	No	No	Yes	No	No	-4.12999999999999989	0	0	0	0	1	0.550000000000000044
2123	360.399999999999977	C20H24O6	\N	\N	1	OC[C@H]1[C@H](CO[C@@H]1c1ccc(c(c1)OC)O)Cc1ccc(c(c1)OC)O	26	12	0.400000000000000022	6	6	3	97.0900000000000034	88.3799999999999955	3.12000000000000011	2.39999999999999991	2.33000000000000007	1.16999999999999993	2.85999999999999988	2.37999999999999989	-3.5299999999999998	0.105999999999999997	0.000293999999999999991	Soluble	-3.89999999999999991	0.0456000000000000016	0.000126999999999999997	Soluble	-4.37000000000000011	0.0154999999999999999	4.30999999999999973e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-6.79000000000000004	0	0	0	0	0	0.550000000000000044
2124	289.329999999999984	C16H19NO4	\N	\N	1	COc1cccc2c1n(C)c1c(c2=O)C[C@@H](O1)C(O)(C)C	21	10	0.440000000000000002	2	4	1	80.9300000000000068	60.6899999999999977	2.75	1.8899999999999999	1.62000000000000011	1.1399999999999999	2.41000000000000014	1.95999999999999996	-3.04000000000000004	0.26100000000000001	0.000902000000000000024	Soluble	-2.79000000000000004	0.472999999999999976	0.00162999999999999994	Soluble	-3.60000000000000009	0.0727000000000000007	0.000250999999999999975	Soluble	High	Yes	No	Yes	No	No	Yes	No	-6.71999999999999975	0	0	0	0	0	0.550000000000000044
2126	331.410000000000025	C19H25NO4	\N	\N	1	C/C(=C\\COc1cc(=O)[nH]c2c1cccc2)/CC[C@H](C(O)(C)C)O	24	10	0.419999999999999984	7	4	3	96.2099999999999937	82.5499999999999972	3.02000000000000002	2.08999999999999986	2.77000000000000002	1.90999999999999992	3.91000000000000014	2.74000000000000021	-3.06000000000000005	0.28999999999999998	0.000875000000000000018	Soluble	-3.45000000000000018	0.117000000000000007	0.000351999999999999991	Soluble	-4.73000000000000043	0.00610999999999999998	1.84999999999999991e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-6.83999999999999986	0	0	0	0	0	0.550000000000000044
2127	326.389999999999986	C20H22O4	\N	\N	1	C/C=C/c1cc2c(c(c1)OC)O[C@@H]([C@H]2C)c1ccc(c(c1)OC)O	24	12	0.299999999999999989	4	4	1	94.980000000000004	47.9200000000000017	3.74000000000000021	4.37999999999999989	4.25	2.72999999999999998	4.36000000000000032	3.89000000000000012	-4.73000000000000043	0.00608999999999999993	1.87000000000000005e-05	Moderately soluble	-5.09999999999999964	0.00257999999999999983	7.9000000000000006e-06	Moderately soluble	-5.25999999999999979	0.00177000000000000009	5.42999999999999968e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	Yes	No	-5.17999999999999972	0	0	0	0	0	0.550000000000000044
2128	266.329999999999984	C18H18O2	\N	\N	1	C=CCc1ccc(c(c1)c1cc(CC=C)ccc1O)O	20	12	0.110000000000000001	5	2	2	84.1400000000000006	40.4600000000000009	3.33000000000000007	4.98000000000000043	4.21999999999999975	3.7799999999999998	4.99000000000000021	4.25999999999999979	-4.74000000000000021	0.00481999999999999963	1.80999999999999995e-05	Moderately soluble	-5.57000000000000028	0.000719000000000000021	2.69999999999999998e-06	Moderately soluble	-5.46999999999999975	0.000907000000000000037	3.40000000000000006e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-4.38999999999999968	0	0	0	0	0	0.550000000000000044
2129	331.410000000000025	C19H25NO4	\N	\N	1	O[C@@H]1CC[C@@](OC1(C)C)(C)[C@@H](c1c(=O)[nH]c2c(c1O)cccc2)C	24	10	0.530000000000000027	2	4	3	95.0300000000000011	82.5499999999999972	2.60999999999999988	1.8899999999999999	3.04999999999999982	1.98999999999999999	3.83000000000000007	2.66999999999999993	-3.25999999999999979	0.180999999999999994	0.00054699999999999996	Soluble	-3.25	0.188	0.000568000000000000037	Soluble	-4.90000000000000036	0.00413999999999999958	1.25000000000000006e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-6.98000000000000043	0	0	0	0	0	0.550000000000000044
2130	355.379999999999995	C20H21NO5	\N	\N	1	COc1c(O)ccc2c1n(C)c1cc(O)c(c(c1c2=O)O)CC=C(C)C	26	14	0.25	3	5	3	103.260000000000005	91.9200000000000017	3.12999999999999989	4.5	3.33000000000000007	1.3899999999999999	3.31999999999999984	3.14000000000000012	-5.08000000000000007	0.00295999999999999996	8.33999999999999977e-06	Moderately soluble	-6.15000000000000036	0.000250999999999999975	7.05999999999999996e-07	Poorly soluble	-4.46999999999999975	0.0119000000000000009	3.35000000000000011e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	No	-5.26999999999999957	0	0	0	0	0	0.550000000000000044
2131	233.219999999999999	C12H11NO4	\N	\N	1	COc1cc(=O)n(c2c1ccc1c2OCO1)C	17	10	0.25	1	4	0	62.0200000000000031	49.6899999999999977	2.54999999999999982	1.02000000000000002	1.28000000000000003	1.16999999999999993	1.91999999999999993	1.59000000000000008	-2.29999999999999982	1.16999999999999993	0.00504000000000000021	Soluble	-1.64999999999999991	5.17999999999999972	0.022200000000000001	Very soluble	-3.06000000000000005	0.203999999999999987	0.000875000000000000018	Soluble	High	Yes	No	Yes	No	No	No	No	-7	0	0	0	0	0	0.550000000000000044
2133	172.22999999999999	C11H12N2	\N	\N	1	C1CC2=Nc3c(CN2C1)cccc3	13	6	0.359999999999999987	0	1	0	60.9500000000000028	15.5999999999999996	2.0299999999999998	0.989999999999999991	1.40999999999999992	2.45000000000000018	2.75	1.92999999999999994	-1.87000000000000011	2.31000000000000005	0.0134000000000000005	Very soluble	-0.910000000000000031	21.3999999999999986	0.123999999999999999	Very soluble	-3.14000000000000012	0.123999999999999999	0.000719000000000000021	Soluble	High	Yes	Yes	No	No	No	No	No	-6.65000000000000036	0	0	0	0	1	0.550000000000000044
2134	432.509999999999991	C24H32O7	\N	\N	1	COc1cc(OC)c(cc1[C@H]1O[C@H]([C@H]([C@@H]1C)c1cc(OC)c(cc1OC)OC)C)OC	31	12	0.5	8	7	0	117.849999999999994	64.6099999999999994	4.34999999999999964	4.17999999999999972	4.29000000000000004	1.77000000000000002	4.42999999999999972	3.79999999999999982	-4.91000000000000014	0.00527999999999999997	1.22000000000000001e-05	Moderately soluble	-5.25	0.00245999999999999995	5.67999999999999983e-06	Moderately soluble	-6.28000000000000025	0.000230000000000000007	5.30999999999999977e-07	Poorly soluble	High	Yes	No	No	No	No	Yes	No	-5.96999999999999975	0	0	0	0	0	0.550000000000000044
2135	414.490000000000009	C24H30O6	\N	\N	1	COc1cc(OC)c(cc1[C@@H]1[C@@H](C)C(=Cc2c1c(OC)c(OC)cc2OC)C)OC	30	12	0.419999999999999984	7	6	0	117.25	55.3800000000000026	4.30999999999999961	4.53000000000000025	4.80999999999999961	2.49000000000000021	4.98000000000000043	4.21999999999999975	-5.09999999999999964	0.00331000000000000001	7.97999999999999983e-06	Moderately soluble	-5.41000000000000014	0.00159000000000000005	3.85000000000000041e-06	Moderately soluble	-6.75999999999999979	7.14000000000000008e-05	1.72000000000000005e-07	Poorly soluble	High	Yes	No	No	No	No	Yes	No	-5.61000000000000032	0	0	0	0	0	0.550000000000000044
2136	199.210000000000008	C12H9NO2	\N	\N	1	COc1c2ccccc2nc2c1cco2	15	13	0.0800000000000000017	1	3	0	58.009999999999998	35.259999999999998	2.37999999999999989	2.89999999999999991	2.99000000000000021	1.95999999999999996	2.89000000000000012	2.62999999999999989	-3.47999999999999998	0.0664000000000000007	0.000333000000000000017	Soluble	-3.29999999999999982	0.0995999999999999941	0.00050000000000000001	Soluble	-4.71999999999999975	0.00377999999999999994	1.9000000000000001e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-5.45999999999999996	0	0	0	0	1	0.550000000000000044
2137	249.259999999999991	C16H11NO2	\N	\N	1	C1Oc2c(O1)cc(cc2)c1ccc2c(n1)cccc2	19	16	0.0599999999999999978	1	3	0	73.2399999999999949	31.3500000000000014	2.85999999999999988	3.70999999999999996	3.62999999999999989	2.66000000000000014	3.89999999999999991	3.35000000000000009	-4.28000000000000025	0.0131000000000000005	5.25000000000000022e-05	Moderately soluble	-4.05999999999999961	0.0217000000000000005	8.72000000000000054e-05	Moderately soluble	-5.98000000000000043	0.000262999999999999996	1.06000000000000002e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-5.19000000000000039	0	0	0	0	0	0.550000000000000044
2138	275.300000000000011	C15H17NO4	\N	\N	1	COc1c2C[C@@H](Oc2nc2c1cccc2)[C@@](CO)(O)C	20	10	0.400000000000000022	3	5	2	74.3599999999999994	71.8100000000000023	1.16999999999999993	1.44999999999999996	1.29000000000000004	0.969999999999999973	2.18999999999999995	1.40999999999999992	-2.62999999999999989	0.642000000000000015	0.00233000000000000004	Soluble	-2.56000000000000005	0.752000000000000002	0.00272999999999999979	Soluble	-3.58000000000000007	0.0725999999999999979	0.00026400000000000002	Soluble	High	No	Yes	No	No	No	No	No	-6.95000000000000018	0	0	0	0	0	0.550000000000000044
2140	174.219999999999999	C11H12NO	\N	\N	1	COc1cc[n+](c2c1cccc2)C	13	10	0.179999999999999993	1	1	0	54.0300000000000011	13.1099999999999994	-1.28000000000000003	1.55000000000000004	1.66999999999999993	1.78000000000000003	2.10000000000000009	1.15999999999999992	-2.39999999999999991	0.69399999999999995	0.00398000000000000003	Soluble	-1.42999999999999994	6.40000000000000036	0.0367000000000000035	Very soluble	-3.39000000000000012	0.0710999999999999965	0.000407999999999999997	Soluble	High	Yes	Yes	No	No	No	No	No	-6.25999999999999979	0	0	0	0	1	0.550000000000000044
2141	339.389999999999986	C20H21NO4	\N	\N	1	COc1c(OCC=C(C)C)cc2c(c1O)c(=O)c1c(n2C)cccc1	25	14	0.25	4	4	1	100.739999999999995	60.6899999999999977	3.60999999999999988	4.75	3.75	1.93999999999999995	3.81000000000000005	3.56999999999999984	-5.08999999999999986	0.00277999999999999992	8.17999999999999961e-06	Moderately soluble	-5.75	0.000596999999999999983	1.76000000000000009e-06	Moderately soluble	-5.37999999999999989	0.00143000000000000006	4.22000000000000025e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	No	-5	0	0	0	0	0	0.550000000000000044
2142	269.25	C15H11NO4	\N	\N	1	COc1c2OCOc2cc2c1c(=O)c1c([nH]2)cccc1	20	14	0.130000000000000004	1	4	1	74.6299999999999955	60.5499999999999972	2.24000000000000021	2.75999999999999979	2.41999999999999993	1.22999999999999998	3.47999999999999998	2.43000000000000016	-3.70000000000000018	0.0536999999999999977	0.000199000000000000012	Soluble	-3.68999999999999995	0.0553999999999999979	0.000205999999999999993	Soluble	-5.16999999999999993	0.00184000000000000006	6.83999999999999973e-06	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.98000000000000043	0	0	0	0	0	0.550000000000000044
2143	347.360000000000014	C18H21NO6	\N	\N	1	COc1c(OC[C@H](C(O)(C)C)O)ccc2c1nc1occc1c2OC	25	13	0.390000000000000013	6	7	2	92.5799999999999983	94.1800000000000068	3.2200000000000002	2.16000000000000014	2.50999999999999979	0.46000000000000002	2.7200000000000002	2.2200000000000002	-3.33999999999999986	0.158000000000000002	0.000453999999999999976	Soluble	-3.77000000000000002	0.058900000000000001	0.000170000000000000012	Soluble	-4.66999999999999993	0.00734000000000000017	2.11000000000000013e-05	Moderately soluble	High	No	Yes	Yes	No	No	Yes	No	-6.88999999999999968	0	0	0	0	0	0.550000000000000044
2144	460.519999999999982	C25H32O8	\N	\N	1	CCCC(=O)C1=C(O)C(=C(C(C1=O)(C)C)O)Cc1c(O)c(C)c(c(c1O)C(=O)CCC)OC	33	6	0.479999999999999982	9	8	4	124.629999999999995	141.360000000000014	2.75999999999999979	4.12000000000000011	4.54000000000000004	0.23000000000000001	4.99000000000000021	3.33000000000000007	-4.83000000000000007	0.00679000000000000003	1.46999999999999999e-05	Moderately soluble	-6.79999999999999982	7.38000000000000049e-05	1.60000000000000003e-07	Poorly soluble	-5.42999999999999972	0.00169999999999999991	3.68999999999999982e-06	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-6.17999999999999972	0	0	1	1	0	0.560000000000000053
2146	229.22999999999999	C13H11NO3	\N	\N	1	COc1cccc2c1nc1occc1c2OC	17	13	0.149999999999999994	2	4	0	64.5	44.490000000000002	2.52000000000000002	2.87000000000000011	3	1.64999999999999991	2.87999999999999989	2.58999999999999986	-3.5	0.0719999999999999946	0.000313999999999999989	Soluble	-3.45999999999999996	0.078799999999999995	0.000344000000000000013	Soluble	-4.84999999999999964	0.00322000000000000021	1.39999999999999998e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	Yes	-5.66000000000000014	0	0	0	0	0	0.550000000000000044
2147	301.339999999999975	C16H19N3O3	\N	\N	1	O=C(Cn1cnc2c(c1=O)cccc2)C[C@@H]1NCCC[C@H]1O	22	10	0.440000000000000002	4	5	2	86.8799999999999955	84.2199999999999989	2.39000000000000012	0.0800000000000000017	0.0899999999999999967	0.380000000000000004	1.40999999999999992	0.869999999999999996	-1.83000000000000007	4.45000000000000018	0.0148000000000000007	Very soluble	-1.39999999999999991	11.9000000000000004	0.0396000000000000033	Very soluble	-3.56000000000000005	0.0827999999999999986	0.000275000000000000017	Soluble	High	No	No	No	No	No	No	No	-8.08000000000000007	0	0	0	0	0	0.550000000000000044
2148	273.240000000000009	C14H11NO5	\N	\N	1	COc1c2OCOc2cc2c1nc1occc1c2OC	20	13	0.209999999999999992	2	6	0	70.5600000000000023	62.9500000000000028	2.83000000000000007	2.68000000000000016	2.72999999999999998	0.949999999999999956	2.77000000000000002	2.39000000000000012	-3.56999999999999984	0.073300000000000004	0.000268000000000000009	Soluble	-3.64999999999999991	0.0606000000000000011	0.000222000000000000002	Soluble	-4.59999999999999964	0.00689999999999999988	2.51999999999999993e-05	Moderately soluble	High	Yes	Yes	Yes	No	Yes	Yes	Yes	-6.05999999999999961	0	0	0	0	0	0.550000000000000044
2149	227.259999999999991	C14H13NO2	\N	\N	1	O=c1[nH]c2ccccc2c2c1C=CC(O2)(C)C	17	10	0.209999999999999992	0	2	1	68.6899999999999977	42.0900000000000034	2.5299999999999998	1.98999999999999999	2.60000000000000009	2.37000000000000011	3.45999999999999996	2.58999999999999986	-2.93999999999999995	0.262000000000000011	0.00114999999999999998	Soluble	-2.5	0.717999999999999972	0.00316000000000000005	Soluble	-4.48000000000000043	0.00751000000000000018	3.30000000000000025e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-6.26999999999999957	0	0	0	0	0	0.550000000000000044
2150	265.259999999999991	C16H11NO3	\N	\N	1	Oc1cc2occc2c2c1c(=O)c1ccccc1n2C	20	17	0.0599999999999999978	0	3	1	78.769999999999996	55.3699999999999974	2.56000000000000005	3.70999999999999996	3.14000000000000012	1.48999999999999999	2.95999999999999996	2.77000000000000002	-4.45000000000000018	0.00939000000000000078	3.53999999999999999e-05	Moderately soluble	-4.55999999999999961	0.00723999999999999991	2.72999999999999995e-05	Moderately soluble	-5.16000000000000014	0.00183000000000000003	6.8900000000000001e-06	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.28000000000000025	0	0	0	0	0	0.550000000000000044
2151	358.389999999999986	C20H22O6	\N	\N	1	COc1cc(ccc1O)C[C@H]1C(=O)OC[C@@H]1Cc1ccc(c(c1)OC)O	26	12	0.349999999999999978	6	6	2	96.1299999999999955	85.2199999999999989	2.52000000000000002	3.25999999999999979	2.68999999999999995	1.89999999999999991	3.45000000000000018	2.75999999999999979	-4.05999999999999961	0.0310999999999999992	8.67999999999999956e-05	Moderately soluble	-4.71999999999999975	0.00676999999999999998	1.88999999999999986e-05	Moderately soluble	-5.05999999999999961	0.00310999999999999992	8.67e-06	Moderately soluble	High	No	No	No	No	No	Yes	Yes	-6.16999999999999993	0	0	0	0	0	0.550000000000000044
2152	323.389999999999986	C20H21NO3	\N	\N	1	COc1ccc(cc1OC)CCc1cnc2c(c1OC)cccc2	24	16	0.25	6	4	0	95.480000000000004	40.5799999999999983	3.54000000000000004	4.32000000000000028	4.04999999999999982	2.60999999999999988	4.83999999999999986	3.87000000000000011	-4.66000000000000014	0.00700999999999999974	2.16999999999999989e-05	Moderately soluble	-4.88999999999999968	0.00419999999999999974	1.29999999999999992e-05	Moderately soluble	-7.38999999999999968	1.32999999999999997e-05	4.10000000000000032e-08	Poorly soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.20999999999999996	0	0	0	0	0	0.550000000000000044
2154	391.370000000000005	C19H21NO8	\N	\N	1	COc1c(ccc2c1nc1occc1c2OC)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	28	13	0.419999999999999984	4	9	3	97.480000000000004	123.640000000000001	2.62999999999999989	1.20999999999999996	1.19999999999999996	-0.469999999999999973	0.859999999999999987	1.09000000000000008	-3.10999999999999988	0.304999999999999993	0.000778999999999999962	Soluble	-3.39999999999999991	0.154999999999999999	0.000395000000000000006	Soluble	-3.14999999999999991	0.275000000000000022	0.000701000000000000017	Soluble	High	No	No	No	No	No	No	No	-7.83000000000000007	0	0	0	0	0	0.550000000000000044
2155	250.300000000000011	C16H14N2O	\N	\N	1	COc1nc(Cc2ccccc2)nc2c1cccc2	19	16	0.119999999999999996	3	3	0	75.480000000000004	35.009999999999998	3.14999999999999991	4.11000000000000032	3.22999999999999998	3.06999999999999984	3.83999999999999986	3.47999999999999998	-4.41000000000000014	0.0098200000000000006	3.91999999999999974e-05	Moderately soluble	-4.54999999999999982	0.00702999999999999979	2.80999999999999986e-05	Moderately soluble	-6.37999999999999989	0.000103999999999999994	4.13999999999999975e-07	Poorly soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-4.91000000000000014	0	0	0	0	0	0.550000000000000044
2156	236.27000000000001	C15H12N2O	\N	\N	1	O=c1nc(Cc2ccccc2)[nH]c2c1cccc2	18	16	0.0700000000000000067	2	2	1	71.8199999999999932	45.75	1.92999999999999994	2.77000000000000002	2.50999999999999979	2.87999999999999989	3.95999999999999996	2.81000000000000005	-3.58000000000000007	0.0627999999999999947	0.000266000000000000015	Soluble	-3.39000000000000012	0.0971000000000000058	0.000411000000000000015	Soluble	-6.16000000000000014	0.000162000000000000007	6.85000000000000006e-07	Poorly soluble	High	Yes	No	Yes	No	No	No	No	-5.76999999999999957	0	0	0	0	0	0.550000000000000044
2157	279.29000000000002	C17H13NO3	\N	\N	1	Cn1c(cc(=O)c2c1cccc2)c1ccc2c(c1)OCO2	21	16	0.119999999999999996	1	3	0	80.9699999999999989	40.4600000000000009	2.87999999999999989	3.14999999999999991	2.93000000000000016	1.97999999999999998	3.45999999999999996	2.87999999999999989	-4.04999999999999982	0.0246999999999999997	8.8300000000000005e-05	Moderately soluble	-3.66999999999999993	0.059799999999999999	0.000213999999999999998	Soluble	-5.44000000000000039	0.00102000000000000007	3.66000000000000011e-06	Moderately soluble	High	Yes	No	Yes	No	Yes	Yes	Yes	-5.76999999999999957	0	0	0	0	0	0.550000000000000044
2158	390.470000000000027	C22H30O6	\N	\N	1	C=CC[C@@]1(C[C@@H](OC)C=CC1=O)[C@@H]([C@H](c1cc(OC)c(c(c1)OC)OC)O)C	28	6	0.5	9	6	1	107.689999999999998	74.2199999999999989	3.47999999999999998	2.83000000000000007	3.16000000000000014	1.34000000000000008	4.13999999999999968	2.99000000000000021	-3.60999999999999988	0.0961999999999999938	0.000246000000000000016	Soluble	-4.04999999999999982	0.0350999999999999993	8.98000000000000008e-05	Moderately soluble	-4.44000000000000039	0.0140000000000000003	3.60000000000000009e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	Yes	-6.66999999999999993	0	0	0	0	0	0.550000000000000044
2159	486.519999999999982	C28H26N2O6	\N	\N	1	COc1c2c(O[C@@H]3[C@H]2[C@H]2[C@@H]3C(C)(C)Oc3c2c(=O)[nH]c2c3cccc2)nc2c1ccc(c2OC)OC	36	20	0.359999999999999987	3	7	1	134.710000000000008	91.9000000000000057	3.7200000000000002	3.58000000000000007	4.53000000000000025	2.83000000000000007	5.04000000000000004	3.93999999999999995	-5.32000000000000028	0.00229999999999999996	4.72999999999999961e-06	Moderately soluble	-5.20000000000000018	0.00309999999999999989	6.37e-06	Moderately soluble	-8.33999999999999986	2.20000000000000011e-06	4.52999999999999987e-09	Poorly soluble	High	No	Yes	No	No	Yes	Yes	Yes	-6.73000000000000043	0	2	0	0	0	0.550000000000000044
2161	245.22999999999999	C13H11NO4	\N	\N	1	COc1c(=O)ccc2c1[nH]c1occc1c2OC	18	13	0.149999999999999994	2	4	1	67.3199999999999932	64.4599999999999937	2.35000000000000009	1.37999999999999989	2.29000000000000004	0.75	3.00999999999999979	1.95999999999999996	-2.62999999999999989	0.571999999999999953	0.00233000000000000004	Soluble	-2.33999999999999986	1.12999999999999989	0.00459999999999999992	Soluble	-4.75999999999999979	0.00427000000000000036	1.73999999999999994e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-6.82000000000000028	0	0	0	0	0	0.550000000000000044
2162	362.45999999999998	C21H30O5	\N	\N	1	CC(=CCC1=C(O)[C@](C(=O)C(=C1O)C(=O)CC(C)C)(O)CC=C(C)C)C	26	0	0.520000000000000018	7	5	3	103.790000000000006	94.8299999999999983	3.18000000000000016	4.17999999999999972	4.25	1.12999999999999989	4.19000000000000039	3.39000000000000012	-4.25999999999999979	0.0200000000000000004	5.50999999999999976e-05	Moderately soluble	-5.87999999999999989	0.000478000000000000018	1.32000000000000007e-06	Moderately soluble	-3.31000000000000005	0.178999999999999992	0.000492999999999999949	Soluble	High	No	Yes	No	Yes	Yes	Yes	Yes	-5.54000000000000004	0	0	0	0	0	0.560000000000000053
2163	326.430000000000007	C20H26N2O2	\N	\N	1	CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O	24	10	0.550000000000000044	4	4	1	100.209999999999994	45.5900000000000034	3.16999999999999993	3.12999999999999989	2.68999999999999995	2.31000000000000005	3.12000000000000011	2.89000000000000012	-3.87999999999999989	0.0429999999999999966	0.00013200000000000001	Soluble	-3.75999999999999979	0.0572000000000000008	0.000174999999999999998	Soluble	-4.65000000000000036	0.00725999999999999996	2.22000000000000009e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.07000000000000028	0	0	0	0	0	0.550000000000000044
2164	199.210000000000008	C12H9NO2	\N	\N	1	Cn1c2ccccc2c(=O)c2c1occ2	15	13	0.0800000000000000017	0	2	0	59.240000000000002	35.1400000000000006	2.20999999999999996	2.50999999999999979	2.2799999999999998	1.62000000000000011	2.45999999999999996	2.2200000000000002	-3.29999999999999982	0.100000000000000006	0.000503999999999999999	Soluble	-2.89000000000000012	0.254000000000000004	0.0012800000000000001	Soluble	-4.05999999999999961	0.0172	8.6299999999999997e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-5.73000000000000043	0	0	0	0	1	0.550000000000000044
2165	295.329999999999984	C18H17NO3	\N	\N	1	COc1c(c2ccccc2)n(C)c2c(c1=O)cc(cc2)OC	22	16	0.170000000000000012	3	3	0	87.8900000000000006	40.4600000000000009	3.10000000000000009	3.47999999999999998	3.2200000000000002	1.81000000000000005	3.64000000000000012	3.04999999999999982	-4.20000000000000018	0.0184999999999999991	6.26000000000000037e-05	Moderately soluble	-4.00999999999999979	0.0286999999999999998	9.72999999999999934e-05	Moderately soluble	-5.92999999999999972	0.000344999999999999983	1.17000000000000002e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.62999999999999989	0	0	0	0	0	0.550000000000000044
2166	259.259999999999991	C14H13NO4	\N	\N	1	COc1cc2c(cc1OC)nc1c(c2OC)cco1	19	13	0.209999999999999992	3	5	0	70.9899999999999949	53.7199999999999989	2.87999999999999989	2.83999999999999986	3.00999999999999979	1.3600000000000001	2.89999999999999991	2.60000000000000009	-3.54000000000000004	0.0738999999999999935	0.000284999999999999989	Soluble	-3.62999999999999989	0.0613000000000000003	0.00023599999999999999	Soluble	-4.98000000000000043	0.00272999999999999979	1.04999999999999994e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.87000000000000011	0	0	0	0	0	0.550000000000000044
2168	460.519999999999982	C25H32O8	\N	\N	1	COc1c(C)c(O)c(c(c1C(=O)C(C)C)O)Cc1c(O)c(C)c(c(c1O)C(=O)C(C)C)OC	33	12	0.440000000000000002	8	8	4	126.519999999999996	133.52000000000001	1.98999999999999999	5.65000000000000036	4.41000000000000014	1.41999999999999993	5.30999999999999961	3.75999999999999979	-6	0.000465000000000000027	1.01000000000000007e-06	Moderately soluble	-8.22000000000000064	2.78999999999999997e-06	6.05000000000000041e-09	Poorly soluble	-5.45999999999999996	0.00160000000000000008	3.48000000000000014e-06	Moderately soluble	Low	No	No	No	No	No	No	No	-5.09999999999999964	0	0	0	1	1	0.550000000000000044
2169	243.300000000000011	C15H17NO2	\N	\N	1	Cn1c2ccccc2c(=O)c2c1OC([C@H]2C)(C)C	18	10	0.400000000000000022	0	2	0	73.269999999999996	31.2300000000000004	2.81000000000000005	2.87000000000000011	2.81000000000000005	2.29999999999999982	3.14000000000000012	2.79000000000000004	-3.56999999999999984	0.0657999999999999974	0.000270999999999999974	Soluble	-3.18999999999999995	0.159000000000000002	0.000653000000000000043	Soluble	-4.38999999999999968	0.00997999999999999929	4.10000000000000005e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	No	-5.75	0	0	0	0	0	0.550000000000000044
2170	414.579999999999984	C26H38O4	\N	\N	1	CC(=CCC1=C(O)C(C(=O)C(=C1O)C(=O)CC(C)C)(CC=C(C)C)CC=C(C)C)C	30	0	0.540000000000000036	9	4	2	125.900000000000006	74.5999999999999943	4.34999999999999964	6.73000000000000043	6.86000000000000032	2.93999999999999995	6.55999999999999961	5.49000000000000021	-6.05999999999999961	0.000364000000000000011	8.78000000000000001e-07	Poorly soluble	-8.09999999999999964	3.27999999999999994e-06	7.92000000000000077e-09	Poorly soluble	-5.11000000000000032	0.0032299999999999998	7.79999999999999986e-06	Moderately soluble	Low	No	Yes	No	Yes	No	No	Yes	-4.04999999999999982	0	1	0	1	1	0.560000000000000053
2171	414.449999999999989	C23H26O7	\N	\N	1	COc1cc2C[C@H]3COC(=O)[C@@H]3Cc3c(c2cc1OC)cc(OC)c(c3OC)OC	30	12	0.429999999999999993	5	7	0	110.560000000000002	72.4500000000000028	3.58999999999999986	3.58999999999999986	3.2799999999999998	2.02000000000000002	4.24000000000000021	3.33999999999999986	-4.63999999999999968	0.00954999999999999946	2.30999999999999991e-05	Moderately soluble	-4.79999999999999982	0.00659999999999999996	1.59000000000000002e-05	Moderately soluble	-6.29000000000000004	0.000212000000000000003	5.12000000000000032e-07	Poorly soluble	High	Yes	No	No	Yes	Yes	Yes	Yes	-6.28000000000000025	0	0	0	0	0	0.550000000000000044
2172	305.370000000000005	C17H23NO4	\N	\N	1	COc1c(C[C@H](C(C)C)O)c(=O)n(c2c1cccc2OC)C	22	10	0.469999999999999973	5	4	1	87.8100000000000023	60.6899999999999977	3.18999999999999995	2.16000000000000014	2.12000000000000011	1.78000000000000003	3.08999999999999986	2.4700000000000002	-3.10000000000000009	0.241999999999999993	0.000794000000000000001	Soluble	-3.06999999999999984	0.262000000000000011	0.000857000000000000014	Soluble	-4.11000000000000032	0.0235000000000000001	7.71000000000000038e-05	Moderately soluble	High	Yes	No	No	No	No	No	No	-6.62999999999999989	0	0	0	0	0	0.550000000000000044
2173	273.329999999999984	C16H19NO3	\N	\N	1	COc1cccc2c1n(C)c1c(c2=O)C[C@@H](O1)C(C)C	20	10	0.440000000000000002	2	3	0	79.730000000000004	40.4600000000000009	3.08000000000000007	3.29000000000000004	2.50999999999999979	1.96999999999999997	3.16999999999999993	2.79999999999999982	-3.85000000000000009	0.0389999999999999999	0.000143000000000000006	Soluble	-3.81000000000000005	0.0418999999999999997	0.000153000000000000006	Soluble	-4.17999999999999972	0.0179999999999999986	6.59000000000000026e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	No	-5.62999999999999989	0	0	0	0	0	0.550000000000000044
2175	243.210000000000008	C13H9NO4	\N	\N	1	COc1c2cc3OCOc3cc2nc2c1cco2	18	13	0.149999999999999994	1	5	0	64.0699999999999932	53.7199999999999989	2.64999999999999991	2.70999999999999996	2.7200000000000002	1.22999999999999998	2.77000000000000002	2.41999999999999993	-3.52000000000000002	0.0728000000000000036	0.000299000000000000004	Soluble	-3.49000000000000021	0.0783999999999999975	0.000322000000000000021	Soluble	-4.48000000000000043	0.00810999999999999915	3.3300000000000003e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-5.86000000000000032	0	0	0	0	0	0.550000000000000044
2176	259.259999999999991	C14H13NO4	\N	\N	1	COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1	19	13	0.209999999999999992	3	5	0	70.9899999999999949	53.7199999999999989	2.81000000000000005	2.83999999999999986	3.00999999999999979	1.3600000000000001	2.89999999999999991	2.58000000000000007	-3.54000000000000004	0.0738999999999999935	0.000284999999999999989	Soluble	-3.62999999999999989	0.0613000000000000003	0.00023599999999999999	Soluble	-4.98000000000000043	0.00272999999999999979	1.04999999999999994e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.87000000000000011	0	0	0	0	0	0.550000000000000044
2177	331.319999999999993	C17H17NO6	\N	\N	1	O[C@H](C(O)(C)C)COc1c2ccoc2nc2c1cc1OCOc1c2	24	13	0.349999999999999978	4	7	2	85.6599999999999966	94.1800000000000068	2.87999999999999989	1.80000000000000004	2.2200000000000002	0.900000000000000022	2.5	2.06000000000000005	-3.16999999999999993	0.227000000000000007	0.000684000000000000038	Soluble	-3.39999999999999991	0.133000000000000007	0.000400999999999999989	Soluble	-4.17999999999999972	0.0217000000000000005	6.55999999999999953e-05	Moderately soluble	High	No	Yes	Yes	No	No	Yes	Yes	-7.04000000000000004	0	0	0	0	0	0.550000000000000044
2178	302.360000000000014	C18H22O4	\N	\N	1	C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O	22	12	0.330000000000000016	5	4	4	88.019999999999996	80.9200000000000017	2.37000000000000011	4.30999999999999961	3.56999999999999984	2.74000000000000021	3.45000000000000018	3.29000000000000004	-4.5	0.00948000000000000058	3.13999999999999975e-05	Moderately soluble	-5.71999999999999975	0.000572000000000000026	1.8899999999999999e-06	Moderately soluble	-4.28000000000000025	0.0156999999999999987	5.19999999999999968e-05	Moderately soluble	High	No	Yes	No	No	Yes	Yes	Yes	-5.08000000000000007	0	0	0	0	0	0.550000000000000044
2179	516.539999999999964	C30H28O8	\N	\N	1	O=C(c1c(O)c(Cc2c(O)c(C)c(c(c2O)C(=O)C)O)c(c2c1OC(C)(C)C=C2)O)/C=C/c1ccccc1	38	18	0.200000000000000011	6	8	5	145.099999999999994	144.52000000000001	3.75999999999999979	5.91000000000000014	5.17999999999999972	1.65999999999999992	5.54999999999999982	4.41000000000000014	-6.71999999999999975	9.83000000000000041e-05	1.90000000000000007e-07	Poorly soluble	-8.72000000000000064	9.87000000000000037e-07	1.90999999999999981e-09	Poorly soluble	-6.38999999999999968	0.000209000000000000012	4.06000000000000009e-07	Poorly soluble	Low	No	No	No	Yes	No	No	No	-5.25	1	2	1	1	1	0.550000000000000044
2180	329.350000000000023	C18H19NO5	\N	\N	1	COc1c(OC)c(OC)c2c(c1OC)n(C)c1c(c2=O)cccc1	24	14	0.280000000000000027	4	5	0	92.9399999999999977	58.9200000000000017	3.25	3	2.72999999999999998	1.01000000000000001	3.18000000000000016	2.62999999999999989	-3.93999999999999995	0.0378000000000000003	0.000115000000000000003	Soluble	-3.89999999999999991	0.0413000000000000034	0.000125000000000000003	Soluble	-5.33000000000000007	0.00153999999999999992	4.68000000000000008e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-6.17999999999999972	0	0	0	0	0	0.550000000000000044
2181	313.300000000000011	C17H15NO5	\N	\N	1	COc1c(OC)c2OCOc2c2c1c(=O)c1c(n2C)cccc1	23	14	0.239999999999999991	2	5	0	86.019999999999996	58.9200000000000017	2.89000000000000012	2.87000000000000011	2.43999999999999995	1.17999999999999994	2.95999999999999996	2.4700000000000002	-3.91000000000000014	0.0386000000000000024	0.000123000000000000008	Soluble	-3.77000000000000002	0.0536000000000000018	0.000171000000000000009	Soluble	-4.83999999999999986	0.00455999999999999982	1.46000000000000008e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-6.16999999999999993	0	0	0	0	0	0.550000000000000044
2182	374.379999999999995	C20H22O7	\N	\N	1	COc1cc(ccc1O)C[C@H]1COC(=O)[C@]1(O)Cc1ccc(c(c1)OC)O	27	12	0.349999999999999978	6	7	3	97.3299999999999983	105.450000000000003	2.5299999999999998	2.5	1.80000000000000004	1.10000000000000009	2.95999999999999996	2.18000000000000016	-3.66999999999999993	0.0801999999999999935	0.000213999999999999998	Soluble	-4.36000000000000032	0.0162999999999999985	4.36999999999999983e-05	Moderately soluble	-4.69000000000000039	0.00757000000000000034	2.01999999999999997e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	Yes	-6.80999999999999961	0	0	0	0	0	0.550000000000000044
2183	331.410000000000025	C22H21NO2	\N	\N	1	COc1c(C)[nH]c2c(c1=O)c1CCCC=C(c1cc2)c1ccccc1	25	16	0.23000000000000001	2	2	1	103.069999999999993	42.0900000000000034	3.41999999999999993	4.91999999999999993	4.61000000000000032	3.2200000000000002	5.83999999999999986	4.40000000000000036	-5.33999999999999986	0.00152999999999999989	4.60999999999999991e-06	Moderately soluble	-5.54000000000000004	0.000955000000000000011	2.87999999999999995e-06	Moderately soluble	-7.75	5.87999999999999961e-06	1.76999999999999997e-08	Poorly soluble	High	Yes	No	Yes	Yes	Yes	No	Yes	-4.83000000000000007	0	0	0	0	0	0.550000000000000044
2184	324.370000000000005	C20H20O4	\N	\N	1	C[C@H]1Cc2ccc3c(c2[C@H]([C@@H]1C)c1ccc2c(c1)OCO2)OCO3	24	12	0.400000000000000022	1	4	0	90.0999999999999943	36.9200000000000017	3.56000000000000005	4.87999999999999989	4.09999999999999964	3.62000000000000011	4.37999999999999989	4.11000000000000032	-5.23000000000000043	0.00191000000000000002	5.90000000000000026e-06	Moderately soluble	-5.38999999999999968	0.00131999999999999999	4.07e-06	Moderately soluble	-5.58999999999999986	0.000836000000000000046	2.57999999999999986e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	No	-4.80999999999999961	0	0	0	0	0	0.550000000000000044
2185	400.379999999999995	C21H20O8	\N	\N	1	COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2O	29	12	0.380000000000000004	3	8	2	100.239999999999995	103.680000000000007	2.79000000000000004	2.60000000000000009	2.31999999999999984	1.47999999999999998	2.7799999999999998	2.39000000000000012	-4.07000000000000028	0.0342000000000000012	8.54000000000000023e-05	Moderately soluble	-4.42999999999999972	0.0149999999999999994	3.74999999999999967e-05	Moderately soluble	-4.29000000000000004	0.0204000000000000015	5.08999999999999972e-05	Moderately soluble	High	No	No	No	No	Yes	Yes	Yes	-6.90000000000000036	0	0	0	0	0	0.550000000000000044
2186	428.430000000000007	C23H24O8	\N	\N	1	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2OC	31	12	0.429999999999999993	5	8	0	109.180000000000007	81.6800000000000068	3.62000000000000011	3.25999999999999979	2.93000000000000016	1.90999999999999992	3.85999999999999988	3.10999999999999988	-4.50999999999999979	0.0132999999999999993	3.11999999999999994e-05	Moderately soluble	-4.65000000000000036	0.00961000000000000049	2.2399999999999999e-05	Moderately soluble	-5.66999999999999993	0.00091200000000000005	2.12999999999999994e-06	Moderately soluble	High	No	No	No	No	Yes	Yes	Yes	-6.59999999999999964	0	0	0	0	0	0.550000000000000044
2188	316.370000000000005	C18H22NO4	\N	\N	1	COc1c2C[C@@H](Oc2[n+](c2c1cc(OC)cc2OC)C)C(=C)C	23	10	0.390000000000000013	4	4	0	90.3100000000000023	40.7999999999999972	0.939999999999999947	3.87999999999999989	2.56999999999999984	2.14999999999999991	3.37999999999999989	2.58000000000000007	-4.29999999999999982	0.0156999999999999987	4.97000000000000019e-05	Moderately soluble	-4.42999999999999972	0.0115999999999999992	3.68e-05	Moderately soluble	-4.53000000000000025	0.00944000000000000047	2.98999999999999983e-05	Moderately soluble	High	Yes	No	No	Yes	No	Yes	No	-5.48000000000000043	0	0	0	0	0	0.550000000000000044
2189	188.22999999999999	C11H12N2O	\N	\N	1	O[C@@H]1CCN2C1=Nc1ccccc1C2	14	6	0.359999999999999987	0	2	1	62.1099999999999994	35.8299999999999983	1.6399999999999999	0.440000000000000002	0.380000000000000004	1.57000000000000006	1.80000000000000004	1.16999999999999993	-1.60000000000000009	4.70999999999999996	0.0250000000000000014	Very soluble	-0.760000000000000009	32.7000000000000028	0.173999999999999988	Very soluble	-2.33999999999999986	0.85199999999999998	0.00453000000000000017	Soluble	High	No	Yes	No	No	No	No	No	-7.13999999999999968	0	0	0	0	1	0.550000000000000044
2190	290.329999999999984	C16H20NO4	\N	\N	1	COc1c2C[C@@H](Oc2[n+](c2c1cccc2O)C)C(O)(C)C	21	10	0.440000000000000002	2	4	2	81.019999999999996	62.7999999999999972	-0.190000000000000002	2.2799999999999998	1.44999999999999996	1.47999999999999998	2.00999999999999979	1.40999999999999992	-3.29999999999999982	0.146999999999999992	0.000505000000000000024	Soluble	-3.24000000000000021	0.169000000000000011	0.000581000000000000028	Soluble	-3.12000000000000011	0.220000000000000001	0.000756999999999999969	Soluble	High	Yes	Yes	No	No	No	No	No	-6.45000000000000018	0	0	0	0	0	0.550000000000000044
2191	290.329999999999984	C16H20NO4	\N	\N	1	COc1c2C[C@@H](Oc2[n+](c2c1cc(O)cc2)C)C(O)(C)C	21	10	0.440000000000000002	2	4	2	81.019999999999996	62.7999999999999972	-0.930000000000000049	2.2799999999999998	1.44999999999999996	1.47999999999999998	2.00999999999999979	1.26000000000000001	-3.29999999999999982	0.146999999999999992	0.000505000000000000024	Soluble	-3.24000000000000021	0.169000000000000011	0.000581000000000000028	Soluble	-3.12000000000000011	0.220000000000000001	0.000756999999999999969	Soluble	High	Yes	Yes	No	No	No	No	No	-6.45000000000000018	0	0	0	0	0	0.550000000000000044
2192	215.199999999999989	C12H9NO3	\N	\N	1	COc1c2cccc(c2nc2c1cco2)O	16	13	0.0800000000000000017	1	4	1	60.0300000000000011	55.490000000000002	2.35000000000000009	2.54000000000000004	2.70000000000000018	1.37999999999999989	2.37999999999999989	2.27000000000000002	-3.31000000000000005	0.104999999999999996	0.000489999999999999984	Soluble	-3.35000000000000009	0.0956000000000000044	0.000444000000000000004	Soluble	-4.15000000000000036	0.0152	7.07999999999999998e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	Yes	-5.80999999999999961	0	0	0	0	0	0.550000000000000044
2193	488.439999999999998	C24H24O11	\N	\N	1	COc1cc2OCOc2cc1O[C@@H]1OC[C@H]2[C@@]1(CO[C@@H]2c1cc2OCOc2cc1OC)OC(=O)C	35	12	0.46000000000000002	7	11	0	115.439999999999998	109.370000000000005	4.17999999999999972	2.43999999999999995	2.25999999999999979	0.890000000000000013	2.83000000000000007	2.52000000000000002	-4.20000000000000018	0.0309999999999999998	6.34999999999999985e-05	Moderately soluble	-4.37999999999999989	0.0204000000000000015	4.16999999999999972e-05	Moderately soluble	-4.76999999999999957	0.0083700000000000007	1.70999999999999989e-05	Moderately soluble	High	No	No	No	No	Yes	Yes	No	-7.54999999999999982	1	1	0	0	1	0.550000000000000044
2194	307.339999999999975	C19H17NO3	\N	\N	1	CC(=C)[C@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2	23	14	0.209999999999999992	1	3	1	92.2900000000000063	51.4600000000000009	3.10999999999999988	4.62000000000000011	3.2799999999999998	2.27000000000000002	3.7200000000000002	3.39999999999999991	-5.04000000000000004	0.00279999999999999997	9.10999999999999917e-06	Moderately soluble	-5.42999999999999972	0.00114999999999999998	3.7500000000000001e-06	Moderately soluble	-5.15000000000000036	0.00217000000000000005	7.06000000000000017e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	No	-4.88999999999999968	0	0	0	0	0	0.550000000000000044
2196	259.259999999999991	C14H13NO4	\N	\N	1	COc1ccc2c(c1OC)nc1c(c2OC)cco1	19	13	0.209999999999999992	3	5	0	70.9899999999999949	53.7199999999999989	2.7799999999999998	2.83999999999999986	3.00999999999999979	1.3600000000000001	2.89999999999999991	2.58000000000000007	-3.54000000000000004	0.0738999999999999935	0.000284999999999999989	Soluble	-3.62999999999999989	0.0613000000000000003	0.00023599999999999999	Soluble	-4.98000000000000043	0.00272999999999999979	1.04999999999999994e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.87000000000000011	0	0	0	0	0	0.550000000000000044
2197	205.210000000000008	C11H11NO3	\N	\N	1	COc1c(OC)c(=O)[nH]c2c1cccc2	15	10	0.179999999999999993	2	3	1	57.5499999999999972	51.3200000000000003	2.08000000000000007	1.19999999999999996	1.55000000000000004	1.05000000000000004	2.56000000000000005	1.68999999999999995	-2.22999999999999998	1.20999999999999996	0.00589000000000000027	Soluble	-1.87000000000000011	2.74000000000000021	0.0134000000000000005	Very soluble	-3.87000000000000011	0.0276999999999999989	0.000135000000000000002	Soluble	High	Yes	No	Yes	No	No	No	No	-6.70000000000000018	0	0	0	0	0	0.550000000000000044
2198	248.240000000000009	C15H8N2O2	\N	\N	1	O=C1c2nc3ccccc3c(=O)n2c2c1cccc2	19	16	0	0	3	0	70.769999999999996	51.9600000000000009	1.94999999999999996	2.04999999999999982	1.92999999999999994	1.82000000000000006	2.62999999999999989	2.08000000000000007	-3.29000000000000004	0.126000000000000001	0.000507999999999999988	Soluble	-2.77000000000000002	0.421999999999999986	0.00169999999999999991	Soluble	-5.08999999999999986	0.00200000000000000004	8.07000000000000066e-06	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-6.36000000000000032	0	0	0	0	0	0.550000000000000044
2199	204.22999999999999	C11H12N2O2	\N	\N	1	Oc1ccc2c(c1)CN1C(=N2)[C@H](CC1)O	15	6	0.359999999999999987	0	3	2	64.1299999999999955	56.0600000000000023	1.39999999999999991	0.0899999999999999967	0.0899999999999999967	0.989999999999999991	1.28000000000000003	0.770000000000000018	-1.45999999999999996	7.09999999999999964	0.0347999999999999976	Very soluble	-0.819999999999999951	30.8000000000000007	0.150999999999999995	Very soluble	-1.77000000000000002	3.43999999999999995	0.0168999999999999984	Soluble	High	No	Yes	No	No	No	No	No	-7.48000000000000043	0	0	0	0	0	0.550000000000000044
2200	202.210000000000008	C11H10N2O2	\N	\N	1	O[C@H]1CCn2c1nc1ccccc1c2=O	15	10	0.270000000000000018	0	3	1	56.0900000000000034	55.1199999999999974	1.66999999999999993	0.520000000000000018	0.510000000000000009	0.780000000000000027	1.22999999999999998	0.939999999999999947	-1.90999999999999992	2.45999999999999996	0.0122000000000000008	Very soluble	-1.25	11.4000000000000004	0.0565000000000000016	Very soluble	-2.43999999999999995	0.733999999999999986	0.00362999999999999998	Soluble	High	No	No	No	No	No	No	No	-7.16000000000000014	0	0	0	0	0	0.550000000000000044
2201	334.389999999999986	C18H24NO5	\N	\N	1	COc1c2C[C@H](Oc2[n+](c2c1ccc(c2OC)OC)C)C(O)(C)C	24	10	0.5	4	5	1	91.980000000000004	61.0300000000000011	0.270000000000000018	2.56999999999999984	1.76000000000000001	1.41999999999999993	2.60999999999999988	1.72999999999999998	-3.58000000000000007	0.0885999999999999982	0.00026499999999999999	Soluble	-3.5	0.105999999999999997	0.000315999999999999983	Soluble	-3.93000000000000016	0.0393999999999999975	0.000117999999999999995	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.51999999999999957	0	0	0	0	0	0.550000000000000044
2202	418.519999999999982	C24H34O6	\N	\N	1	COC[C@H]([C@H](Cc1ccc(c(c1)OC)OC)COC)Cc1ccc(c(c1)OC)OC	30	12	0.5	13	6	0	117.680000000000007	55.3800000000000026	4.24000000000000021	4.24000000000000021	4.03000000000000025	2.43000000000000016	5.58000000000000007	4.09999999999999964	-4.54000000000000004	0.0120000000000000002	2.86000000000000006e-05	Moderately soluble	-5.11000000000000032	0.00322000000000000021	7.68999999999999922e-06	Moderately soluble	-7.29999999999999982	2.08999999999999998e-05	4.98999999999999968e-08	Poorly soluble	High	Yes	Yes	No	No	No	Yes	Yes	-5.83999999999999986	0	0	1	0	0	0.550000000000000044
2204	264.360000000000014	C15H24N2O2	\N	\N	1	O=C1CCC[C@H]2N1C[C@@H]1CCC[N@@+]3([C@@H]1[C@@H]2CCC3)[O-]	19	0	0.930000000000000049	0	2	0	82.9500000000000028	49.740000000000002	1.71999999999999997	1.1100000000000001	1.12000000000000011	0.390000000000000013	0.380000000000000004	0.939999999999999947	-2.18000000000000016	1.75	0.00662999999999999961	Soluble	-1.75	4.73000000000000043	0.0178999999999999992	Very soluble	-1.82000000000000006	3.9700000000000002	0.0149999999999999994	Soluble	High	Yes	Yes	No	No	No	No	No	-7.12000000000000011	0	0	0	0	0	0.550000000000000044
2205	244.330000000000013	C15H20N2O	\N	\N	1	O=c1cccc2n1C[C@H]1C[C@@H]2CN2[C@@H]1CCCC2	18	6	0.67000000000000004	0	2	0	75.8499999999999943	25.2399999999999984	2.64999999999999991	1.56000000000000005	1.43999999999999995	2.37999999999999989	1.62000000000000011	1.92999999999999994	-2.58000000000000007	0.63600000000000001	0.00259999999999999988	Soluble	-1.69999999999999996	4.87000000000000011	0.0200000000000000004	Very soluble	-2.5299999999999998	0.72799999999999998	0.00298000000000000001	Soluble	High	Yes	No	No	No	No	Yes	No	-6.67999999999999972	0	0	0	0	0	0.550000000000000044
2206	234.340000000000003	C14H22N2O	\N	\N	1	C=CC[C@@H]1NC[C@H]2C[C@@H]1CN1[C@@H]2CCCC1=O	17	0	0.790000000000000036	2	2	1	76.3199999999999932	32.3400000000000034	2.62000000000000011	1.37000000000000011	0.790000000000000036	1.89999999999999991	1.72999999999999998	1.67999999999999994	-2.02000000000000002	2.2200000000000002	0.00945999999999999966	Soluble	-1.64999999999999991	5.21999999999999975	0.0223000000000000004	Very soluble	-2.14000000000000012	1.68999999999999995	0.00723000000000000032	Soluble	High	Yes	No	No	No	No	No	No	-6.75999999999999979	0	0	0	0	0	0.550000000000000044
2207	248.360000000000014	C15H24N2O	\N	\N	1	O=C1[C@H]2C[C@@H]([C@@H]3N1CCCC3)CN1[C@H]2CCCC1	18	0	0.930000000000000049	0	2	0	79.5799999999999983	23.5500000000000007	2.75	1.70999999999999996	1.1100000000000001	2.27000000000000002	1.34000000000000008	1.84000000000000008	-2.45999999999999996	0.866999999999999993	0.00349000000000000005	Soluble	-1.82000000000000006	3.75999999999999979	0.0151000000000000006	Very soluble	-1.67999999999999994	5.16999999999999993	0.020799999999999999	Soluble	High	Yes	No	No	No	No	No	No	-6.59999999999999964	0	0	0	0	0	0.550000000000000044
2208	406.480000000000018	C23H26N4O3	\N	\N	1	O=C(N1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1)N1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1	30	12	0.520000000000000018	2	3	0	120.760000000000005	67.5499999999999972	2.5299999999999998	0.510000000000000009	0.910000000000000031	2.56000000000000005	0.709999999999999964	1.43999999999999995	-2.85000000000000009	0.57999999999999996	0.00143000000000000006	Soluble	-1.5	12.9000000000000004	0.031699999999999999	Very soluble	-3.27000000000000002	0.219	0.000537999999999999958	Soluble	High	No	No	No	No	No	No	Yes	-8.41999999999999993	0	0	0	0	0	0.550000000000000044
2210	260.329999999999984	C15H20N2O2	\N	\N	1	O[C@H]1CCN2[C@H](C1)[C@@H]1C[C@H](C2)c2n(C1)c(=O)ccc2	19	6	0.67000000000000004	0	3	1	77.019999999999996	45.4699999999999989	2.33000000000000007	0.589999999999999969	0.409999999999999976	1.53000000000000003	0.689999999999999947	1.1100000000000001	-2.06000000000000005	2.27000000000000002	0.00872000000000000032	Soluble	-1.12000000000000011	19.8000000000000007	0.0762000000000000038	Very soluble	-1.71999999999999997	4.98000000000000043	0.0190999999999999989	Soluble	High	No	No	No	No	No	Yes	No	-7.46999999999999975	0	0	0	0	0	0.550000000000000044
2211	357.449999999999989	C20H27N3O3	\N	\N	1	O=C1CCC[C@H]2N1C[C@@H]1C[C@H]2CN2[C@H]1C[C@H](CC2)OC(=O)c1ccc[nH]1	26	5	0.699999999999999956	3	4	1	104.739999999999995	65.6400000000000006	2.62999999999999989	1.95999999999999996	1.27000000000000002	1.69999999999999996	1.37999999999999989	1.79000000000000004	-3.24000000000000021	0.20799999999999999	0.000582000000000000052	Soluble	-2.95999999999999996	0.389000000000000012	0.00109000000000000004	Soluble	-2.81999999999999984	0.544000000000000039	0.00152000000000000008	Soluble	High	Yes	No	No	No	No	Yes	No	-7.08999999999999986	0	0	0	0	0	0.550000000000000044
2212	230.310000000000002	C14H18N2O	\N	\N	1	O=c1cccc2n1C[C@@H]1C[C@H]2CN2[C@@H]1CCC2	17	6	0.640000000000000013	0	2	0	71.0499999999999972	25.2399999999999984	2.4700000000000002	1.20999999999999996	1.05000000000000004	2.12000000000000011	1.3899999999999999	1.64999999999999991	-2.29000000000000004	1.17999999999999994	0.00510999999999999996	Soluble	-1.34000000000000008	10.5999999999999996	0.0459999999999999992	Very soluble	-2.25	1.30000000000000004	0.00564000000000000005	Soluble	High	Yes	No	No	No	No	Yes	No	-6.84999999999999964	0	0	0	0	0	0.550000000000000044
2213	204.27000000000001	C12H16N2O	\N	\N	1	CN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1	15	6	0.57999999999999996	0	2	0	63.5499999999999972	25.2399999999999984	2.22999999999999998	0.650000000000000022	0.520000000000000018	1.59000000000000008	1.15999999999999992	1.22999999999999998	-1.81000000000000005	3.14999999999999991	0.0154000000000000005	Very soluble	-0.760000000000000009	35.7999999999999972	0.174999999999999989	Very soluble	-2.04000000000000004	1.87999999999999989	0.00923000000000000036	Soluble	High	No	No	No	No	No	No	No	-7.08000000000000007	0	0	0	0	0	0.550000000000000044
2214	430.490000000000009	C23H30N2O6	\N	\N	1	COc1c(O)cc(cc1O)C(=O)O[C@H]1CCN2[C@@H](C1)[C@H]1C[C@@H](C2)[C@@H]2N(C1)C(=O)CCC2	31	6	0.650000000000000022	4	7	2	120.920000000000002	99.5400000000000063	3.27000000000000002	2.10000000000000009	1.37000000000000011	1.54000000000000004	0.949999999999999956	1.85000000000000009	-3.70999999999999996	0.0836999999999999966	0.000193999999999999999	Soluble	-3.81999999999999984	0.0651000000000000051	0.000151000000000000011	Soluble	-2.52000000000000002	1.29000000000000004	0.00299000000000000004	Soluble	High	No	Yes	No	No	No	Yes	No	-7.44000000000000039	0	0	0	0	0	0.550000000000000044
2215	190.240000000000009	C11H14N2O	\N	\N	1	O=c1cccc2n1C[C@@H]1CNC[C@H]2C1	14	6	0.550000000000000044	0	2	1	58.6499999999999986	34.0300000000000011	1.87000000000000011	0.179999999999999993	0.170000000000000012	1.30000000000000004	1.28000000000000003	0.959999999999999964	-1.44999999999999996	6.75	0.0354999999999999968	Very soluble	-0.450000000000000011	67.0999999999999943	0.35299999999999998	Very soluble	-2.35999999999999988	0.82999999999999996	0.00436999999999999975	Soluble	High	No	No	No	No	No	No	No	-7.33000000000000007	0	0	0	0	1	0.550000000000000044
2217	408.54000000000002	C24H32N4O2	\N	\N	1	CN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)c(cc1)C1=C2[C@H]3C[C@@H](CN2C(=O)CC1)CN(C3)C	30	6	0.67000000000000004	1	4	0	129.189999999999998	48.7899999999999991	3.50999999999999979	0.299999999999999989	0.67000000000000004	2.18000000000000016	1.52000000000000002	1.6399999999999999	-2.64000000000000012	0.927000000000000046	0.00226999999999999988	Soluble	-0.890000000000000013	53	0.130000000000000004	Very soluble	-3.45000000000000018	0.14499999999999999	0.00035500000000000001	Soluble	High	Yes	No	Yes	No	No	Yes	Yes	-8.58000000000000007	0	0	0	0	0	0.550000000000000044
2218	264.360000000000014	C15H24N2O2	\N	\N	1	O=C1CCCC(=O)N1C[C@H]1CCCN2[C@@H]1CCCC2	19	0	0.869999999999999996	2	3	0	81.9000000000000057	40.6199999999999974	2.75999999999999979	1.19999999999999996	1.03000000000000003	2.12000000000000011	1.78000000000000003	1.78000000000000003	-2.10000000000000009	2.08999999999999986	0.00788999999999999944	Soluble	-1.64999999999999991	5.92999999999999972	0.0223999999999999998	Very soluble	-2.16000000000000014	1.82000000000000006	0.00689000000000000029	Soluble	High	Yes	No	No	No	No	No	No	-7.05999999999999961	0	0	0	0	0	0.550000000000000044
2219	248.360000000000014	C15H24N2O	\N	\N	1	O=C1CCC[C@H]2N1C[C@@H]1C[C@H]2CN2[C@H]1CCCC2	18	0	0.930000000000000049	0	2	0	79.5799999999999983	23.5500000000000007	2.66999999999999993	1.58000000000000007	1.1100000000000001	2.27000000000000002	1.34000000000000008	1.80000000000000004	-2.37999999999999989	1.05000000000000004	0.0042100000000000002	Soluble	-1.68999999999999995	5.12999999999999989	0.0206000000000000003	Very soluble	-1.67999999999999994	5.16999999999999993	0.020799999999999999	Soluble	High	Yes	No	No	No	No	No	No	-6.69000000000000039	0	0	0	0	0	0.550000000000000044
2220	169.259999999999991	C10H19NO	\N	\N	1	OC[C@@H]1CCCN2[C@@H]1CCCC2	12	0	1	1	2	1	53.9299999999999997	23.4699999999999989	2.29000000000000004	1.23999999999999999	0.859999999999999987	1.52000000000000002	1.37000000000000011	1.45999999999999996	-1.60000000000000009	4.20999999999999996	0.0248999999999999985	Very soluble	-1.33000000000000007	7.90000000000000036	0.0466999999999999985	Very soluble	-1.08000000000000007	14.1999999999999993	0.0839000000000000024	Soluble	High	Yes	No	No	No	No	No	No	-6.45000000000000018	0	0	0	0	1	0.550000000000000044
2221	248.360000000000014	C15H24N2O	\N	\N	1	O=C1CCC[C@H]2N1C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3	18	0	0.930000000000000049	0	2	0	79.5799999999999983	23.5500000000000007	2.7200000000000002	1.58000000000000007	1.1100000000000001	2.27000000000000002	1.34000000000000008	1.80000000000000004	-2.37999999999999989	1.05000000000000004	0.0042100000000000002	Soluble	-1.68999999999999995	5.12999999999999989	0.0206000000000000003	Very soluble	-1.67999999999999994	5.16999999999999993	0.020799999999999999	Soluble	High	Yes	No	No	No	No	No	No	-6.69000000000000039	0	0	0	0	0	0.550000000000000044
2222	264.360000000000014	C15H24N2O2	\N	\N	1	O[C@@H]1CC(=O)N2[C@H](C1)[C@H]1C[C@@H](C2)[C@H]2N(C1)CCCC2	19	0	0.930000000000000049	0	3	1	80.75	43.7800000000000011	2.33999999999999986	0.599999999999999978	0.0800000000000000017	1.41999999999999993	0.419999999999999984	0.969999999999999973	-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
2224	244.330000000000013	C15H20N2O	\N	\N	1	C=CCCN1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1	18	6	0.530000000000000027	3	2	0	77.5	25.2399999999999984	2.83999999999999986	1.76000000000000001	1.45999999999999996	2.29000000000000004	2.20999999999999996	2.10999999999999988	-2.50999999999999979	0.751000000000000001	0.00306999999999999981	Soluble	-1.90999999999999992	3.02000000000000002	0.0123999999999999996	Very soluble	-2.89999999999999991	0.304999999999999993	0.00125000000000000003	Soluble	High	Yes	No	No	No	No	Yes	No	-6.54000000000000004	0	0	0	0	0	0.550000000000000044
2225	244.330000000000013	C15H20N2O	\N	\N	1	O=c1cccc2n1C[C@@H]1CCCN3[C@@H]1[C@@H]2CCC3	18	6	0.67000000000000004	0	2	0	75.8599999999999994	25.2399999999999984	2.54999999999999982	1.56000000000000005	1.43999999999999995	2.37999999999999989	1.62000000000000011	1.90999999999999992	-2.58000000000000007	0.63600000000000001	0.00259999999999999988	Soluble	-1.69999999999999996	4.87000000000000011	0.0200000000000000004	Very soluble	-2.5299999999999998	0.72799999999999998	0.00298000000000000001	Soluble	High	Yes	No	No	No	No	Yes	No	-6.67999999999999972	0	0	0	0	0	0.550000000000000044
2226	234.379999999999995	C15H26N2	\N	\N	1	C1CC[C@@H]2N(C1)C[C@@H]1C[C@H]2CN2[C@@H]1CCCC2	17	0	1	0	2	0	79.3799999999999955	6.48000000000000043	3.08999999999999986	2.54000000000000004	1.58000000000000007	2.87999999999999989	1.68999999999999995	2.35999999999999988	-2.89000000000000012	0.299999999999999989	0.0012800000000000001	Soluble	-2.31999999999999984	1.1100000000000001	0.00474999999999999988	Soluble	-1.79000000000000004	3.75999999999999979	0.0160000000000000003	Soluble	Low	Yes	No	No	No	No	No	No	-5.92999999999999972	0	0	0	0	0	0.550000000000000044
2227	302.189999999999998	C14H6O8	\N	\N	1	Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O	22	16	0	0	8	4	75.3100000000000023	141.340000000000003	0.790000000000000036	1.10000000000000009	1.31000000000000005	0.140000000000000013	1.66999999999999993	1	-2.93999999999999995	0.343000000000000027	0.00113999999999999995	Soluble	-3.66000000000000014	0.0660000000000000031	0.000218000000000000013	Soluble	-3.35000000000000009	0.13600000000000001	0.000449000000000000018	Soluble	High	No	No	Yes	No	No	No	No	-7.36000000000000032	0	0	1	1	0	0.550000000000000044
2228	244.330000000000013	C15H20N2O	\N	\N	1	O=c1cccc2n1C[C@H]1C[C@@H]2CN2[C@H]1CCCC2	18	6	0.67000000000000004	0	2	0	75.8499999999999943	25.2399999999999984	2.60000000000000009	1.56000000000000005	1.43999999999999995	2.37999999999999989	1.62000000000000011	1.91999999999999993	-2.58000000000000007	0.63600000000000001	0.00259999999999999988	Soluble	-1.69999999999999996	4.87000000000000011	0.0200000000000000004	Very soluble	-2.5299999999999998	0.72799999999999998	0.00298000000000000001	Soluble	High	Yes	No	No	No	No	Yes	No	-6.67999999999999972	0	0	0	0	0	0.550000000000000044
2229	244.330000000000013	C15H20N2O	\N	\N	1	C=CC[C@H]1N(C)C[C@@H]2C[C@H]1Cn1c2cccc1=O	18	6	0.530000000000000027	2	2	0	77.5	25.2399999999999984	2.7200000000000002	1.82000000000000006	1.45999999999999996	2.29000000000000004	1.91999999999999993	2.04000000000000004	-2.62000000000000011	0.59099999999999997	0.00241999999999999984	Soluble	-1.96999999999999997	2.62000000000000011	0.0106999999999999994	Very soluble	-2.66000000000000014	0.539000000000000035	0.00221000000000000016	Soluble	High	Yes	No	No	No	No	Yes	No	-6.5	0	0	0	0	0	0.550000000000000044
2230	384.639999999999986	C26H44N2	\N	\N	1	C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1[C@H]2CC[C@@H]2C(=C1)CC[C@@H](C2(C)C)N(C)C)C)N	28	0	0.849999999999999978	2	2	1	122.519999999999996	29.2600000000000016	4.37000000000000011	5.37999999999999989	5.79000000000000004	5.09999999999999964	4.36000000000000032	5	-5.48000000000000043	0.00127000000000000008	3.28999999999999984e-06	Moderately soluble	-5.75	0.000685999999999999978	1.7799999999999999e-06	Moderately soluble	-5.08999999999999986	0.00311999999999999994	8.11000000000000028e-06	Moderately soluble	High	Yes	No	No	No	No	No	No	-4.83000000000000007	1	2	0	0	1	0.550000000000000044
2231	852.059999999999945	C45H73NO14	\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@@H]3N4C[C@H](CC3)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	60	0	0.959999999999999964	7	15	8	221.02000000000001	220.460000000000008	5.58999999999999986	1.75	0.800000000000000044	-0.400000000000000022	-1.33000000000000007	1.28000000000000003	-5.75999999999999979	0.00146999999999999995	1.72000000000000005e-06	Moderately soluble	-6	0.000858000000000000039	1.01000000000000007e-06	Moderately soluble	0.160000000000000003	1240	1.44999999999999996	Soluble	Low	No	Yes	No	No	No	No	No	-10.2599999999999998	3	3	1	1	5	0.170000000000000012
2272	329.389999999999986	C19H23NO4	\N	\N	1	COC(=O)[C@H]1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H]2N([C@@H]1CC2)C	24	6	0.469999999999999973	6	5	0	94.5600000000000023	55.8400000000000034	3.54999999999999982	2.72999999999999998	1.78000000000000003	2.29999999999999982	2.20999999999999996	2.50999999999999979	-3.39000000000000012	0.134000000000000008	0.000406000000000000002	Soluble	-3.56000000000000005	0.0913999999999999951	0.000277000000000000011	Soluble	-2.9700000000000002	0.354999999999999982	0.00108000000000000001	Soluble	High	Yes	No	Yes	No	No	No	No	-6.37000000000000011	0	0	0	0	0	0.550000000000000044
2233	411.620000000000005	C27H41NO2	\N	\N	1	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C	30	0	0.849999999999999978	0	3	2	127.010000000000005	41.490000000000002	4.38999999999999968	3.52000000000000002	4.62000000000000011	4.41999999999999993	3.95999999999999996	4.17999999999999972	-4.61000000000000032	0.0100999999999999996	2.46000000000000016e-05	Moderately soluble	-4.08000000000000007	0.0345999999999999988	8.40999999999999978e-05	Moderately soluble	-4.79000000000000004	0.00672000000000000028	1.62999999999999998e-05	Moderately soluble	High	Yes	Yes	No	No	No	No	No	-6.30999999999999961	1	1	0	0	0	0.550000000000000044
2234	400.680000000000007	C27H48N2	\N	\N	1	CN[C@H]1CC[C@]23[C@H](C1(C)C)CC[C@@H]1[C@@]3(C2)CC[C@]2([C@@]1(C)CC[C@@H]2[C@@H](N(C)C)C)C	29	0	1	3	2	1	125.730000000000004	15.2699999999999996	4.70999999999999996	7.01999999999999957	5.95999999999999996	5.55999999999999961	5.24000000000000021	5.70000000000000018	-6.54999999999999982	0.000112999999999999996	2.8299999999999998e-07	Poorly soluble	-7.16000000000000014	2.79000000000000005e-05	6.96999999999999955e-08	Poorly soluble	-6.33999999999999986	0.000181000000000000009	4.52999999999999993e-07	Poorly soluble	High	No	No	No	No	No	No	No	-3.75999999999999979	1	2	0	1	1	0.550000000000000044
2235	416.680000000000007	C27H48N2O	\N	\N	1	CN[C@H]1CC[C@]23[C@H](C1(C)C)CC[C@@H]1[C@@]3(C2)CC[C@]2([C@@]1(C)C[C@H]([C@@H]2[C@@H](N(C)C)C)O)C	30	0	1	3	3	2	126.890000000000001	35.5	4.28000000000000025	5.86000000000000032	4.92999999999999972	4.67999999999999972	4.34999999999999964	4.82000000000000028	-5.91999999999999993	0.000503999999999999999	1.21000000000000006e-06	Moderately soluble	-6.37999999999999989	0.000174999999999999998	4.1899999999999998e-07	Poorly soluble	-5.51999999999999957	0.00125000000000000003	2.99000000000000017e-06	Moderately soluble	High	Yes	No	No	No	No	No	No	-4.67999999999999972	1	1	0	0	1	0.550000000000000044
2236	1018.19000000000005	C50H83NO20	\N	\N	1	OC[C@@H]1O[C@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@H]3N2C[C@@H](CC3)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)O)O[C@H]1OC[C@H]([C@@H]([C@@H]1O)O)O)O)O)O	71	0	1	11	21	12	250.240000000000009	319.839999999999975	5.20999999999999996	0.0500000000000000028	-2.70999999999999996	-3.39000000000000012	-4.15000000000000036	-1	-5.45999999999999996	0.00354000000000000018	3.48000000000000014e-06	Moderately soluble	-6.32000000000000028	0.00048799999999999999	4.78999999999999988e-07	Poorly soluble	2.75	575000	565	Soluble	Low	No	Yes	No	No	No	No	No	-12.4800000000000004	3	4	2	1	5	0.170000000000000012
2237	317.509999999999991	C21H35NO	\N	\N	1	N[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C	23	0	0.949999999999999956	1	2	1	96.9899999999999949	43.0900000000000034	3.33999999999999986	4.61000000000000032	4.55999999999999961	4.15000000000000036	3.68000000000000016	4.07000000000000028	-4.65000000000000036	0.0071599999999999997	2.25000000000000014e-05	Moderately soluble	-5.24000000000000021	0.00183000000000000003	5.75999999999999991e-06	Moderately soluble	-3.91999999999999993	0.0381000000000000019	0.000120000000000000003	Soluble	High	Yes	No	No	No	No	No	No	-4.95999999999999996	1	0	0	0	0	0.550000000000000044
2238	509.629999999999995	C27H43NO8	\N	\N	1	C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]([C@]2(C)O)[C@@H](O)[C@@H]([C@@]2([C@H]1C[C@]13[C@H]2[C@H](O)C[C@H]2[C@]3(C)CC[C@@H]([C@]2(O1)O)O)O)O	36	0	1	0	9	7	133.030000000000001	154.080000000000013	3.83000000000000007	-1.05000000000000004	-1.18999999999999995	0.220000000000000001	-1.05000000000000004	0.149999999999999994	-2.33999999999999986	2.33999999999999986	0.00459000000000000033	Soluble	-1.69999999999999996	10.1999999999999993	0.0200999999999999998	Very soluble	0.0400000000000000008	559	1.10000000000000009	Soluble	Low	No	No	No	No	No	No	No	-10.1500000000000004	2	4	1	1	2	0.170000000000000012
2239	429.639999999999986	C27H43NO3	\N	\N	1	O[C@H]1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C	31	0	0.959999999999999964	0	4	2	128.330000000000013	60.7700000000000031	3.70000000000000018	3.85000000000000009	3.50999999999999979	3.68000000000000016	2.75	3.5	-4.92999999999999972	0.00506000000000000026	1.18000000000000005e-05	Moderately soluble	-4.82000000000000028	0.00647000000000000006	1.50000000000000004e-05	Moderately soluble	-3.33999999999999986	0.197000000000000008	0.00045899999999999999	Soluble	High	Yes	Yes	No	No	No	No	No	-6.19000000000000039	0	1	0	0	0	0.550000000000000044
2241	425.600000000000023	C27H39NO3	\N	\N	1	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C(=O)C2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C	31	0	0.810000000000000053	0	4	2	127.209999999999994	58.5600000000000023	3.89999999999999991	2.91000000000000014	3.79999999999999982	3.47999999999999998	3.64999999999999991	3.54999999999999982	-4.30999999999999961	0.0206999999999999997	4.86999999999999979e-05	Moderately soluble	-3.79999999999999982	0.0674000000000000016	0.000157999999999999992	Soluble	-4.66000000000000014	0.00924999999999999954	2.16999999999999989e-05	Moderately soluble	High	Yes	Yes	No	No	No	No	No	-6.83000000000000007	0	0	0	0	0	0.550000000000000044
2242	372.629999999999995	C25H44N2	\N	\N	1	CN([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)C	27	0	0.92000000000000004	3	2	0	118.629999999999995	6.48000000000000043	4.67999999999999972	5.79999999999999982	5.45000000000000018	5.00999999999999979	3.91999999999999993	4.96999999999999975	-5.61000000000000032	0.000922999999999999992	2.47999999999999997e-06	Moderately soluble	-5.70999999999999996	0.000733000000000000036	1.9700000000000002e-06	Moderately soluble	-4.54999999999999982	0.0106	2.83999999999999991e-05	Moderately soluble	Low	No	No	No	No	No	Yes	No	-4.45999999999999996	1	1	0	0	1	0.550000000000000044
2243	343.5	C22H33NO2	\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](OC2=O)C)C1)C	25	0	0.859999999999999987	1	3	1	100.390000000000001	38.3299999999999983	3.50999999999999979	3.91999999999999993	4.08000000000000007	4.20000000000000018	3.45999999999999996	3.83000000000000007	-4.37000000000000011	0.0145000000000000007	4.22999999999999982e-05	Moderately soluble	-4.41999999999999993	0.0129	3.77000000000000016e-05	Moderately soluble	-4.29999999999999982	0.0172999999999999994	5.02000000000000005e-05	Moderately soluble	High	Yes	No	No	No	No	No	No	-5.61000000000000032	1	0	0	0	0	0.550000000000000044
2244	793.940000000000055	C41H63NO14	\N	\N	1	CC[C@H](C(=O)O[C@H]1[C@H](O)[C@H]2[C@H]([C@H]3[C@]1(O)[C@@H]1[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4[C@]5([C@]1(C3)O[C@]4(O)[C@H](CC5)OC(=O)[C@](CC)(O)C)C)CN1[C@H]([C@@]2(C)O)CC[C@@H](C1)C)C	56	0	0.900000000000000022	12	15	5	203.180000000000007	218.819999999999993	5.16000000000000014	2.14000000000000012	1.22999999999999998	1.08000000000000007	1.60000000000000009	2.24000000000000021	-5.32000000000000028	0.00381000000000000002	4.79999999999999978e-06	Moderately soluble	-6.37000000000000011	0.000340999999999999995	4.2899999999999999e-07	Poorly soluble	-2.4700000000000002	2.7200000000000002	0.00341999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-9.61999999999999922	2	3	2	1	3	0.170000000000000012
2245	809.940000000000055	C41H63NO15	\N	\N	1	CC[C@H](C(=O)O[C@H]1[C@H](O)[C@H]2[C@H]([C@H]3[C@]1(O)[C@@H]1[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4[C@]5([C@]1(C3)O[C@]4(O)[C@H](CC5)OC(=O)[C@]([C@H](O)C)(O)C)C)CN1[C@H]([C@@]2(C)O)CC[C@@H](C1)C)C	57	0	0.900000000000000022	12	16	6	204.340000000000003	239.050000000000011	4.90000000000000036	0.989999999999999991	0.200000000000000011	0.340000000000000024	0.839999999999999969	1.44999999999999996	-4.69000000000000039	0.0164000000000000014	2.02999999999999988e-05	Moderately soluble	-5.59999999999999964	0.00204000000000000015	2.52000000000000001e-06	Moderately soluble	-1.51000000000000001	25.1000000000000014	0.0309999999999999998	Soluble	Low	No	Yes	No	No	No	No	No	-10.5399999999999991	3	3	2	1	4	0.170000000000000012
2246	525.629999999999995	C27H43NO9	\N	\N	1	C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]([C@]2(C)O)[C@@H](O)[C@@H]([C@@]2([C@H]1C[C@]13[C@H]2[C@H](O)[C@@H]([C@H]2[C@]3(C)CC[C@@H]([C@]2(O1)O)O)O)O)O	37	0	1	0	10	8	134.189999999999998	174.310000000000002	2.77000000000000002	-2.02000000000000002	-2.2200000000000002	-0.550000000000000044	-1.93999999999999995	-0.790000000000000036	-1.83000000000000007	7.83999999999999986	0.0149	Very soluble	-1.12000000000000011	40.2999999999999972	0.0766000000000000014	Very soluble	0.859999999999999987	3850	7.33000000000000007	Soluble	Low	No	No	No	No	No	No	No	-10.9399999999999995	2	4	1	1	3	0.170000000000000012
2247	432.680000000000007	C27H48N2O2	\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]([C@@H]2[C@@H]([C@H]1NC[C@@H](C[C@@H]1O)C)C)O)C)C	31	0	1	2	4	4	132.560000000000002	78.5100000000000051	4.25	4.75	3.56000000000000005	3.83000000000000007	2.89000000000000012	3.85000000000000009	-5.37999999999999989	0.00178999999999999992	4.14000000000000017e-06	Moderately soluble	-6.12999999999999989	0.000322000000000000021	7.43000000000000022e-07	Poorly soluble	-3.68999999999999995	0.0888000000000000039	0.000204999999999999996	Soluble	High	No	Yes	No	No	No	No	No	-5.57000000000000028	0	2	0	0	0	0.550000000000000044
2248	868.059999999999945	C45H73NO15	\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@]3(O4)CC[C@H](CN3)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	61	0	0.959999999999999964	7	16	9	222.050000000000011	238.47999999999999	5.25999999999999979	1.05000000000000004	0.429999999999999993	-0.729999999999999982	-1.19999999999999996	0.959999999999999964	-5.41999999999999993	0.00328999999999999996	3.79000000000000014e-06	Moderately soluble	-5.65000000000000036	0.00194999999999999991	2.24000000000000015e-06	Moderately soluble	-0.489999999999999991	283	0.327000000000000013	Soluble	Low	No	Yes	No	No	No	No	No	-10.8499999999999996	3	3	1	1	5	0.170000000000000012
2249	868.059999999999945	C45H73NO15	\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@H]3N4C[C@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	61	0	0.959999999999999964	8	16	9	222.189999999999998	240.689999999999998	5.30999999999999961	1.81000000000000005	-0.23000000000000001	-1.1399999999999999	-1.92999999999999994	0.770000000000000018	-5.83000000000000007	0.00127000000000000008	1.46e-06	Moderately soluble	-6.48000000000000043	0.000284999999999999989	3.28000000000000025e-07	Poorly soluble	0.75	4840	5.57000000000000028	Soluble	Low	No	Yes	No	No	No	No	No	-10.3100000000000005	3	3	1	1	5	0.170000000000000012
2251	413.639999999999986	C27H43NO2	\N	\N	1	C[C@@H]1CC[C@@]2(NC1)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	30	0	0.930000000000000049	0	3	2	127.230000000000004	41.490000000000002	4.32000000000000028	5.38999999999999968	4.91000000000000014	4.94000000000000039	3.9700000000000002	4.70999999999999996	-5.79999999999999982	0.000654999999999999983	1.57999999999999991e-06	Moderately soluble	-6.01999999999999957	0.000398999999999999995	9.65000000000000078e-07	Poorly soluble	-4.79999999999999982	0.0064999999999999997	1.56999999999999988e-05	Moderately soluble	High	Yes	Yes	No	No	No	No	No	-5	1	1	0	0	1	0.550000000000000044
2252	884.059999999999945	C45H73NO16	\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@]3(O4)CC[C@H](CN3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)O)O	62	0	0.959999999999999964	8	17	10	223.210000000000008	258.70999999999998	4.91000000000000014	1.1100000000000001	-0.589999999999999969	-1.45999999999999996	-1.80000000000000004	0.429999999999999993	-5.49000000000000021	0.00284000000000000008	3.22000000000000009e-06	Moderately soluble	-6.13999999999999968	0.000645999999999999981	7.30999999999999968e-07	Poorly soluble	0.100000000000000006	1110	1.25	Soluble	Low	No	Yes	No	No	No	No	No	-10.9000000000000004	3	4	1	1	5	0.170000000000000012
2253	363.579999999999984	C23H41NO2	\N	\N	1	O[C@H]1CC[C@]2([C@H]([C@@H]1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](N(C)C)C)C)C	26	0	1	2	3	2	108.920000000000002	43.7000000000000028	3.60000000000000009	4.74000000000000021	3.93000000000000016	3.85000000000000009	2.85999999999999988	3.79000000000000004	-4.95000000000000018	0.00408999999999999989	1.13000000000000002e-05	Moderately soluble	-5.38999999999999968	0.00149	4.09999999999999971e-06	Moderately soluble	-3.08000000000000007	0.301999999999999991	0.000830000000000000009	Soluble	High	Yes	Yes	No	No	No	No	No	-5.15000000000000036	0	0	0	0	0	0.550000000000000044
2254	415.649999999999977	C27H45NO2	\N	\N	1	C[C@H]1CC[C@]2(NC1)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	2	127.700000000000003	41.490000000000002	4.25	6.20999999999999996	4.99000000000000021	5.08000000000000007	3.99000000000000021	4.90000000000000036	-6.33000000000000007	0.000194999999999999996	4.68000000000000008e-07	Poorly soluble	-6.87000000000000011	5.64999999999999978e-05	1.36e-07	Poorly soluble	-4.82000000000000028	0.00628999999999999958	1.50999999999999994e-05	Moderately soluble	High	Yes	Yes	No	No	No	No	No	-4.42999999999999972	1	1	0	0	1	0.550000000000000044
2255	1034.19000000000005	C50H83NO21	\N	\N	1	OC[C@@H]1O[C@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@@]3(O2)CC[C@@H](CN3)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)O)O[C@H]1OC[C@@H]([C@H]([C@H]1O)O)O)O)O)O	72	0	1	11	22	13	251.27000000000001	337.860000000000014	4.62999999999999989	-0.650000000000000022	-3.08000000000000007	-3.68999999999999995	-4.01999999999999957	-1.3600000000000001	-5.12000000000000011	0.00791000000000000036	7.6499999999999996e-06	Moderately soluble	-5.96999999999999975	0.00110000000000000007	1.06999999999999992e-06	Moderately soluble	2.10999999999999988	132000	128	Soluble	Low	No	Yes	No	No	No	No	No	-13.0700000000000003	3	4	2	1	5	0.170000000000000012
2257	409.600000000000023	C27H39NO2	\N	\N	1	C[C@@H]1CN[C@H]([C@@H](C1)O)[C@H](c1ccc2c(c1C)C[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	30	6	0.699999999999999956	2	3	3	127.879999999999995	52.490000000000002	4.12000000000000011	4.33999999999999986	4.20999999999999996	4.24000000000000021	4.75999999999999979	4.33000000000000007	-5.12999999999999989	0.00304000000000000017	7.42000000000000011e-06	Moderately soluble	-5.16000000000000014	0.0028500000000000001	6.96000000000000028e-06	Moderately soluble	-5.59999999999999964	0.00102000000000000007	2.5000000000000002e-06	Moderately soluble	High	Yes	Yes	No	No	No	No	No	-5.71999999999999975	1	0	0	0	0	0.550000000000000044
2258	431.649999999999977	C27H45NO3	\N	\N	1	O[C@H]1CC[C@]2([C@H](C1)[C@@H](O)C[C@@H]1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1[C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)C	31	0	1	0	4	3	129.289999999999992	63.9299999999999997	3.85000000000000009	4.12999999999999989	3.29999999999999982	3.83000000000000007	2.16999999999999993	3.45000000000000018	-5.12000000000000011	0.00328999999999999996	7.61999999999999989e-06	Moderately soluble	-5.17999999999999972	0.00286000000000000013	6.62000000000000015e-06	Moderately soluble	-2.64000000000000012	0.983999999999999986	0.00227999999999999991	Soluble	High	Yes	Yes	No	No	No	No	No	-6	0	1	0	0	0	0.550000000000000044
2259	493.629999999999995	C27H43NO7	\N	\N	1	C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]([C@]2(C)O)[C@@H](O)[C@@H]([C@@]2([C@H]1C[C@]13[C@H]2CC[C@H]2[C@]3(C)CC[C@@H]([C@]2(O1)O)O)O)O	35	0	1	0	8	6	131.860000000000014	133.849999999999994	0.419999999999999984	-0.0700000000000000067	-0.170000000000000012	1	-0.160000000000000003	0.209999999999999992	-2.85999999999999988	0.687000000000000055	0.00138999999999999996	Soluble	-2.29000000000000004	2.54000000000000004	0.0051399999999999996	Soluble	-0.780000000000000027	81.4000000000000057	0.165000000000000008	Soluble	High	No	Yes	No	No	No	No	No	-9.35999999999999943	1	3	0	1	1	0.550000000000000044
2260	344.269999999999982	C17H12O8	\N	\N	1	COc1c(OC)cc2c3c1oc(=O)c1c3c(oc2=O)c(c(c1)O)OC	25	16	0.179999999999999993	3	8	1	88.7199999999999989	108.340000000000003	2.37000000000000011	2.08000000000000007	2.2200000000000002	0.890000000000000013	3.24000000000000021	2.16000000000000014	-3.56000000000000005	0.0947000000000000064	0.000275000000000000017	Soluble	-3.97999999999999998	0.0357000000000000026	0.000103999999999999994	Soluble	-5.42999999999999972	0.00127000000000000008	3.70000000000000015e-06	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-6.91999999999999993	0	0	0	0	0	0.550000000000000044
2261	316.480000000000018	C21H32O2	\N	\N	1	CCC/C=C/C/C=C/CCCCCCCc1cccc(c1O)O	23	6	0.520000000000000018	12	2	2	101.799999999999997	40.4600000000000009	4.34999999999999964	6.84999999999999964	6.28000000000000025	4.70000000000000018	6.37999999999999989	5.70999999999999996	-5.51999999999999957	0.000959	3.02999999999999979e-06	Moderately soluble	-7.50999999999999979	9.79999999999999934e-06	3.09999999999999997e-08	Poorly soluble	-5.83999999999999986	0.000453999999999999976	1.43999999999999998e-06	Moderately soluble	High	No	No	Yes	Yes	Yes	Yes	Yes	-3.37000000000000011	1	1	1	1	1	0.550000000000000044
2262	165.22999999999999	C10H15NO	\N	\N	1	CC(=O)C1=CCC[C@@H]2N[C@H]1CC2	12	0	0.699999999999999956	1	2	1	52.3999999999999986	29.1000000000000014	1.98999999999999999	0.839999999999999969	1.04000000000000004	1.27000000000000002	1.75	1.37999999999999989	-1.33000000000000007	7.76999999999999957	0.0470000000000000001	Very soluble	-1.03000000000000003	15.3000000000000007	0.0924999999999999989	Very soluble	-1.77000000000000002	2.83000000000000007	0.0171000000000000006	Soluble	High	Yes	No	No	No	No	No	No	-6.70999999999999996	0	0	0	0	1	0.550000000000000044
2264	271.350000000000023	C17H21NO2	\N	\N	1	CN1[C@@H]2CC[C@H]1C[C@@H](C2)OC(=O)C(=C)c1ccccc1	20	6	0.469999999999999973	4	3	0	83.6599999999999966	29.5399999999999991	3.29999999999999982	3.54999999999999982	2.49000000000000021	2.7799999999999998	2.66000000000000014	2.95999999999999996	-3.7200000000000002	0.0521000000000000005	0.000192000000000000005	Soluble	-3.85999999999999988	0.0379000000000000031	0.000139999999999999988	Soluble	-3.5	0.0850000000000000061	0.000313000000000000019	Soluble	High	Yes	No	No	No	No	Yes	No	-5.42999999999999972	0	0	0	0	0	0.550000000000000044
2265	285.339999999999975	C17H19NO3	\N	\N	1	CN1[C@@H]2C[C@@H](C[C@H]1[C@@H]1[C@H]2O1)OC(=O)C(=C)c1ccccc1	21	6	0.469999999999999973	4	4	0	82.6299999999999955	42.0700000000000003	3.06999999999999984	2.25999999999999979	1.46999999999999997	1.92999999999999994	2.12000000000000011	2.16999999999999993	-2.97999999999999998	0.298999999999999988	0.00104999999999999994	Soluble	-2.7799999999999998	0.473999999999999977	0.00166000000000000002	Soluble	-2.77000000000000002	0.482999999999999985	0.0016900000000000001	Soluble	High	Yes	No	No	No	No	Yes	No	-6.44000000000000039	0	0	0	0	0	0.550000000000000044
2266	542.710000000000036	C34H42N2O4	\N	\N	1	CN1[C@@H]2CC[C@H]1C[C@@H](C2)OC(=O)[C@H]1CC[C@](c2c1cccc2)(C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1	40	12	0.589999999999999969	7	6	0	162.509999999999991	59.0799999999999983	5.08000000000000007	5.96999999999999975	4.42999999999999972	4.37000000000000011	4.36000000000000032	4.83999999999999986	-6.73000000000000043	0.000101999999999999999	1.87999999999999989e-07	Poorly soluble	-6.99000000000000021	5.58999999999999967e-05	1.02999999999999996e-07	Poorly soluble	-6.87000000000000011	7.27000000000000053e-05	1.34000000000000009e-07	Poorly soluble	High	Yes	No	No	No	No	No	Yes	-5.37000000000000011	2	3	0	0	1	0.170000000000000012
2267	205.25	C12H15NO2	\N	\N	1	CN1[C@H]2CC[C@@H]1c1c(C2)occ(c1=O)C	15	6	0.57999999999999996	0	3	0	61.6899999999999977	33.4500000000000028	2.50999999999999979	0.979999999999999982	0.930000000000000049	0.770000000000000018	2.31000000000000005	1.5	-2.0299999999999998	1.92999999999999994	0.00941999999999999955	Soluble	-1.27000000000000002	11	0.0536000000000000018	Very soluble	-2.9700000000000002	0.219	0.00106999999999999999	Soluble	High	Yes	No	No	No	No	No	No	-6.86000000000000032	0	0	0	0	0	0.550000000000000044
2268	289.329999999999984	C16H19NO4	\N	\N	1	CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c1ccccc1)C(=O)O	21	6	0.5	4	5	1	80.5300000000000011	66.8400000000000034	2.29999999999999982	-0.309999999999999998	1.39999999999999991	1.93999999999999995	1.08000000000000007	1.28000000000000003	-1.3899999999999999	11.9000000000000004	0.0410999999999999976	Very soluble	-0.630000000000000004	67.2999999999999972	0.233000000000000013	Very soluble	-2.18999999999999995	1.85000000000000009	0.00638000000000000025	Soluble	High	Yes	No	No	No	No	No	No	-8.27999999999999936	0	0	0	0	0	0.550000000000000044
2269	245.319999999999993	C15H19NO2	\N	\N	1	CN1[C@@H]2CC[C@H]1C[C@@H](C2)OC(=O)c1ccccc1	18	6	0.530000000000000027	3	3	0	73.9500000000000028	29.5399999999999991	3.0299999999999998	2.99000000000000021	2.08999999999999986	2.64999999999999991	2.08000000000000007	2.56999999999999984	-3.29000000000000004	0.125	0.000509000000000000012	Soluble	-3.27000000000000002	0.130000000000000004	0.000532000000000000029	Soluble	-3.06000000000000005	0.211999999999999994	0.000864999999999999992	Soluble	High	Yes	No	No	No	No	Yes	No	-5.66999999999999993	0	0	0	0	0	0.550000000000000044
2271	159.180000000000007	C7H13NO3	\N	\N	1	O[C@@H]1C[C@H]2CC[C@@]([C@@H]1O)(N2)O	11	0	1	0	4	4	41.7800000000000011	72.7199999999999989	0.699999999999999956	-1.45999999999999996	-1.83000000000000007	-0.760000000000000009	-0.699999999999999956	-0.810000000000000053	0.0899999999999999967	197	1.23999999999999999	Highly soluble	0.440000000000000002	435	2.72999999999999998	Highly soluble	0.569999999999999951	590	3.70999999999999996	Soluble	High	No	Yes	No	No	No	No	No	-8.3100000000000005	0	2	0	0	1	0.550000000000000044
2273	261.319999999999993	C15H19NO3	\N	\N	1	CN1[C@@H]2CC[C@H]1C[C@@H](C2)OC(=O)c1cccc(c1)O	19	6	0.530000000000000027	3	4	1	75.980000000000004	49.7700000000000031	2.66000000000000014	2.62999999999999989	1.79000000000000004	2.06000000000000005	1.59000000000000008	2.14999999999999991	-3.14999999999999991	0.183999999999999997	0.000702999999999999957	Soluble	-3.33000000000000007	0.122999999999999998	0.000473000000000000005	Soluble	-2.47999999999999998	0.854999999999999982	0.0032699999999999999	Soluble	High	Yes	No	No	No	No	Yes	No	-6.03000000000000025	0	0	0	0	0	0.550000000000000044
2274	305.370000000000005	C17H23NO4	\N	\N	1	COc1cc(ccc1OC)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C	22	6	0.589999999999999969	5	5	0	86.9399999999999977	48	3.49000000000000021	3.14999999999999991	2.10000000000000009	1.98999999999999999	2.14999999999999991	2.58000000000000007	-3.58999999999999986	0.0786000000000000032	0.000257000000000000013	Soluble	-3.83000000000000007	0.0454000000000000029	0.00014899999999999999	Soluble	-3.29999999999999982	0.152999999999999997	0.000501000000000000035	Soluble	High	Yes	No	No	No	No	Yes	No	-5.92999999999999972	0	0	0	0	0	0.550000000000000044
2275	291.339999999999975	C16H21NO4	\N	\N	1	COc1cc(ccc1OC)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2	21	6	0.560000000000000053	5	5	1	82.0400000000000063	56.7899999999999991	3.12999999999999989	2.68000000000000016	1.76000000000000001	1.75	2.20999999999999996	2.31000000000000005	-3.2200000000000002	0.176999999999999991	0.000608000000000000033	Soluble	-3.52000000000000002	0.086999999999999994	0.000299000000000000004	Soluble	-3.62999999999999989	0.0676999999999999963	0.000232000000000000001	Soluble	High	Yes	No	No	No	No	Yes	No	-6.16999999999999993	0	0	0	0	0	0.550000000000000044
2276	219.280000000000001	C13H17NO2	\N	\N	1	CN1[C@@H]2CC[C@H]1c1c(C2)oc(c(c1=O)C)C	16	6	0.619999999999999996	0	3	0	66.6500000000000057	33.4500000000000028	2.72999999999999998	1.35000000000000009	1.23999999999999999	1.05000000000000004	2.79000000000000004	1.83000000000000007	-2.33000000000000007	1.03000000000000003	0.00470000000000000018	Soluble	-1.64999999999999991	4.86000000000000032	0.022200000000000001	Very soluble	-3.35999999999999988	0.0955000000000000016	0.000436000000000000027	Soluble	High	Yes	No	No	No	No	Yes	No	-6.67999999999999972	0	0	0	0	0	0.550000000000000044
2278	289.370000000000005	C17H23NO3	\N	\N	1	CC(=O)O[C@@H]1C[C@H]2CC[C@@H]([C@@H]1[C@@H](c1ccccc1)O)N2C	21	6	0.589999999999999969	4	4	1	84.5100000000000051	49.7700000000000031	2.24000000000000021	2.06999999999999984	1.42999999999999994	2.02000000000000002	1.75	1.89999999999999991	-2.89000000000000012	0.377000000000000002	0.00129999999999999994	Soluble	-2.74000000000000021	0.521000000000000019	0.00179999999999999995	Soluble	-2.68000000000000016	0.60299999999999998	0.00207999999999999982	Soluble	High	Yes	No	No	No	No	Yes	No	-6.59999999999999964	0	0	0	0	0	0.550000000000000044
2279	289.370000000000005	C17H23NO3	\N	\N	1	O[C@@H](C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C)Cc1ccccc1	21	6	0.589999999999999969	5	4	1	84.5100000000000051	49.7700000000000031	2.95000000000000018	2.66999999999999993	1.37999999999999989	2.02000000000000002	2.0299999999999998	2.20999999999999996	-3.20000000000000018	0.183999999999999997	0.000634000000000000015	Soluble	-3.37000000000000011	0.123999999999999999	0.000429999999999999989	Soluble	-2.93000000000000016	0.341000000000000025	0.00118000000000000006	Soluble	High	Yes	No	No	No	No	Yes	No	-6.16999999999999993	0	0	0	0	0	0.550000000000000044
2280	255.310000000000002	C13H21NO4	\N	\N	1	C/C=C(/C(=O)O[C@@H]1C[C@H]2[C@@H]([C@@H]([C@@H](C1)N2C)O)O)\\C	18	0	0.770000000000000018	3	5	2	70.3199999999999932	70	2.35999999999999988	0.57999999999999996	-0.320000000000000007	0.359999999999999987	-0.100000000000000006	0.57999999999999996	-1.59000000000000008	6.55999999999999961	0.0257000000000000006	Very soluble	-1.62000000000000011	6.08000000000000007	0.0238000000000000017	Very soluble	0.200000000000000011	406	1.59000000000000008	Soluble	High	No	No	No	No	No	No	No	-7.45000000000000018	0	0	0	0	0	0.550000000000000044
2281	275.339999999999975	C16H21NO3	\N	\N	1	OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2	20	6	0.560000000000000053	5	4	2	79.6099999999999994	58.5600000000000023	2.75	1.3600000000000001	1.20999999999999996	1.78000000000000003	2.10000000000000009	1.84000000000000008	-2.29999999999999982	1.3899999999999999	0.00506000000000000026	Soluble	-2.18999999999999995	1.77000000000000002	0.00642000000000000036	Soluble	-3.25999999999999979	0.149999999999999994	0.000546000000000000044	Soluble	High	Yes	No	No	No	No	Yes	No	-7.00999999999999979	0	0	0	0	0	0.550000000000000044
2282	291.339999999999975	C16H21NO4	\N	\N	1	COc1cc(ccc1O)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C	21	6	0.560000000000000053	4	5	1	82.4699999999999989	59	3.18000000000000016	2.9700000000000002	1.80000000000000004	1.75	1.62000000000000011	2.25999999999999979	-3.45999999999999996	0.0999000000000000027	0.000342999999999999989	Soluble	-3.87000000000000011	0.0391000000000000028	0.000134000000000000005	Soluble	-2.60000000000000009	0.72699999999999998	0.00249000000000000003	Soluble	High	Yes	No	No	No	No	Yes	No	-5.96999999999999975	0	0	0	0	0	0.550000000000000044
2283	141.210000000000008	C8H15NO	\N	\N	1	CN1[C@@H]2CCC[C@@]1(O)CC2	10	0	1	0	2	1	44.3500000000000014	23.4699999999999989	1.78000000000000003	0.959999999999999964	0.569999999999999951	1.31000000000000005	1	1.12000000000000011	-1.32000000000000006	6.75	0.0478000000000000022	Very soluble	-1.04000000000000004	12.9000000000000004	0.0911000000000000004	Very soluble	-0.699999999999999956	28.1999999999999993	0.200000000000000011	Soluble	High	No	No	No	No	No	No	No	-6.48000000000000043	0	1	0	0	1	0.550000000000000044
2285	155.189999999999998	C8H13NO2	\N	\N	1	CN1[C@H]2C[C@H]3C[C@@H]1[C@@H]([C@H]2O)O3	11	0	1	0	3	1	43.2899999999999991	32.7000000000000028	1.81000000000000005	-0.200000000000000011	-0.790000000000000036	0.0200000000000000004	-0.149999999999999994	0.140000000000000013	-0.680000000000000049	32.7000000000000028	0.210999999999999993	Very soluble	-0.0299999999999999989	145	0.932000000000000051	Very soluble	0.469999999999999973	454	2.91999999999999993	Soluble	Low	No	No	No	No	No	No	No	-7.38999999999999968	0	2	0	0	1	0.550000000000000044
2286	269.339999999999975	C17H19NO2	\N	\N	1	O=C1C[C@H](OC2=C1[C@@H]1CC[C@H](C2)N1C)c1ccccc1	20	6	0.469999999999999973	1	3	0	80.7600000000000051	29.5399999999999991	2.85999999999999988	1.95999999999999996	2.12999999999999989	1.96999999999999997	2.64999999999999991	2.31999999999999984	-2.89999999999999991	0.339000000000000024	0.00126000000000000005	Soluble	-2.20999999999999996	1.67999999999999994	0.00623000000000000029	Soluble	-3.79999999999999982	0.0429000000000000006	0.000158999999999999989	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.54999999999999982	0	0	0	0	0	0.560000000000000053
2287	223.310000000000002	C13H21NO2	\N	\N	1	C/C=C(/C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2C)\\C	16	0	0.770000000000000018	3	3	0	68	29.5399999999999991	3.08999999999999986	2.5299999999999998	1.73999999999999999	2.04000000000000004	1.65999999999999992	2.20999999999999996	-2.62000000000000011	0.535000000000000031	0.00239999999999999979	Soluble	-2.79999999999999982	0.355999999999999983	0.00160000000000000008	Soluble	-1.40999999999999992	8.65000000000000036	0.0386999999999999983	Soluble	High	Yes	No	No	No	No	No	No	-5.87000000000000011	0	0	0	0	0	0.550000000000000044
2288	241.330000000000013	C13H23NO3	\N	\N	1	CC(CC(=O)O[C@@H]1C[C@H]2C[C@H]([C@@H](C1)N2C)O)C	17	0	0.92000000000000004	4	4	1	69.6299999999999955	49.7700000000000031	2.45999999999999996	1.62000000000000011	0.790000000000000036	1.30000000000000004	0.939999999999999947	1.41999999999999993	-2.08999999999999986	1.94999999999999996	0.00808000000000000038	Soluble	-2.2799999999999998	1.27000000000000002	0.00527999999999999997	Soluble	-0.969999999999999973	25.8999999999999986	0.106999999999999998	Soluble	High	Yes	No	No	No	No	No	No	-6.62000000000000011	0	0	0	0	0	0.550000000000000044
2289	586.539999999999964	C29H30O13	\N	\N	1	OC[C@H]1O[C@@H](OC(=O)c2c(COC(=O)C)cc3c(c2c2ccc4c(c2)OCO4)cc(c(c3)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O	42	16	0.380000000000000004	10	13	4	143.22999999999999	179.669999999999987	3.56999999999999984	1.95999999999999996	1.12000000000000011	0	2.24000000000000021	1.78000000000000003	-4.33000000000000007	0.0271999999999999985	4.6400000000000003e-05	Moderately soluble	-5.36000000000000032	0.0025699999999999998	4.38000000000000042e-06	Moderately soluble	-4.57000000000000028	0.0159000000000000009	2.72000000000000005e-05	Moderately soluble	Low	No	No	No	No	No	No	Yes	-8.49000000000000021	2	3	1	1	2	0.170000000000000012
2290	414.410000000000025	C22H22O8	\N	\N	1	COc1cc(cc(c1OC)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O	30	12	0.409999999999999976	4	8	1	103.849999999999994	92.6800000000000068	3.20000000000000018	2.00999999999999979	2.08000000000000007	1.42999999999999994	2.89999999999999991	2.31999999999999984	-3.70999999999999996	0.0811999999999999944	0.000195999999999999994	Soluble	-3.58000000000000007	0.107999999999999999	0.000261000000000000002	Soluble	-4.75	0.00734000000000000017	1.76999999999999999e-05	Moderately soluble	High	No	No	No	No	No	Yes	Yes	-7.40000000000000036	0	0	0	0	0	0.550000000000000044
2292	414.410000000000025	C22H22O8	\N	\N	1	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O	30	12	0.409999999999999976	4	8	1	103.849999999999994	92.6800000000000068	3.25	2.00999999999999979	2.08000000000000007	1.42999999999999994	2.89999999999999991	2.33000000000000007	-3.70999999999999996	0.0811999999999999944	0.000195999999999999994	Soluble	-3.58000000000000007	0.107999999999999999	0.000261000000000000002	Soluble	-4.75	0.00734000000000000017	1.76999999999999999e-05	Moderately soluble	High	No	No	No	No	No	Yes	Yes	-7.40000000000000036	0	0	0	0	0	0.550000000000000044
2293	412.389999999999986	C22H20O8	\N	\N	1	COc1cc(cc(c1OC)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2C(=O)c2c1cc1OCOc1c2	30	12	0.359999999999999987	4	8	0	103.109999999999999	89.519999999999996	3.12000000000000011	2.50999999999999979	2.56000000000000005	1.35000000000000009	3.49000000000000021	2.60999999999999988	-4.00999999999999979	0.0403000000000000025	9.77000000000000031e-05	Moderately soluble	-4.04000000000000004	0.0379999999999999991	9.21000000000000025e-05	Moderately soluble	-5.45000000000000018	0.00146999999999999995	3.5599999999999998e-06	Moderately soluble	High	No	No	No	No	Yes	Yes	Yes	-7.03000000000000025	0	0	0	0	0	0.550000000000000044
2294	578.559999999999945	C28H34O13	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]([C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)c2cc(OC)c(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O	41	12	0.540000000000000036	10	13	4	138.189999999999998	171.830000000000013	2.29999999999999982	1.05000000000000004	0.0100000000000000002	-0.739999999999999991	1.46999999999999997	0.819999999999999951	-3.64999999999999991	0.131000000000000005	0.000225999999999999991	Soluble	-4.25	0.032599999999999997	5.62999999999999997e-05	Moderately soluble	-3.33000000000000007	0.271000000000000019	0.000469000000000000016	Soluble	Low	No	Yes	No	No	No	No	Yes	-9.08000000000000007	2	3	1	1	2	0.170000000000000012
2295	394.329999999999984	C21H14O8	\N	\N	1	COc1c2OCOc2cc2c1cc1C(=O)OCc1c2c1cc2OCOc2cc1O	29	16	0.190000000000000002	2	8	1	99.3499999999999943	92.6800000000000068	3.12000000000000011	3.4700000000000002	3.20000000000000018	1.95999999999999996	3.95000000000000018	3.14000000000000012	-4.75	0.0070600000000000003	1.79000000000000014e-05	Moderately soluble	-5.09999999999999964	0.00314	7.96999999999999993e-06	Moderately soluble	-5.75999999999999979	0.000692000000000000015	1.74999999999999997e-06	Moderately soluble	High	No	No	Yes	Yes	Yes	Yes	Yes	-6.24000000000000021	0	0	0	0	0	0.550000000000000044
2296	282.329999999999984	C18H18O3	\N	\N	1	C=CCc1ccc(c(c1)c1cc(/C=C/CO)ccc1O)O	21	12	0.110000000000000001	5	3	3	86.0900000000000034	60.6899999999999977	3.35000000000000009	3.66999999999999993	3.39000000000000012	2.89999999999999991	4.20999999999999996	3.5	-4	0.028500000000000001	0.000101000000000000002	Soluble	-4.62999999999999989	0.00655999999999999986	2.32000000000000015e-05	Moderately soluble	-4.53000000000000025	0.00829000000000000049	2.93999999999999997e-05	Moderately soluble	High	Yes	No	Yes	No	Yes	Yes	Yes	-5.41999999999999993	0	0	0	0	0	0.550000000000000044
2297	372.449999999999989	C22H28O5	\N	\N	1	COc1cc(ccc1OC)[C@@H]1O[C@H]([C@H]([C@@H]1C)C)c1ccc(c(c1)OC)OC	27	12	0.450000000000000011	6	5	0	104.870000000000005	46.1499999999999986	3.91000000000000014	4.37999999999999989	4.16000000000000014	2.41999999999999993	4.26999999999999957	3.83000000000000007	-4.83999999999999986	0.00536000000000000018	1.43999999999999993e-05	Moderately soluble	-5.07000000000000028	0.00320000000000000015	8.60000000000000067e-06	Moderately soluble	-6.07000000000000028	0.000315999999999999983	8.49000000000000045e-07	Poorly soluble	High	Yes	No	No	No	No	Yes	No	-5.45999999999999996	0	0	0	0	0	0.550000000000000044
2298	352.339999999999975	C20H16O6	\N	\N	1	O=C1OC[C@@H](/C/1=C\\c1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2	26	12	0.25	3	6	0	91.5400000000000063	63.2199999999999989	2.85999999999999988	3.62000000000000011	2.83000000000000007	2.62999999999999989	4.13999999999999968	3.2200000000000002	-4.45000000000000018	0.0125000000000000007	3.5599999999999998e-05	Moderately soluble	-4.63999999999999968	0.00816000000000000059	2.32000000000000015e-05	Moderately soluble	-5.32000000000000028	0.00168000000000000007	4.76000000000000017e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.87999999999999989	0	0	0	0	0	0.550000000000000044
2300	354.350000000000023	C20H18O6	\N	\N	1	C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2	26	12	0.400000000000000022	2	6	0	90	55.3800000000000026	3.45999999999999996	2.68000000000000016	2.56999999999999984	1.97999999999999998	3.25	2.79000000000000004	-3.93000000000000016	0.0412000000000000005	0.000116000000000000001	Soluble	-3.5	0.113000000000000003	0.000320000000000000026	Soluble	-4.59999999999999964	0.00898000000000000013	2.54000000000000008e-05	Moderately soluble	High	Yes	No	No	Yes	No	Yes	Yes	-6.55999999999999961	0	0	0	0	0	0.550000000000000044
2301	372.370000000000005	C20H20O7	\N	\N	1	COc1cc(ccc1O)O[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2	27	12	0.400000000000000022	4	7	1	93.980000000000004	75.6099999999999994	3.54000000000000004	2.7799999999999998	2.54000000000000004	1.44999999999999996	2.47999999999999998	2.56000000000000005	-3.95999999999999996	0.0403999999999999984	0.000107999999999999996	Soluble	-4.01999999999999957	0.0352000000000000021	9.46999999999999979e-05	Moderately soluble	-4.12000000000000011	0.0280000000000000006	7.51999999999999983e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	No	-6.59999999999999964	0	0	0	0	0	0.550000000000000044
2302	430.449999999999989	C23H26O8	\N	\N	1	COc1cc(cc(c1OC)OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c2c(c1)OCO2	31	12	0.479999999999999982	6	8	0	109.900000000000006	73.8400000000000034	4.04999999999999982	2.75	2.87999999999999989	1.17999999999999994	3.58999999999999986	2.89000000000000012	-4.12999999999999989	0.0318000000000000019	7.38000000000000049e-05	Moderately soluble	-3.95999999999999996	0.0476999999999999993	0.000111000000000000001	Soluble	-5.29000000000000004	0.00220000000000000013	5.1100000000000002e-06	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-6.96999999999999975	0	0	0	0	0	0.550000000000000044
2303	518.509999999999991	C26H30O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc(cc2OC)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)[C@@H]([C@H]([C@@H]1O)O)O	37	12	0.540000000000000036	6	11	4	124.569999999999993	145.530000000000001	3.39999999999999991	0.680000000000000049	0.0299999999999999989	-0.640000000000000013	0.760000000000000009	0.849999999999999978	-3.33000000000000007	0.243999999999999995	0.00047100000000000001	Soluble	-3.31000000000000005	0.252000000000000002	0.000485999999999999995	Soluble	-2.64000000000000012	1.19999999999999996	0.00230999999999999999	Soluble	Low	No	Yes	No	No	No	Yes	No	-8.98000000000000043	2	1	1	1	1	0.170000000000000012
2304	456.439999999999998	C24H24O9	\N	\N	1	COc1cc2C[C@H]3C(=O)OC[C@@H]3[C@H](c3c(c2c(c1OC)OC)cc1OCOc1c3)OC(=O)C	33	12	0.419999999999999984	5	9	0	114.530000000000001	98.75	3.31999999999999984	2.91999999999999993	2.72999999999999998	1.81000000000000005	3.56000000000000005	2.87000000000000011	-4.45000000000000018	0.0161999999999999991	3.5599999999999998e-05	Moderately soluble	-4.66000000000000014	0.0100999999999999996	2.20999999999999985e-05	Moderately soluble	-5.58999999999999986	0.00116000000000000001	2.55000000000000015e-06	Moderately soluble	High	No	No	No	No	Yes	Yes	Yes	-7.00999999999999979	0	0	0	0	0	0.550000000000000044
2305	370.350000000000023	C20H18O7	\N	\N	1	COc1cc(ccc1O)[C@@H]1OC[C@@H]2[C@H]1C(=O)O[C@H]2c1ccc2c(c1)OCO2	27	12	0.349999999999999978	3	7	1	92.6500000000000057	83.4500000000000028	3.06000000000000005	2.22999999999999998	2.08000000000000007	1.5	2.64000000000000012	2.29999999999999982	-3.66999999999999993	0.078799999999999995	0.000213	Soluble	-3.62000000000000011	0.0893000000000000044	0.000241000000000000003	Soluble	-4.26999999999999957	0.0196999999999999988	5.31999999999999989e-05	Moderately soluble	High	No	No	No	No	No	Yes	Yes	-6.98000000000000043	0	0	0	0	0	0.550000000000000044
2306	388.449999999999989	C22H28O6	\N	\N	1	C/C=C/c1ccc(c(c1)OC)O[C@@H]([C@@H](c1cc(OC)c(c(c1)OC)OC)O)C	28	12	0.359999999999999987	9	6	1	109.060000000000002	66.3799999999999955	4.41999999999999993	4.05999999999999961	3.81999999999999984	2.18999999999999995	4.55999999999999961	3.81000000000000005	-4.53000000000000025	0.0114999999999999998	2.96000000000000012e-05	Moderately soluble	-5.16000000000000014	0.00270000000000000014	6.95000000000000037e-06	Moderately soluble	-5.48000000000000043	0.00127000000000000008	3.27999999999999994e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	Yes	-5.79000000000000004	0	0	0	0	0	0.550000000000000044
2308	580.580000000000041	C28H36O13	\N	\N	1	OC[C@H]1O[C@@H](Oc2c(OC)cc(cc2OC)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O	41	12	0.569999999999999951	9	13	5	140.009999999999991	174.990000000000009	3.70000000000000018	0.419999999999999984	0.0299999999999999989	-1.6100000000000001	0.689999999999999947	0.650000000000000022	-3.33000000000000007	0.274000000000000021	0.00047100000000000001	Soluble	-3.66000000000000014	0.126000000000000001	0.000218000000000000013	Soluble	-2.62000000000000011	1.40999999999999992	0.00242999999999999987	Soluble	Low	No	Yes	No	No	No	No	No	-9.53999999999999915	2	3	1	1	2	0.170000000000000012
2309	388.410000000000025	C21H24O7	\N	\N	1	COc1cc(ccc1OC)C[C@H]1COC(=O)[C@]1(O)Cc1ccc(c(c1)OC)O	28	12	0.380000000000000004	7	7	2	101.799999999999997	94.4500000000000028	3.06000000000000005	2.81999999999999984	2.10999999999999988	1.32000000000000006	3.5	2.56000000000000005	-3.87999999999999989	0.0512000000000000025	0.00013200000000000001	Soluble	-4.45999999999999996	0.0134000000000000005	3.46000000000000008e-05	Moderately soluble	-5.37999999999999989	0.00160000000000000008	4.12000000000000036e-06	Moderately soluble	High	No	Yes	No	No	No	Yes	Yes	-6.66999999999999993	0	0	0	0	0	0.550000000000000044
2310	372.449999999999989	C22H28O5	\N	\N	1	COc1cc(ccc1OC)[C@@H]1O[C@@H]([C@H]([C@@H]1C)C)c1ccc(c(c1)OC)OC	27	12	0.450000000000000011	6	5	0	104.870000000000005	46.1499999999999986	3.68000000000000016	4.37999999999999989	4.16000000000000014	2.41999999999999993	4.26999999999999957	3.7799999999999998	-4.83999999999999986	0.00536000000000000018	1.43999999999999993e-05	Moderately soluble	-5.07000000000000028	0.00320000000000000015	8.60000000000000067e-06	Moderately soluble	-6.07000000000000028	0.000315999999999999983	8.49000000000000045e-07	Poorly soluble	High	Yes	No	No	No	No	Yes	No	-5.45999999999999996	0	0	0	0	0	0.550000000000000044
2311	384.420000000000016	C22H24O6	\N	\N	1	COc1c2c(C[C@H](C)[C@@H](Cc3c2c(OC)c2c(c3)OCO2)C)cc2c1OCO2	28	12	0.450000000000000011	2	6	0	104.030000000000001	55.3800000000000026	3.79000000000000004	5	4.20000000000000018	2.95999999999999996	4.62000000000000011	4.11000000000000032	-5.55999999999999961	0.00105999999999999996	2.75999999999999983e-06	Moderately soluble	-5.90000000000000036	0.000480999999999999982	1.2500000000000001e-06	Moderately soluble	-6.03000000000000025	0.00035599999999999998	9.26999999999999976e-07	Poorly soluble	High	Yes	No	Yes	Yes	Yes	Yes	No	-5.08999999999999986	0	0	0	0	0	0.550000000000000044
2312	446.490000000000009	C24H30O8	\N	\N	1	COc1cc(cc(c1OC)OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(c(c1)OC)OC	32	12	0.5	8	8	0	116.819999999999993	73.8400000000000034	4.29999999999999982	2.87999999999999989	3.16000000000000014	0.979999999999999982	3.87000000000000011	3.04000000000000004	-4.16999999999999993	0.0299999999999999989	6.7299999999999996e-05	Moderately soluble	-4.08999999999999986	0.0362999999999999989	8.11999999999999951e-05	Moderately soluble	-5.78000000000000025	0.000743999999999999978	1.6700000000000001e-06	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-6.98000000000000043	0	0	0	0	0	0.550000000000000044
2313	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	3.41000000000000014	2.7200000000000002	2.47999999999999998	1.80000000000000004	2.83000000000000007	2.64999999999999991	-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
2315	720.710000000000036	C35H44O16	\N	\N	1	C/C=C(/C(=O)O[C@H]1C[C@@H](OC(=O)C)[C@@]2([C@H]3[C@@]41CO[C@]([C@H]4[C@@](C)([C@@H]([C@@H]3OC2)O)[C@@]12O[C@@]2(C)[C@H]2C[C@@H]1O[C@H]1[C@]2(O)C=CO1)(O)C(=O)OC)C(=O)OC)\\C	51	0	0.770000000000000018	10	16	3	165.919999999999987	215.340000000000003	2.89999999999999991	1.09000000000000008	-0.200000000000000011	-0.469999999999999973	1.07000000000000006	0.880000000000000004	-4.33999999999999986	0.0333000000000000032	4.61999999999999981e-05	Moderately soluble	-5.20000000000000018	0.00449999999999999966	6.2500000000000003e-06	Moderately soluble	-1.39999999999999991	28.6000000000000014	0.0396999999999999992	Soluble	Low	No	Yes	No	No	No	No	No	-9.91999999999999993	2	3	1	1	4	0.170000000000000012
2316	480.680000000000007	C28H48O6	\N	\N	1	O[C@H]([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2COC(=O)[C@@H]2[C@]1(C)C[C@@H](O)[C@H](C2)O)C)[C@@H]([C@@H](C(C)C)C)O	34	0	0.959999999999999964	5	6	4	133.669999999999987	107.219999999999999	2.81999999999999984	4.83999999999999986	3.39000000000000012	3.04999999999999982	3.50999999999999979	3.52000000000000002	-5.54000000000000004	0.00138999999999999996	2.88999999999999986e-06	Moderately soluble	-6.83000000000000007	7.18999999999999994e-05	1.49999999999999993e-07	Poorly soluble	-2.70000000000000018	0.96599999999999997	0.00201000000000000007	Soluble	High	No	Yes	No	No	No	No	No	-5.79999999999999982	0	3	0	0	0	0.550000000000000044
2317	496.680000000000007	C28H48O7	\N	\N	1	O[C@H]([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2COC(=O)[C@@H]2[C@]1(C)C[C@@H](O)[C@H](C2)O)C)[C@@H]([C@@H](C(O)(C)C)C)O	35	0	0.959999999999999964	5	7	5	134.870000000000005	127.450000000000003	3.49000000000000021	3.43999999999999995	2.5	2.25	2.75999999999999979	2.89000000000000012	-4.75999999999999979	0.0086999999999999994	1.74999999999999985e-05	Moderately soluble	-5.79999999999999982	0.000791999999999999952	1.59000000000000002e-06	Moderately soluble	-2.10000000000000009	3.89999999999999991	0.00784999999999999934	Soluble	High	No	Yes	No	No	No	No	No	-6.88999999999999968	0	3	0	0	0	0.550000000000000044
2318	594.700000000000045	C36H38N2O6	\N	\N	1	COc1cc2CCN([C@@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(c(c2)Oc2ccc(C3)cc2)O)C)cc(c1O)OC)C	44	24	0.330000000000000016	2	8	2	177.139999999999986	83.8599999999999994	4.71999999999999975	6.00999999999999979	5.15000000000000036	3.37000000000000011	4.95000000000000018	4.83999999999999986	-7.58999999999999986	1.55000000000000007e-05	2.60000000000000012e-08	Poorly soluble	-7.54999999999999982	1.67999999999999984e-05	2.82999999999999986e-08	Poorly soluble	-9.4399999999999995	2.16999999999999998e-07	3.65999999999999977e-10	Poorly soluble	High	No	No	No	No	No	No	No	-5.66000000000000014	1	3	0	0	1	0.550000000000000044
2319	371.430000000000007	C21H25NO5	\N	\N	1	CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC	27	13	0.380000000000000004	5	6	1	104.349999999999994	66.019999999999996	3.41000000000000014	1.37000000000000011	2.62999999999999989	1.27000000000000002	3.95000000000000018	2.5299999999999998	-3.0299999999999998	0.344999999999999973	0.000928000000000000005	Soluble	-2.35999999999999988	1.62000000000000011	0.00436999999999999975	Soluble	-6.73000000000000043	6.87000000000000029e-05	1.85000000000000002e-07	Poorly soluble	High	Yes	Yes	No	No	No	Yes	Yes	-7.58999999999999986	0	0	0	0	0	0.550000000000000044
2320	238.240000000000009	C15H10O3	\N	\N	1	Oc1ccc2c(c1)oc(cc2=O)c1ccccc1	18	16	0	1	3	1	69.9399999999999977	50.4399999999999977	2.2200000000000002	3.62000000000000011	3.16999999999999993	1.65999999999999992	3.52000000000000002	2.83999999999999986	-4.19000000000000039	0.0154000000000000005	6.45999999999999981e-05	Moderately soluble	-4.37000000000000011	0.0102000000000000007	4.30000000000000017e-05	Moderately soluble	-5.55999999999999961	0.000656000000000000008	2.74999999999999993e-06	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	Yes	-5.17999999999999972	0	0	0	0	0	0.550000000000000044
2321	322.350000000000023	C20H18O4	\N	\N	1	CC(=CCc1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O)C	24	16	0.149999999999999994	3	4	2	95.6899999999999977	70.6700000000000017	3.10000000000000009	5.45000000000000018	4.37999999999999989	2.20000000000000018	4.69000000000000039	3.95999999999999996	-5.57000000000000028	0.00087299999999999997	2.70999999999999989e-06	Moderately soluble	-6.69000000000000039	6.56999999999999978e-05	2.04e-07	Poorly soluble	-6.21999999999999975	0.000192000000000000005	5.9599999999999999e-07	Poorly soluble	High	Yes	No	No	Yes	Yes	No	No	-4.40000000000000036	0	0	0	0	1	0.550000000000000044
2322	196.289999999999992	C12H20O2	\N	\N	1	CC(=O)O[C@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C	14	0	0.92000000000000004	2	2	0	56.3299999999999983	26.3000000000000007	2.52000000000000002	4.29999999999999982	2.75999999999999979	2.75999999999999979	2.66000000000000014	3	-3.62999999999999989	0.0456000000000000016	0.000232000000000000001	Soluble	-4.57000000000000028	0.00534000000000000013	2.72000000000000005e-05	Moderately soluble	-2.58000000000000007	0.520000000000000018	0.00265000000000000001	Soluble	High	Yes	No	No	No	Yes	No	No	-4.44000000000000039	0	0	0	0	1	0.550000000000000044
2324	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	3.66999999999999993	4.41999999999999993	6.36000000000000032	2.93000000000000016	4	4.26999999999999957	-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
2325	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
2326	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	2.77000000000000002	0.780000000000000027	0.859999999999999987	1.34000000000000008	2.43999999999999995	1.6399999999999999	-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
2327	141.210000000000008	C8H15NO	\N	\N	1	CC(=O)C[C@@H]1CCCN1C	10	0	0.880000000000000004	2	2	0	45.4699999999999989	20.3099999999999987	2.08999999999999986	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
2328	148.199999999999989	C9H12N2	\N	\N	1	C1CN[C@H](C1)c1cccnc1	11	6	0.440000000000000002	1	2	1	48.2299999999999969	24.9200000000000017	1.84000000000000008	0.170000000000000012	0.800000000000000044	0.869999999999999996	2.04000000000000004	1.1399999999999999	-1.19999999999999996	9.26999999999999957	0.0626000000000000029	Very soluble	-0.25	83.2000000000000028	0.561000000000000054	Very soluble	-2.93000000000000016	0.172999999999999987	0.00116000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-7.08000000000000007	0	1	0	0	1	0.550000000000000044
2329	294.389999999999986	C19H22N2O	\N	\N	1	C=C[C@H]1CN2CC[C@@H]1C[C@H]2[C@@H](c1ccnc2c1cccc2)O	22	10	0.419999999999999984	3	3	1	93.2399999999999949	36.3599999999999994	2.75999999999999979	2.68000000000000016	2.45999999999999996	2.58999999999999986	3.08000000000000007	2.70999999999999996	-3.49000000000000021	0.0947999999999999954	0.000322000000000000021	Soluble	-3.10000000000000009	0.235999999999999988	0.000801999999999999979	Soluble	-4.20000000000000018	0.0188000000000000007	6.38000000000000058e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.19000000000000039	0	0	0	0	0	0.550000000000000044
2331	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	2.20000000000000018	2.70999999999999996	2.49000000000000021	2.10000000000000009	2.64000000000000012	2.43000000000000016	-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
2332	154.25	C10H18O	\N	\N	1	O=CC[C@H](CCC=C(C)C)C	11	0	0.699999999999999956	5	1	0	49.9099999999999966	17.0700000000000003	2.45000000000000018	3.83000000000000007	2.95999999999999996	2.58999999999999986	2.81999999999999984	2.93000000000000016	-2.87999999999999989	0.203999999999999987	0.00131999999999999999	Soluble	-3.87999999999999989	0.0200999999999999998	0.000131000000000000013	Soluble	-2.33000000000000007	0.725999999999999979	0.00470999999999999978	Soluble	High	Yes	No	No	No	No	No	No	-4.51999999999999957	0	1	0	0	2	0.550000000000000044
2333	156.27000000000001	C10H20O	\N	\N	1	OCC[C@H](CCC=C(C)C)C	11	0	0.800000000000000044	5	1	1	50.8699999999999974	20.2300000000000004	2.7799999999999998	3.91000000000000014	2.75	2.70000000000000018	2.50999999999999979	2.93000000000000016	-2.93999999999999995	0.178999999999999992	0.00113999999999999995	Soluble	-4.03000000000000025	0.0145000000000000007	9.26000000000000011e-05	Moderately soluble	-2.20999999999999996	0.963999999999999968	0.00617000000000000014	Soluble	High	Yes	No	No	No	No	No	No	-4.48000000000000043	0	1	0	0	2	0.550000000000000044
2334	152.22999999999999	C10H16O	\N	\N	1	O=C1[C@]2(C)CC[C@H](C1(C)C)C2	11	0	0.900000000000000022	0	1	0	45.6400000000000006	17.0700000000000003	2.20999999999999996	3.52000000000000002	2.39999999999999991	2.29999999999999982	2.85000000000000009	2.66000000000000014	-3	0.151999999999999996	0.000997000000000000056	Soluble	-3.56000000000000005	0.041700000000000001	0.000273999999999999992	Soluble	-2.60000000000000009	0.383000000000000007	0.0025200000000000001	Soluble	High	Yes	No	No	No	No	No	No	-4.73000000000000043	0	1	0	0	2	0.550000000000000044
2335	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
2337	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
2338	136.22999999999999	C10H16	\N	\N	1	CC1=CC[C@H](C=C1)C(C)C	10	0	0.599999999999999978	1	0	0	47.1199999999999974	0	2.64000000000000012	3.20999999999999996	3.16000000000000014	3.27000000000000002	2.54999999999999982	2.9700000000000002	-2.64000000000000012	0.310999999999999999	0.00228999999999999993	Soluble	-2.87999999999999989	0.178999999999999992	0.00130999999999999997	Soluble	-1.78000000000000003	2.27000000000000002	0.0166999999999999996	Soluble	Low	Yes	No	No	No	No	No	No	-4.84999999999999964	0	1	0	0	2	0.550000000000000044
2339	136.22999999999999	C10H16	\N	\N	1	CC([C@H]1CCC(=C)C=C1)C	10	0	0.599999999999999978	1	0	0	47.1199999999999974	0	2.64999999999999991	3.43999999999999995	3.16000000000000014	3.27000000000000002	2.83999999999999986	3.06999999999999984	-2.79000000000000004	0.223000000000000004	0.00163999999999999996	Soluble	-3.12000000000000011	0.102999999999999994	0.000756999999999999969	Soluble	-2.0299999999999998	1.28000000000000003	0.00941999999999999955	Soluble	Low	Yes	No	No	No	No	No	No	-4.69000000000000039	0	1	0	0	2	0.550000000000000044
2340	154.25	C10H18O	\N	\N	1	CC1=CC[C@H](CC1)C(O)(C)C	11	0	0.800000000000000044	1	1	1	48.7999999999999972	20.2300000000000004	2.08999999999999986	3.39000000000000012	2.5	2.29999999999999982	2.16999999999999993	2.49000000000000021	-2.87000000000000011	0.209999999999999992	0.0013600000000000001	Soluble	-3.49000000000000021	0.0495000000000000023	0.000320999999999999996	Soluble	-1.68999999999999995	3.16999999999999993	0.0206000000000000003	Soluble	High	Yes	No	No	No	No	No	No	-4.83000000000000007	0	1	0	0	2	0.550000000000000044
2341	150.219999999999999	C10H14O	\N	\N	1	CC1=CC[C@H]2C(=O)[C@@H]1C2(C)C	11	0	0.699999999999999956	0	1	0	45.4200000000000017	17.0700000000000003	2.16000000000000014	1.70999999999999996	2.18000000000000016	2.20000000000000018	2.45000000000000018	2.14000000000000012	-1.85000000000000009	2.12999999999999989	0.0142000000000000008	Very soluble	-1.67999999999999994	3.10999999999999988	0.0206999999999999997	Very soluble	-2.12999999999999989	1.12000000000000011	0.00742999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-6	0	1	0	0	2	0.550000000000000044
2342	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	2.33999999999999986	3.12000000000000011	2.2799999999999998	2.20000000000000018	2.04999999999999982	2.39999999999999991	-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
2344	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	2.37000000000000011	3.20999999999999996	2.35999999999999988	2.29999999999999982	2.06000000000000005	2.45999999999999996	-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
2345	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
2346	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	2.39999999999999991	3.20999999999999996	2.35999999999999988	2.29999999999999982	2.06000000000000005	2.4700000000000002	-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
2347	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	2.25999999999999979	3.12000000000000011	2.2799999999999998	2.20000000000000018	2.04999999999999982	2.37999999999999989	-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
2348	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	2.31999999999999984	3.12000000000000011	2.2799999999999998	2.20000000000000018	2.04999999999999982	2.39000000000000012	-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
2350	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	2.35999999999999988	3.20999999999999996	2.35999999999999988	2.29999999999999982	2.06000000000000005	2.45999999999999996	-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
2351	338.350000000000023	C20H18O5	\N	\N	1	CC(=CCc1c(O)cc2c(c1O)c(=O)c(c(o2)c1ccccc1)O)C	25	16	0.149999999999999994	3	5	3	97.7099999999999937	90.9000000000000057	3.20999999999999996	4.79999999999999982	4.08999999999999986	1.6399999999999999	4.20999999999999996	3.58999999999999986	-5.24000000000000021	0.00195999999999999994	5.78999999999999962e-06	Moderately soluble	-6.44000000000000039	0.000123000000000000008	3.61999999999999986e-07	Poorly soluble	-5.63999999999999968	0.000773000000000000033	2.2900000000000001e-06	Moderately soluble	High	No	No	No	No	Yes	No	No	-4.95999999999999996	0	0	0	0	0	0.550000000000000044
2352	284.259999999999991	C16H12O5	\N	\N	1	COc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccccc1	21	16	0.0599999999999999978	2	5	2	78.4599999999999937	79.9000000000000057	2.43999999999999995	3.70000000000000018	2.87999999999999989	0.770000000000000018	3.0299999999999998	2.56000000000000005	-4.37000000000000011	0.0123000000000000002	4.30999999999999973e-05	Moderately soluble	-5.07000000000000028	0.00242999999999999987	8.53999999999999955e-06	Moderately soluble	-5.09999999999999964	0.00224999999999999983	7.9100000000000005e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.41000000000000014	0	0	0	0	0	0.550000000000000044
2353	368.379999999999995	C21H20O6	\N	\N	1	COc1ccc(cc1)c1oc2c(c(=O)c1O)c(O)cc(c2C(C=C)(C)C)O	27	16	0.190000000000000002	4	6	3	104.079999999999998	100.129999999999995	3.35000000000000009	4.79000000000000004	4.04999999999999982	1.31000000000000005	4.28000000000000025	3.56000000000000005	-5.32000000000000028	0.0017799999999999999	4.83000000000000034e-06	Moderately soluble	-6.62000000000000011	8.74999999999999991e-05	2.36999999999999991e-07	Poorly soluble	-5.75	0.000657999999999999948	1.79000000000000001e-06	Moderately soluble	High	No	No	No	No	Yes	No	No	-5.15000000000000036	0	0	0	0	0	0.550000000000000044
2354	346.29000000000002	C17H14O8	\N	\N	1	COc1cc(cc(c1O)OC)c1oc2cc(O)cc(c2c(=O)c1O)O	25	16	0.119999999999999996	3	8	4	89	129.590000000000003	1.77000000000000002	1.84000000000000008	2.29999999999999982	-0.589999999999999969	2.12000000000000011	1.48999999999999999	-3.41999999999999993	0.131000000000000005	0.000378999999999999997	Soluble	-4.17999999999999972	0.0228000000000000008	6.58000000000000002e-05	Moderately soluble	-4.04999999999999982	0.0309999999999999998	8.94999999999999935e-05	Moderately soluble	High	No	Yes	Yes	No	No	Yes	Yes	-7.11000000000000032	0	0	0	0	0	0.550000000000000044
2355	268.259999999999991	C16H12O4	\N	\N	1	COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1	20	16	0.0599999999999999978	2	4	1	76.4399999999999977	59.6700000000000017	2.87999999999999989	3.85000000000000009	3.16999999999999993	1.33000000000000007	3.52000000000000002	2.95000000000000018	-4.38999999999999968	0.0109999999999999994	4.0899999999999998e-05	Moderately soluble	-4.79999999999999982	0.0042599999999999999	1.59000000000000002e-05	Moderately soluble	-5.67999999999999972	0.000558000000000000011	2.07999999999999999e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.20000000000000018	0	0	0	0	0	0.550000000000000044
2357	292.370000000000005	C19H20N2O	\N	\N	1	C/C=C\\1/CN2[C@@H]3[C@H]([C@H]1C[C@H]2c1c(C3)c2c([nH]1)cccc2)C=O	22	9	0.419999999999999984	1	2	1	91.6899999999999977	36.1000000000000014	2.35000000000000009	1.97999999999999998	2.5299999999999998	2.54999999999999982	3.45999999999999996	2.56999999999999984	-3.14000000000000012	0.212999999999999995	0.000729999999999999963	Soluble	-2.35999999999999988	1.26000000000000001	0.00432999999999999965	Soluble	-4.26999999999999957	0.0158000000000000015	5.41000000000000004e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.67999999999999972	0	0	0	0	0	0.550000000000000044
2358	292.370000000000005	C19H20N2O	\N	\N	1	C/C=C\\1/CN2[C@@H]3[C@H]([C@H]1C[C@H]2c1c(C3)c2c([nH]1)cccc2)C=O	22	9	0.419999999999999984	1	2	1	91.6899999999999977	36.1000000000000014	2.35000000000000009	1.97999999999999998	2.5299999999999998	2.54999999999999982	3.45999999999999996	2.56999999999999984	-3.14000000000000012	0.212999999999999995	0.000729999999999999963	Soluble	-2.35999999999999988	1.26000000000000001	0.00432999999999999965	Soluble	-4.26999999999999957	0.0158000000000000015	5.41000000000000004e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.67999999999999972	0	0	0	0	0	0.550000000000000044
2359	294.389999999999986	C19H22N2O	\N	\N	1	C/C=C\\1/CN2[C@@H]3[C@@H]([C@H]1C[C@H]2c1c(C3)c2c([nH]1)cccc2)CO	22	9	0.469999999999999973	1	2	2	92.6500000000000057	39.259999999999998	2.52000000000000002	2.08999999999999986	2.31999999999999984	2.62999999999999989	3.14999999999999991	2.54000000000000004	-3.2200000000000002	0.177999999999999992	0.000604000000000000045	Soluble	-2.54000000000000004	0.839999999999999969	0.0028500000000000001	Soluble	-4.15000000000000036	0.0210000000000000013	7.12999999999999984e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.61000000000000032	0	0	0	0	0	0.550000000000000044
2360	360.360000000000014	C16H24O9	\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)O)[C@@H]([C@H]([C@@H]1O)O)O	25	0	0.810000000000000053	4	9	5	81.8799999999999955	145.909999999999997	1.44999999999999996	-0.369999999999999996	-1.20999999999999996	-1.22999999999999998	-1.84000000000000008	-0.640000000000000013	-1.58000000000000007	9.53999999999999915	0.0264999999999999993	Very soluble	-2.22999999999999998	2.12000000000000011	0.00587000000000000022	Soluble	1.80000000000000004	22500	62.5	Soluble	Low	No	Yes	No	No	No	No	No	-8.75999999999999979	0	1	1	1	0	0.560000000000000053
2361	792.960000000000036	C46H56N4O8	\N	\N	1	CCC1=C[C@H]2CN(C1)CCc1c([C@@](C2)(C(=O)OC)c2cc3c(cc2OC)N([C@@H]2[C@@]43CCN3[C@H]4[C@@](CC)(C=CC3)[C@H]([C@]2(O)C(=O)OC)OC(=O)C)C)[nH]c2c1cccc2	58	15	0.540000000000000036	10	10	2	230.849999999999994	133.870000000000005	4.91000000000000014	4.23000000000000043	3.64999999999999991	3.0299999999999998	5.20000000000000018	4.20000000000000018	-6.95000000000000018	8.83999999999999939e-05	1.11999999999999997e-07	Poorly soluble	-6.75	0.000139999999999999988	1.7700000000000001e-07	Poorly soluble	-8.83000000000000007	1.17999999999999993e-06	1.49000000000000002e-09	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-8.13000000000000078	2	3	0	1	2	0.170000000000000012
2362	352.430000000000007	C21H24N2O3	\N	\N	1	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@](C1)(C=CCN2CC4)[C@H](O)C)cccc3	26	6	0.479999999999999982	3	4	2	105.620000000000005	61.7999999999999972	2.99000000000000021	2.22999999999999998	1.23999999999999999	2.20999999999999996	2.12999999999999989	2.16000000000000014	-3.39999999999999991	0.139000000000000012	0.000395999999999999976	Soluble	-3.16000000000000014	0.241999999999999993	0.000687000000000000002	Soluble	-3.9700000000000002	0.0376999999999999974	0.000106999999999999999	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.87000000000000011	0	0	0	0	0	0.550000000000000044
2363	352.430000000000007	C21H24N2O3	\N	\N	1	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@@](C1)(CC)C=CCN2CC4)ccc(c3)O	26	6	0.479999999999999982	3	4	2	106.480000000000004	61.7999999999999972	2.93999999999999995	3.02000000000000002	1.96999999999999997	2.47999999999999998	2.43000000000000016	2.56999999999999984	-3.89999999999999991	0.0442999999999999991	0.000126	Soluble	-3.97999999999999998	0.0367000000000000035	0.000103999999999999994	Soluble	-4.33000000000000007	0.0166000000000000002	4.69999999999999972e-05	Moderately soluble	High	Yes	Yes	No	No	Yes	Yes	Yes	-6.30999999999999961	0	0	0	0	0	0.550000000000000044
2364	420.410000000000025	C18H28O11	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@@](C)(OC(=O)C)C[C@H]3O)O)C)[C@@H]([C@H]([C@@H]1O)O)O	29	0	0.82999999999999996	5	11	6	93.4099999999999966	175.370000000000005	2.35999999999999988	-2.7799999999999998	-2.5	-2.2799999999999998	-2.16999999999999993	-1.47999999999999998	-0.369999999999999996	181	0.430999999999999994	Very soluble	-0.349999999999999978	188	0.448000000000000009	Very soluble	1.69999999999999996	21000	49.8999999999999986	Soluble	Low	No	No	No	No	No	No	No	-10.8399999999999999	2	1	1	1	4	0.170000000000000012
2366	358.339999999999975	C16H22O9	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2C(=CC3)C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	25	0	0.689999999999999947	4	9	5	81.4099999999999966	145.909999999999997	1.37999999999999989	-1.41999999999999993	-1.29000000000000004	-1.33000000000000007	-1.85000000000000009	-0.900000000000000022	-0.900000000000000022	44.7999999999999972	0.125	Very soluble	-1.1399999999999999	25.8999999999999986	0.0720999999999999974	Very soluble	1.81000000000000005	23300	65	Soluble	Low	No	Yes	No	No	No	No	No	-9.49000000000000021	0	1	1	1	0	0.560000000000000053
2367	374.339999999999975	C16H22O10	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2C(=CC3)CO)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	26	0	0.689999999999999947	5	10	6	82.5699999999999932	166.139999999999986	2	-2.66999999999999993	-2.31999999999999984	-2.10000000000000009	-2.45000000000000018	-1.51000000000000001	-0.149999999999999994	266	0.709999999999999964	Very soluble	-0.270000000000000018	201	0.538000000000000034	Very soluble	2.37999999999999989	90200	241	Soluble	Low	No	No	No	No	No	No	No	-10.4800000000000004	1	1	1	1	3	0.110000000000000001
2368	366.449999999999989	C22H26N2O3	\N	\N	1	COc1ccc2c(c1)NC1=C(C[C@]3([C@H]4[C@@]21CCN4CC=C3)CC)C(=O)OC	27	6	0.5	4	4	1	110.950000000000003	50.7999999999999972	3.66999999999999993	3.33999999999999986	2.2799999999999998	2.70000000000000018	2.9700000000000002	2.99000000000000021	-4.12000000000000011	0.0280000000000000006	7.64000000000000004e-05	Moderately soluble	-4.08000000000000007	0.0302000000000000011	8.23999999999999971e-05	Moderately soluble	-5.01999999999999957	0.00350000000000000007	9.55000000000000004e-06	Moderately soluble	High	Yes	Yes	No	Yes	Yes	Yes	Yes	-6.16000000000000014	0	0	0	0	0	0.550000000000000044
2369	352.430000000000007	C21H24N2O3	\N	\N	1	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@@](C1)(CC)[C@@H]1O[C@@H]1CN2CC4)cccc3	26	6	0.569999999999999951	3	4	1	103.900000000000006	54.1000000000000014	3.12999999999999989	2.5299999999999998	1.47999999999999998	2.29000000000000004	2.77000000000000002	2.43999999999999995	-3.58999999999999986	0.0902000000000000024	0.000255999999999999988	Soluble	-3.31000000000000005	0.171999999999999986	0.00048700000000000002	Soluble	-4.63999999999999968	0.00801999999999999935	2.27999999999999985e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	Yes	-6.65000000000000036	0	0	0	0	0	0.550000000000000044
2370	368.430000000000007	C21H24N2O4	\N	\N	1	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@@](C1)([C@H](O)C)[C@@H]1O[C@@H]1CN2CC4)cccc3	27	6	0.569999999999999951	3	5	2	105.060000000000002	74.3299999999999983	2.68999999999999995	1.37999999999999989	0.450000000000000011	1.47999999999999998	1.97999999999999998	1.60000000000000009	-2.95999999999999996	0.404000000000000026	0.00110000000000000007	Soluble	-2.54000000000000004	1.05000000000000004	0.00286000000000000013	Soluble	-3.70000000000000018	0.0734999999999999959	0.00020000000000000001	Soluble	High	No	Yes	No	No	No	Yes	No	-7.57000000000000028	0	0	0	0	0	0.550000000000000044
2371	368.430000000000007	C21H24N2O4	\N	\N	1	C=C[C@H]([C@@H](/C(=C/O)/C(=O)OC)C[C@@H]1NCCc2c1[nH]c1c2cccc1)C=O	27	9	0.330000000000000016	8	5	3	107.819999999999993	91.4200000000000017	2.5	2.54999999999999982	2.27000000000000002	1.15999999999999992	3.89999999999999991	2.47999999999999998	-3.45000000000000018	0.131000000000000005	0.00035500000000000001	Soluble	-4.12000000000000011	0.0281	7.64000000000000004e-05	Moderately soluble	-4.37000000000000011	0.0156999999999999987	4.27000000000000011e-05	Moderately soluble	High	No	Yes	Yes	No	Yes	No	No	-6.74000000000000021	0	0	0	0	0	0.560000000000000053
2373	350.410000000000025	C21H22N2O3	\N	\N	1	COC(=O)C1=CO[C@H](C2=CN3[C@@H](C[C@H]12)c1[nH]c2c(c1CC3)cccc2)C	26	9	0.380000000000000004	2	3	1	103	54.5600000000000023	3.2200000000000002	2.43000000000000016	2.74000000000000021	2.04999999999999982	2.77000000000000002	2.64000000000000012	-3.66999999999999993	0.0753000000000000058	0.000214999999999999995	Soluble	-3.2200000000000002	0.211999999999999994	0.000604999999999999961	Soluble	-4.36000000000000032	0.0152	4.33000000000000022e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-6.70999999999999996	0	0	0	0	0	0.560000000000000053
2374	350.410000000000025	C21H22N2O3	\N	\N	1	COC(=O)C1=CO[C@@H](C2=CN3[C@@H](C[C@H]12)c1[nH]c2c(c1CC3)cccc2)C	26	9	0.380000000000000004	2	3	1	103	54.5600000000000023	3.12999999999999989	2.43000000000000016	2.74000000000000021	2.04999999999999982	2.77000000000000002	2.62000000000000011	-3.66999999999999993	0.0753000000000000058	0.000214999999999999995	Soluble	-3.2200000000000002	0.211999999999999994	0.000604999999999999961	Soluble	-4.36000000000000032	0.0152	4.33000000000000022e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-6.70999999999999996	0	0	0	0	0	0.560000000000000053
2375	352.430000000000007	C21H24N2O3	\N	\N	1	COC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1)C	26	9	0.479999999999999982	2	4	1	103.469999999999999	54.5600000000000023	3.08000000000000007	2.75	2.4700000000000002	2.12999999999999989	2.7799999999999998	2.64000000000000012	-3.87999999999999989	0.0463000000000000009	0.000131000000000000013	Soluble	-3.54999999999999982	0.0991999999999999965	0.000281	Soluble	-4.37999999999999989	0.0146999999999999995	4.16000000000000015e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.5	0	0	0	0	0	0.560000000000000053
2376	352.430000000000007	C21H24N2O3	\N	\N	1	COC(=O)C1=CO[C@@H]([C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1)C	26	9	0.479999999999999982	2	4	1	103.469999999999999	54.5600000000000023	3.20000000000000018	2.75	2.4700000000000002	2.12999999999999989	2.7799999999999998	2.66999999999999993	-3.87999999999999989	0.0463000000000000009	0.000131000000000000013	Soluble	-3.54999999999999982	0.0991999999999999965	0.000281	Soluble	-4.37999999999999989	0.0146999999999999995	4.16000000000000015e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.5	0	0	0	0	0	0.560000000000000053
2377	354.439999999999998	C21H26N2O3	\N	\N	1	C/C=C/1\\CN2CCc3c([C@@]([C@H]1CC2)(CO)C(=O)OC)[nH]c1c3cccc1	26	9	0.479999999999999982	3	4	2	105.549999999999997	65.5600000000000023	2.54000000000000004	1.80000000000000004	2.00999999999999979	2.12999999999999989	3.5	2.39000000000000012	-3.22999999999999998	0.208999999999999991	0.000589000000000000005	Soluble	-2.79999999999999982	0.566999999999999948	0.00160000000000000008	Soluble	-4.87999999999999989	0.00470000000000000018	1.32999999999999997e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-7.17999999999999972	0	0	0	0	0	0.550000000000000044
2378	544.590000000000032	C29H36O10	\N	\N	1	CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O	39	6	0.619999999999999996	5	10	4	136.509999999999991	159.819999999999993	2.68999999999999995	0.619999999999999996	1.08000000000000007	0.650000000000000022	1.91999999999999993	1.3899999999999999	-3.39000000000000012	0.221000000000000002	0.000407000000000000027	Soluble	-3.54999999999999982	0.152999999999999997	0.000281	Soluble	-3.79000000000000004	0.0887000000000000011	0.000163000000000000005	Soluble	Low	No	Yes	No	No	No	No	Yes	-9.17999999999999972	1	3	1	1	1	0.550000000000000044
2380	396.480000000000018	C23H28N2O4	\N	\N	1	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@](C1)(CCCN2CC4)[C@@H](OC(=O)C)C)cccc3	29	6	0.569999999999999951	5	5	1	115.829999999999998	67.8700000000000045	3.54999999999999982	2.91000000000000014	2.0299999999999998	2.64000000000000012	3.02000000000000002	2.83000000000000007	-3.95000000000000018	0.0439999999999999974	0.000111000000000000001	Soluble	-4	0.0400000000000000008	0.000101000000000000002	Soluble	-5.05999999999999961	0.00348000000000000002	8.77000000000000074e-06	Moderately soluble	High	Yes	No	No	No	No	Yes	Yes	-6.65000000000000036	0	0	0	0	0	0.550000000000000044
2381	334.410000000000025	C21H22N2O2	\N	\N	1	C/C=C\\1/CN2[C@@H]3[C@@H]4[C@H]1C[C@H]2C1=Nc2c([C@]1([C@@H]4OC(=O)C)C3)cccc2	25	6	0.520000000000000018	2	4	0	103.370000000000005	41.8999999999999986	2.91000000000000014	1.94999999999999996	2.22999999999999998	3.04000000000000004	3.31000000000000005	2.68999999999999995	-3.18999999999999995	0.216999999999999998	0.000648999999999999946	Soluble	-2.45000000000000018	1.16999999999999993	0.0035100000000000001	Soluble	-4.09999999999999964	0.0264999999999999993	7.93000000000000031e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	Yes	-6.95999999999999996	0	0	0	0	0	0.550000000000000044
2382	352.430000000000007	C21H24N2O3	\N	\N	1	C/C=C\\1/[C@@H](O)N2[C@@H]3[C@@H]4[C@H]1C[C@H]2[C@H]1[C@@]([C@@H]4OC(=O)C)(C3)c2c(N1)cccc2	26	6	0.569999999999999951	2	4	2	104.239999999999995	61.7999999999999972	2.29999999999999982	2	1.07000000000000006	2.70000000000000018	1.34000000000000008	1.87999999999999989	-3.31999999999999984	0.16700000000000001	0.000473999999999999975	Soluble	-2.91999999999999993	0.418999999999999984	0.00119000000000000009	Soluble	-3.06999999999999984	0.298999999999999988	0.000846999999999999988	Soluble	High	Yes	Yes	No	No	No	Yes	No	-7.03000000000000025	0	0	0	0	0	0.550000000000000044
2383	354.439999999999998	C21H26N2O3	\N	\N	1	CC[C@@H]1[C@@H](O)N2[C@@H]3[C@@H]4[C@H]1C[C@H]2[C@H]1[C@@]([C@@H]4OC(=O)C)(C3)c2c(N1)cccc2	26	6	0.67000000000000004	3	4	2	104.709999999999994	61.7999999999999972	2.62000000000000011	2.25	1.14999999999999991	2.7799999999999998	1.23999999999999999	2.00999999999999979	-3.43000000000000016	0.132000000000000006	0.000373000000000000013	Soluble	-3.18000000000000016	0.232000000000000012	0.000654999999999999983	Soluble	-3.20999999999999996	0.215999999999999998	0.000609999999999999974	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.86000000000000032	0	0	0	0	0	0.550000000000000044
2384	312.410000000000025	C19H24N2O2	\N	\N	1	CC[C@H]1[C@@H]2C[C@@H]3N([C@@H]1O)[C@@H]1[C@H]2[C@@H](O)[C@]2([C@H]3Nc3c2cccc3)C1	23	6	0.680000000000000049	1	3	3	94.9699999999999989	55.7299999999999969	2.06000000000000005	1.66999999999999993	0.57999999999999996	2.43999999999999995	0.800000000000000044	1.51000000000000001	-2.95999999999999996	0.345999999999999974	0.00111000000000000009	Soluble	-2.45000000000000018	1.10000000000000009	0.0035100000000000001	Soluble	-2.58999999999999986	0.805000000000000049	0.00257999999999999983	Soluble	High	No	Yes	No	No	No	Yes	No	-7.01999999999999957	0	0	0	0	0	0.550000000000000044
2385	382.449999999999989	C22H26N2O4	\N	\N	1	COc1ccc2c(c1)NC1=C(C[C@]3([C@H]4[C@@]21CCN4C[C@@H]1[C@H]3O1)CC)C(=O)OC	28	6	0.589999999999999969	4	5	1	110.390000000000001	63.3299999999999983	3.49000000000000021	2.5	1.48999999999999999	1.96999999999999997	2.81999999999999984	2.45000000000000018	-3.68000000000000016	0.0797999999999999959	0.000209000000000000012	Soluble	-3.47999999999999998	0.128000000000000003	0.000335000000000000011	Soluble	-4.75	0.00683000000000000013	1.79000000000000014e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	Yes	-6.86000000000000032	0	0	0	0	0	0.550000000000000044
2386	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	2.10999999999999988	-0.46000000000000002	-1.30000000000000004	-1.17999999999999994	-1.25	-0.419999999999999984	-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
2388	317.420000000000016	C19H27NO3	\N	\N	1	O=CC[C@H]1C[C@@H]2N(C[C@@H]1CC)CCc1c2cc(OC)c(c1)OC	23	6	0.630000000000000004	5	4	0	95.4000000000000057	38.7700000000000031	3.29000000000000004	2.74000000000000021	2.5299999999999998	2.20999999999999996	3.43000000000000016	2.83999999999999986	-3.39999999999999991	0.127000000000000002	0.000400999999999999989	Soluble	-3.20999999999999996	0.196000000000000008	0.000617999999999999951	Soluble	-4.36000000000000032	0.0137999999999999998	4.35000000000000003e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-6.29000000000000004	0	0	0	0	0	0.550000000000000044
2389	459.620000000000005	C29H37N3O2	\N	\N	1	CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1c2cccc1)cc(c(c3)OC)OC	34	15	0.520000000000000018	5	4	2	145.919999999999987	49.5200000000000031	4.33000000000000007	4.95999999999999996	4	3.43000000000000016	5.37000000000000011	4.41999999999999993	-5.80999999999999961	0.000710000000000000019	1.54999999999999998e-06	Moderately soluble	-5.74000000000000021	0.000840000000000000035	1.83000000000000005e-06	Moderately soluble	-8.34999999999999964	2.03999999999999995e-06	4.44000000000000038e-09	Poorly soluble	High	Yes	Yes	No	No	No	No	No	-5.58000000000000007	0	2	0	0	0	0.550000000000000044
2390	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	3.62999999999999989	3.10999999999999988	2.22999999999999998	2.37999999999999989	3.52000000000000002	2.9700000000000002	-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
2391	332.430000000000007	C20H28O4	\N	\N	1	O=C[C@H]1[C@H]2[C@@]([C@H]3[C@@]41C[C@H](C(=C)C4)CC3)(C)CC[C@@H]([C@@]2(C)C(=O)O)O	24	0	0.800000000000000044	2	4	2	91.6800000000000068	74.5999999999999943	2.10999999999999988	3.02000000000000002	3.04999999999999982	2.81000000000000005	2.97999999999999998	2.79000000000000004	-3.66999999999999993	0.0708000000000000018	0.000213	Soluble	-4.25	0.0185999999999999985	5.59999999999999992e-05	Moderately soluble	-2.72999999999999998	0.617999999999999994	0.00186000000000000011	Soluble	High	Yes	Yes	No	No	No	No	No	-6.17999999999999972	0	0	0	0	0	0.560000000000000053
2392	330.370000000000005	C19H22O5	\N	\N	1	O=C1C=C2[C@@H]3CC[C@@H]4C[C@@]3([C@H]([C@@H]2[C@](C1)(C)C(=O)O)C(=O)O)CC4=C	24	0	0.630000000000000004	2	5	2	87.269999999999996	91.6700000000000017	1.58000000000000007	1.19999999999999996	2.66999999999999993	2.39000000000000012	2.29000000000000004	2.0299999999999998	-2.50999999999999979	1.02000000000000002	0.00306999999999999981	Soluble	-2.7200000000000002	0.627000000000000002	0.0019	Soluble	-2.22999999999999998	1.95999999999999996	0.00593000000000000037	Soluble	High	No	Yes	No	No	No	No	No	-7.45999999999999996	0	0	0	0	0	0.560000000000000053
2393	346.370000000000005	C19H22O6	\N	\N	1	O=C1C=C2[C@@H]3CC[C@@]4(C[C@@]3([C@H]([C@@H]2[C@](C1)(C)C(=O)O)C(=O)O)CC4=C)O	25	0	0.630000000000000004	2	6	3	88.4699999999999989	111.900000000000006	1.18999999999999995	-0.429999999999999993	1.78000000000000003	1.57000000000000006	1.80000000000000004	1.17999999999999994	-1.58000000000000007	9.00999999999999979	0.0259999999999999988	Very soluble	-1.44999999999999996	12.1999999999999993	0.0350999999999999993	Very soluble	-1.8600000000000001	4.76999999999999957	0.0137999999999999998	Soluble	High	No	Yes	No	No	No	No	No	-8.72000000000000064	0	0	0	0	0	0.560000000000000053
2394	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@H]1[C@@H]([C@@]2(C)C(=O)O3)O1	25	0	0.790000000000000036	1	6	2	85.1500000000000057	96.3599999999999994	1.80000000000000004	0.25	1.27000000000000002	1.75	2.06000000000000005	1.42999999999999994	-2.08000000000000007	2.89000000000000012	0.00834000000000000019	Soluble	-1.83000000000000007	5.07000000000000028	0.0146000000000000001	Very soluble	-2.00999999999999979	3.39000000000000012	0.00979000000000000009	Soluble	High	No	Yes	No	No	No	No	No	-8.24000000000000021	0	0	0	0	0	0.560000000000000053
2396	348.430000000000007	C20H28O5	\N	\N	1	C=C1C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H]([C@@H]2C(=O)O)[C@](C)(C(=O)O)[C@H](CC1)O)C	25	0	0.800000000000000044	2	5	3	93.25	94.8299999999999983	1.53000000000000003	3.08000000000000007	2.93000000000000016	2.79000000000000004	2.2200000000000002	2.50999999999999979	-3.81000000000000005	0.0541000000000000023	0.000155	Soluble	-4.74000000000000021	0.0063600000000000002	1.81999999999999985e-05	Moderately soluble	-2.14999999999999991	2.49000000000000021	0.00713999999999999965	Soluble	High	No	Yes	No	No	No	No	No	-6.24000000000000021	0	0	0	0	0	0.560000000000000053
2397	364.430000000000007	C20H28O6	\N	\N	1	OC[C@]12CC[C@@H]([C@@]([C@H]2[C@@H]([C@]23[C@H]1CC[C@H](C2)C(=C)C3)C(=O)O)(C)C(=O)O)O	26	0	0.800000000000000044	3	6	4	94.4099999999999966	115.060000000000002	1.09000000000000008	1.8600000000000001	1.89999999999999991	1.97999999999999998	1.62000000000000011	1.68999999999999995	-3.06999999999999984	0.307999999999999996	0.000845000000000000048	Soluble	-3.89999999999999991	0.0461000000000000021	0.000126999999999999997	Soluble	-1.58000000000000007	9.65000000000000036	0.0264999999999999993	Soluble	High	No	Yes	No	No	No	No	No	-7.20000000000000018	0	0	0	0	0	0.560000000000000053
2398	348.430000000000007	C20H28O5	\N	\N	1	OC[C@]12CCC[C@@]([C@H]2[C@@H]([C@@]23[C@H]1CC[C@H](C3)C(=C)C2)C(=O)O)(C)C(=O)O	25	0	0.800000000000000044	3	5	3	93.25	94.8299999999999983	1.83000000000000007	2.4700000000000002	2.93000000000000016	2.79000000000000004	2.5	2.50999999999999979	-3.35999999999999988	0.152999999999999997	0.000438000000000000021	Soluble	-4.11000000000000032	0.0273000000000000013	7.83999999999999948e-05	Moderately soluble	-2.39000000000000012	1.40999999999999992	0.00404000000000000019	Soluble	High	No	Yes	No	No	No	No	No	-6.66999999999999993	0	0	0	0	0	0.560000000000000053
2399	346.420000000000016	C20H26O5	\N	\N	1	O=C[C@]12CCC[C@@]([C@H]2[C@@H]([C@@]23[C@H]1CC[C@H](C3)C(=C)C2)C(=O)O)(C)C(=O)O	25	0	0.75	3	5	2	92.2900000000000063	91.6700000000000017	1.26000000000000001	2.33000000000000007	3.14000000000000012	2.70000000000000018	2.81000000000000005	2.45000000000000018	-3.25999999999999979	0.191000000000000003	0.000551999999999999973	Soluble	-3.89000000000000012	0.0442000000000000032	0.000127999999999999994	Soluble	-2.50999999999999979	1.06000000000000005	0.00305999999999999979	Soluble	High	No	Yes	No	No	No	No	No	-6.75999999999999979	0	0	0	0	0	0.560000000000000053
2400	362.420000000000016	C20H26O6	\N	\N	1	O=C[C@]12CC[C@@H]([C@@]([C@H]2[C@@H]([C@]23[C@H]1CC[C@H](C2)C(=C)C3)C(=O)O)(C)C(=O)O)O	26	0	0.75	3	6	3	93.4500000000000028	111.900000000000006	1.54000000000000004	1.71999999999999997	2.10999999999999988	1.8899999999999999	1.91999999999999993	1.84000000000000008	-2.9700000000000002	0.38600000000000001	0.00106999999999999999	Soluble	-3.68999999999999995	0.0747000000000000025	0.000205999999999999993	Soluble	-1.69999999999999996	7.28000000000000025	0.0200999999999999998	Soluble	High	No	Yes	No	No	No	No	No	-7.29000000000000004	0	0	0	0	0	0.560000000000000053
2401	316.389999999999986	C19H24O4	\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)O3	23	0	0.790000000000000036	1	4	1	84.980000000000004	63.6000000000000014	2.49000000000000021	2.64999999999999991	3.16999999999999993	3.39000000000000012	3.12000000000000011	2.95999999999999996	-3.41000000000000014	0.123999999999999999	0.000393000000000000012	Soluble	-3.64000000000000012	0.0729999999999999954	0.000231000000000000004	Soluble	-3.10999999999999988	0.244999999999999996	0.000773999999999999948	Soluble	High	Yes	Yes	No	No	No	No	No	-6.34999999999999964	0	0	0	0	0	0.560000000000000053
2403	332.389999999999986	C19H24O5	\N	\N	1	O[C@H]1C[C@@]23OC(=O)[C@](C1)([C@H]3[C@@H]([C@]13[C@H]2CC[C@H](C1)C(=C)C3)C(=O)O)C	24	0	0.790000000000000036	1	5	2	86.1400000000000006	83.8299999999999983	2.08000000000000007	1.67999999999999994	2.14000000000000012	2.56000000000000005	2.2200000000000002	2.14000000000000012	-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
2404	314.379999999999995	C19H22O4	\N	\N	1	OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@@H](C5)CC4)CC=C[C@@]2(C)C(=O)O3	23	0	0.680000000000000049	1	4	1	84.5	63.6000000000000014	2.27000000000000002	2.66999999999999993	2.93999999999999995	3.29999999999999982	2.70999999999999996	2.7799999999999998	-3.41000000000000014	0.123999999999999999	0.000393000000000000012	Soluble	-3.66000000000000014	0.0691999999999999976	0.000220000000000000008	Soluble	-2.64000000000000012	0.713999999999999968	0.00226999999999999988	Soluble	High	Yes	Yes	No	No	No	No	No	-6.32000000000000028	0	0	0	0	0	0.560000000000000053
2405	330.370000000000005	C19H22O5	\N	\N	1	OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@@H](C5)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O	24	0	0.680000000000000049	1	5	2	85.6700000000000017	83.8299999999999983	2	1.68999999999999995	1.90999999999999992	2.4700000000000002	1.81000000000000005	1.97999999999999998	-2.89000000000000012	0.428999999999999992	0.00129999999999999994	Soluble	-3.06999999999999984	0.283999999999999975	0.000859999999999999979	Soluble	-1.83000000000000007	4.90000000000000036	0.0148000000000000007	Soluble	High	No	Yes	No	No	No	No	No	-7.12000000000000011	0	0	0	0	0	0.560000000000000053
2406	348.389999999999986	C19H24O6	\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(=O)O3)[C@H]([C@H](C1)O)O	25	0	0.790000000000000036	1	6	3	87.2999999999999972	104.060000000000002	0.869999999999999996	0.699999999999999956	1.1100000000000001	1.75	1.32000000000000006	1.14999999999999991	-2.37999999999999989	1.46999999999999997	0.00421999999999999979	Soluble	-2.45999999999999996	1.19999999999999996	0.00343999999999999992	Soluble	-1.47999999999999998	11.5	0.0330000000000000016	Soluble	High	No	Yes	No	No	No	No	No	-7.92999999999999972	0	0	0	0	0	0.560000000000000053
2407	346.370000000000005	C19H22O6	\N	\N	1	OC(=O)[C@H]1[C@H]2C(=CC(=O)[C@@H]([C@@]2(C)C(=O)O)O)[C@H]2[C@]31CC(=C)[C@@H](C3)CC2	25	0	0.630000000000000004	2	6	3	88.4300000000000068	111.900000000000006	1.40999999999999992	1.19999999999999996	1.6399999999999999	1.57000000000000006	1.39999999999999991	1.44999999999999996	-2.60999999999999988	0.846999999999999975	0.00244999999999999992	Soluble	-3.14999999999999991	0.246999999999999997	0.000714000000000000008	Soluble	-1.40999999999999992	13.4000000000000004	0.0388000000000000012	Soluble	High	No	Yes	No	No	No	No	No	-7.55999999999999961	0	0	0	0	0	0.560000000000000053
2408	362.370000000000005	C19H22O7	\N	\N	1	OC(=O)[C@H]1[C@H]2C(=CC(=O)[C@@H]([C@@]2(C)C(=O)O)O)[C@H]2[C@]31CC(=C)[C@](C3)(O)CC2	26	0	0.630000000000000004	2	7	4	89.6299999999999955	132.129999999999995	0.75	-0.429999999999999993	0.760000000000000009	0.770000000000000018	0.910000000000000031	0.550000000000000044	-1.67999999999999994	7.5	0.0206999999999999997	Very soluble	-1.87999999999999989	4.78000000000000025	0.0131999999999999999	Very soluble	-1.04000000000000004	32.7000000000000028	0.0903999999999999942	Soluble	High	No	Yes	No	No	No	No	No	-8.82000000000000028	0	0	0	1	0	0.560000000000000053
2409	330.370000000000005	C19H22O5	\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[C@@]2(C)C(=O)O3	24	0	0.680000000000000049	1	5	2	85.7000000000000028	83.8299999999999983	1.96999999999999997	1.21999999999999997	2.06000000000000005	2.4700000000000002	2.20999999999999996	1.98999999999999999	-2.58999999999999986	0.846999999999999975	0.00256000000000000021	Soluble	-2.58000000000000007	0.873999999999999999	0.00263999999999999999	Soluble	-2.2799999999999998	1.73999999999999999	0.00525999999999999992	Soluble	High	No	Yes	No	No	No	No	No	-7.45000000000000018	0	0	0	0	0	0.560000000000000053
2411	286.449999999999989	C20H30O	\N	\N	1	O=C[C@]1(C)CCC[C@@]2([C@@H]1CC[C@@]13[C@H]2CC[C@H](C3)C(=C)C1)C	21	0	0.849999999999999978	1	1	0	88.7399999999999949	17.0700000000000003	3.27000000000000002	5.36000000000000032	5.15000000000000036	4.75	5.11000000000000032	4.73000000000000043	-4.92999999999999972	0.00338999999999999978	1.18000000000000005e-05	Moderately soluble	-5.46999999999999975	0.000966999999999999978	3.36999999999999992e-06	Moderately soluble	-4.70000000000000018	0.00578000000000000042	2.01999999999999997e-05	Moderately soluble	High	Yes	No	No	Yes	Yes	No	No	-4.24000000000000021	1	0	0	0	2	0.550000000000000044
2412	302.449999999999989	C20H30O2	\N	\N	1	C=C1C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)[C@@](C)(CCC1)C(=O)O)C	22	0	0.849999999999999978	1	2	1	90.3199999999999932	37.2999999999999972	2.93000000000000016	5.42999999999999972	5.04000000000000004	4.62999999999999989	4.33000000000000007	4.46999999999999975	-5.07000000000000028	0.0025699999999999998	8.50999999999999984e-06	Moderately soluble	-5.96999999999999975	0.000324999999999999985	1.06999999999999992e-06	Moderately soluble	-4.11000000000000032	0.0233000000000000013	7.71000000000000038e-05	Moderately soluble	High	Yes	No	No	Yes	Yes	No	No	-4.29000000000000004	1	0	0	0	1	0.560000000000000053
2413	318.449999999999989	C20H30O3	\N	\N	1	C=C1C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](C[C@@H]2O)[C@@](C)(CCC1)C(=O)O)C	23	0	0.849999999999999978	1	3	2	91.480000000000004	57.5300000000000011	2.70000000000000018	3.89999999999999991	4.00999999999999979	3.75	3.43000000000000016	3.56000000000000005	-4.20999999999999996	0.0198000000000000016	6.22999999999999964e-05	Moderately soluble	-4.80999999999999961	0.00496999999999999959	1.55999999999999997e-05	Moderately soluble	-3.29999999999999982	0.160000000000000003	0.000501999999999999951	Soluble	High	Yes	Yes	No	No	Yes	No	No	-5.46999999999999975	0	0	0	0	0	0.560000000000000053
2414	334.449999999999989	C20H30O4	\N	\N	1	C=C1C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H]([C@@H]([C@@H]2O)O)[C@@](C)(CCC1)C(=O)O)C	24	0	0.849999999999999978	1	4	3	92.6400000000000006	77.7600000000000051	2.33000000000000007	2.91999999999999993	2.97999999999999998	2.89999999999999991	2.5299999999999998	2.72999999999999998	-3.68999999999999995	0.0686999999999999972	0.000204999999999999996	Soluble	-4.20999999999999996	0.0204000000000000015	6.10999999999999944e-05	Moderately soluble	-2.47999999999999998	1.09000000000000008	0.0032699999999999999	Soluble	High	Yes	Yes	No	No	No	No	No	-6.26999999999999957	0	0	0	0	0	0.560000000000000053
2415	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	3.89000000000000012	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
2416	272.470000000000027	C20H32	\N	\N	1	CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCCC3(C)C)C	20	0	0.800000000000000044	1	0	0	90.4399999999999977	0	3.93999999999999995	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
2418	272.470000000000027	C20H32	\N	\N	1	CC(=C1CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCCC1(C)C)C	20	0	0.800000000000000044	0	0	0	90.4399999999999977	0	3.89999999999999991	6.58999999999999986	6.29000000000000004	5.82000000000000028	5.37000000000000011	5.58999999999999986	-5.67999999999999972	0.000568000000000000037	2.07999999999999999e-06	Moderately soluble	-6.38999999999999968	0.000111000000000000001	4.08000000000000001e-07	Poorly soluble	-5	0.00273999999999999981	1.00000000000000008e-05	Moderately soluble	Low	No	No	No	Yes	Yes	No	No	-3.2799999999999998	1	1	0	1	2	0.550000000000000044
2419	302.449999999999989	C20H30O2	\N	\N	1	CC(C1=CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O)C	22	0	0.75	2	2	1	92.2199999999999989	37.2999999999999972	3.0299999999999998	4.78000000000000025	5.20999999999999996	4.54000000000000004	4.15000000000000036	4.33999999999999986	-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
2420	302.449999999999989	C20H30O2	\N	\N	1	CC(=C1CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O)C	22	0	0.75	1	2	1	92.2199999999999989	37.2999999999999972	3.18000000000000016	5.11000000000000032	5.34999999999999964	4.54000000000000004	4.28000000000000025	4.49000000000000021	-4.87000000000000011	0.00408999999999999989	1.34999999999999995e-05	Moderately soluble	-5.63999999999999968	0.000697000000000000028	2.30999999999999991e-06	Moderately soluble	-3.9700000000000002	0.0321999999999999995	0.000106000000000000002	Soluble	High	Yes	No	No	Yes	Yes	No	No	-4.51999999999999957	1	0	0	0	1	0.560000000000000053
2421	290.480000000000018	C20H34O	\N	\N	1	C[C@@]1(O)CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CCCC1(C)C	21	0	1	0	1	1	90.2199999999999989	20.2300000000000004	3.54000000000000004	5.75	5.16999999999999993	5	4.63999999999999968	4.82000000000000028	-5.25999999999999979	0.00158000000000000002	5.45000000000000034e-06	Moderately soluble	-5.94000000000000039	0.000331000000000000023	1.1400000000000001e-06	Moderately soluble	-4.54999999999999982	0.00825999999999999998	2.83999999999999991e-05	Moderately soluble	High	Yes	No	Yes	No	Yes	No	No	-3.99000000000000021	1	0	0	0	2	0.550000000000000044
2422	272.470000000000027	C20H32	\N	\N	1	C=C1CC[C@]23CC1C[C@@H]2CC[C@@H]1[C@]3(C)CCCC1(C)C	20	0	0.900000000000000022	0	0	0	88.5400000000000063	0	3.72999999999999998	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
2423	272.470000000000027	C20H32	\N	\N	1	CC1=CC[C@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]3(C)CCCC1(C)C	20	0	0.900000000000000022	0	0	0	88.5400000000000063	0	3.75999999999999979	6.66999999999999993	5.98000000000000043	6.83999999999999986	5.15000000000000036	5.67999999999999972	-5.73000000000000043	0.000506000000000000048	1.85999999999999998e-06	Moderately soluble	-6.46999999999999975	9.17999999999999952e-05	3.37000000000000013e-07	Poorly soluble	-4.88999999999999968	0.0035100000000000001	1.29000000000000002e-05	Moderately soluble	Low	No	No	Yes	Yes	Yes	No	No	-3.22999999999999998	1	1	0	1	2	0.550000000000000044
2424	272.470000000000027	C20H32	\N	\N	1	C/C/1=C\\CC/C(=C/C/C=C(\\C=C\\[C@H](CC1)C(C)C)/C)/C	20	0	0.599999999999999978	1	0	0	94.2399999999999949	0	3.93999999999999995	6.04000000000000004	6.62000000000000011	5.62999999999999989	4.83999999999999986	5.41999999999999993	-5.26999999999999957	0.00146999999999999995	5.39000000000000006e-06	Moderately soluble	-5.82000000000000028	0.00041300000000000001	1.52000000000000006e-06	Moderately soluble	-4.32000000000000028	0.0131000000000000005	4.80999999999999969e-05	Moderately soluble	Low	No	No	No	Yes	Yes	No	Yes	-3.66999999999999993	1	1	0	1	2	0.550000000000000044
2426	586.629999999999995	C31H38O11	\N	\N	1	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C	42	6	0.609999999999999987	7	11	3	146.25	165.889999999999986	3.08000000000000007	1.19999999999999996	1.64999999999999991	1	2.45000000000000018	1.87999999999999989	-3.87999999999999989	0.077899999999999997	0.000133000000000000007	Soluble	-4.28000000000000025	0.030800000000000001	5.25000000000000022e-05	Moderately soluble	-4.38999999999999968	0.0240999999999999999	4.11000000000000029e-05	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-9.02999999999999936	2	3	1	1	2	0.170000000000000012
2427	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	1.67999999999999994	3.87999999999999989	5.74000000000000021	2.70999999999999996	3.08000000000000007	3.41999999999999993	-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
2428	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	2.06999999999999984	3.87999999999999989	5.74000000000000021	2.70999999999999996	3.08000000000000007	3.5	-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
2429	332.430000000000007	C20H28O4	\N	\N	1	O=C[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	24	0	0.800000000000000044	2	4	2	91.7199999999999989	74.5999999999999943	1.71999999999999997	2.18000000000000016	3.18999999999999995	2.81000000000000005	3.37999999999999989	2.64999999999999991	-3.14000000000000012	0.23899999999999999	0.000720000000000000045	Soluble	-3.37999999999999989	0.139000000000000012	0.000416999999999999999	Soluble	-3.18000000000000016	0.220000000000000001	0.000661000000000000021	Soluble	High	Yes	Yes	No	No	No	No	No	-6.78000000000000025	0	0	0	0	0	0.560000000000000053
2430	126.109999999999999	C6H6O3	\N	\N	1	O=c1ccoc(c1O)C	9	6	0.170000000000000012	0	3	1	31.9699999999999989	50.4399999999999977	1.46999999999999997	0.0899999999999999967	0.650000000000000022	-0.839999999999999969	1.3600000000000001	0.550000000000000044	-1.16999999999999993	8.49000000000000021	0.0672999999999999987	Very soluble	-0.699999999999999956	24.8999999999999986	0.198000000000000009	Very soluble	-1.70999999999999996	2.47999999999999998	0.0196999999999999988	Soluble	High	Yes	No	No	No	No	No	No	-7.00999999999999979	0	3	0	0	1	0.550000000000000044
2432	152.22999999999999	C10H16O	\N	\N	1	OCC1=CC[C@@H]2C[C@H]1C2(C)C	11	0	0.800000000000000044	1	1	1	46.3800000000000026	20.2300000000000004	2.41000000000000014	3.2200000000000002	1.96999999999999997	2.29999999999999982	2.14999999999999991	2.41000000000000014	-2.75	0.27300000000000002	0.00178999999999999992	Soluble	-3.31999999999999984	0.073300000000000004	0.000480999999999999982	Soluble	-1.68999999999999995	3.14000000000000012	0.0206999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-4.94000000000000039	0	1	0	0	2	0.550000000000000044
2433	150.219999999999999	C10H14O	\N	\N	1	O=CC1=CC[C@@H]2C[C@H]1C2(C)C	11	0	0.699999999999999956	1	1	0	45.4200000000000017	17.0700000000000003	2.08000000000000007	2.97999999999999998	2.18000000000000016	2.20000000000000018	2.45000000000000018	2.37999999999999989	-2.58000000000000007	0.393000000000000016	0.00260999999999999991	Soluble	-3	0.149999999999999994	0.000995000000000000008	Soluble	-1.80000000000000004	2.37000000000000011	0.0158000000000000015	Soluble	High	Yes	No	No	No	No	No	No	-5.09999999999999964	0	1	0	0	2	0.550000000000000044
2434	166.219999999999999	C10H14O2	\N	\N	1	OC(=O)C1=CC[C@@H]2C[C@H]1C2(C)C	12	0	0.699999999999999956	1	2	1	46.990000000000002	37.2999999999999972	1.87000000000000011	3.04000000000000004	2.06000000000000005	2.08000000000000007	1.66999999999999993	2.14000000000000012	-2.7200000000000002	0.317000000000000004	0.00191000000000000002	Soluble	-3.49000000000000021	0.0539000000000000035	0.000324000000000000015	Soluble	-1.23999999999999999	9.60999999999999943	0.0577999999999999972	Soluble	High	Yes	No	No	No	No	No	No	-5.16000000000000014	0	0	0	0	1	0.560000000000000053
2435	152.22999999999999	C10H16O	\N	\N	1	C=C1[C@H](O)C[C@@H]2C[C@H]1C2(C)C	11	0	0.800000000000000044	0	1	1	46.3800000000000026	20.2300000000000004	2.29999999999999982	1.79000000000000004	1.96999999999999997	2.29999999999999982	2.14999999999999991	2.10000000000000009	-1.90999999999999992	1.87000000000000011	0.0123000000000000002	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
2436	152.22999999999999	C10H16O	\N	\N	1	C[C@@H]1CC[C@@H](C(=O)C1)C(=C)C	11	0	0.699999999999999956	1	1	0	47.7999999999999972	17.0700000000000003	2.20999999999999996	2.83999999999999986	2.56999999999999984	2.20000000000000018	2.64999999999999991	2.49000000000000021	-2.50999999999999979	0.473999999999999977	0.00310999999999999992	Soluble	-2.85999999999999988	0.211999999999999994	0.00138999999999999996	Soluble	-2.18000000000000016	1.01000000000000001	0.00664000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-5.20999999999999996	0	1	0	0	2	0.550000000000000044
2437	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	2.37000000000000011	3.04999999999999982	2.64999999999999991	2.29999999999999982	2.64000000000000012	2.60000000000000009	-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
2438	300.439999999999998	C20H28O2	\N	\N	1	OC(=O)[C@]1(C)CCC[C@]2([C@H]1CCc1c2ccc(c1)C(C)C)C	22	6	0.650000000000000022	2	2	1	91.3799999999999955	37.2999999999999972	3.06000000000000005	4.79999999999999982	4.90000000000000036	4.45000000000000018	4.91000000000000014	4.41999999999999993	-4.79999999999999982	0.00479999999999999958	1.59999999999999993e-05	Moderately soluble	-5.32000000000000028	0.0014499999999999999	4.84000000000000025e-06	Moderately soluble	-5.32000000000000028	0.00143000000000000006	4.76000000000000017e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	No	No	-4.71999999999999975	1	0	0	0	0	0.560000000000000053
2439	913.100000000000023	C47H76O17	\N	\N	1	OC[C@@]1(C)[C@H](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)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O	64	0	0.939999999999999947	8	17	10	227.840000000000003	274.75	3.83999999999999986	2.43000000000000016	1.34000000000000008	-0.839999999999999969	-0.200000000000000011	1.32000000000000006	-6.5	0.000286000000000000013	3.1300000000000001e-07	Poorly soluble	-7.83999999999999986	1.30999999999999999e-05	1.43999999999999999e-08	Poorly soluble	-0.810000000000000053	143	0.156	Soluble	Low	No	Yes	No	No	No	No	No	-10.1400000000000006	3	3	1	1	5	0.110000000000000001
2441	757.669999999999959	C36H37O18	\N	\N	1	OC[C@@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](COC(=O)/C=C/c4ccc(cc4)O)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2ccc(c(c2)O)O)[C@H]([C@H]([C@@H]1O)O)O	54	22	0.330000000000000016	11	18	11	181.789999999999992	298.889999999999986	-3.5299999999999998	0.0800000000000000017	-0.280000000000000027	-2.85000000000000009	-2.31999999999999984	-1.78000000000000003	-4.16000000000000014	0.0519999999999999976	6.86000000000000005e-05	Moderately soluble	-5.91000000000000014	0.000930000000000000054	1.23000000000000008e-06	Moderately soluble	-1.21999999999999997	45.7999999999999972	0.0604000000000000023	Soluble	Low	No	Yes	No	No	No	No	No	-10.8599999999999994	3	3	2	1	4	0.170000000000000012
2442	254.240000000000009	C15H10O4	\N	\N	1	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2)O	19	16	0	1	4	2	71.9699999999999989	70.6700000000000017	1.78000000000000003	3.25999999999999979	2.87000000000000011	1.08000000000000007	3.02000000000000002	2.39999999999999991	-4.03000000000000025	0.0239000000000000011	9.39000000000000056e-05	Moderately soluble	-4.41999999999999993	0.00970999999999999988	3.82000000000000002e-05	Moderately soluble	-4.98000000000000043	0.00263999999999999999	1.04000000000000004e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.54000000000000004	0	0	0	0	0	0.550000000000000044
2443	274.269999999999982	C15H14O5	\N	\N	1	Oc1ccc(cc1)[C@@H]1C[C@H](O)c2c(O1)cc(cc2O)O	20	12	0.200000000000000011	1	5	4	72.3100000000000023	90.1500000000000057	1.6100000000000001	1.6399999999999999	1.70999999999999996	0.790000000000000036	1.46999999999999997	1.43999999999999995	-2.95000000000000018	0.306999999999999995	0.0011199999999999999	Soluble	-3.14999999999999991	0.196000000000000008	0.000714000000000000008	Soluble	-2.7200000000000002	0.519000000000000017	0.00188999999999999997	Soluble	High	No	Yes	No	No	No	No	No	-6.80999999999999961	0	0	0	0	0	0.550000000000000044
2444	268.259999999999991	C16H12O4	\N	\N	1	COc1ccc2c(c1)occ(c2=O)c1ccc(cc1)O	20	16	0.0599999999999999978	2	4	1	76.4300000000000068	59.6700000000000017	2.41999999999999993	2.79999999999999982	3.16999999999999993	1.33000000000000007	3.52000000000000002	2.64999999999999991	-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
2445	306.269999999999982	C15H14O7	\N	\N	1	Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@H](Cc2c(c1)O)O	22	12	0.200000000000000011	1	7	6	76.3599999999999994	130.610000000000014	1.46999999999999997	0	0.930000000000000049	-0.28999999999999998	0.489999999999999991	0.520000000000000018	-2.08000000000000007	2.56999999999999984	0.00838999999999999989	Soluble	-2.29000000000000004	1.56000000000000005	0.00508000000000000031	Soluble	-1.56000000000000005	8.41999999999999993	0.0275000000000000001	Soluble	High	No	No	No	No	No	No	No	-8.16999999999999993	1	0	0	0	1	0.550000000000000044
2447	286.240000000000009	C15H10O6	\N	\N	1	Oc1ccc(c(c1)O)c1coc2c(c1=O)c(O)cc(c2)O	21	16	0	1	6	4	76.0100000000000051	111.129999999999995	1.47999999999999998	2.31000000000000005	2.2799999999999998	-0.0299999999999999989	2.0299999999999998	1.62000000000000011	-3.56999999999999984	0.0773999999999999966	0.000270999999999999974	Soluble	-4.28000000000000025	0.0149999999999999994	5.22000000000000017e-05	Moderately soluble	-3.81999999999999984	0.0429000000000000006	0.000149999999999999987	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.41000000000000014	0	0	0	0	0	0.550000000000000044
2448	300.259999999999991	C16H12O6	\N	\N	1	COc1ccc(c(c1)O)c1coc2c(c1=O)c(O)cc(c2)O	22	16	0.0599999999999999978	2	6	3	80.480000000000004	100.129999999999995	2.18000000000000016	2.64000000000000012	2.58999999999999986	0.220000000000000001	2.54999999999999982	2.04000000000000004	-3.77000000000000002	0.0509000000000000008	0.000168999999999999988	Soluble	-4.38999999999999968	0.0120999999999999996	4.03999999999999994e-05	Moderately soluble	-4.51999999999999957	0.00906999999999999994	3.01999999999999988e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-6.25999999999999979	0	0	0	0	0	0.550000000000000044
2449	306.269999999999982	C15H14O7	\N	\N	1	Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@@H](Cc2c(c1)O)O	22	12	0.200000000000000011	1	7	6	76.3599999999999994	130.610000000000014	0.979999999999999982	0	0.930000000000000049	-0.28999999999999998	0.489999999999999991	0.419999999999999984	-2.08000000000000007	2.56999999999999984	0.00838999999999999989	Soluble	-2.29000000000000004	1.56000000000000005	0.00508000000000000031	Soluble	-1.56000000000000005	8.41999999999999993	0.0275000000000000001	Soluble	High	No	No	No	No	No	No	No	-8.16999999999999993	1	0	0	0	1	0.550000000000000044
2450	433.389999999999986	C21H21O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	31	16	0.28999999999999998	4	10	7	106.269999999999996	173.210000000000008	-1.91999999999999993	-0.680000000000000049	0.680000000000000049	-1.27000000000000002	-1.43999999999999995	-0.930000000000000049	-2.2200000000000002	2.62999999999999989	0.00606999999999999987	Soluble	-2.47999999999999998	1.42999999999999994	0.00328999999999999996	Soluble	-1.52000000000000002	13	0.0298999999999999995	Soluble	Low	No	No	No	No	No	No	No	-9.42999999999999972	1	0	1	1	2	0.550000000000000044
2451	465.379999999999995	C21H21O12	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2cc(O)c(c(c2)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	33	16	0.28999999999999998	4	12	9	110.319999999999993	213.669999999999987	-2.83000000000000007	-1.3899999999999999	0.0899999999999999967	-2.25	-2.37999999999999989	-1.75	-1.93999999999999995	5.29000000000000004	0.0114000000000000004	Very soluble	-2.60000000000000009	1.17999999999999994	0.00254000000000000016	Soluble	-0.340000000000000024	211	0.454000000000000015	Soluble	Low	No	No	No	No	No	No	No	-10.1300000000000008	2	0	1	1	3	0.170000000000000012
2452	479.410000000000025	C22H23O12	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2cc(O)c(c(c2)OC)O)O)[C@@H]([C@H]([C@@H]1O)O)O	34	16	0.320000000000000007	5	12	8	114.790000000000006	202.669999999999987	-1.59000000000000008	-1.06000000000000005	0.390000000000000013	-2.0299999999999998	-1.84000000000000008	-1.22999999999999998	-2.16000000000000014	3.29999999999999982	0.00687000000000000024	Soluble	-2.70999999999999996	0.940999999999999948	0.00195999999999999994	Soluble	-1.03000000000000003	44.7000000000000028	0.093299999999999994	Soluble	Low	No	No	No	No	No	No	No	-9.98000000000000043	2	0	1	1	3	0.170000000000000012
2453	493.439999999999998	C23H25O12	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2cc(OC)c(c(c2)OC)O)O)[C@@H]([C@H]([C@@H]1O)O)O	35	16	0.349999999999999978	6	12	7	119.260000000000005	191.669999999999987	-1.04000000000000004	-0.739999999999999991	0.689999999999999947	-1.82000000000000006	-1.29000000000000004	-0.839999999999999969	-2.37999999999999989	2.08000000000000007	0.0042100000000000002	Soluble	-2.81000000000000005	0.767000000000000015	0.00154999999999999995	Soluble	-1.71999999999999997	9.47000000000000064	0.0191999999999999983	Soluble	Low	No	No	No	No	No	No	No	-9.83999999999999986	2	1	1	1	3	0.170000000000000012
2454	204.349999999999994	C15H24	\N	\N	1	CC(=C)[C@@H]1CC[C@]2(C1)[C@H](C)CCC=C2C	15	0	0.729999999999999982	1	0	0	68.7800000000000011	0	3.31999999999999984	5.34999999999999964	4.73000000000000043	4.62999999999999989	4.13999999999999968	4.42999999999999972	-4.41000000000000014	0.00791999999999999996	3.88000000000000012e-05	Moderately soluble	-5.09999999999999964	0.0016100000000000001	7.89000000000000069e-06	Moderately soluble	-3.54999999999999982	0.0579000000000000001	0.000282999999999999994	Soluble	Low	No	No	No	Yes	Yes	No	No	-3.75	1	0	0	0	2	0.550000000000000044
2455	271.310000000000002	C16H17NO3	\N	\N	1	O[C@H]1C=C[C@@]23[C@@H](C1)N(CC2)Cc1c3cc2OCOc2c1	20	6	0.5	0	4	1	77.1299999999999955	41.9299999999999997	2.56999999999999984	1.70999999999999996	1.03000000000000003	1.90999999999999992	1.78000000000000003	1.80000000000000004	-2.81999999999999984	0.408999999999999975	0.00151000000000000006	Soluble	-2.20999999999999996	1.68999999999999995	0.00621999999999999983	Soluble	-2.45999999999999996	0.938999999999999946	0.00345999999999999997	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.74000000000000021	0	0	0	0	0	0.550000000000000044
2456	273.329999999999984	C16H19NO3	\N	\N	1	COc1ccc2c3c1O[C@@H]1[C@@]3(CCNC2)C=C[C@@H](C1)O	20	6	0.5	1	4	2	79.1500000000000057	50.7199999999999989	2.49000000000000021	1.37000000000000011	0.979999999999999982	1.5	2.10999999999999988	1.68999999999999995	-2.54999999999999982	0.764000000000000012	0.00278999999999999995	Soluble	-2.04000000000000004	2.5	0.00915999999999999974	Soluble	-3.29000000000000004	0.140000000000000013	0.000511999999999999977	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.99000000000000021	0	0	0	0	0	0.550000000000000044
2457	331.360000000000014	C18H21NO5	\N	\N	1	CO[C@@H]1C=C[C@@]23[C@H](C1)N(C)C[C@]3(O)OCc1c2cc2OCOc2c1	24	6	0.560000000000000053	1	6	1	88.9500000000000028	60.3900000000000006	3.06999999999999984	1.04000000000000004	0.630000000000000004	1.14999999999999991	1.44999999999999996	1.46999999999999997	-2.66999999999999993	0.710999999999999965	0.00213999999999999998	Soluble	-1.89999999999999991	4.19000000000000039	0.0126000000000000001	Very soluble	-2.68000000000000016	0.695999999999999952	0.00209999999999999987	Soluble	High	No	No	No	No	No	Yes	No	-7.58000000000000007	0	0	0	0	0	0.550000000000000044
2458	959.700000000000045	C31H44N7O20P3S	\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)O	62	15	0.479999999999999982	25	23	11	212.669999999999987	468.050000000000011	0.930000000000000049	-4.29999999999999982	-0.630000000000000004	-4.82000000000000028	-3.5299999999999998	-2.4700000000000002	-1.6100000000000001	23.5	0.0245000000000000009	Very soluble	-4.91999999999999993	0.0115999999999999992	1.20999999999999993e-05	Moderately soluble	-0.550000000000000044	270	0.281000000000000028	Soluble	Low	No	Yes	No	No	No	No	No	-15.2100000000000009	3	4	2	1	6	0.110000000000000001
2460	196.199999999999989	C10H12O4	\N	\N	1	OC/C=C/c1cc(O)c(c(c1)OC)O	14	6	0.200000000000000011	3	4	3	53.0399999999999991	69.9200000000000017	1.96999999999999997	0.939999999999999947	1	0.550000000000000044	1.23999999999999999	1.1399999999999999	-1.77000000000000002	3.35000000000000009	0.0171000000000000006	Very soluble	-1.98999999999999999	1.97999999999999998	0.0100999999999999996	Very soluble	-1.30000000000000004	9.85999999999999943	0.0502000000000000016	Soluble	High	No	No	No	No	No	No	No	-6.83000000000000007	0	0	0	0	1	0.550000000000000044
2461	166.169999999999987	C9H10O3	\N	\N	1	OC/C=C/c1ccc(c(c1)O)O	12	6	0.110000000000000001	2	3	3	46.5499999999999972	60.6899999999999977	1.54000000000000004	1.05000000000000004	0.989999999999999991	0.82999999999999996	1.19999999999999996	1.12000000000000011	-1.77000000000000002	2.81999999999999984	0.0170000000000000012	Very soluble	-1.91999999999999993	2.02000000000000002	0.0122000000000000008	Very soluble	-1.15999999999999992	11.5	0.0693000000000000005	Soluble	High	Yes	No	No	No	No	No	No	-6.57000000000000028	0	0	0	0	1	0.550000000000000044
2462	348.370000000000005	C21H18NO4	\N	\N	1	COc1c(OC)ccc2c1c[n+](C)c1c2ccc2c1cc1OCOc1c2	26	18	0.190000000000000002	2	4	0	101.599999999999994	40.7999999999999972	0.220000000000000001	4.58000000000000007	3.7200000000000002	2.5299999999999998	4.08000000000000007	3.02000000000000002	-5.26999999999999957	0.00188999999999999997	5.41999999999999978e-06	Moderately soluble	-5.16000000000000014	0.00240999999999999982	6.90999999999999991e-06	Moderately soluble	-6.58999999999999986	9.0199999999999997e-05	2.58999999999999977e-07	Poorly soluble	High	Yes	Yes	Yes	Yes	Yes	No	Yes	-5.16999999999999993	0	0	0	0	0	0.550000000000000044
2463	353.370000000000005	C20H19NO5	\N	\N	1	CN1Cc2c([C@@H]3[C@H]1c1cc4OCOc4cc1C[C@@H]3O)ccc1c2OCO1	26	12	0.400000000000000022	0	6	1	96.1200000000000045	60.3900000000000006	3.2799999999999998	2.16000000000000014	1.46999999999999997	1.97999999999999998	2.4700000000000002	2.27000000000000002	-3.72999999999999998	0.0652999999999999969	0.000184999999999999997	Soluble	-3.06000000000000005	0.306999999999999995	0.000868999999999999981	Soluble	-4.21999999999999975	0.0213999999999999989	6.06999999999999982e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	Yes	-6.91999999999999993	0	0	0	0	0	0.550000000000000044
2464	448.379999999999995	C21H20O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	32	16	0.28999999999999998	4	11	7	108.129999999999995	190.280000000000001	1.29000000000000004	0.719999999999999973	-0.239999999999999991	-2.10000000000000009	-0.119999999999999996	-0.0899999999999999967	-3.18000000000000016	0.296999999999999986	0.000661000000000000021	Soluble	-4.29000000000000004	0.0228000000000000008	5.08000000000000015e-05	Moderately soluble	-2.10000000000000009	3.54999999999999982	0.00791000000000000036	Soluble	Low	No	No	No	No	No	No	No	-8.51999999999999957	2	0	1	1	3	0.170000000000000012
2466	192.300000000000011	C13H20O	\N	\N	1	CC(=O)/C=C/C1=C(C)CCCC1(C)C	14	0	0.619999999999999996	2	1	0	61.4799999999999969	17.0700000000000003	2.75	2.91000000000000014	3.66000000000000014	2.93999999999999995	3.81000000000000005	3.20999999999999996	-2.72999999999999998	0.354999999999999982	0.00185000000000000008	Soluble	-2.93000000000000016	0.226000000000000006	0.00118000000000000006	Soluble	-3.10000000000000009	0.153999999999999998	0.000801999999999999979	Soluble	High	Yes	No	No	No	No	No	No	-5.41000000000000014	0	0	0	0	2	0.550000000000000044
2467	196.289999999999992	C12H20O2	\N	\N	1	CC(=O)OC([C@H]1CCC(=CC1)C)(C)C	14	0	0.75	3	2	0	58.5300000000000011	26.3000000000000007	2.89999999999999991	3.95999999999999996	3.06999999999999984	2.64999999999999991	2.60000000000000009	3.04000000000000004	-3.35000000000000009	0.086900000000000005	0.00044299999999999998	Soluble	-4.20999999999999996	0.0120000000000000002	6.12999999999999992e-05	Moderately soluble	-2.35999999999999988	0.860999999999999988	0.00438999999999999981	Soluble	High	Yes	No	No	No	Yes	No	No	-4.69000000000000039	0	0	0	0	1	0.550000000000000044
2468	196.289999999999992	C12H20O2	\N	\N	1	CC(=O)O[C@]1(C)CC[C@@H](CC1)C(=C)C	14	0	0.75	3	2	0	58.5300000000000011	26.3000000000000007	2.89000000000000012	3.08999999999999986	3.06999999999999984	2.64999999999999991	2.89000000000000012	2.91999999999999993	-2.81000000000000005	0.306999999999999995	0.00155999999999999997	Soluble	-3.31000000000000005	0.0961000000000000049	0.000489999999999999984	Soluble	-2.60999999999999988	0.485999999999999988	0.00248	Soluble	High	Yes	No	No	No	Yes	No	No	-5.29999999999999982	0	0	0	0	1	0.550000000000000044
2469	196.289999999999992	C12H20O2	\N	\N	1	CC(=O)OC1(C)CCC(=C(C)C)CC1	14	0	0.75	2	2	0	58.5300000000000011	26.3000000000000007	2.95999999999999996	2.70000000000000018	3.2200000000000002	2.64999999999999991	3	2.91000000000000014	-2.62999999999999989	0.464000000000000024	0.00237000000000000014	Soluble	-2.91000000000000014	0.243999999999999995	0.00124	Soluble	-2.81000000000000005	0.304999999999999993	0.00155999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-5.58000000000000007	0	0	0	0	1	0.550000000000000044
2470	346.420000000000016	C20H26O5	\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)OC3	25	0	0.800000000000000044	1	5	2	90.6899999999999977	83.8299999999999983	2.00999999999999979	1.62000000000000011	2.5299999999999998	2.79000000000000004	2.85000000000000009	2.35999999999999988	-2.93999999999999995	0.396000000000000019	0.00113999999999999995	Soluble	-2.99000000000000021	0.35199999999999998	0.00102000000000000007	Soluble	-3.02000000000000002	0.334000000000000019	0.000964000000000000013	Soluble	High	No	Yes	No	No	No	No	No	-7.25999999999999979	0	0	0	0	0	0.560000000000000053
2471	377.480000000000018	C24H27NO3	\N	\N	1	COc1cccc2c1c(OC)cc(c2c1ccc2c(c1O)[C@@H](C)N[C@@H](C2)C)C	28	16	0.330000000000000016	3	4	2	118.310000000000002	50.7199999999999989	3.93000000000000016	4.99000000000000021	4.42999999999999972	3.20999999999999996	5.26999999999999957	4.37000000000000011	-5.54999999999999982	0.00106999999999999999	2.83000000000000001e-06	Moderately soluble	-5.79000000000000004	0.000605999999999999985	1.61000000000000004e-06	Moderately soluble	-7.79000000000000004	6.08000000000000023e-06	1.60999999999999986e-08	Poorly soluble	High	Yes	Yes	No	Yes	No	Yes	Yes	-5.05999999999999961	0	0	0	0	0	0.550000000000000044
2473	379.449999999999989	C23H25NO4	\N	\N	1	COc1cc(C)cc2c1c(O)ccc2c1c(O)cc(c2c1C[C@@H](C)N[C@@H]2C)O	28	16	0.299999999999999989	2	5	4	115.870000000000005	81.9500000000000028	3.43999999999999995	4.30999999999999961	3.83000000000000007	2.43999999999999995	4.24000000000000021	3.64999999999999991	-5.20000000000000018	0.00239999999999999979	6.33000000000000038e-06	Moderately soluble	-5.74000000000000021	0.000683000000000000013	1.79999999999999992e-06	Moderately soluble	-6.50999999999999979	0.000116000000000000001	3.06000000000000014e-07	Poorly soluble	High	No	Yes	No	Yes	No	No	No	-5.54999999999999982	0	0	0	0	0	0.550000000000000044
2474	379.449999999999989	C23H25NO4	\N	\N	1	OCc1cc(OC)c2c(c1c1ccc3c(c1O)[C@@H](C)N[C@@H](C3)C)cccc2O	28	16	0.299999999999999989	3	5	4	115.010000000000005	81.9500000000000028	3.39999999999999991	3.41000000000000014	3.16000000000000014	2.16999999999999993	4.11000000000000032	3.25	-4.57000000000000028	0.0103000000000000001	2.72000000000000005e-05	Moderately soluble	-4.80999999999999961	0.00587000000000000022	1.55000000000000007e-05	Moderately soluble	-6.53000000000000025	0.000111000000000000001	2.94000000000000012e-07	Poorly soluble	High	No	Yes	No	Yes	No	Yes	No	-6.19000000000000039	0	0	0	0	0	0.550000000000000044
2475	421.529999999999973	C26H31NO4	\N	\N	1	COc1cc2C[C@H](C)N([C@@H](c2c(c1c1c(C)cc2c(c1O)c(OC)ccc2)OC)C)C	31	16	0.380000000000000004	4	5	1	129.710000000000008	51.1599999999999966	4.30999999999999961	5.42999999999999972	4.78000000000000025	3.06000000000000005	5.29000000000000004	4.58000000000000007	-5.99000000000000021	0.000429000000000000019	1.01999999999999998e-06	Moderately soluble	-6.25999999999999979	0.000232000000000000001	5.48999999999999953e-07	Poorly soluble	-7.54999999999999982	1.16999999999999998e-05	2.78999999999999984e-08	Poorly soluble	High	Yes	Yes	No	No	No	No	No	-5.01999999999999957	0	0	0	0	1	0.550000000000000044
2476	141.210000000000008	C8H15NO	\N	\N	1	OC[C@@H]1CCN2[C@H]1CCC2	10	0	1	1	2	1	44.3100000000000023	23.4699999999999989	1.87999999999999989	0.520000000000000018	0.0800000000000000017	0.900000000000000022	0.890000000000000013	0.849999999999999978	-0.979999999999999982	14.9000000000000004	0.104999999999999996	Very soluble	-0.57999999999999996	36.7999999999999972	0.26100000000000001	Very soluble	-0.5	44.8999999999999986	0.318000000000000005	Soluble	High	No	No	No	No	No	No	No	-6.79000000000000004	0	1	0	0	1	0.550000000000000044
2477	199.25	C10H17NO3	\N	\N	1	COC(=O)[C@H]1[C@@H](O)C[C@@H]2N([C@H]1CC2)C	14	0	0.900000000000000022	2	4	1	55.2100000000000009	49.7700000000000031	2.29000000000000004	0.619999999999999996	-0.380000000000000004	0.46000000000000002	0.0100000000000000002	0.599999999999999978	-1.33000000000000007	9.24000000000000021	0.0463999999999999968	Very soluble	-1.23999999999999999	11.5	0.0575999999999999984	Very soluble	-0.130000000000000004	149	0.745999999999999996	Soluble	High	No	No	No	No	No	No	No	-7.08000000000000007	0	0	0	0	1	0.550000000000000044
2478	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	1.21999999999999997	-1.80000000000000004	-0.469999999999999973	0.149999999999999994	-0.479999999999999982	-0.280000000000000027	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
2479	934.740000000000009	C30H49N8O18P3S	\N	\N	1	O=C(NCCSC(=O)[C@@H]1[C@@H](O)C[C@@H]2N([C@H]1CC2)C)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	9	0.729999999999999982	23	22	10	209.909999999999997	441.829999999999984	-2.16000000000000014	-7.23000000000000043	-2.18999999999999995	-4.83999999999999986	-5.08999999999999986	-4.29999999999999982	0.330000000000000016	1980	2.12000000000000011	Highly soluble	-1.33000000000000007	44	0.047100000000000003	Very soluble	0.819999999999999951	6250	6.67999999999999972	Soluble	Low	No	Yes	No	No	No	No	No	-17.1400000000000006	3	4	2	1	6	0.110000000000000001
2481	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	2.2200000000000002	1.33000000000000007	0.790000000000000036	1.31000000000000005	0.910000000000000031	1.31000000000000005	-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
2482	532.450000000000045	C25H24O13	\N	\N	1	COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]1O)O)O	38	16	0.320000000000000007	9	13	5	126.900000000000006	202.419999999999987	2.24000000000000021	0.910000000000000031	0.380000000000000004	-1.55000000000000004	0.75	0.550000000000000044	-3.43000000000000016	0.197000000000000008	0.000369999999999999995	Soluble	-4.75	0.00954999999999999946	1.79000000000000014e-05	Moderately soluble	-3.33000000000000007	0.25	0.000469000000000000016	Soluble	Low	No	Yes	No	No	No	No	No	-8.90000000000000036	2	1	1	1	2	0.110000000000000001
2483	448.379999999999995	C21H20O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@H]1O)O)O	32	16	0.28999999999999998	4	11	7	108.129999999999995	190.280000000000001	1.43999999999999995	0.719999999999999973	-0.239999999999999991	-2.10000000000000009	-0.119999999999999996	-0.0599999999999999978	-3.18000000000000016	0.296999999999999986	0.000661000000000000021	Soluble	-4.29000000000000004	0.0228000000000000008	5.08000000000000015e-05	Moderately soluble	-2.10000000000000009	3.54999999999999982	0.00791000000000000036	Soluble	Low	No	No	No	No	No	No	No	-8.51999999999999957	2	0	1	1	3	0.170000000000000012
2484	578.519999999999982	C27H30O14	\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]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	41	16	0.440000000000000002	6	14	8	137.330000000000013	228.969999999999999	1.31000000000000005	-0.160000000000000003	-1.10000000000000009	-2.95999999999999996	-1.16999999999999993	-0.810000000000000053	-3.2200000000000002	0.349999999999999978	0.000604000000000000045	Soluble	-4.19000000000000039	0.0369999999999999982	6.39999999999999971e-05	Moderately soluble	-1.47999999999999998	19.1999999999999993	0.0330999999999999975	Soluble	Low	No	Yes	No	No	No	No	No	-9.9399999999999995	3	4	1	1	3	0.170000000000000012
2485	578.519999999999982	C27H30O14	\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)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O	41	16	0.440000000000000002	5	14	9	137.830000000000013	239.969999999999999	1.77000000000000002	-0.890000000000000013	-1.37999999999999989	-3.35999999999999988	-1.18999999999999995	-1.01000000000000001	-2.81999999999999984	0.865999999999999992	0.00150000000000000003	Soluble	-3.66999999999999993	0.125	0.000214999999999999995	Soluble	-1.16999999999999993	39.6000000000000014	0.0684000000000000025	Soluble	Low	No	Yes	No	No	No	No	No	-10.4600000000000009	3	4	1	1	3	0.170000000000000012
2486	592.549999999999955	C28H32O14	\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(OC)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O	42	16	0.46000000000000002	6	14	8	142.300000000000011	228.969999999999999	3.04000000000000004	-0.560000000000000053	-1.08000000000000007	-3.16000000000000014	-0.640000000000000013	-0.479999999999999982	-3.04999999999999982	0.532000000000000028	0.000898000000000000035	Soluble	-3.7799999999999998	0.0986999999999999961	0.000166999999999999994	Soluble	-1.85000000000000009	8.39000000000000057	0.0142000000000000008	Soluble	Low	No	Yes	No	No	No	No	No	-10.3100000000000005	3	4	1	1	3	0.170000000000000012
2487	594.519999999999982	C27H30O15	\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[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	42	16	0.440000000000000002	6	15	9	139.360000000000014	249.199999999999989	1.35000000000000009	0.359999999999999987	-1.3899999999999999	-3.43000000000000016	-1.6399999999999999	-0.949999999999999956	-3.64000000000000012	0.137000000000000011	0.000230000000000000007	Soluble	-5.16000000000000014	0.00412999999999999999	6.95000000000000037e-06	Moderately soluble	-0.880000000000000004	77.7000000000000028	0.131000000000000005	Soluble	Low	No	Yes	No	No	No	No	No	-9.66999999999999993	3	4	1	1	3	0.170000000000000012
2489	638.480000000000018	C27H26O18	\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[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	45	16	0.369999999999999996	7	18	10	141.740000000000009	303.569999999999993	0.839999999999999969	-0.369999999999999996	-2.24000000000000021	-4.12999999999999989	-3.12000000000000011	-1.80000000000000004	-3.37000000000000011	0.274000000000000021	0.000429999999999999989	Soluble	-5.54000000000000004	0.00183000000000000003	2.87000000000000005e-06	Moderately soluble	0.650000000000000022	2820	4.41999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-10.4600000000000009	3	4	1	1	4	0.110000000000000001
2737	170.25	C10H18O2	\N	\N	1	OC/C=C(/CC/C=C(/CO)\\C)\\C	12	0	0.599999999999999978	5	2	2	51.5600000000000023	40.4600000000000009	2.45000000000000018	2.31000000000000005	1.6399999999999999	1.65999999999999992	1.81000000000000005	1.97999999999999998	-2.02000000000000002	1.62000000000000011	0.00953000000000000028	Soluble	-2.79999999999999982	0.271000000000000019	0.00159000000000000005	Soluble	-1.30000000000000004	8.57000000000000028	0.0504000000000000004	Soluble	High	Yes	No	No	No	No	No	No	-5.70000000000000018	0	0	0	0	1	0.550000000000000044
2490	332.259999999999991	C16H12O8	\N	\N	1	COc1cc(cc(c1O)O)c1oc2cc(O)cc(c2c(=O)c1O)O	24	16	0.0599999999999999978	2	8	5	84.5300000000000011	140.590000000000003	2.24000000000000021	1.51000000000000001	2	-0.82999999999999996	1.59000000000000008	1.30000000000000004	-3.20999999999999996	0.203999999999999987	0.000613000000000000047	Soluble	-4.07000000000000028	0.0281999999999999994	8.50000000000000061e-05	Moderately soluble	-3.35000000000000009	0.146999999999999992	0.00044299999999999998	Soluble	Low	No	No	Yes	No	No	Yes	Yes	-7.25	0	0	1	1	0	0.550000000000000044
2491	610.519999999999982	C27H30O16	\N	\N	1	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)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	43	16	0.440000000000000002	7	16	10	140.52000000000001	269.430000000000007	1.23999999999999999	-0.880000000000000004	-2.41999999999999993	-4.16000000000000014	-2.24000000000000021	-1.68999999999999995	-2.87999999999999989	0.797000000000000042	0.00130999999999999997	Soluble	-4.29999999999999982	0.0309000000000000004	5.05999999999999967e-05	Moderately soluble	-0.309999999999999998	302	0.493999999999999995	Soluble	Low	No	Yes	No	No	No	No	No	-10.6500000000000004	3	4	1	1	4	0.170000000000000012
2492	772.659999999999968	C33H40O21	\N	\N	1	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@H]([C@H]([C@@H]1O)O)O[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)O)O)O	54	16	0.550000000000000044	10	21	13	172.900000000000006	348.579999999999984	1.8600000000000001	-2.4700000000000002	-4.59999999999999964	-6.20000000000000018	-4.33999999999999986	-3.14999999999999991	-2.62999999999999989	1.80000000000000004	0.00232000000000000001	Soluble	-4.30999999999999961	0.0379999999999999991	4.92000000000000033e-05	Moderately soluble	1.54000000000000004	26600	34.3999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-12.7699999999999996	3	4	1	1	5	0.170000000000000012
2493	550.419999999999959	C24H22O15	\N	\N	1	OC(=O)CC(=O)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	39	16	0.28999999999999998	8	15	8	126.469999999999999	253.879999999999995	1.54000000000000004	0.0800000000000000017	-0.510000000000000009	-2.70000000000000018	-0.729999999999999982	-0.46000000000000002	-3.08000000000000007	0.459000000000000019	0.000833999999999999997	Soluble	-4.96999999999999975	0.00596000000000000002	1.07999999999999999e-05	Moderately soluble	-1.45999999999999996	19.3000000000000007	0.0350999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-9.59999999999999964	3	2	1	1	3	0.110000000000000001
2495	757.669999999999959	C36H37O18	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](COC(=O)/C=C/c4ccc(c(c4)O)O)[C@H]([C@H]([C@H]2O)O)O)c([o+]3)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	54	22	0.330000000000000016	11	18	11	181.789999999999992	298.889999999999986	-2.95999999999999996	0.0800000000000000017	-0.280000000000000027	-2.85000000000000009	-2.31999999999999984	-1.66999999999999993	-4.16000000000000014	0.0519999999999999976	6.86000000000000005e-05	Moderately soluble	-5.91000000000000014	0.000930000000000000054	1.23000000000000008e-06	Moderately soluble	-1.21999999999999997	45.7999999999999972	0.0604000000000000023	Soluble	Low	No	Yes	No	No	No	No	No	-10.8599999999999994	3	3	2	1	4	0.170000000000000012
2496	843.710000000000036	C39H39O21	\N	\N	1	OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](COC(=O)/C=C/c4ccc(c(c4)O)O)[C@H]([C@H]([C@@H]2O)O)O)c([o+]3)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	60	22	0.330000000000000016	15	21	11	198.099999999999994	342.259999999999991	-2.64999999999999991	-0.200000000000000011	-0.260000000000000009	-2.99000000000000021	-2.39999999999999991	-1.69999999999999996	-4.23000000000000043	0.0500999999999999987	5.94000000000000005e-05	Moderately soluble	-6.53000000000000025	0.000248000000000000011	2.94000000000000012e-07	Poorly soluble	-1.12000000000000011	63.7000000000000028	0.0754999999999999977	Soluble	Low	No	Yes	No	No	No	No	No	-11.5899999999999999	3	3	2	1	4	0.170000000000000012
2497	519.42999999999995	C24H23O13	\N	\N	1	OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	37	16	0.28999999999999998	8	13	7	122.590000000000003	216.580000000000013	-2.14000000000000012	-0.959999999999999964	0.699999999999999956	-1.40999999999999992	-1.59000000000000008	-1.08000000000000007	-2.25	2.93999999999999995	0.00564999999999999964	Soluble	-3.10000000000000009	0.409999999999999976	0.000788999999999999988	Soluble	-1.47999999999999998	17.3999999999999986	0.033500000000000002	Soluble	Low	No	No	No	No	No	No	No	-10.1500000000000004	3	1	1	1	3	0.170000000000000012
2498	535.42999999999995	C24H23O14	\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	38	16	0.28999999999999998	8	14	8	124.609999999999999	236.810000000000002	-3.29000000000000004	-1.32000000000000006	0.409999999999999976	-1.8899999999999999	-2.06000000000000005	-1.62999999999999989	-2.10999999999999988	4.13999999999999968	0.00772999999999999989	Soluble	-3.14999999999999991	0.375	0.000701000000000000017	Soluble	-0.880000000000000004	70.4000000000000057	0.132000000000000006	Soluble	Low	No	No	No	No	No	No	No	-10.5	3	1	1	1	3	0.170000000000000012
2499	579.529999999999973	C27H31O14	\N	\N	1	Oc1ccc(cc1)c1[o+]c2cc(O)cc(c2cc1O[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)O	41	16	0.440000000000000002	6	14	9	137.490000000000009	232.129999999999995	-3.89999999999999991	-2.31999999999999984	-0.469999999999999973	-2.60999999999999988	-2.95999999999999996	-2.45000000000000018	-1.8600000000000001	7.91999999999999993	0.0137000000000000004	Very soluble	-2.02000000000000002	5.54999999999999982	0.00957999999999999997	Soluble	-0.309999999999999998	283	0.48899999999999999	Soluble	Low	No	No	No	No	No	No	No	-11.4800000000000004	3	4	1	1	4	0.170000000000000012
2500	741.669999999999959	C33H41O19	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO[C@@H]4O[C@@H](C)[C@@H]([C@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	52	16	0.550000000000000044	9	19	12	169.620000000000005	311.279999999999973	0.369999999999999996	-2.95999999999999996	-3	-4.70000000000000018	-5.07000000000000028	-3.06999999999999984	-2.20999999999999996	4.59999999999999964	0.00621000000000000024	Soluble	-3.02000000000000002	0.713999999999999968	0.000962999999999999989	Soluble	1.52000000000000002	24800	33.3999999999999986	Soluble	Low	No	No	No	No	No	No	No	-12.9299999999999997	3	4	1	1	5	0.170000000000000012
2501	757.669999999999959	C33H41O20	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO[C@@H]4O[C@@H](C)[C@@H]([C@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	53	16	0.550000000000000044	9	20	13	171.639999999999986	331.509999999999991	-2.24000000000000021	-3.31000000000000005	-3.29000000000000004	-5.15000000000000036	-5.54000000000000004	-3.89999999999999991	-2.08000000000000007	6.28000000000000025	0.00829000000000000049	Soluble	-3.08000000000000007	0.633000000000000007	0.000835000000000000022	Soluble	2.12000000000000011	101000	133	Soluble	Low	No	Yes	No	No	No	No	No	-13.2699999999999996	3	4	1	1	5	0.170000000000000012
2502	929.759999999999991	C42H41O24	\N	\N	1	OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](COC(=O)/C=C/c4ccc(c(c4)O)O)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1OC(=O)CC(=O)O)O)O	66	22	0.330000000000000016	19	24	11	214.419999999999987	385.629999999999995	-4.42999999999999972	0.0700000000000000067	-0.23000000000000001	-3.10999999999999988	-2.45999999999999996	-2.0299999999999998	-4.63999999999999968	0.0212000000000000001	2.27999999999999985e-05	Moderately soluble	-7.71999999999999975	1.76000000000000009e-05	1.90000000000000014e-08	Poorly soluble	-1.02000000000000002	89.2000000000000028	0.0958999999999999991	Soluble	Low	No	Yes	No	No	No	No	No	-11.9199999999999999	3	3	2	1	5	0.110000000000000001
2504	788.659999999999968	C33H40O22	\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[C@@H]1O[C@H](CO)[C@H]([C@H]([C@H]1O)O)O)O)O	55	16	0.550000000000000044	10	22	14	174.919999999999987	368.810000000000002	1.62000000000000011	-2.83000000000000007	-4.88999999999999968	-6.63999999999999968	-4.79999999999999982	-3.50999999999999979	-2.5	2.47999999999999998	0.00315000000000000002	Soluble	-4.36000000000000032	0.0345000000000000029	4.36999999999999983e-05	Moderately soluble	2.14000000000000012	108000	137	Soluble	Low	No	Yes	No	No	No	No	No	-13.1199999999999992	3	4	1	1	5	0.170000000000000012
2505	745.399999999999977	C21H28N6O18P3	\N	\N	1	O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)O)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)n1cnc2c1ncnc2N)O)O	48	15	0.479999999999999982	13	21	9	150.72999999999999	388.430000000000007	-6.62999999999999989	-6.37000000000000011	-2.93999999999999995	-4.67999999999999972	-7.33000000000000007	-5.58999999999999986	0.179999999999999993	1120	1.51000000000000001	Highly soluble	-1.10000000000000009	59.5	0.0797999999999999959	Very soluble	3.18000000000000016	1120000	1510	Soluble	Low	No	Yes	No	No	No	No	No	-15.3699999999999992	3	4	2	1	5	0.110000000000000001
2506	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	6.94000000000000039	8.74000000000000021	8.72000000000000064	5.29999999999999982	10.0099999999999998	7.94000000000000039	-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
2507	600.870000000000005	C40H56O4	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\[C@]12O[C@]2(C)C[C@H](CC1(C)C)O)/C)/C)/C=C/C=C(\\C=C\\[C@]12O[C@]2(C)C[C@H](CC1(C)C)O)/C	44	0	0.550000000000000044	10	4	2	185.800000000000011	65.519999999999996	7.08000000000000007	9.75999999999999979	8.97000000000000064	5.37000000000000011	10.5999999999999996	8.35999999999999943	-9.05000000000000071	5.30000000000000008e-07	8.82999999999999949e-10	Poorly soluble	-11.0600000000000005	5.28999999999999972e-09	8.80999999999999982e-12	Insoluble	-5.37999999999999989	0.00250000000000000005	4.16999999999999989e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	-3.04000000000000004	2	4	0	1	2	0.170000000000000012
2530	340.370000000000005	C20H20O5	\N	\N	1	CC(=CCc1cc2c(cc1O)OC[C@@]1([C@H]2Oc2c1ccc(c2)O)O)C	25	12	0.299999999999999989	2	5	3	93.4599999999999937	79.1500000000000057	3	4.00999999999999979	2.89000000000000012	1.89999999999999991	3.39999999999999991	3.04000000000000004	-4.70000000000000018	0.00679000000000000003	2.00000000000000016e-05	Moderately soluble	-5.37000000000000011	0.00144000000000000009	4.22000000000000025e-06	Moderately soluble	-4.49000000000000021	0.0111000000000000005	3.24999999999999972e-05	Moderately soluble	High	No	Yes	Yes	No	Yes	Yes	Yes	-5.53000000000000025	0	0	0	0	0	0.550000000000000044
2508	862.740000000000009	C42H38O20	\N	\N	1	OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c([C@@H]3[C@@H]3c4cc(cc(c4C(=O)c4c3cccc4O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)O)C(=O)O)cc(cc2O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	62	24	0.330000000000000016	9	20	12	202.800000000000011	347.95999999999998	1.29000000000000004	1.19999999999999996	-1.10000000000000009	-3.14999999999999991	-0.739999999999999991	-0.5	-5.63999999999999968	0.00199000000000000002	2.3e-06	Moderately soluble	-8.09999999999999964	6.80000000000000012e-06	7.88000000000000009e-09	Poorly soluble	-2.89999999999999991	1.07000000000000006	0.00124	Soluble	Low	No	Yes	No	No	No	No	No	-10.7100000000000009	3	4	1	1	5	0.110000000000000001
2510	180.159999999999997	C7H8N4O2	\N	\N	1	Cn1cnc2c1c(=O)n(c(=O)[nH]2)C	13	9	0.28999999999999998	0	3	1	47.1400000000000006	72.6800000000000068	1.31000000000000005	-0.220000000000000001	-1.04000000000000004	-0.119999999999999996	0.119999999999999996	0.0100000000000000002	-1.33000000000000007	8.41000000000000014	0.0466999999999999985	Very soluble	-0.849999999999999978	25.5	0.141999999999999987	Very soluble	-1.10000000000000009	14.1999999999999993	0.0788999999999999979	Soluble	High	No	No	No	No	No	No	No	-7.55999999999999961	0	1	0	0	1	0.550000000000000044
2511	383.389999999999986	C21H21NO6	\N	\N	1	COc1c(OC)ccc2c1C(=O)O[C@H]2[C@H]1N(C)CCc2c1cc1OCOc1c2	28	12	0.380000000000000004	3	7	0	103.379999999999995	66.4599999999999937	3.04000000000000004	2.74000000000000021	1.84000000000000008	2	3.14000000000000012	2.54999999999999982	-4.05999999999999961	0.0332000000000000003	8.66000000000000043e-05	Moderately soluble	-3.79000000000000004	0.0621999999999999983	0.000162000000000000007	Soluble	-5.12999999999999989	0.00283000000000000005	7.37999999999999964e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	Yes	Yes	-6.69000000000000039	0	0	0	0	0	0.550000000000000044
2512	941.110000000000014	C48H76O18	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2=O)C)C)C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	66	0	0.92000000000000004	9	18	10	232.840000000000003	291.819999999999993	4.12999999999999989	2.04999999999999982	0.910000000000000031	-1.5	-0.0700000000000000067	1.1100000000000001	-6.37000000000000011	0.000398999999999999995	4.23999999999999985e-07	Poorly soluble	-7.80999999999999961	1.46999999999999999e-05	1.56000000000000007e-08	Poorly soluble	-1.05000000000000004	83.7000000000000028	0.0889000000000000068	Soluble	Low	No	Yes	No	No	No	No	No	-10.5899999999999999	3	3	1	1	5	0.110000000000000001
2513	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	1.3600000000000001	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
2514	242.27000000000001	C15H14O3	\N	\N	1	Oc1ccc(cc1)[C@H]1COc2c(C1)ccc(c2)O	18	12	0.200000000000000011	1	3	2	69.1299999999999955	49.6899999999999977	2.04999999999999982	2.9700000000000002	2.81999999999999984	2.20000000000000018	2.87999999999999989	2.58999999999999986	-3.64000000000000012	0.0553999999999999979	0.00022900000000000001	Soluble	-3.68000000000000016	0.0509999999999999967	0.000211000000000000006	Soluble	-4.11000000000000032	0.0188000000000000007	7.73999999999999976e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	No	-5.66999999999999993	0	0	0	0	0	0.550000000000000044
2515	538.889999999999986	C40H58	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\[C@H]1C(=CCCC1(C)C)C)/C)/C)/C=C/C=C(/CC/C=C(/CCC=C(C)C)\\C)\\C	40	0	0.450000000000000011	14	0	0	186.810000000000002	0	8.47000000000000064	14.5700000000000003	12.8499999999999996	8.96000000000000085	12.75	11.5199999999999996	-11.4399999999999995	1.97000000000000002e-09	3.66000000000000016e-12	Insoluble	-14.6699999999999999	1.14999999999999995e-12	2.14000000000000006e-15	Insoluble	-7.21999999999999975	3.22999999999999991e-05	5.99999999999999946e-08	Poorly soluble	Low	No	Yes	No	No	No	No	No	0.760000000000000009	2	4	1	1	2	0.170000000000000012
2516	346.420000000000016	C20H26O5	\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)OC3	25	0	0.800000000000000044	1	5	2	90.6500000000000057	83.8299999999999983	1.97999999999999998	2.08999999999999986	2.37999999999999989	2.79000000000000004	2.45999999999999996	2.33999999999999986	-3.24000000000000021	0.200000000000000011	0.000577000000000000039	Soluble	-3.47999999999999998	0.115000000000000005	0.000331000000000000023	Soluble	-2.56999999999999984	0.940999999999999948	0.0027200000000000002	Soluble	High	No	Yes	No	No	No	No	No	-6.92999999999999972	0	0	0	0	0	0.560000000000000053
2518	240.25	C15H12O3	\N	\N	1	Oc1ccc2c(c1)O[C@@H](CC2=O)c1ccccc1	18	12	0.130000000000000004	1	3	1	67.519999999999996	46.5300000000000011	2.06000000000000005	2.7799999999999998	2.77000000000000002	1.85000000000000009	3.06000000000000005	2.5	-3.50999999999999979	0.0744999999999999968	0.00031	Soluble	-3.41000000000000014	0.0927999999999999936	0.000386000000000000004	Soluble	-4.58000000000000007	0.00638999999999999985	2.65999999999999994e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	No	No	-5.79000000000000004	0	0	0	0	0	0.550000000000000044
2519	270.240000000000009	C15H10O5	\N	\N	1	Oc1ccc2c(c1)occ(c2=O)c1ccc(c(c1)O)O	20	16	0	1	5	3	73.9899999999999949	90.9000000000000057	2.06999999999999984	2.10999999999999988	2.58000000000000007	0.520000000000000018	2.52000000000000002	1.95999999999999996	-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
2520	254.240000000000009	C15H10O4	\N	\N	1	Oc1ccc(cc1)c1cc(=O)c2c(o1)ccc(c2)O	19	16	0	1	4	2	71.9699999999999989	70.6700000000000017	1.87999999999999989	3.25999999999999979	2.87000000000000011	1.08000000000000007	3.02000000000000002	2.41999999999999993	-4.03000000000000025	0.0239000000000000011	9.39000000000000056e-05	Moderately soluble	-4.41999999999999993	0.00970999999999999988	3.82000000000000002e-05	Moderately soluble	-4.98000000000000043	0.00263999999999999999	1.04000000000000004e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.54000000000000004	0	0	0	0	0	0.550000000000000044
2521	342.339999999999975	C19H18O6	\N	\N	1	COc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OC	25	16	0.209999999999999992	5	6	0	93.8900000000000006	67.1299999999999955	3.43000000000000016	3.06999999999999984	3.49000000000000021	0.939999999999999947	4.13999999999999968	3.00999999999999979	-4.04000000000000004	0.0311999999999999986	9.11999999999999942e-05	Moderately soluble	-4.15000000000000036	0.0244000000000000015	7.12999999999999984e-05	Moderately soluble	-6.61000000000000032	8.50000000000000061e-05	2.47999999999999997e-07	Poorly soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-6.20999999999999996	0	0	0	0	0	0.550000000000000044
2522	284.259999999999991	C16H12O5	\N	\N	1	COc1cc2c(cc1O)occ(c2=O)c1ccc(cc1)O	21	16	0.0599999999999999978	2	5	2	78.4599999999999937	79.9000000000000057	2.35999999999999988	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
2523	432.420000000000016	C22H24O9	\N	\N	1	COc1cc(OC)c(cc1c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC)OC	31	16	0.320000000000000007	8	9	0	113.359999999999999	94.8199999999999932	4.20000000000000018	2.97999999999999998	3.52000000000000002	0.0400000000000000008	4.37000000000000011	3.02000000000000002	-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	Yes	-6.82000000000000028	0	0	0	0	0	0.550000000000000044
2525	328.319999999999993	C18H16O6	\N	\N	1	COc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2OC)O)OC	24	16	0.170000000000000012	4	6	1	89.4200000000000017	78.1299999999999955	2.91000000000000014	2.74000000000000021	3.18999999999999995	0.699999999999999956	3.60000000000000009	2.62999999999999989	-3.83000000000000007	0.0483999999999999986	0.000147999999999999992	Soluble	-4.04000000000000004	0.0303000000000000005	9.22000000000000049e-05	Moderately soluble	-5.91000000000000014	0.000402999999999999984	1.23000000000000008e-06	Moderately soluble	High	Yes	No	Yes	No	Yes	Yes	Yes	-6.36000000000000032	0	0	0	0	0	0.550000000000000044
2526	330.329999999999984	C18H18O6	\N	\N	1	COc1cc2O[C@@H](CC(=O)c2c(c1OC)OC)c1ccc(cc1)O	24	12	0.280000000000000027	4	6	1	87	74.2199999999999989	2.75	2.58999999999999986	2.79999999999999982	0.890000000000000013	3.14000000000000012	2.43999999999999995	-3.62999999999999989	0.0782000000000000056	0.000236999999999999987	Soluble	-3.79999999999999982	0.0526999999999999968	0.000158999999999999989	Soluble	-4.91999999999999993	0.00393000000000000033	1.18999999999999996e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-6.48000000000000043	0	0	0	0	0	0.550000000000000044
2527	358.339999999999975	C19H18O7	\N	\N	1	COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC	26	16	0.209999999999999992	5	7	1	95.9099999999999966	87.3599999999999994	3.56999999999999984	3.25999999999999979	3.20000000000000018	0.400000000000000022	3.66000000000000014	2.81999999999999984	-4.24000000000000021	0.0206000000000000003	5.73999999999999993e-05	Moderately soluble	-4.76999999999999957	0.00610000000000000039	1.69999999999999999e-05	Moderately soluble	-6.01999999999999957	0.000342999999999999989	9.56999999999999901e-07	Poorly soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.16999999999999993	0	0	0	0	0	0.550000000000000044
2528	344.360000000000014	C19H20O6	\N	\N	1	COc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(c(c2OC)OC)OC	25	12	0.320000000000000007	5	6	0	91.4699999999999989	63.2199999999999989	3.39999999999999991	2.79000000000000004	3.10000000000000009	1.12999999999999989	3.66999999999999993	2.81999999999999984	-3.75999999999999979	0.0601000000000000006	0.000174999999999999998	Soluble	-3.77000000000000002	0.0579000000000000001	0.000167999999999999991	Soluble	-5.62000000000000011	0.000830000000000000009	2.4099999999999998e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-6.41999999999999993	0	0	0	0	0	0.550000000000000044
2529	442.720000000000027	C30H50O2	\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@@]13[C@@H]2[C@@H](OC1)C(C)(C)CC3)C)C	32	0	1	0	2	1	134.330000000000013	29.4600000000000009	4.57000000000000028	8.14000000000000057	7.24000000000000021	6.13999999999999968	6.24000000000000021	6.46999999999999975	-7.70999999999999996	8.56999999999999926e-06	1.93999999999999984e-08	Poorly soluble	-8.61999999999999922	1.06999999999999992e-06	2.41999999999999991e-09	Poorly soluble	-6.55999999999999961	0.000121	2.73999999999999992e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-3.2200000000000002	1	3	0	1	1	0.550000000000000044
2531	340.370000000000005	C20H20O5	\N	\N	1	CC(=CCc1c(O)ccc2c1OC[C@@]1([C@H]2Oc2c1ccc(c2)O)O)C	25	12	0.299999999999999989	2	5	3	93.4599999999999937	79.1500000000000057	2.83999999999999986	3.12999999999999989	2.89000000000000012	1.89999999999999991	3.39999999999999991	2.83000000000000007	-4.15000000000000036	0.0244000000000000015	7.15000000000000032e-05	Moderately soluble	-4.45999999999999996	0.0117999999999999997	3.46000000000000008e-05	Moderately soluble	-4.49000000000000021	0.0111000000000000005	3.24999999999999972e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-6.15000000000000036	0	0	0	0	0	0.550000000000000044
2533	288.25	C15H12O6	\N	\N	1	Oc1cc(O)c(c(c1)O)C(=O)/C=C/c1ccc(c(c1)O)O	21	12	0	3	6	5	76.3599999999999994	118.219999999999999	0.939999999999999947	2.93000000000000016	2	0.479999999999999982	1.52000000000000002	1.57000000000000006	-3.70000000000000018	0.0577999999999999972	0.00020000000000000001	Soluble	-5.07000000000000028	0.00242999999999999987	8.4300000000000006e-06	Moderately soluble	-2.06999999999999984	2.43999999999999995	0.00844999999999999918	Soluble	High	No	No	Yes	No	Yes	No	Yes	-5.98000000000000043	0	0	0	0	0	0.550000000000000044
2534	369.449999999999989	C22H27NO4	\N	\N	1	COc1cc2CCN3[C@@H](c2cc1OC)[C@@H](C)c1c(C3)c(OC)c(cc1)OC	27	12	0.450000000000000011	4	5	0	108.799999999999997	40.1599999999999966	3.83999999999999986	3.56999999999999984	3.08000000000000007	2.41999999999999993	3.85999999999999988	3.35000000000000009	-4.44000000000000039	0.0132999999999999993	3.58999999999999985e-05	Moderately soluble	-4.09999999999999964	0.0293999999999999991	7.95999999999999968e-05	Moderately soluble	-6.00999999999999979	0.000357000000000000004	9.65999999999999941e-07	Poorly soluble	High	Yes	No	No	No	No	Yes	Yes	-6.01999999999999957	0	0	0	0	0	0.550000000000000044
2535	270.279999999999973	C16H14O4	\N	\N	1	COc1cc(O)ccc1C(=O)/C=C/c1ccc(cc1)O	20	12	0.0599999999999999978	4	4	2	76.7900000000000063	66.7600000000000051	2	2.95000000000000018	2.89000000000000012	1.83000000000000007	3	2.54000000000000004	-3.54999999999999982	0.0753999999999999948	0.000279000000000000005	Soluble	-4.00999999999999979	0.0261000000000000017	9.67000000000000059e-05	Moderately soluble	-3.93000000000000016	0.031699999999999999	0.000116999999999999998	Soluble	High	Yes	No	Yes	No	Yes	No	Yes	-5.84999999999999964	0	0	0	0	0	0.550000000000000044
2536	272.25	C15H12O5	\N	\N	1	Oc1ccc(cc1)[C@H]1[C@H](O)Oc2c(C1=O)ccc(c2)O	20	12	0.130000000000000004	1	5	3	70.7099999999999937	86.9899999999999949	1.32000000000000006	1.84000000000000008	1.78000000000000003	0.849999999999999978	1.6399999999999999	1.47999999999999998	-3.06999999999999984	0.234000000000000014	0.000861000000000000003	Soluble	-3.29000000000000004	0.140000000000000013	0.000515999999999999966	Soluble	-3.18999999999999995	0.176999999999999991	0.000648999999999999946	Soluble	High	No	Yes	No	No	No	No	No	-6.65000000000000036	0	0	0	0	0	0.550000000000000044
2537	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
2538	351.389999999999986	C18H25NO6	\N	\N	1	C/C=C/1\\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-]	25	0	0.67000000000000004	0	6	1	95.2999999999999972	102.260000000000005	1.27000000000000002	0.609999999999999987	0.819999999999999951	-0.400000000000000022	0.520000000000000018	0.560000000000000053	-2.39999999999999991	1.3899999999999999	0.00395000000000000039	Soluble	-2.33000000000000007	1.6399999999999999	0.00466000000000000008	Soluble	-2.12999999999999989	2.62000000000000011	0.00745000000000000002	Soluble	High	No	Yes	No	No	No	No	No	-8.00999999999999979	0	0	0	0	0	0.550000000000000044
2539	416.680000000000007	C28H48O2	\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](CC[C@H](C(C)C)C)C)C)C	30	0	0.959999999999999964	5	2	1	129.099999999999994	37.2999999999999972	4.50999999999999979	7.99000000000000021	6.88999999999999968	5.61000000000000032	6.33999999999999986	6.26999999999999957	-7.12999999999999989	3.1099999999999997e-05	7.46000000000000063e-08	Poorly soluble	-8.63000000000000078	9.85999999999999962e-07	2.36999999999999988e-09	Poorly soluble	-5.69000000000000039	0.000854999999999999966	2.04999999999999985e-06	Moderately soluble	Low	No	No	No	No	No	No	No	-3.16999999999999993	1	2	0	1	1	0.550000000000000044
2540	432.680000000000007	C28H48O3	\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[C@H](C(C)C)C)O)C)C)C	31	0	0.959999999999999964	5	3	2	130.259999999999991	57.5300000000000011	4.13999999999999968	6.65000000000000036	5.86000000000000032	4.73000000000000043	5.57000000000000028	5.38999999999999968	-6.37999999999999989	0.000178999999999999987	4.14999999999999997e-07	Poorly soluble	-7.66000000000000014	9.47000000000000081e-06	2.19000000000000009e-08	Poorly soluble	-4.74000000000000021	0.00783999999999999975	1.80999999999999995e-05	Moderately soluble	High	No	No	No	No	No	No	No	-4.21999999999999975	1	3	0	0	1	0.550000000000000044
2542	464.680000000000007	C28H48O5	\N	\N	1	O[C@H]([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC(=O)[C@@H]2[C@]1(C)C[C@@H](O)[C@H](C2)O)C)[C@@H]([C@H](C(C)C)C)O	33	0	0.959999999999999964	5	5	4	132.580000000000013	97.9899999999999949	3.62999999999999989	4.70000000000000018	3.81000000000000005	3.04999999999999982	3.91000000000000014	3.81999999999999984	-5.34999999999999964	0.00206999999999999979	4.44999999999999975e-06	Moderately soluble	-6.49000000000000021	0.000152000000000000008	3.25999999999999981e-07	Poorly soluble	-2.9700000000000002	0.492999999999999994	0.00105999999999999996	Soluble	High	No	Yes	No	No	No	No	No	-5.79999999999999982	0	2	0	0	0	0.550000000000000044
2543	416.680000000000007	C28H48O2	\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]([C@H](C[C@H](C(C)C)C)O)C)C)C1)C	30	0	0.930000000000000049	5	2	2	129.580000000000013	40.4600000000000009	4.62999999999999989	7.45000000000000018	6.61000000000000032	5.61000000000000032	5.86000000000000032	6.03000000000000025	-6.79000000000000004	6.81000000000000019e-05	1.62999999999999991e-07	Poorly soluble	-8.13000000000000078	3.08000000000000016e-06	7.37999999999999974e-09	Poorly soluble	-4.84999999999999964	0.00589000000000000027	1.41000000000000005e-05	Moderately soluble	High	No	No	No	No	No	No	No	-3.54999999999999982	1	2	0	1	1	0.550000000000000044
2544	552.870000000000005	C40H56O	\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(=C[C@@H](CC1(C)C)O)C)\\C	41	0	0.450000000000000011	10	1	1	185.590000000000003	20.2300000000000004	7.65000000000000036	12.3499999999999996	11.4299999999999997	7.88999999999999968	11.3800000000000008	10.1400000000000006	-10.3900000000000006	2.26000000000000005e-08	4.09000000000000022e-11	Insoluble	-12.7899999999999991	8.93000000000000044e-11	1.61999999999999991e-13	Insoluble	-6.32000000000000028	0.000266000000000000015	4.82000000000000001e-07	Poorly soluble	Low	No	Yes	No	No	No	No	No	-0.900000000000000022	2	4	0	1	2	0.170000000000000012
2545	204.349999999999994	C15H24	\N	\N	1	CC1=C[C@H]2[C@@H](CC1)[C@H](C)CC[C@H]2C(=C)C	15	0	0.729999999999999982	1	0	0	69.0400000000000063	0	3.2799999999999998	5.05999999999999961	4.58000000000000007	4.62999999999999989	3.75	4.25999999999999979	-4.23000000000000043	0.0120999999999999996	5.91e-05	Moderately soluble	-4.79999999999999982	0.00322000000000000021	1.58000000000000012e-05	Moderately soluble	-3.10000000000000009	0.163000000000000006	0.00079799999999999999	Soluble	Low	No	No	No	Yes	Yes	No	No	-3.95000000000000018	1	0	0	0	2	0.550000000000000044
2546	204.349999999999994	C15H24	\N	\N	1	CC1=CCCC(=CC[C@@H](CC1)C(=C)C)C	15	0	0.599999999999999978	1	0	0	70.6800000000000068	0	3.31000000000000005	5.87000000000000011	5.04000000000000004	4.53000000000000025	4.13999999999999968	4.58000000000000007	-4.74000000000000021	0.00372999999999999981	1.81999999999999985e-05	Moderately soluble	-5.63999999999999968	0.000465000000000000027	2.28000000000000019e-06	Moderately soluble	-3.54999999999999982	0.0579000000000000001	0.000282999999999999994	Soluble	Low	No	No	No	No	Yes	No	No	-3.37999999999999989	1	0	0	0	2	0.550000000000000044
2547	204.349999999999994	C15H24	\N	\N	1	CC1=CCCC(=C)C=C[C@@H](CC1)C(C)C	15	0	0.599999999999999978	1	0	0	70.6800000000000068	0	3.31999999999999984	4.74000000000000021	4.88999999999999968	4.53000000000000025	4.00999999999999979	4.29999999999999982	-4.03000000000000025	0.0191999999999999983	9.39000000000000056e-05	Moderately soluble	-4.46999999999999975	0.0069300000000000004	3.38999999999999973e-05	Moderately soluble	-3.31999999999999984	0.0982999999999999985	0.000480999999999999982	Soluble	Low	No	No	No	No	Yes	No	No	-4.17999999999999972	1	0	0	0	1	0.550000000000000044
2549	288.300000000000011	C16H16O5	\N	\N	1	COc1ccc(c(c1)O)[C@@H]1COc2c([C@@H]1O)ccc(c2)O	21	12	0.25	2	5	3	76.7800000000000011	79.1500000000000057	1.93999999999999995	1.83000000000000007	1.98999999999999999	1.04000000000000004	1.97999999999999998	1.76000000000000001	-3.06999999999999984	0.244999999999999996	0.000849000000000000037	Soluble	-3.10999999999999988	0.223000000000000004	0.000772000000000000008	Soluble	-3.41999999999999993	0.109	0.000378999999999999997	Soluble	High	No	Yes	No	No	No	No	No	-6.75999999999999979	0	0	0	0	0	0.550000000000000044
2550	328.319999999999993	C18H16O6	\N	\N	1	COc1cc(OC)c(cc1c1coc2c(c1=O)ccc(c2)O)OC	24	16	0.170000000000000012	4	6	1	89.4200000000000017	78.1299999999999955	2.81000000000000005	2.74000000000000021	3.18999999999999995	0.699999999999999956	3.60000000000000009	2.60999999999999988	-3.83000000000000007	0.0483999999999999986	0.000147999999999999992	Soluble	-4.04000000000000004	0.0303000000000000005	9.22000000000000049e-05	Moderately soluble	-5.91000000000000014	0.000402999999999999984	1.23000000000000008e-06	Moderately soluble	High	Yes	No	Yes	No	Yes	Yes	Yes	-6.36000000000000032	0	0	0	0	0	0.550000000000000044
2551	286.279999999999973	C16H14O5	\N	\N	1	COc1ccc(cc1)[C@H]1[C@H](O)Oc2c(C1=O)ccc(c2)O	21	12	0.190000000000000002	2	5	2	75.1800000000000068	75.9899999999999949	1.94999999999999996	2.16999999999999993	2.08000000000000007	1.10000000000000009	2.14999999999999991	1.8899999999999999	-3.27000000000000002	0.152999999999999997	0.000533000000000000054	Soluble	-3.39999999999999991	0.114000000000000004	0.000398999999999999995	Soluble	-3.87999999999999989	0.0372999999999999998	0.000129999999999999989	Soluble	High	Yes	No	No	No	No	No	No	-6.50999999999999979	0	0	0	0	0	0.550000000000000044
2552	502.420000000000016	C24H22O12	\N	\N	1	OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	36	16	0.28999999999999998	8	12	5	120.400000000000006	193.189999999999998	1.87000000000000011	0.380000000000000004	0.369999999999999996	-1.27000000000000002	0.660000000000000031	0.400000000000000022	-3	0.508000000000000007	0.00101000000000000005	Soluble	-4	0.0500000000000000028	9.94000000000000038e-05	Moderately soluble	-3.24000000000000021	0.290999999999999981	0.000578999999999999979	Soluble	Low	No	Yes	No	No	No	No	No	-9.08999999999999986	2	1	1	1	2	0.110000000000000001
2553	518.419999999999959	C24H22O13	\N	\N	1	OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	37	16	0.28999999999999998	8	13	6	122.430000000000007	213.419999999999987	1.40999999999999992	0.57999999999999996	0.0800000000000000017	-1.75	0.200000000000000011	0.100000000000000006	-3.20999999999999996	0.318000000000000005	0.000613999999999999962	Soluble	-4.62999999999999989	0.0120000000000000002	2.32000000000000015e-05	Moderately soluble	-2.64000000000000012	1.17999999999999994	0.00227999999999999991	Soluble	Low	No	Yes	No	No	No	No	No	-9.05000000000000071	3	1	1	1	3	0.110000000000000001
2554	446.399999999999977	C22H22O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3occ(c(=O)c3cc2OC)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	32	16	0.320000000000000007	5	10	5	110.579999999999998	159.050000000000011	2.29000000000000004	0.640000000000000013	0.349999999999999978	-1.3899999999999999	0.890000000000000013	0.560000000000000053	-3.04999999999999982	0.39700000000000002	0.000889000000000000033	Soluble	-3.56000000000000005	0.123999999999999999	0.000277999999999999981	Soluble	-3.37999999999999989	0.184999999999999998	0.000415000000000000004	Soluble	Low	No	No	No	No	No	No	Yes	-8.57000000000000028	0	0	1	1	1	0.550000000000000044
2556	516.450000000000045	C25H24O12	\N	\N	1	COc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]1O)O)O	37	16	0.320000000000000007	9	12	4	124.870000000000005	182.189999999999998	3.5	0.709999999999999964	0.67000000000000004	-1.06000000000000005	1.20999999999999996	1.01000000000000001	-3.2200000000000002	0.315000000000000002	0.000608999999999999949	Soluble	-4.11000000000000032	0.0396999999999999992	7.6899999999999999e-05	Moderately soluble	-3.91999999999999993	0.0616999999999999979	0.000119000000000000006	Soluble	Low	No	Yes	No	No	No	No	Yes	-8.94999999999999929	2	1	1	1	2	0.110000000000000001
2557	432.420000000000016	C22H24O9	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc3c(c2)OC[C@@H]2[C@H]3Oc3c2ccc(c3)OC)[C@@H]([C@H]([C@@H]1O)O)O	31	12	0.450000000000000011	4	9	4	105.290000000000006	127.069999999999993	2.85000000000000009	0.810000000000000053	0.160000000000000003	-0.349999999999999978	0.560000000000000053	0.810000000000000053	-3.04999999999999982	0.382000000000000006	0.00088400000000000002	Soluble	-3.06000000000000005	0.376000000000000001	0.000871000000000000029	Soluble	-2.60000000000000009	1.09000000000000008	0.0025200000000000001	Soluble	High	No	Yes	No	No	No	No	No	-8.35999999999999943	0	0	0	0	0	0.550000000000000044
2558	518.470000000000027	C25H26O12	\N	\N	1	COc1ccc2c(c1)O[C@@H]1[C@H]2COc2c1ccc(c2)O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]1O)O)O	37	12	0.440000000000000002	8	12	4	121.599999999999994	170.439999999999998	2.58999999999999986	0.520000000000000018	0.179999999999999993	-0.540000000000000036	0.409999999999999976	0.630000000000000004	-3.08999999999999986	0.416999999999999982	0.000805000000000000051	Soluble	-3.66999999999999993	0.111000000000000001	0.000213999999999999998	Soluble	-2.54999999999999982	1.45999999999999996	0.00282000000000000002	Soluble	Low	No	Yes	No	No	No	No	No	-9.08999999999999986	2	1	1	1	2	0.110000000000000001
2559	272.300000000000011	C16H16O4	\N	\N	1	COc1ccc(c(c1)O)[C@@H]1COc2c(C1)ccc(c2)O	20	12	0.25	2	4	2	75.6200000000000045	58.9200000000000017	2.25999999999999979	2.93999999999999995	2.83000000000000007	1.87000000000000011	2.89000000000000012	2.56000000000000005	-3.68999999999999995	0.0553000000000000019	0.000203000000000000001	Soluble	-3.83999999999999986	0.0393999999999999975	0.000145000000000000001	Soluble	-4.23000000000000043	0.0160000000000000003	5.86000000000000014e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-5.87000000000000011	0	0	0	0	0	0.550000000000000044
2560	298.25	C16H10O6	\N	\N	1	Oc1ccc2c(c1)occ(c2=O)c1cc2OCOc2cc1O	22	16	0.0599999999999999978	1	6	2	78.0300000000000011	89.1299999999999955	1.98999999999999999	2.2799999999999998	2.60000000000000009	0.630000000000000004	2.87999999999999989	2.08000000000000007	-3.60000000000000009	0.0753000000000000058	0.000253000000000000024	Soluble	-3.79000000000000004	0.0485000000000000014	0.000163000000000000005	Soluble	-4.71999999999999975	0.00566999999999999969	1.9000000000000001e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-6.5	0	0	0	0	0	0.550000000000000044
2561	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	1.95999999999999996	2.16999999999999993	2.18999999999999995	0.819999999999999951	2.41000000000000014	1.90999999999999992	-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
2563	284.259999999999991	C16H12O5	\N	\N	1	Oc1ccc2c(c1)OC[C@H]1[C@@H]2Oc2c1cc1c(c2)OCO1	21	12	0.25	0	5	1	72.7399999999999949	57.1499999999999986	2.77000000000000002	2.60999999999999988	2.41000000000000014	1.70999999999999996	2.60000000000000009	2.41999999999999993	-3.66999999999999993	0.0607999999999999999	0.000213999999999999998	Soluble	-3.45999999999999996	0.0985999999999999932	0.000346999999999999978	Soluble	-3.93000000000000016	0.0333000000000000032	0.000116999999999999998	Soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-6.17999999999999972	0	0	0	0	0	0.550000000000000044
2564	300.259999999999991	C16H12O6	\N	\N	1	Oc1ccc2c(c1)OC[C@]1([C@@H]2Oc2c1cc1c(c2)OCO1)O	22	12	0.25	0	6	2	73.7800000000000011	77.3799999999999955	2.39999999999999991	2.25	1.39999999999999991	0.900000000000000022	2.08000000000000007	1.81000000000000005	-3.52000000000000002	0.0900999999999999995	0.000299999999999999974	Soluble	-3.50999999999999979	0.0926000000000000018	0.000308000000000000006	Soluble	-3.56999999999999984	0.0810000000000000026	0.000270000000000000003	Soluble	High	No	Yes	Yes	Yes	No	Yes	Yes	-6.53000000000000025	0	0	0	0	0	0.550000000000000044
2565	532.450000000000045	C25H24O13	\N	\N	1	OC(=O)CC(=O)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	38	12	0.440000000000000002	7	13	4	121.180000000000007	179.669999999999987	2.74000000000000021	0.520000000000000018	-0.100000000000000006	-0.609999999999999987	0.170000000000000012	0.540000000000000036	-3.24000000000000021	0.305999999999999994	0.00057499999999999999	Soluble	-3.85999999999999988	0.0728000000000000036	0.000136999999999999996	Soluble	-2.16000000000000014	3.70000000000000018	0.00694999999999999958	Soluble	Low	No	Yes	No	No	No	No	No	-9.17999999999999972	2	1	1	1	2	0.110000000000000001
2566	288.25	C15H12O6	\N	\N	1	Oc1ccc(cc1)[C@H]1[C@H](O)Oc2c(C1=O)cc(c(c2)O)O	21	12	0.130000000000000004	1	6	4	72.730000000000004	107.219999999999999	1.28000000000000003	1.48999999999999999	1.47999999999999998	0.299999999999999989	1.14999999999999991	1.1399999999999999	-2.91999999999999993	0.343999999999999972	0.00119000000000000009	Soluble	-3.35000000000000009	0.129000000000000004	0.000447999999999999993	Soluble	-2.60999999999999988	0.711999999999999966	0.00246999999999999997	Soluble	High	No	No	No	No	No	No	No	-7	0	0	0	0	0	0.550000000000000044
2567	204.349999999999994	C15H24	\N	\N	1	C[C@H]1CCC2=C(C([C@@H]3C[C@]12CC3)(C)C)C	15	0	0.869999999999999996	0	0	0	66.8799999999999955	0	3.20000000000000018	4.54999999999999982	4.55999999999999961	5.65000000000000036	4.29999999999999982	4.45000000000000018	-3.9700000000000002	0.0217000000000000005	0.000106000000000000002	Soluble	-4.26999999999999957	0.0109	5.33999999999999969e-05	Moderately soluble	-3.9700000000000002	0.0218999999999999993	0.000106999999999999999	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.32000000000000028	1	0	0	0	1	0.550000000000000044
2568	536.870000000000005	C40H56	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\[C@H]1C(=CCCC1(C)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	7.98000000000000043	13.6899999999999995	12.3200000000000003	8.96000000000000085	11.8599999999999994	10.9600000000000009	-11.1300000000000008	3.9499999999999998e-09	7.35999999999999933e-12	Insoluble	-13.7599999999999998	9.38999999999999937e-12	1.75000000000000012e-14	Insoluble	-6.69000000000000039	0.000109000000000000007	2.03000000000000005e-07	Poorly soluble	Low	No	Yes	No	No	No	No	No	0.140000000000000013	2	4	0	1	2	0.170000000000000012
2570	605.480000000000018	C27H25O16	\N	\N	1	OC(=O)CC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)COC(=O)CC(=O)O)Oc1cc2c(O)cc(cc2[o+]c1c1ccc(cc1)O)O	43	16	0.299999999999999989	12	16	7	138.900000000000006	259.949999999999989	-2.83000000000000007	-0.689999999999999947	0.729999999999999982	-1.53000000000000003	-1.69999999999999996	-1.20999999999999996	-2.64000000000000012	1.37999999999999989	0.00227999999999999991	Soluble	-4.29000000000000004	0.030800000000000001	5.08000000000000015e-05	Moderately soluble	-1.40999999999999992	23.6000000000000014	0.0389999999999999999	Soluble	Low	No	No	No	No	No	No	No	-10.4800000000000004	3	2	2	1	4	0.110000000000000001
2571	621.480000000000018	C27H25O17	\N	\N	1	OC(=O)CC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)COC(=O)CC(=O)O)Oc1cc2c(O)cc(cc2[o+]c1c1ccc(c(c1)O)O)O	44	16	0.299999999999999989	12	17	8	140.930000000000007	280.180000000000007	-1.76000000000000001	-1.05000000000000004	0.429999999999999993	-1.98999999999999999	-2.16000000000000014	-1.31000000000000005	-2.50999999999999979	1.92999999999999994	0.00309999999999999989	Soluble	-4.34999999999999964	0.0281	4.50999999999999985e-05	Moderately soluble	-0.810000000000000053	95.7999999999999972	0.153999999999999998	Soluble	Low	No	No	No	No	No	No	No	-10.8399999999999999	3	2	2	1	4	0.110000000000000001
2572	637.480000000000018	C27H25O18	\N	\N	1	OC(=O)CC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)COC(=O)CC(=O)O)Oc1cc2c(O)cc(cc2[o+]c1c1cc(O)c(c(c1)O)O)O	45	16	0.299999999999999989	12	18	9	142.949999999999989	300.410000000000025	-2.37999999999999989	-1.39999999999999991	0.140000000000000013	-2.45000000000000018	-2.62000000000000011	-1.73999999999999999	-2.37999999999999989	2.64999999999999991	0.00415000000000000004	Soluble	-4.41000000000000014	0.0250000000000000014	3.91999999999999974e-05	Moderately soluble	-0.220000000000000001	388	0.607999999999999985	Soluble	Low	No	No	No	No	No	No	No	-11.1799999999999997	3	2	2	1	4	0.110000000000000001
2573	903.809999999999945	C42H47O22	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO[C@@H]4O[C@@H](C)[C@@H]([C@H]([C@H]4O)O)OC(=O)/C=C/c4ccc(cc4)O)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	64	22	0.429999999999999993	13	22	13	213.009999999999991	357.810000000000002	-0.949999999999999956	-1.01000000000000001	-1.42999999999999994	-4.26999999999999957	-3.81999999999999984	-2.29999999999999982	-4.20000000000000018	0.0565000000000000016	6.26000000000000037e-05	Moderately soluble	-6.01999999999999957	0.000868999999999999981	9.60999999999999989e-07	Poorly soluble	0.0700000000000000067	1060	1.16999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-12.5299999999999994	3	4	2	1	4	0.170000000000000012
2591	611.529999999999973	C27H31O16	\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)c1cc(O)c(c(c1)O)O	43	16	0.440000000000000002	6	16	11	141.539999999999992	272.589999999999975	-3.33000000000000007	-1.87000000000000011	-1.06000000000000005	-3.54999999999999982	-3.89999999999999991	-2.74000000000000021	-2.33000000000000007	2.83999999999999986	0.00464999999999999962	Soluble	-3.33999999999999986	0.282999999999999974	0.000462000000000000008	Soluble	0.880000000000000004	4650	7.59999999999999964	Soluble	Low	No	No	No	No	No	No	No	-11.3599999999999994	3	4	1	1	4	0.170000000000000012
2574	917.840000000000032	C43H49O22	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO[C@@H]4O[C@@H](C)[C@@H]([C@H]([C@H]4O)O)OC(=O)/C=C/c4ccc(cc4)O)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O	65	22	0.440000000000000002	14	22	12	217.47999999999999	346.810000000000002	-1.25	-0.680000000000000049	-1.12999999999999989	-4.09999999999999964	-3.25	-2.08000000000000007	-4.42999999999999972	0.0342000000000000012	3.72999999999999986e-05	Moderately soluble	-6.12999999999999989	0.000683000000000000013	7.43999999999999992e-07	Poorly soluble	-0.609999999999999987	225	0.244999999999999996	Soluble	Low	No	Yes	No	No	No	No	No	-12.3800000000000008	3	4	2	1	4	0.170000000000000012
2575	919.809999999999945	C42H47O23	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO[C@@H]4O[C@@H](C)[C@@H]([C@H]([C@H]4O)O)OC(=O)/C=C/c4ccc(cc4)O)[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	65	22	0.429999999999999993	13	23	14	215.030000000000001	378.04000000000002	-2.25	-1.37000000000000011	-1.72999999999999998	-4.70999999999999996	-4.28000000000000025	-2.87000000000000011	-4.07000000000000028	0.077899999999999997	8.46999999999999988e-05	Moderately soluble	-6.07000000000000028	0.000786000000000000023	8.53999999999999997e-07	Poorly soluble	0.67000000000000004	4310	4.69000000000000039	Soluble	Low	No	Yes	No	No	No	No	No	-12.8800000000000008	3	4	2	1	4	0.170000000000000012
2576	933.840000000000032	C43H49O23	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO[C@@H]4O[C@@H](C)[C@@H]([C@H]([C@H]4O)O)OC(=O)/C=C/c4ccc(cc4)O)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2cc(O)c(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O	66	22	0.440000000000000002	14	23	13	219.5	367.04000000000002	-0.349999999999999978	-1.04000000000000004	-1.41999999999999993	-4.54000000000000004	-3.70999999999999996	-2.20999999999999996	-4.29999999999999982	0.047100000000000003	5.03999999999999986e-05	Moderately soluble	-6.17999999999999972	0.000617000000000000035	6.61000000000000003e-07	Poorly soluble	-0.0100000000000000002	919	0.983999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-12.7300000000000004	3	4	2	1	4	0.170000000000000012
2577	947.860000000000014	C44H51O23	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO[C@@H]4O[C@@H](C)[C@@H]([C@H]([C@H]4O)O)OC(=O)/C=C/c4ccc(cc4)O)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2cc(OC)c(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O	67	22	0.450000000000000011	15	23	12	223.969999999999999	356.04000000000002	0.119999999999999996	-0.709999999999999964	-1.12000000000000011	-4.37999999999999989	-3.14000000000000012	-1.85000000000000009	-4.51999999999999957	0.028500000000000001	3.00000000000000008e-05	Moderately soluble	-6.29000000000000004	0.000485000000000000025	5.10999999999999957e-07	Poorly soluble	-0.689999999999999947	196	0.20699999999999999	Soluble	Low	No	Yes	No	No	No	No	No	-12.5899999999999999	3	4	2	1	4	0.170000000000000012
2579	449.379999999999995	C21H21O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O)c([o+]3)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	32	16	0.28999999999999998	4	11	8	108.290000000000006	193.439999999999998	-3.00999999999999979	0.140000000000000013	0.380000000000000004	-1.76000000000000001	-1.90999999999999992	-1.22999999999999998	-2.81999999999999984	0.680000000000000049	0.00151000000000000006	Soluble	-3.75999999999999979	0.0782999999999999946	0.000174000000000000001	Soluble	-0.930000000000000049	52.2999999999999972	0.116000000000000006	Soluble	Low	No	No	No	No	No	No	No	-8.9399999999999995	2	0	1	1	3	0.170000000000000012
2580	843.710000000000036	C39H39O21	\N	\N	1	O=C(/C=C/c1ccc(cc1)O)OC[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2ccc(c(c2)O)O)O)O[C@@H]2O[C@@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	60	22	0.330000000000000016	15	21	11	198.099999999999994	342.259999999999991	-4.87000000000000011	-1.37000000000000011	-0.260000000000000009	-2.99000000000000021	-2.39999999999999991	-2.37999999999999989	-3.49000000000000021	0.27300000000000002	0.000324000000000000015	Soluble	-5.32000000000000028	0.00406999999999999983	4.81999999999999959e-06	Moderately soluble	-1.12000000000000011	63.7000000000000028	0.0754999999999999977	Soluble	Low	No	Yes	No	No	No	No	No	-12.4199999999999999	3	3	2	1	4	0.170000000000000012
2581	551.42999999999995	C24H23O15	\N	\N	1	OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2cc(O)c(c(c2)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	39	16	0.28999999999999998	8	15	9	126.629999999999995	257.04000000000002	-4.95000000000000018	-1.66999999999999993	0.110000000000000001	-2.35999999999999988	-2.52000000000000002	-2.2799999999999998	-1.97999999999999998	5.74000000000000021	0.0103999999999999995	Very soluble	-3.2200000000000002	0.33500000000000002	0.000608000000000000033	Soluble	-0.28999999999999998	285	0.516000000000000014	Soluble	Low	No	No	No	No	No	No	No	-10.8499999999999996	3	1	1	1	3	0.170000000000000012
2582	2108.84000000000015	C96H107O53	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/C(=O)OC[C@H]2O[C@@H](Oc3ccc(cc3)/C=C/C(=O)OC[C@H]3O[C@@H](Oc4cc(cc(c4O)O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(cc5)O[C@@H]5O[C@H](COC(=O)/C=C/c6ccc(cc6)O[C@@H]6O[C@H](CO)[C@H]([C@@H]([C@H]6O)O)O)[C@H]([C@@H]([C@H]5O)O)O)[C@H]([C@@H]([C@H]4O)O)O)c4[o+]c5cc(O)cc(c5cc4O[C@@H]4O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]4O)O)O)O)[C@@H]([C@H]([C@@H]3O)O)O)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	149	40	0.450000000000000011	42	53	27	484.860000000000014	837.139999999999986	-4.25999999999999979	-5.49000000000000021	-7.59999999999999964	-11.9299999999999997	-7.95000000000000018	-7.45000000000000018	-6.87999999999999989	0.000275999999999999987	1.30999999999999995e-07	Poorly soluble	-11.4299999999999997	7.75999999999999967e-09	3.67999999999999967e-12	Insoluble	3.20000000000000018	3320000	1570	Soluble	Low	No	Yes	No	No	No	No	No	-23.0599999999999987	3	4	2	1	7	0.170000000000000012
2583	875.710000000000036	C36H43O25	\N	\N	1	OC[C@@H]1O[C@@H](Oc2cc(cc(c2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)c2[o+]c3cc(O)cc(c3cc2O[C@@H]2O[C@@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	61	16	0.530000000000000027	14	25	15	190.879999999999995	415.339999999999975	-2.95000000000000018	-5.28000000000000025	-4.94000000000000039	-6.38999999999999968	-6.66999999999999993	-5.25	-1.20999999999999996	53.6000000000000014	0.0611999999999999975	Very soluble	-2.79000000000000004	1.40999999999999992	0.0016100000000000001	Soluble	3.41000000000000014	2230000	2550	Soluble	Low	No	Yes	No	No	No	No	No	-15.3900000000000006	3	4	2	1	5	0.170000000000000012
2584	713.57000000000005	C30H33O20	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(cc(c2O)O)c2[o+]c3cc(O)cc(c3cc2O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]2O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	50	16	0.429999999999999993	11	20	12	158.759999999999991	336.189999999999998	-3.18999999999999995	-3.47999999999999998	-2.41000000000000014	-4.37000000000000011	-4.59999999999999964	-3.60999999999999988	-1.58000000000000007	18.6999999999999993	0.0261000000000000017	Very soluble	-3	0.713999999999999968	0.00100000000000000002	Soluble	1.54000000000000004	24800	34.7999999999999972	Soluble	Low	No	No	No	No	No	No	No	-13.1199999999999992	3	4	2	1	5	0.170000000000000012
2585	595.529999999999973	C27H31O15	\N	\N	1	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@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	42	16	0.440000000000000002	7	15	10	138.650000000000006	252.360000000000014	-2.56000000000000005	-2.27000000000000002	-1.5	-3.35000000000000009	-3.56000000000000005	-2.64999999999999991	-1.91999999999999993	7.12999999999999989	0.0120000000000000002	Very soluble	-2.5	1.89999999999999991	0.00320000000000000015	Soluble	0.270000000000000018	1100	1.85000000000000009	Soluble	Low	No	No	No	No	No	No	No	-11.5399999999999991	3	4	1	1	4	0.170000000000000012
2586	611.529999999999973	C27H31O16	\N	\N	1	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](CO)[C@H]([C@@H]([C@H]1O)O)O	43	16	0.440000000000000002	7	16	11	140.680000000000007	272.589999999999975	-2.7799999999999998	-2.62999999999999989	-1.79000000000000004	-3.81999999999999984	-4.03000000000000025	-3.00999999999999979	-1.79000000000000004	9.97000000000000064	0.0162999999999999985	Very soluble	-2.54999999999999982	1.73999999999999999	0.00284000000000000008	Soluble	0.859999999999999987	4460	7.29000000000000004	Soluble	Low	No	No	No	No	No	No	No	-11.9000000000000004	3	4	1	1	5	0.170000000000000012
2587	627.519999999999982	C27H31O17	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2cc(O)c(c(c2)O)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	12	142.699999999999989	292.819999999999993	-1.47999999999999998	-2.97999999999999998	-2.08999999999999986	-4.28000000000000025	-4.49000000000000021	-3.06000000000000005	-1.65999999999999992	13.6999999999999993	0.0218999999999999993	Very soluble	-2.60999999999999988	1.55000000000000004	0.00246999999999999997	Soluble	1.45999999999999996	18100	28.8000000000000007	Soluble	Low	No	No	No	No	No	No	No	-12.2400000000000002	3	4	1	1	5	0.170000000000000012
2589	789.669999999999959	C36H37O20	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2cc(O)c(c(c2)O)O)O)O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(c(c3)O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	56	22	0.330000000000000016	11	20	13	185.830000000000013	339.350000000000023	-1.44999999999999996	-1.80000000000000004	-0.869999999999999996	-3.75	-3.25	-2.22999999999999998	-3.16999999999999993	0.538000000000000034	0.000680999999999999965	Soluble	-4.80999999999999961	0.0122000000000000008	1.55000000000000007e-05	Moderately soluble	-0.0200000000000000004	758	0.958999999999999964	Soluble	Low	No	Yes	No	No	No	No	No	-12.3900000000000006	3	4	2	1	4	0.170000000000000012
2590	789.669999999999959	C33H41O22	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2cc(O)c(c(c2)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	55	16	0.550000000000000044	10	22	15	174.560000000000002	371.970000000000027	-2.43000000000000016	-5	-4.96999999999999975	-6.29999999999999982	-6.58999999999999986	-5.05999999999999961	-1.1399999999999999	57	0.0722000000000000003	Very soluble	-2.16999999999999993	5.29000000000000004	0.00670000000000000023	Soluble	3.31000000000000005	1600000	2020	Soluble	Low	No	Yes	No	No	No	No	No	-14.6699999999999999	3	4	1	1	5	0.170000000000000012
2613	302.279999999999973	C16H14O6	\N	\N	1	COc1cc(/C=C/C(=O)c2c(O)cc(cc2O)O)ccc1O	22	12	0.0599999999999999978	4	6	4	80.8299999999999983	107.219999999999999	1.62000000000000011	2.87999999999999989	2.29999999999999982	0.729999999999999982	2.06000000000000005	1.91999999999999993	-3.66999999999999993	0.0648999999999999994	0.000214999999999999995	Soluble	-4.79000000000000004	0.00489000000000000025	1.62000000000000007e-05	Moderately soluble	-2.77000000000000002	0.515000000000000013	0.00169999999999999991	Soluble	High	No	No	Yes	No	Yes	No	Yes	-6.09999999999999964	0	0	0	0	0	0.550000000000000044
2592	741.669999999999959	C36H37O17	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2ccc(cc2)O)O)O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(cc3)O)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	53	22	0.330000000000000016	11	17	10	179.77000000000001	278.660000000000025	-1.68999999999999995	-0.729999999999999982	0.0100000000000000002	-2.39999999999999991	-1.8600000000000001	-1.33000000000000007	-3.56000000000000005	0.203999999999999987	0.000275999999999999987	Soluble	-4.65000000000000036	0.016799999999999999	2.26000000000000005e-05	Moderately soluble	-1.82000000000000006	11.3000000000000007	0.0152	Soluble	Low	No	Yes	No	No	No	No	No	-11.3399999999999999	3	3	2	1	4	0.170000000000000012
2593	757.669999999999959	C36H37O18	\N	\N	1	OC[C@@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2ccc(c(c2)O)O)O)O[C@@H]2O[C@@H](COC(=O)/C=C/c3ccc(cc3)O)[C@H]([C@@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	54	22	0.330000000000000016	11	18	11	181.789999999999992	298.889999999999986	-4.55999999999999961	-1.09000000000000008	-0.280000000000000027	-2.85000000000000009	-2.31999999999999984	-2.2200000000000002	-3.43000000000000016	0.283999999999999975	0.000375000000000000008	Soluble	-4.70000000000000018	0.0152	2.01000000000000007e-05	Moderately soluble	-1.21999999999999997	45.7999999999999972	0.0604000000000000023	Soluble	Low	No	Yes	No	No	No	No	No	-11.6999999999999993	3	3	2	1	4	0.170000000000000012
2594	773.669999999999959	C36H37O19	\N	\N	1	OC[C@@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2cc(O)c(c(c2)O)O)O)O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(cc3)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O	55	22	0.330000000000000016	11	19	12	183.810000000000002	319.120000000000005	-1.65999999999999992	-1.43999999999999995	-0.57999999999999996	-3.31000000000000005	-2.79000000000000004	-1.94999999999999996	-3.29999999999999982	0.388000000000000012	0.000501999999999999951	Soluble	-4.75999999999999979	0.0134999999999999998	1.73999999999999994e-05	Moderately soluble	-0.619999999999999996	186	0.239999999999999991	Soluble	Low	No	Yes	No	No	No	No	No	-12.0399999999999991	3	4	2	1	4	0.170000000000000012
2596	166.139999999999986	C6H6N4O2	\N	\N	1	O=c1[nH]c(=O)c2c([nH]1)ncn2C	12	9	0.170000000000000012	0	3	2	42.240000000000002	83.5400000000000063	0.660000000000000031	-0.890000000000000013	-1.05000000000000004	-0.469999999999999973	0.760000000000000009	-0.200000000000000011	-0.859999999999999987	22.6999999999999993	0.137000000000000011	Very soluble	-0.380000000000000004	68.9000000000000057	0.41499999999999998	Very soluble	-1.53000000000000003	4.84999999999999964	0.0292000000000000003	Soluble	High	No	No	No	No	No	No	No	-7.95000000000000018	0	2	0	0	1	0.550000000000000044
2597	951.809999999999945	C42H47O25	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2cc(O)c(c(c2)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(c(c3)O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	67	22	0.429999999999999993	14	25	16	217.960000000000008	418.5	-1.46999999999999997	-3.60000000000000009	-3.39999999999999991	-5.83999999999999986	-5.33999999999999986	-3.93000000000000016	-2.79000000000000004	1.54000000000000004	0.0016100000000000001	Soluble	-4.59999999999999964	0.0236999999999999988	2.48999999999999988e-05	Moderately soluble	1.8600000000000001	68800	72.2999999999999972	Soluble	Low	No	Yes	No	No	No	No	No	-14.6600000000000001	3	4	2	1	5	0.170000000000000012
2598	182.139999999999986	C6H6N4O3	\N	\N	1	O=c1[nH]c2[nH]c(=O)n(c2c(=O)[nH]1)C	13	9	0.170000000000000012	0	3	3	45.0600000000000023	103.510000000000005	0.359999999999999987	-1.17999999999999994	-1.76000000000000001	-0.530000000000000027	0.92000000000000004	-0.440000000000000002	-0.739999999999999991	33.2999999999999972	0.182999999999999996	Very soluble	-0.5	57.5	0.316000000000000003	Very soluble	-1.44999999999999996	6.45999999999999996	0.0354999999999999968	Soluble	High	No	No	No	No	No	No	No	-8.25	0	2	0	0	1	0.550000000000000044
2599	196.159999999999997	C7H8N4O3	\N	\N	1	Cn1c(=O)[nH]c2c1c(=O)n(c(=O)[nH]2)C	14	9	0.28999999999999998	0	3	2	49.9600000000000009	92.6500000000000057	0.979999999999999982	-0.220000000000000001	-1.75	-0.179999999999999993	0.270000000000000018	-0.179999999999999993	-1.3899999999999999	7.92999999999999972	0.0403999999999999984	Very soluble	-1.27000000000000002	10.5999999999999996	0.0539000000000000035	Very soluble	-1.02000000000000002	18.8999999999999986	0.0963999999999999996	Soluble	High	No	No	No	No	No	No	No	-7.65000000000000036	0	1	0	0	1	0.550000000000000044
2600	166.139999999999986	C6H6N4O2	\N	\N	1	O=c1[nH]c(=O)c2c(n1C)nc[nH]2	12	9	0.170000000000000012	0	3	2	42.240000000000002	83.5400000000000063	0.560000000000000053	-0.719999999999999973	-1.05000000000000004	-0.880000000000000004	0.760000000000000009	-0.270000000000000018	-0.969999999999999973	17.6999999999999993	0.106999999999999998	Very soluble	-0.560000000000000053	45.8999999999999986	0.276000000000000023	Very soluble	-1.53000000000000003	4.84999999999999964	0.0292000000000000003	Soluble	High	No	No	No	No	No	No	No	-7.82000000000000028	0	2	0	0	1	0.550000000000000044
2601	166.139999999999986	C6H6N4O2	\N	\N	1	Cn1c(=O)[nH]c2c(c1=O)[nH]cn2	12	9	0.170000000000000012	0	3	2	42.240000000000002	83.5400000000000063	0.67000000000000004	-0.270000000000000018	-1.05000000000000004	-0.469999999999999973	0.760000000000000009	-0.0700000000000000067	-1.25	9.24000000000000021	0.0555999999999999966	Very soluble	-1.03000000000000003	15.6999999999999993	0.0942999999999999949	Very soluble	-1.53000000000000003	4.84999999999999964	0.0292000000000000003	Soluble	High	No	No	No	No	No	No	No	-7.50999999999999979	0	2	0	0	1	0.550000000000000044
2603	196.159999999999997	C7H8N4O3	\N	\N	1	O=c1[nH]c(=O)c2c(n1C)[nH]c(=O)n2C	14	9	0.28999999999999998	0	3	2	49.9600000000000009	92.6500000000000057	0.910000000000000031	-1.33000000000000007	-1.75	-0.589999999999999969	0.270000000000000018	-0.5	-0.689999999999999947	39.7000000000000028	0.202000000000000013	Very soluble	-0.119999999999999996	150	0.764000000000000012	Very soluble	-1.02000000000000002	18.8999999999999986	0.0963999999999999996	Soluble	High	No	No	No	No	No	No	No	-8.4399999999999995	0	1	0	0	1	0.550000000000000044
2604	210.189999999999998	C8H10N4O3	\N	\N	1	Cn1c(=O)[nH]c2c1c(=O)n(c(=O)n2C)C	15	9	0.380000000000000004	0	3	1	54.8599999999999994	81.7900000000000063	1.48999999999999999	-0.369999999999999996	-1.73999999999999999	0.149999999999999994	-0.340000000000000024	-0.160000000000000003	-1.35000000000000009	9.30000000000000071	0.0442999999999999991	Very soluble	-0.880000000000000004	27.3999999999999986	0.130000000000000004	Very soluble	-0.57999999999999996	55.2000000000000028	0.262000000000000011	Soluble	High	No	No	No	No	No	No	No	-7.83999999999999986	0	1	0	0	0	0.550000000000000044
2605	627.529999999999973	C30H27O15	\N	\N	1	O=C(OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2cc(O)c(c(c2)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(c(c1)O)O	45	22	0.200000000000000011	8	15	10	153.710000000000008	260.199999999999989	-0.989999999999999991	0.0100000000000000002	1.64999999999999991	-1.64999999999999991	-1.16999999999999993	-0.429999999999999993	-3.56999999999999984	0.169000000000000011	0.000268999999999999979	Soluble	-5.03000000000000025	0.00591000000000000032	9.41999999999999959e-06	Moderately soluble	-1.8600000000000001	8.5600000000000005	0.0135999999999999992	Soluble	Low	No	No	No	No	No	No	No	-10.1199999999999992	3	3	1	1	4	0.170000000000000012
2606	579.529999999999973	C30H27O12	\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(cc1)O	42	22	0.200000000000000011	8	12	7	147.639999999999986	199.509999999999991	-0.770000000000000018	1.07000000000000006	2.54000000000000004	-0.220000000000000001	0.23000000000000001	0.569999999999999951	-3.9700000000000002	0.0626000000000000029	0.000107999999999999996	Soluble	-4.84999999999999964	0.00816000000000000059	1.41000000000000005e-05	Moderately soluble	-3.64999999999999991	0.129000000000000004	0.000222000000000000002	Soluble	Low	No	No	No	No	No	No	No	-9.08000000000000007	3	2	1	1	3	0.170000000000000012
2607	611.529999999999973	C30H27O14	\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(c(c1)O)O	44	22	0.200000000000000011	8	14	9	151.689999999999998	239.969999999999999	-1.43999999999999995	0.359999999999999987	1.94999999999999996	-1.17999999999999994	-0.699999999999999956	-0.200000000000000011	-3.70000000000000018	0.121999999999999997	0.000199000000000000012	Soluble	-4.95999999999999996	0.00664000000000000007	1.09000000000000007e-05	Moderately soluble	-2.45999999999999996	2.12000000000000011	0.00345999999999999997	Soluble	Low	No	No	No	No	No	No	No	-9.76999999999999957	3	3	1	1	4	0.170000000000000012
2608	611.529999999999973	C30H27O14	\N	\N	1	O=C(OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2cc(O)c(c(c2)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(cc1)O	44	22	0.200000000000000011	8	14	9	151.689999999999998	239.969999999999999	-0.790000000000000036	0.359999999999999987	1.94999999999999996	-1.17999999999999994	-0.699999999999999956	-0.0700000000000000067	-3.70000000000000018	0.121999999999999997	0.000199000000000000012	Soluble	-4.95999999999999996	0.00664000000000000007	1.09000000000000007e-05	Moderately soluble	-2.45999999999999996	2.12000000000000011	0.00345999999999999997	Soluble	Low	No	No	No	No	No	No	No	-9.76999999999999957	3	3	1	1	4	0.170000000000000012
2609	757.669999999999959	C36H37O18	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2ccc(cc2)O)O)O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(c(c3)O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	54	22	0.330000000000000016	11	18	11	181.789999999999992	298.889999999999986	-1.54000000000000004	-1.09000000000000008	-0.280000000000000027	-2.85000000000000009	-2.31999999999999984	-1.62000000000000011	-3.43000000000000016	0.283999999999999975	0.000375000000000000008	Soluble	-4.70000000000000018	0.0152	2.01000000000000007e-05	Moderately soluble	-1.21999999999999997	45.7999999999999972	0.0604000000000000023	Soluble	Low	No	Yes	No	No	No	No	No	-11.6999999999999993	3	3	2	1	4	0.170000000000000012
2610	773.669999999999959	C36H37O19	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2ccc(c(c2)O)O)O)O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(c(c3)O)O)[C@H]([C@@H]([C@@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O	55	22	0.330000000000000016	11	19	12	183.810000000000002	319.120000000000005	0.110000000000000001	-1.43999999999999995	-0.57999999999999996	-3.31000000000000005	-2.79000000000000004	-1.60000000000000009	-3.29999999999999982	0.388000000000000012	0.000501999999999999951	Soluble	-4.75999999999999979	0.0134999999999999998	1.73999999999999994e-05	Moderately soluble	-0.619999999999999996	186	0.239999999999999991	Soluble	Low	No	Yes	No	No	No	No	No	-12.0399999999999991	3	4	2	1	4	0.170000000000000012
2612	256.25	C15H12O4	\N	\N	1	Oc1cc(O)c(c(c1)O)C(=O)/C=C/c1ccccc1	19	12	0	3	4	3	72.3199999999999932	77.7600000000000051	1.09000000000000008	3.18000000000000016	2.58999999999999986	1.58000000000000007	2.47999999999999998	2.18000000000000016	-3.70000000000000018	0.0509000000000000008	0.000199000000000000012	Soluble	-4.48000000000000043	0.00841000000000000081	3.27999999999999977e-05	Moderately soluble	-3.22999999999999998	0.149999999999999994	0.000586000000000000041	Soluble	High	Yes	No	Yes	No	Yes	No	Yes	-5.61000000000000032	0	0	0	0	0	0.550000000000000044
2614	434.389999999999986	C21H22O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)/C=C/c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	31	12	0.28999999999999998	6	10	7	106.459999999999994	177.139999999999986	1.53000000000000003	0.729999999999999982	-0.23000000000000001	-1.5	-0.0500000000000000028	0.100000000000000006	-2.87999999999999989	0.567999999999999949	0.00130999999999999997	Soluble	-4.03000000000000025	0.0407000000000000001	9.35999999999999983e-05	Moderately soluble	-0.939999999999999947	49.7999999999999972	0.115000000000000005	Soluble	Low	No	Yes	No	No	No	No	No	-8.42999999999999972	1	0	1	1	2	0.550000000000000044
2615	450.389999999999986	C21H22O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)/C=C/c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	32	12	0.28999999999999998	6	11	8	108.489999999999995	197.370000000000005	1.26000000000000001	0.660000000000000031	-0.530000000000000027	-1.98999999999999999	-0.520000000000000018	-0.220000000000000001	-2.93000000000000016	0.529000000000000026	0.00118000000000000006	Soluble	-4.37999999999999989	0.0187000000000000013	4.16000000000000015e-05	Moderately soluble	-0.349999999999999978	201	0.447000000000000008	Soluble	Low	No	No	No	No	No	No	No	-8.58000000000000007	2	1	1	1	3	0.170000000000000012
2616	448.379999999999995	C21H20O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3O/C(=C\\c4ccc(c(c4)O)O)/C(=O)c3c(c2)O)[C@@H]([C@H]([C@@H]1O)O)O	32	12	0.28999999999999998	4	11	7	106.030000000000001	186.370000000000005	1.93999999999999995	0.92000000000000004	-0.510000000000000009	-1.98999999999999999	-0.330000000000000016	0.0100000000000000002	-3.20999999999999996	0.275000000000000022	0.000612000000000000022	Soluble	-4.41999999999999993	0.0171000000000000006	3.80000000000000021e-05	Moderately soluble	-1.10000000000000009	35.7000000000000028	0.0796000000000000041	Soluble	Low	No	Yes	No	No	No	No	No	-8.38000000000000078	2	1	1	1	3	0.170000000000000012
2617	464.379999999999995	C21H20O12	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3O/C(=C\\c4cc(O)c(c(c4)O)O)/C(=O)c3c(c2)O)[C@@H]([C@H]([C@@H]1O)O)O	33	12	0.28999999999999998	4	12	8	108.060000000000002	206.599999999999994	2	0.569999999999999951	-0.810000000000000053	-2.47999999999999998	-0.790000000000000036	-0.299999999999999989	-3.08000000000000007	0.383000000000000007	0.000824999999999999995	Soluble	-4.48000000000000043	0.0152999999999999994	3.30000000000000025e-05	Moderately soluble	-0.510000000000000009	144	0.309999999999999998	Soluble	Low	No	Yes	No	No	No	No	No	-8.73000000000000043	2	1	1	1	3	0.170000000000000012
2619	340.370000000000005	C20H20O5	\N	\N	1	CC(=CCc1c(O)cc(c(c1O)C(=O)/C=C/c1ccc(cc1)O)O)C	25	12	0.149999999999999994	5	5	4	98.0600000000000023	97.9899999999999949	2.33999999999999986	4.75	3.79999999999999982	2.14000000000000012	3.75999999999999979	3.35999999999999988	-4.96999999999999975	0.00366000000000000006	1.07999999999999999e-05	Moderately soluble	-6.54000000000000004	9.85999999999999979e-05	2.89999999999999976e-07	Poorly soluble	-3.89000000000000012	0.0439000000000000015	0.000128999999999999991	Soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5	0	0	0	0	0	0.550000000000000044
2620	354.399999999999977	C21H22O5	\N	\N	1	COc1cc(O)c(c(c1C(=O)/C=C/c1ccc(cc1)O)O)CC=C(C)C	26	12	0.190000000000000002	6	5	3	102.530000000000001	86.9899999999999949	2.93000000000000016	5.07000000000000028	4.11000000000000032	2.35999999999999988	4.30999999999999961	3.75999999999999979	-5.17999999999999972	0.00236000000000000012	6.64999999999999986e-06	Moderately soluble	-6.63999999999999968	8.13999999999999999e-05	2.29999999999999995e-07	Poorly soluble	-4.58000000000000007	0.00925999999999999913	2.61000000000000008e-05	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-4.86000000000000032	0	0	0	0	1	0.550000000000000044
2621	314.29000000000002	C17H14O6	\N	\N	1	CC(=O)O[C@@H]1[C@H](Oc2c(C1=O)c(O)cc(c2)O)c1ccccc1	23	12	0.179999999999999993	3	6	2	80.4500000000000028	93.0600000000000023	1.98999999999999999	2.22999999999999998	2.02000000000000002	0.849999999999999978	2.06000000000000005	1.83000000000000007	-3.37999999999999989	0.131000000000000005	0.000415000000000000004	Soluble	-3.81999999999999984	0.0476000000000000034	0.000152000000000000008	Soluble	-3.81999999999999984	0.0475000000000000006	0.000151000000000000011	Soluble	High	No	No	No	No	No	No	No	-6.62999999999999989	0	0	0	0	0	0.550000000000000044
2622	270.279999999999973	C16H14O4	\N	\N	1	COc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1	20	12	0.190000000000000002	2	4	1	74.019999999999996	55.759999999999998	2.75	3.20000000000000018	2.7799999999999998	1.52000000000000002	3.06000000000000005	2.66000000000000014	-3.83999999999999986	0.0386999999999999983	0.000143000000000000006	Soluble	-4.04000000000000004	0.0245000000000000009	9.06000000000000067e-05	Moderately soluble	-4.70000000000000018	0.00544000000000000039	2.01000000000000007e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	Yes	-5.67999999999999972	0	0	0	0	0	0.550000000000000044
2623	464.420000000000016	C22H24O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3O[C@@H](CC(=O)c3c(c2)O)c2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O	33	12	0.409999999999999976	5	11	6	110.180000000000007	175.370000000000005	2.95000000000000018	0.800000000000000044	-0.330000000000000016	-1.69999999999999996	-0.0400000000000000008	0.340000000000000024	-3.16000000000000014	0.319000000000000006	0.000688000000000000026	Soluble	-4.05999999999999961	0.0400999999999999968	8.6299999999999997e-05	Moderately soluble	-1.80000000000000004	7.30999999999999961	0.0156999999999999987	Soluble	Low	No	Yes	No	No	No	No	No	-8.5600000000000005	2	0	1	1	3	0.170000000000000012
2624	610.519999999999982	C27H30O16	\N	\N	1	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)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	43	16	0.440000000000000002	7	16	10	140.52000000000001	269.430000000000007	0.349999999999999978	-0.880000000000000004	-2.41999999999999993	-4.16000000000000014	-2.24000000000000021	-1.87000000000000011	-2.87999999999999989	0.797000000000000042	0.00130999999999999997	Soluble	-4.29999999999999982	0.0309000000000000004	5.05999999999999967e-05	Moderately soluble	-0.309999999999999998	302	0.493999999999999995	Soluble	Low	No	Yes	No	No	No	No	No	-10.6500000000000004	3	4	1	1	4	0.170000000000000012
2626	68.1200000000000045	C5H8	\N	\N	1	C=CC(=C)C	5	0	0.200000000000000011	1	0	0	25.1999999999999993	0	1.8600000000000001	2.41999999999999993	1.75	1.96999999999999997	1.16999999999999993	1.83000000000000007	-1.71999999999999997	1.30000000000000004	0.0189999999999999995	Very soluble	-2.06000000000000005	0.589999999999999969	0.0086599999999999993	Soluble	-1.01000000000000001	6.66999999999999993	0.0979000000000000009	Soluble	Low	No	No	No	No	No	No	No	-5	0	3	0	0	2	0.550000000000000044
2627	733.799999999999955	C40H47NO12	\N	\N	1	O=C(O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)O)OC(=O)C)C[C@H](c1ccccc1)N	53	12	0.530000000000000027	12	13	3	187.990000000000009	197.97999999999999	4.44000000000000039	2.29000000000000004	2.9700000000000002	1.62999999999999989	3.85999999999999988	3.04000000000000004	-5.20999999999999996	0.00455000000000000022	6.19999999999999993e-06	Moderately soluble	-6.08999999999999986	0.00060300000000000002	8.22000000000000028e-07	Poorly soluble	-7.04999999999999982	6.51999999999999992e-05	8.88999999999999953e-08	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-9.15000000000000036	2	3	2	1	3	0.170000000000000012
2628	749.799999999999955	C40H47NO13	\N	\N	1	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)N)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C	54	12	0.530000000000000027	12	14	4	189.150000000000006	218.210000000000008	3.45000000000000018	1.73999999999999999	1.93999999999999995	0.890000000000000013	3.10000000000000009	2.2200000000000002	-4.95999999999999996	0.00826999999999999957	1.09999999999999997e-05	Moderately soluble	-5.94000000000000039	0.000862000000000000027	1.15e-06	Moderately soluble	-6.08999999999999986	0.000601999999999999996	8.04000000000000053e-07	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-9.64000000000000057	2	3	2	1	3	0.170000000000000012
2629	586.67999999999995	C33H38N4O6	\N	\N	1	CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)OC(=O)N1CCC(CC1)N1CCCCC1	43	16	0.520000000000000018	6	8	1	169.629999999999995	114.200000000000003	4.96999999999999975	3.74000000000000021	3.06999999999999984	2.54999999999999982	4.33000000000000007	3.72999999999999998	-5.70999999999999996	0.00113999999999999995	1.94000000000000006e-06	Moderately soluble	-5.83000000000000007	0.000867000000000000041	1.48000000000000002e-06	Moderately soluble	-7.28000000000000025	3.08999999999999989e-05	5.26000000000000012e-08	Poorly soluble	High	No	Yes	No	No	Yes	Yes	Yes	-7.21999999999999975	1	3	0	0	0	0.550000000000000044
2630	195.259999999999991	C10H17N3O	\N	\N	1	CC(CC(=O)NCCc1[nH]cnc1)C	14	5	0.599999999999999978	6	2	2	55.3999999999999986	57.7800000000000011	1.44999999999999996	0.939999999999999947	1.1100000000000001	0.209999999999999992	1.96999999999999997	1.1399999999999999	-1.51000000000000001	6.01999999999999957	0.030800000000000001	Very soluble	-1.73999999999999999	3.54999999999999982	0.0182000000000000009	Very soluble	-3.2799999999999998	0.102999999999999994	0.00052800000000000004	Soluble	High	Yes	No	No	No	No	No	No	-6.82000000000000028	0	0	0	0	1	0.550000000000000044
2631	271.310000000000002	C16H17NO3	\N	\N	1	COc1ccc2c3c1O[C@@H]1[C@@]3(CCNC2)C=CC(=O)C1	20	6	0.440000000000000002	1	4	1	78.1800000000000068	47.5600000000000023	2.25	1.28000000000000003	1.17999999999999994	1.40999999999999992	2.70000000000000018	1.77000000000000002	-2.47999999999999998	0.889000000000000012	0.00327999999999999993	Soluble	-1.87999999999999989	3.58999999999999986	0.0131999999999999999	Very soluble	-3.99000000000000021	0.0280000000000000006	0.000102999999999999996	Soluble	High	Yes	Yes	No	No	No	Yes	No	-7.04999999999999982	0	0	0	0	0	0.550000000000000044
2632	373.439999999999998	C21H27NO5	\N	\N	1	COc1cc(CC[C@@H]2N(C)CCc3c2cc(O)c(c3)OC)cc(c1OC)O	27	12	0.429999999999999993	6	6	2	108.310000000000002	71.3900000000000006	3.70999999999999996	3.33999999999999986	2.58000000000000007	1.65999999999999992	3.37999999999999989	2.93000000000000016	-4.19000000000000039	0.0240000000000000005	6.4200000000000002e-05	Moderately soluble	-4.51999999999999957	0.0114000000000000004	3.04999999999999994e-05	Moderately soluble	-5.21999999999999975	0.00223000000000000021	5.96999999999999959e-06	Moderately soluble	High	Yes	No	Yes	No	No	Yes	No	-6.20999999999999996	0	0	0	0	0	0.550000000000000044
2634	385.449999999999989	C22H27NO5	\N	\N	1	COC1=C[C@]23CCN([C@H](C2=CC1=O)CCc1c3c(OC)c(c(c1)OC)OC)C	28	6	0.5	4	6	0	109.420000000000002	57.2299999999999969	3.35999999999999988	2.60000000000000009	2.25999999999999979	1.34000000000000008	3.18999999999999995	2.54999999999999982	-3.75999999999999979	0.0666000000000000064	0.000173000000000000004	Soluble	-3.45000000000000018	0.13600000000000001	0.000353999999999999985	Soluble	-4.75999999999999979	0.00664999999999999966	1.73000000000000004e-05	Moderately soluble	High	Yes	No	No	No	Yes	Yes	Yes	-6.80999999999999961	0	0	0	0	0	0.550000000000000044
2635	399.439999999999998	C22H25NO6	\N	\N	1	O=CN([C@H]1CCc2c(c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC)C	29	13	0.359999999999999987	6	6	0	109.840000000000003	74.2999999999999972	3.29999999999999982	1.55000000000000004	2.5	1.41999999999999993	3.60999999999999988	2.47999999999999998	-3.22999999999999998	0.235999999999999988	0.000591000000000000054	Soluble	-2.7200000000000002	0.76100000000000001	0.00191000000000000002	Soluble	-5.94000000000000039	0.000453999999999999976	1.1400000000000001e-06	Moderately soluble	High	Yes	Yes	No	Yes	Yes	Yes	Yes	-7.63999999999999968	0	0	0	0	0	0.550000000000000044
2636	371.430000000000007	C21H25NO5	\N	\N	1	COc1cc2CCN([C@H]3c2c(c1O)c1c(CC3)cc(c(c1OC)OC)O)C	27	12	0.429999999999999993	3	6	2	107.299999999999997	71.3900000000000006	3.29000000000000004	3.04999999999999982	2.56000000000000005	1.65999999999999992	3.25	2.75999999999999979	-4.20000000000000018	0.0236999999999999988	6.38000000000000058e-05	Moderately soluble	-4.21999999999999975	0.0225999999999999986	6.09000000000000031e-05	Moderately soluble	-4.96999999999999975	0.00400999999999999968	1.07999999999999999e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.40000000000000036	0	0	0	0	0	0.550000000000000044
2637	385.449999999999989	C22H27NO5	\N	\N	1	COc1c(OC)cc2c(c1OC)c1c(O)c(OC)cc3c1[C@@H](CC2)N(CC3)C	28	12	0.450000000000000011	4	6	1	111.769999999999996	60.3900000000000006	3.60000000000000009	3.37000000000000011	2.85999999999999988	1.87999999999999989	3.79999999999999982	3.10000000000000009	-4.41000000000000014	0.0151000000000000006	3.92999999999999998e-05	Moderately soluble	-4.32000000000000028	0.0185999999999999985	4.83000000000000017e-05	Moderately soluble	-5.66000000000000014	0.000845000000000000048	2.19000000000000021e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.25999999999999979	0	0	0	0	0	0.550000000000000044
2638	498.529999999999973	C26H30N2O8	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@H]([C@H]2C=C)C[C@@H]2N(C3=O)CCc3c2[nH]c2c3cccc2)[C@@H]([C@H]([C@@H]1O)O)O	36	9	0.5	4	8	5	130.650000000000006	144.710000000000008	2.52000000000000002	0.409999999999999976	-0.23000000000000001	-0.429999999999999993	0.23000000000000001	0.5	-3.10999999999999988	0.387000000000000011	0.000775999999999999997	Soluble	-3.02000000000000002	0.480999999999999983	0.000965000000000000037	Soluble	-1.93999999999999995	5.75	0.0114999999999999998	Soluble	Low	No	Yes	No	No	No	No	No	-9.05000000000000071	0	2	1	1	0	0.560000000000000053
2640	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	2.41999999999999993	0.939999999999999947	-0.140000000000000013	0.479999999999999982	0.839999999999999969	0.910000000000000031	-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
2641	256.25	C15H12O4	\N	\N	1	OCc1cc2Cc3cccc(c3C(=O)c2c(c1)O)O	19	12	0.130000000000000004	1	4	3	69.5	77.7600000000000051	2.33000000000000007	2.31000000000000005	1.57000000000000006	1	2.74000000000000021	1.98999999999999999	-3.29000000000000004	0.133000000000000007	0.000518000000000000014	Soluble	-3.58000000000000007	0.0671999999999999958	0.000262000000000000026	Soluble	-4.04000000000000004	0.0235000000000000001	9.16000000000000039e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-6.21999999999999975	0	0	0	0	0	0.550000000000000044
2642	154.25	C10H18O	\N	\N	1	CC1=CC[C@H](CC1)C(O)(C)C	11	0	0.800000000000000044	1	1	1	48.7999999999999972	20.2300000000000004	2.08999999999999986	3.39000000000000012	2.5	2.29999999999999982	2.16999999999999993	2.49000000000000021	-2.87000000000000011	0.209999999999999992	0.0013600000000000001	Soluble	-3.49000000000000021	0.0495000000000000023	0.000320999999999999996	Soluble	-1.68999999999999995	3.16999999999999993	0.0206000000000000003	Soluble	High	Yes	No	No	No	No	No	No	-4.83000000000000007	0	1	0	0	2	0.550000000000000044
2643	204.349999999999994	C15H24	\N	\N	1	CC(=CCCC(=C)[C@H]1CCC(=CC1)C)C	15	0	0.599999999999999978	4	0	0	70.6800000000000068	0	3.66999999999999993	6.42999999999999972	5.04000000000000004	4.53000000000000025	4.5	4.83000000000000007	-4.88999999999999968	0.00260999999999999991	1.27999999999999994e-05	Moderately soluble	-6.21999999999999975	0.000121999999999999997	5.98000000000000034e-07	Poorly soluble	-3.58000000000000007	0.0536000000000000018	0.000262000000000000026	Soluble	Low	No	No	No	No	Yes	No	No	-2.97999999999999998	1	0	0	0	2	0.550000000000000044
2644	136.22999999999999	C10H16	\N	\N	1	C=C1CC[C@@]2([C@H]1C2)C(C)C	10	0	0.800000000000000044	1	0	0	45.2199999999999989	0	2.66000000000000014	3.08999999999999986	3	4.29000000000000004	3.22999999999999998	3.25	-2.56999999999999984	0.370999999999999996	0.0027200000000000002	Soluble	-2.75999999999999979	0.237999999999999989	0.00175000000000000004	Soluble	-2.47999999999999998	0.455000000000000016	0.00334000000000000009	Soluble	Low	Yes	No	No	No	No	No	No	-4.94000000000000039	1	1	0	0	2	0.550000000000000044
2645	218.330000000000013	C15H22O	\N	\N	1	C/C(=C\\CCc1cocc1)/CCC=C(C)C	16	5	0.469999999999999973	6	1	0	70.7999999999999972	13.1400000000000006	3.66999999999999993	5.07000000000000028	4.90000000000000036	3.33000000000000007	4.65000000000000036	4.32000000000000028	-4.21999999999999975	0.0131000000000000005	5.97999999999999967e-05	Moderately soluble	-5.08999999999999986	0.0017799999999999999	8.1599999999999998e-06	Moderately soluble	-4.58000000000000007	0.00576000000000000036	2.64000000000000013e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	No	No	-4.03000000000000025	0	0	0	0	2	0.550000000000000044
2647	252.389999999999986	C16H28O2	\N	\N	1	OC(=O)CCCCCCCCCC[C@@H]1CCC=C1	18	0	0.810000000000000053	11	2	1	78.2099999999999937	37.2999999999999972	3.52000000000000002	5.90000000000000036	4.94000000000000039	3.68999999999999995	4.37000000000000011	4.49000000000000021	-4.40000000000000036	0.0100999999999999996	4.02000000000000014e-05	Moderately soluble	-6.45999999999999996	8.81000000000000001e-05	3.49000000000000015e-07	Poorly soluble	-4	0.0254999999999999984	0.000101000000000000002	Soluble	High	Yes	No	Yes	Yes	Yes	No	No	-3.64999999999999991	0	0	1	0	1	0.560000000000000053
2648	848.759999999999991	C42H40O19	\N	\N	1	OCc1cc(O)c2c(c1)[C@H]([C@@H]1c3cccc(c3C(=O)c3c1cc(cc3O)C(=O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(ccc1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	61	24	0.359999999999999987	9	19	12	201.960000000000008	330.889999999999986	3.87000000000000011	0.780000000000000027	-1.44999999999999996	-3.18000000000000016	-0.299999999999999989	-0.0599999999999999978	-5.29000000000000004	0.00434000000000000011	5.12000000000000011e-06	Moderately soluble	-7.30999999999999961	4.16000000000000015e-05	4.91000000000000029e-08	Poorly soluble	-3.37999999999999989	0.349999999999999978	0.000411999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-10.9199999999999999	3	4	1	1	5	0.110000000000000001
2649	848.759999999999991	C42H40O19	\N	\N	1	OCc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cccc(c3C(=O)c3c1cc(cc3O)C(=O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(ccc1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	61	24	0.359999999999999987	9	19	12	201.960000000000008	330.889999999999986	2.4700000000000002	0.780000000000000027	-1.44999999999999996	-3.18000000000000016	-0.299999999999999989	-0.340000000000000024	-5.29000000000000004	0.00434000000000000011	5.12000000000000011e-06	Moderately soluble	-7.30999999999999961	4.16000000000000015e-05	4.91000000000000029e-08	Poorly soluble	-3.37999999999999989	0.349999999999999978	0.000411999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-10.9199999999999999	3	4	1	1	5	0.110000000000000001
2650	580.529999999999973	C27H32O14	\N	\N	1	OCc1cc(O)c2c(c1)[C@H]([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(ccc1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	41	12	0.520000000000000018	6	14	10	134.080000000000013	247.060000000000002	1.21999999999999997	-1.92999999999999994	-3.56999999999999984	-3.70999999999999996	-1.91999999999999993	-1.97999999999999998	-2.04000000000000004	5.25	0.00903999999999999942	Soluble	-2.74000000000000021	1.06000000000000005	0.00183000000000000003	Soluble	-0.0100000000000000002	574	0.98899999999999999	Soluble	Low	No	No	No	No	No	No	No	-11.2100000000000009	3	4	1	1	3	0.170000000000000012
2651	564.539999999999964	C27H32O13	\N	\N	1	OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c([C@@H]3[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)cc(cc2O)C)[C@@H]([C@H]([C@@H]1O)O)O	40	12	0.520000000000000018	5	13	9	132.919999999999987	226.830000000000013	1.51000000000000001	-0.680000000000000049	-2.60000000000000009	-2.95999999999999996	-1.32000000000000006	-1.20999999999999996	-2.79999999999999982	0.887000000000000011	0.00157	Soluble	-3.60999999999999988	0.139000000000000012	0.000246000000000000016	Soluble	-0.57999999999999996	147	0.26100000000000001	Soluble	Low	No	Yes	No	No	No	No	No	-10.2300000000000004	3	4	1	1	3	0.170000000000000012
2652	580.529999999999973	C27H32O14	\N	\N	1	OCc1cc(O)c2c(c1)[C@H]([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(ccc1)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	41	12	0.520000000000000018	6	14	10	134.080000000000013	247.060000000000002	1.21999999999999997	-1.92999999999999994	-3.56999999999999984	-3.70999999999999996	-1.91999999999999993	-1.97999999999999998	-2.04000000000000004	5.25	0.00903999999999999942	Soluble	-2.74000000000000021	1.06000000000000005	0.00183000000000000003	Soluble	-0.0100000000000000002	574	0.98899999999999999	Soluble	Low	No	No	No	No	No	No	No	-11.2100000000000009	3	4	1	1	3	0.170000000000000012
2653	578.519999999999982	C27H30O14	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)cc3c2C(=O)c2c(C3=O)cc(cc2O)C)[C@@H]([C@H]([C@@H]1O)O)O	41	12	0.479999999999999982	5	14	8	133.870000000000005	232.900000000000006	2.5299999999999998	-0.390000000000000013	-2.14000000000000012	-3.10999999999999988	-1.05000000000000004	-0.82999999999999996	-3.06999999999999984	0.494999999999999996	0.00085599999999999999	Soluble	-4.04000000000000004	0.0531000000000000014	9.17000000000000063e-05	Moderately soluble	-0.979999999999999982	60.2999999999999972	0.103999999999999995	Soluble	Low	No	Yes	No	No	No	No	No	-10.1099999999999994	3	4	1	1	3	0.170000000000000012
2655	204.349999999999994	C15H24	\N	\N	1	CC(=CCC/C(=C\\1/CCC(=CC1)C)/C)C	15	0	0.599999999999999978	3	0	0	70.6800000000000068	0	3.62999999999999989	6.33000000000000007	5.17999999999999972	4.53000000000000025	4.61000000000000032	4.86000000000000032	-4.90000000000000036	0.00258999999999999985	1.27000000000000004e-05	Moderately soluble	-6.12000000000000011	0.000155	7.58999999999999954e-07	Poorly soluble	-3.7799999999999998	0.0337999999999999967	0.000164999999999999999	Soluble	Low	No	No	Yes	No	Yes	No	No	-3.04999999999999982	1	0	0	0	2	0.550000000000000044
2656	424.399999999999977	C20H24O10	\N	\N	1	O=C1O[C@@H]2[C@H]([C@@H]1C)[C@@]13[C@]4([C@@H]2O)[C@H](OC3=O)[C@@H]([C@H]([C@@]24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C)O	30	0	0.849999999999999978	1	10	3	93.25	148.819999999999993	1.23999999999999999	-0.299999999999999989	-1.51000000000000001	0.0599999999999999978	-0.469999999999999973	-0.200000000000000011	-2.2200000000000002	2.58000000000000007	0.00608000000000000033	Soluble	-2.37000000000000011	1.83000000000000007	0.0043099999999999996	Soluble	-0.320000000000000007	205	0.482999999999999985	Soluble	Low	No	Yes	No	No	No	No	No	-9.09999999999999964	0	1	1	1	0	0.550000000000000044
2679	344.319999999999993	C18H16O7	\N	\N	1	COc1c(OC)cc2c(c1O)C(=O)c1c(C2=O)cc(c(c1OC)O)C	25	12	0.220000000000000001	3	7	2	88.2399999999999949	102.290000000000006	2.60000000000000009	2.99000000000000021	2.20999999999999996	0.0200000000000000004	3.18999999999999995	2.20000000000000018	-4.01999999999999957	0.0332000000000000003	9.6500000000000001e-05	Moderately soluble	-4.79999999999999982	0.00542999999999999993	1.58000000000000012e-05	Moderately soluble	-4.83000000000000007	0.00512000000000000042	1.48999999999999996e-05	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-6.28000000000000025	0	0	0	0	0	0.550000000000000044
2657	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	4.53000000000000025	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
2658	198.300000000000011	C12H22O2	\N	\N	1	C[C@@H]1CC[C@H]([C@H](C1)OC(=O)C)C(C)C	14	0	0.92000000000000004	3	2	0	58.9699999999999989	26.3000000000000007	2.7200000000000002	4	3.00999999999999979	2.75999999999999979	2.49000000000000021	3	-3.39000000000000012	0.0805000000000000021	0.000406000000000000002	Soluble	-4.25	0.0109999999999999994	5.56999999999999986e-05	Moderately soluble	-2.14999999999999991	1.40999999999999992	0.00713000000000000005	Soluble	High	Yes	No	No	No	Yes	No	No	-4.66999999999999993	0	0	0	0	1	0.550000000000000044
2659	204.349999999999994	C15H24	\N	\N	1	C=C1CCC=C(C)CCCC(C=C1)(C)C	15	0	0.599999999999999978	0	0	0	70.4200000000000017	0	3.24000000000000021	5.03000000000000025	5.04000000000000004	4.53000000000000025	4.19000000000000039	4.41000000000000014	-4.28000000000000025	0.0108000000000000006	5.30000000000000008e-05	Moderately soluble	-4.76999999999999957	0.00345999999999999997	1.69000000000000008e-05	Moderately soluble	-3.77000000000000002	0.0349000000000000005	0.000171000000000000009	Soluble	Low	No	No	No	No	Yes	No	No	-3.97999999999999998	1	0	0	0	2	0.550000000000000044
2661	192.169999999999987	C10H8O4	\N	\N	1	O=C1C=C[C@@]2(O1)CC[C@@]12C=CC(=O)O1	14	0	0.400000000000000022	0	4	0	45.5399999999999991	52.6000000000000014	1.62999999999999989	0.409999999999999976	0.479999999999999982	0.969999999999999973	1.21999999999999997	0.939999999999999947	-1.29000000000000004	9.85999999999999943	0.0512999999999999984	Very soluble	-1.08000000000000007	15.9000000000000004	0.0829000000000000015	Very soluble	-0.949999999999999956	21.5	0.112000000000000002	Soluble	High	No	No	No	No	No	No	No	-7.17999999999999972	0	0	0	0	1	0.550000000000000044
2662	534.549999999999955	C27H34O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc(cc2OC)C[C@H]2C(=O)OC[C@@H]2Cc2ccc(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O	38	12	0.520000000000000018	10	11	4	132.719999999999999	153.370000000000005	2.74000000000000021	1.78000000000000003	0.469999999999999973	-0.110000000000000001	1.92999999999999994	1.3600000000000001	-3.85000000000000009	0.0756000000000000005	0.000141000000000000012	Soluble	-4.62000000000000011	0.0129	2.40000000000000006e-05	Moderately soluble	-3.99000000000000021	0.0551000000000000031	0.000102999999999999996	Soluble	Low	No	Yes	No	No	No	No	Yes	-8.30000000000000071	2	3	1	1	2	0.170000000000000012
2663	134.180000000000007	C9H10O	\N	\N	1	C=CCc1ccc(cc1)O	10	6	0.110000000000000001	2	1	1	42.5700000000000003	20.2300000000000004	1.85000000000000009	2.85000000000000009	2.12000000000000011	2.37000000000000011	2.4700000000000002	2.33000000000000007	-2.7799999999999998	0.223000000000000004	0.00166000000000000002	Soluble	-2.93000000000000016	0.156	0.00117000000000000003	Soluble	-2.64000000000000012	0.306999999999999995	0.00228999999999999993	Soluble	High	Yes	No	Yes	No	No	No	No	-5.08999999999999986	0	1	0	0	2	0.550000000000000044
2664	472.699999999999989	C30H48O4	\N	\N	1	O[C@@H]1C[C@@]2(C)[C@H](C([C@H]1O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C	34	0	0.900000000000000022	1	4	3	137.819999999999993	77.7600000000000051	3.64999999999999991	6.50999999999999979	6.20000000000000018	4.96999999999999975	4.95999999999999996	5.25999999999999979	-6.80999999999999961	7.38999999999999938e-05	1.55999999999999994e-07	Poorly soluble	-7.94000000000000039	5.42999999999999968e-06	1.15000000000000004e-08	Poorly soluble	-5.29999999999999982	0.00237000000000000014	5.02000000000000022e-06	Moderately soluble	High	No	Yes	No	No	No	No	No	-4.55999999999999961	1	3	0	1	1	0.560000000000000053
2665	307.430000000000007	C18H29NO3	\N	\N	1	COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O	22	6	0.609999999999999987	11	3	2	90.9899999999999949	58.5600000000000023	3.14000000000000012	4.44000000000000039	3.85999999999999988	2.7799999999999998	4.28000000000000025	3.70000000000000018	-4.01999999999999957	0.0293999999999999991	9.56999999999999951e-05	Moderately soluble	-5.38999999999999968	0.00126000000000000005	4.0899999999999998e-06	Moderately soluble	-5.58999999999999986	0.000784999999999999999	2.55000000000000015e-06	Moderately soluble	High	Yes	No	Yes	No	No	Yes	No	-5.01999999999999957	0	0	1	0	0	0.550000000000000044
2666	370.399999999999977	C21H22O6	\N	\N	1	COc1cc(ccc1OC)[C@H]1OC[C@@H]2[C@H]1CO[C@H]2c1ccc2c(c1)OCO2	27	12	0.429999999999999993	4	6	0	96.9200000000000017	55.3800000000000026	3.64000000000000012	2.81000000000000005	2.85999999999999988	1.79000000000000004	3.47999999999999998	2.91999999999999993	-3.9700000000000002	0.0395000000000000004	0.000106999999999999999	Soluble	-3.62999999999999989	0.0868000000000000022	0.000233999999999999996	Soluble	-5.08999999999999986	0.00303000000000000014	8.17999999999999961e-06	Moderately soluble	High	Yes	No	No	No	No	Yes	Yes	-6.55999999999999961	0	0	0	0	0	0.550000000000000044
2667	432.639999999999986	C27H44O4	\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[C@H]([C@@H](C3)O)O)C	31	0	1	0	4	2	123.230000000000004	58.9200000000000017	4.41000000000000014	5.51999999999999957	4.75999999999999979	4.23000000000000043	3.39999999999999991	4.46999999999999975	-6	0.000433000000000000008	9.99999999999999955e-07	Moderately soluble	-6.51999999999999957	0.00013200000000000001	3.04000000000000022e-07	Poorly soluble	-3.68999999999999995	0.0887000000000000011	0.000204999999999999996	Soluble	High	Yes	Yes	No	No	No	No	No	-5.01999999999999957	1	1	0	0	1	0.550000000000000044
2669	392.490000000000009	C22H32O6	\N	\N	1	CO[C@H]1[C@H](C)[C@@H]2CC(=O)O[C@H]3[C@@]2([C@H]([C@@H]1O)[C@]1(C)[C@@H](C3)[C@H](C)C=C(C1=O)OC)C	28	0	0.819999999999999951	2	6	1	103.230000000000004	82.0600000000000023	3.12000000000000011	2.5299999999999998	2.33999999999999986	1.6100000000000001	2.10999999999999988	2.33999999999999986	-3.74000000000000021	0.0722000000000000003	0.000184	Soluble	-3.89999999999999991	0.0493999999999999995	0.000126	Soluble	-2.87999999999999989	0.52200000000000002	0.00133000000000000002	Soluble	High	No	Yes	No	No	No	No	No	-6.90000000000000036	0	0	0	0	0	0.550000000000000044
2670	434.519999999999982	C24H34O7	\N	\N	1	CO[C@H]1[C@H](C)[C@@H]2CC(=O)O[C@H]3[C@@]2([C@H]([C@@H]1OC(=O)C)[C@]1(C)[C@@H](C3)[C@H](C)C=C(C1=O)OC)C	31	0	0.790000000000000036	4	7	0	112.969999999999999	88.1299999999999955	2.95000000000000018	3.10000000000000009	2.91000000000000014	1.94999999999999996	2.62000000000000011	2.70999999999999996	-4.21999999999999975	0.0259999999999999988	5.97999999999999967e-05	Moderately soluble	-4.62000000000000011	0.0105000000000000007	2.40999999999999997e-05	Moderately soluble	-3.49000000000000021	0.140999999999999986	0.000324000000000000015	Soluble	High	No	Yes	No	No	No	No	No	-6.75	0	0	0	0	0	0.550000000000000044
2671	450.519999999999982	C24H34O8	\N	\N	1	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)[C@H]1[C@H](OC(=O)C)[C@@H](OC)[C@@]([C@H]3[C@@]1([C@@H](C2)OC(=O)C3)C)(C)O	32	0	0.790000000000000036	4	8	1	114.170000000000002	108.359999999999999	2.85999999999999988	1.87999999999999989	2.0299999999999998	1.16999999999999993	2.12999999999999989	2.00999999999999979	-3.54999999999999982	0.126000000000000001	0.000279000000000000005	Soluble	-3.7799999999999998	0.075200000000000003	0.000166999999999999994	Soluble	-3.12000000000000011	0.343000000000000027	0.000760000000000000042	Soluble	High	No	Yes	No	No	No	No	No	-7.70999999999999996	0	0	0	0	0	0.550000000000000044
2672	408.490000000000009	C22H32O7	\N	\N	1	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)[C@H]1[C@H](O)[C@@H](OC)[C@@]([C@H]3[C@@]1([C@@H](C2)OC(=O)C3)C)(C)O	29	0	0.819999999999999951	2	7	2	104.430000000000007	102.290000000000006	2.70999999999999996	1.30000000000000004	1.45999999999999996	0.810000000000000053	1.62000000000000011	1.58000000000000007	-3.06000000000000005	0.355999999999999983	0.000872000000000000054	Soluble	-3.04999999999999982	0.364999999999999991	0.000894999999999999962	Soluble	-2.50999999999999979	1.27000000000000002	0.00310999999999999992	Soluble	High	No	Yes	No	No	No	No	No	-7.87000000000000011	0	0	0	0	0	0.550000000000000044
2673	424.480000000000018	C22H32O8	\N	\N	1	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)[C@H]1[C@H](O)[C@@H](OC)[C@@]([C@]3([C@@]1([C@@H](C2)OC(=O)C3)C)O)(C)O	30	0	0.819999999999999951	2	8	3	105.629999999999995	122.519999999999996	2.5299999999999998	0.239999999999999991	0.569999999999999951	0.0200000000000000004	1.12999999999999989	0.900000000000000022	-2.49000000000000021	1.37000000000000011	0.0032299999999999998	Soluble	-2.37000000000000011	1.80000000000000004	0.00423000000000000025	Soluble	-2.14000000000000012	3.10000000000000009	0.00728999999999999961	Soluble	High	No	Yes	No	No	No	No	No	-8.72000000000000064	0	0	0	0	0	0.550000000000000044
2674	406.470000000000027	C22H30O7	\N	\N	1	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)[C@H]1[C@H](O)[C@@H](OC)[C@@](C3=CC(=O)O[C@H](C2)[C@]13C)(C)O	29	0	0.729999999999999982	2	7	2	103.959999999999994	102.290000000000006	2.9700000000000002	0.910000000000000031	1.37999999999999989	0.719999999999999973	1.60000000000000009	1.51000000000000001	-2.79999999999999982	0.642000000000000015	0.00158000000000000002	Soluble	-2.64000000000000012	0.923000000000000043	0.00226999999999999988	Soluble	-2.49000000000000021	1.32000000000000006	0.00323999999999999982	Soluble	High	No	Yes	No	No	No	No	No	-8.13000000000000078	0	0	0	0	0	0.550000000000000044
2675	406.470000000000027	C22H30O7	\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@@]([C@H]3[C@@]1([C@@H](C2)OC(=O)C3)C)(C)O	29	0	0.819999999999999951	1	7	1	102.239999999999995	91.2900000000000063	2.75	1.70999999999999996	1.82000000000000006	1.20999999999999996	1.8899999999999999	1.87999999999999989	-3.37000000000000011	0.172999999999999987	0.000424999999999999976	Soluble	-3.24000000000000021	0.232000000000000012	0.000572000000000000026	Soluble	-2.70999999999999996	0.794000000000000039	0.00194999999999999991	Soluble	High	No	Yes	No	No	No	No	No	-7.57000000000000028	0	0	0	0	0	0.550000000000000044
2677	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@@]([C@H]3[C@@]1([C@@H](C2)OC(=O)C3)C)(C)O	28	0	0.810000000000000053	1	7	3	99.7000000000000028	113.290000000000006	1.82000000000000006	0.770000000000000018	0.800000000000000044	0.589999999999999969	1.07000000000000006	1.01000000000000001	-2.70000000000000018	0.778000000000000025	0.00196999999999999996	Soluble	-2.72999999999999998	0.735999999999999988	0.00186999999999999992	Soluble	-1.82000000000000006	6.03000000000000025	0.0152999999999999994	Soluble	High	No	Yes	No	No	No	No	No	-8.16000000000000014	0	0	0	0	0	0.550000000000000044
2678	284.259999999999991	C16H12O5	\N	\N	1	COc1c2c(cc(c1O)C)C(=O)c1c(C2=O)c(O)ccc1	21	12	0.119999999999999996	1	5	2	75.25	83.8299999999999983	2.2200000000000002	3.04000000000000004	2.18999999999999995	0.609999999999999987	3.06999999999999984	2.22999999999999998	-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	Yes	No	Yes	-5.87999999999999989	0	0	0	0	0	0.550000000000000044
2680	284.259999999999991	C16H12O5	\N	\N	1	COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C	21	12	0.119999999999999996	1	5	2	75.25	83.8299999999999983	2.49000000000000021	3.04000000000000004	2.18999999999999995	0.609999999999999987	3.06999999999999984	2.2799999999999998	-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	Yes	No	Yes	-5.87999999999999989	0	0	0	0	0	0.550000000000000044
2681	534.549999999999955	C27H34O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc(cc2OC)[C@H]2OC[C@H]3[C@@H]2CO[C@H]3c2ccc(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O	38	12	0.560000000000000053	8	11	4	131.490000000000009	145.530000000000001	3.2799999999999998	0.0299999999999999989	0.320000000000000007	-0.839999999999999969	1.07000000000000006	0.770000000000000018	-2.87999999999999989	0.706999999999999962	0.00131999999999999999	Soluble	-2.64000000000000012	1.22999999999999998	0.00229999999999999996	Soluble	-3.12000000000000011	0.406000000000000028	0.000760000000000000042	Soluble	Low	No	Yes	No	No	No	No	No	-9.53999999999999915	2	3	1	1	1	0.170000000000000012
2682	474.54000000000002	C26H34O8	\N	\N	1	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)[C@H]1[C@H](O)C[C@@]([C@H]3[C@@]1([C@@H](C2)OC(=O)C3)C)(C)C(=O)[C@H]1COC(=O)C1	34	0	0.770000000000000018	3	8	1	120.489999999999995	116.200000000000003	2.10000000000000009	1.79000000000000004	2.2200000000000002	1.48999999999999999	2.89999999999999991	2.10000000000000009	-3.70999999999999996	0.0921000000000000013	0.000193999999999999999	Soluble	-3.85000000000000009	0.0671999999999999958	0.000142000000000000009	Soluble	-3.58000000000000007	0.126000000000000001	0.00026499999999999999	Soluble	High	No	Yes	No	No	No	No	No	-7.91999999999999993	0	0	0	0	0	0.550000000000000044
2683	376.439999999999998	C21H28O6	\N	\N	1	COC1=C(C)[C@@H]2CC(=O)O[C@H]3[C@@]2([C@H](C1=O)[C@]1(C)[C@@H](C3)[C@H](C)C[C@@H](C1=O)O)C	27	0	0.760000000000000009	1	6	1	97.5400000000000063	89.9000000000000057	2.14000000000000012	1.6100000000000001	2.04000000000000004	1.30000000000000004	2.54999999999999982	1.92999999999999994	-3.12000000000000011	0.283999999999999975	0.000755000000000000029	Soluble	-3.10999999999999988	0.291999999999999982	0.000777000000000000021	Soluble	-3.33000000000000007	0.17599999999999999	0.000467000000000000021	Soluble	High	No	Yes	No	No	No	No	No	-7.45000000000000018	0	0	0	0	0	0.550000000000000044
2685	406.470000000000027	C22H30O7	\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@]3([C@@]1([C@@H](C2)OC(=O)C3)C)O)C	29	0	0.819999999999999951	1	7	1	102.239999999999995	91.2900000000000063	2.50999999999999979	1.87999999999999989	1.82000000000000006	1.20999999999999996	1.8899999999999999	1.8600000000000001	-3.47999999999999998	0.135000000000000009	0.000331999999999999993	Soluble	-3.41999999999999993	0.154999999999999999	0.000380999999999999991	Soluble	-2.70999999999999996	0.794000000000000039	0.00194999999999999991	Soluble	High	No	Yes	No	No	No	No	No	-7.44000000000000039	0	0	0	0	0	0.550000000000000044
2686	422.470000000000027	C22H30O8	\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@@]([C@]3([C@@]1([C@@H](C2)OC(=O)C3)C)O)(C)O	30	0	0.819999999999999951	1	8	2	103.439999999999998	111.519999999999996	0.450000000000000011	0.650000000000000022	0.939999999999999947	0.419999999999999984	1.39999999999999991	0.770000000000000018	-2.79999999999999982	0.665000000000000036	0.00157	Soluble	-2.56999999999999984	1.1399999999999999	0.00271000000000000017	Soluble	-2.33999999999999986	1.93999999999999995	0.00457999999999999987	Soluble	High	No	Yes	No	No	No	No	No	-8.41999999999999993	0	0	0	0	0	0.550000000000000044
2687	392.439999999999998	C21H28O7	\N	\N	1	COC1=C(C)[C@]2([C@]3([C@H](C1=O)[C@]1(C)[C@@H](C[C@H]3OC(=O)C2)[C@H](C)C[C@@H](C1=O)O)C)O	28	0	0.760000000000000009	1	7	2	98.7399999999999949	110.129999999999995	1.96999999999999997	0.530000000000000027	1.14999999999999991	0.5	2.04999999999999982	1.23999999999999999	-2.54000000000000004	1.12999999999999989	0.00288000000000000018	Soluble	-2.41000000000000014	1.51000000000000001	0.00386000000000000015	Soluble	-2.95999999999999996	0.427999999999999992	0.00109000000000000004	Soluble	High	No	Yes	No	No	No	No	No	-8.32000000000000028	0	0	0	0	0	0.550000000000000044
2688	330.370000000000005	C16H26O7	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2CC(=C(C(C2)(C)C)C=O)C)[C@@H]([C@H]([C@@H]1O)O)O	23	0	0.810000000000000053	4	7	4	81.0799999999999983	116.450000000000003	1.80000000000000004	-0.5	-0.489999999999999991	-0.880000000000000004	0.200000000000000011	0.0299999999999999989	-1.31000000000000005	16.1999999999999993	0.0490999999999999978	Very soluble	-1.47999999999999998	11	0.0333000000000000032	Very soluble	-0.179999999999999993	218	0.65900000000000003	Soluble	High	No	Yes	No	No	No	No	No	-8.66999999999999993	0	1	0	0	0	0.550000000000000044
2689	150.219999999999999	C10H14O	\N	\N	1	O=CC1=C(C)C=CCC1(C)C	11	0	0.5	1	1	0	47.0600000000000023	17.0700000000000003	2.12999999999999989	2.14000000000000012	2.49000000000000021	2.10000000000000009	2.62000000000000011	2.29999999999999982	-2.04999999999999982	1.33000000000000007	0.00884000000000000064	Soluble	-2.12999999999999989	1.1100000000000001	0.00740999999999999992	Soluble	-2.12999999999999989	1.12000000000000011	0.00742999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-5.70000000000000018	0	1	0	0	2	0.550000000000000044
2690	204.349999999999994	C15H24	\N	\N	1	CC(=CCC[C@@]1(C)[C@H]2[C@@H]1CCC(=C2)C)C	15	0	0.729999999999999982	3	0	0	68.7800000000000011	0	3.64999999999999991	4.82000000000000028	4.73000000000000043	4.62999999999999989	4.26999999999999957	4.41999999999999993	-3.95000000000000018	0.0231999999999999984	0.000112999999999999996	Soluble	-4.54999999999999982	0.00572000000000000026	2.79999999999999996e-05	Moderately soluble	-3.54999999999999982	0.0572999999999999968	0.000281	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.12000000000000011	1	0	0	0	1	0.550000000000000044
2691	472.699999999999989	C30H48O4	\N	\N	1	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@H](O)C(C)(C)CC1)C(=O)O)C)C	34	0	0.900000000000000022	1	4	3	137.819999999999993	77.7600000000000051	3.54000000000000004	6.13999999999999968	6.20000000000000018	4.96999999999999975	4.95999999999999996	5.16000000000000014	-6.57000000000000028	0.000126	2.66999999999999995e-07	Poorly soluble	-7.55999999999999961	1.32000000000000007e-05	2.78000000000000008e-08	Poorly soluble	-5.29999999999999982	0.00237000000000000014	5.02000000000000022e-06	Moderately soluble	High	No	Yes	No	No	No	No	No	-4.82000000000000028	1	3	0	1	1	0.560000000000000053
2692	578.779999999999973	C33H54O8	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@@H](CO3)C)C)C)[C@@H]([C@H]([C@H]1O)O)O	41	0	1	3	8	4	154.449999999999989	117.840000000000003	4.67999999999999972	4.90000000000000036	3.62000000000000011	2.56000000000000005	2.14999999999999991	3.58000000000000007	-6.32000000000000028	0.000279000000000000005	4.81000000000000032e-07	Poorly soluble	-7.11000000000000032	4.49000000000000004e-05	7.74999999999999991e-08	Poorly soluble	-2.7200000000000002	1.10000000000000009	0.00188999999999999997	Soluble	High	No	Yes	No	No	No	No	No	-6.34999999999999964	1	3	0	0	0	0.550000000000000044
2694	247.379999999999995	C16H25NO	\N	\N	1	C/C=C/C=C/C=C\\CC/C=C/C(=O)NCC(C)C	18	0	0.440000000000000002	9	1	1	80.1299999999999955	29.1000000000000014	3.68000000000000016	4.20999999999999996	3.7799999999999998	3.41000000000000014	4.19000000000000039	3.85000000000000009	-3.43000000000000016	0.091499999999999998	0.000369999999999999995	Soluble	-4.53000000000000025	0.00728000000000000001	2.93999999999999997e-05	Moderately soluble	-2.66999999999999993	0.529000000000000026	0.00213999999999999998	Soluble	High	Yes	No	No	No	Yes	No	No	-4.82000000000000028	0	0	0	0	0	0.550000000000000044
2695	222.370000000000005	C15H26O	\N	\N	1	CC1=C2C[C@@H](CC[C@]2(CCC1)C)C(O)(C)C	16	0	0.869999999999999996	1	1	1	70.4599999999999937	20.2300000000000004	3.16000000000000014	3.39000000000000012	4.05999999999999961	3.66999999999999993	3.75	3.60000000000000009	-3.29000000000000004	0.114000000000000004	0.00051500000000000005	Soluble	-3.49000000000000021	0.0713000000000000023	0.000320999999999999996	Soluble	-3.41000000000000014	0.0856999999999999984	0.00038499999999999998	Soluble	High	Yes	No	No	No	No	No	No	-5.25	0	0	0	0	1	0.550000000000000044
2696	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	0.560000000000000053	-0.419999999999999984	-0.75	-1.05000000000000004	-0.609999999999999987	-0.46000000000000002	-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
2697	456.699999999999989	C30H48O3	\N	\N	1	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C	33	0	0.900000000000000022	1	3	2	136.650000000000006	57.5300000000000011	3.93999999999999995	7.49000000000000021	7.23000000000000043	5.82000000000000028	5.84999999999999964	6.07000000000000028	-7.32000000000000028	2.15999999999999999e-05	4.74000000000000009e-08	Poorly soluble	-8.52999999999999936	1.34000000000000009e-06	2.94000000000000019e-09	Poorly soluble	-6.12000000000000011	0.000344999999999999983	7.54999999999999971e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-3.77000000000000002	1	3	0	1	1	0.560000000000000053
2698	449.560000000000002	C14H27NO9S3	\N	\N	1	CSCCCCCC/C(=N\\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	27	0	0.930000000000000049	12	10	5	103.519999999999996	225.090000000000003	1.02000000000000002	0.390000000000000013	1.05000000000000004	-1.3899999999999999	-0.729999999999999982	0.0700000000000000067	-2.08000000000000007	3.72999999999999998	0.00830000000000000009	Soluble	-4.67999999999999972	0.00932999999999999975	2.08000000000000008e-05	Moderately soluble	-0.0599999999999999978	392	0.872999999999999998	Soluble	Low	No	Yes	No	No	No	No	No	-8.76999999999999957	0	0	2	1	1	0.110000000000000001
2700	375.420000000000016	C11H21NO9S2	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/CC(C)C)[C@@H]([C@H]([C@@H]1O)O)O	23	0	0.910000000000000031	7	10	5	81.5100000000000051	199.789999999999992	1.16999999999999993	-0.550000000000000044	-0.220000000000000001	-2.20000000000000018	-2.18999999999999995	-0.800000000000000044	-1.3600000000000001	16.3999999999999986	0.0437000000000000027	Very soluble	-3.18000000000000016	0.25	0.00066699999999999995	Soluble	1.57000000000000006	14100	37.5	Soluble	Low	No	Yes	No	No	No	No	No	-8.98000000000000043	0	0	1	1	1	0.110000000000000001
2701	389.439999999999998	C12H23NO9S2	\N	\N	1	CC[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)C	24	0	0.92000000000000004	8	10	5	86.3100000000000023	199.789999999999992	1.08000000000000007	-0.0100000000000000002	0.170000000000000012	-1.91999999999999993	-1.81000000000000005	-0.5	-1.71999999999999997	7.41999999999999993	0.0189999999999999995	Very soluble	-3.74000000000000021	0.0714999999999999941	0.000183000000000000003	Soluble	1.17999999999999994	5890	15.0999999999999996	Soluble	Low	No	Yes	No	No	No	No	No	-8.67999999999999972	0	0	1	1	1	0.110000000000000001
2702	493.610000000000014	C16H31NO10S3	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/CCCCCCCC[S@](=O)C)[C@@H]([C@H]([C@@H]1O)O)O	30	0	0.939999999999999947	14	11	5	113.819999999999993	236.069999999999993	1.55000000000000004	-0.0899999999999999967	1.70999999999999996	-1.72999999999999998	-1.20999999999999996	0.0400000000000000008	-1.91999999999999993	5.94000000000000039	0.0120000000000000002	Very soluble	-4.41999999999999993	0.0189999999999999995	3.83999999999999983e-05	Moderately soluble	-0.729999999999999982	92.0999999999999943	0.187	Soluble	Low	No	Yes	No	No	No	No	No	-9.36999999999999922	1	1	2	1	2	0.110000000000000001
2703	507.639999999999986	C17H33NO10S3	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/CCCCCCCCC[S@](=O)C)[C@@H]([C@H]([C@@H]1O)O)O	31	0	0.939999999999999947	15	11	5	118.629999999999995	236.069999999999993	1.90999999999999992	0.46000000000000002	2.10000000000000009	-1.48999999999999999	-0.810000000000000053	0.429999999999999993	-2.29000000000000004	2.62000000000000011	0.00515999999999999966	Soluble	-4.99000000000000021	0.00523999999999999987	1.02999999999999996e-05	Moderately soluble	-1.12000000000000011	38.7999999999999972	0.0763999999999999957	Soluble	Low	No	Yes	No	No	No	No	No	-9.07000000000000028	2	1	2	1	2	0.110000000000000001
2704	439.45999999999998	C15H21NO10S2	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/Cc2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O	28	6	0.530000000000000027	8	11	5	98.0600000000000023	209.02000000000001	1.07000000000000006	-0.25	-0.0200000000000000004	-1.87999999999999989	-1.64999999999999991	-0.550000000000000044	-2.04000000000000004	4.03000000000000025	0.00916999999999999933	Soluble	-3.68000000000000016	0.0916000000000000009	0.000207999999999999987	Soluble	-0.190000000000000002	282	0.643000000000000016	Soluble	Low	No	Yes	No	No	No	No	No	-9.16000000000000014	1	0	1	1	2	0.110000000000000001
2705	439.45999999999998	C15H21NO10S2	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/C[C@@H](c2ccccc2)O)[C@@H]([C@H]([C@@H]1O)O)O	28	6	0.530000000000000027	8	11	6	97.5400000000000063	220.02000000000001	0.160000000000000003	-1.03000000000000003	-0.469999999999999973	-2.14999999999999991	-2.10000000000000009	-1.12000000000000011	-1.55000000000000004	12.5	0.0284000000000000016	Very soluble	-3.10000000000000009	0.346999999999999975	0.000788999999999999988	Soluble	0.46000000000000002	1280	2.89999999999999991	Soluble	Low	No	No	No	No	No	No	No	-9.71000000000000085	2	1	1	1	3	0.110000000000000001
2707	204.349999999999994	C15H24	\N	\N	1	CC(=C)[C@@H]1CCC2=CCC[C@H]([C@@]2(C1)C)C	15	0	0.729999999999999982	1	0	0	68.7800000000000011	0	3.31999999999999984	5.24000000000000021	4.73000000000000043	4.62999999999999989	4.13999999999999968	4.41000000000000014	-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
2708	1225.31999999999994	C57H92O28	\N	\N	1	OCC1(CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@@H](O)[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@]([C@H]1O)(O)CO)O)O)O)C)C	85	0	0.949999999999999956	15	28	17	283.779999999999973	453.279999999999973	3.87999999999999989	-3.7200000000000002	-5.37999999999999989	-6.25999999999999979	-4.92999999999999972	-3.2799999999999998	-4.09999999999999964	0.0966000000000000053	7.88000000000000045e-05	Moderately soluble	-5.20999999999999996	0.00755999999999999988	6.17000000000000022e-06	Moderately soluble	3.52000000000000002	4100000	3350	Soluble	Low	No	Yes	No	No	No	No	No	-16.4200000000000017	3	4	2	1	6	0.170000000000000012
2709	288.300000000000011	C16H16O5	\N	\N	1	CC(=CC[C@H](C1=CC(=O)c2c(C1=O)c(O)ccc2O)O)C	21	6	0.25	3	5	3	77.8199999999999932	94.8299999999999983	2.56000000000000005	2.95999999999999996	2.12000000000000011	0.419999999999999984	2.47999999999999998	2.10999999999999988	-3.50999999999999979	0.0899999999999999967	0.000311999999999999994	Soluble	-4.61000000000000032	0.00700999999999999974	2.43000000000000011e-05	Moderately soluble	-2.62000000000000011	0.687999999999999945	0.0023900000000000002	Soluble	High	No	No	Yes	No	Yes	No	No	-5.95999999999999996	0	0	0	0	0	0.550000000000000044
2710	1589.67000000000007	C75H112O36	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@]3([C@H]([C@]2(C)C(=O)O)CC[C@@]2([C@@H]3CC=C3[C@@]2(CO)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O[C@@H]2OC[C@@]([C@H]2O)(O)CO)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)O)O)OC(=O)/C=C/c2cc(OC)c(c(c2)OC)OC)C)C)[C@@H]([C@H]([C@@H]1O)O)O	111	6	0.82999999999999996	24	36	17	373.269999999999982	542.799999999999955	5.30999999999999961	-1.8899999999999999	-3.2200000000000002	-6.87999999999999989	-3.41000000000000014	-2.02000000000000002	-6.95999999999999996	0.000174000000000000001	1.08999999999999997e-07	Poorly soluble	-8.99000000000000021	1.63000000000000006e-06	1.02999999999999996e-09	Poorly soluble	1.71999999999999997	83400	52.5	Soluble	Low	No	Yes	No	No	No	No	No	-17.3399999999999999	3	4	2	1	6	0.110000000000000001
2712	859.149999999999977	C50H84O7P2	\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(/CCC=C(C)C)\\C)\\C)\\C)\\C	59	0	0.599999999999999978	32	7	3	260.70999999999998	132.909999999999997	8.77999999999999936	15.5600000000000005	16.7199999999999989	7.98000000000000043	15.1400000000000006	12.8399999999999999	-12.8599999999999994	1.19000000000000003e-10	1.38999999999999988e-13	Insoluble	-18.4899999999999984	2.78999999999999998e-16	3.24000000000000019e-19	Insoluble	-9.82000000000000028	1.29000000000000004e-07	1.49999999999999999e-10	Poorly soluble	Low	No	Yes	No	No	No	No	No	-0.489999999999999991	2	4	1	2	3	0.560000000000000053
2713	1225.31999999999994	C57H92O28	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2OC[C@@H]([C@@H]([C@@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@@H]([C@H]2O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@]2(O)OC[C@]([C@H]2O)(O)CO)O)O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	85	0	0.949999999999999956	14	28	17	283.819999999999993	453.279999999999973	-0.760000000000000009	-3.25999999999999979	-5.03000000000000025	-5.86000000000000032	-4.82000000000000028	-3.95000000000000018	-4.45999999999999996	0.042599999999999999	3.47000000000000032e-05	Moderately soluble	-5.69000000000000039	0.0025200000000000001	2.06000000000000018e-06	Moderately soluble	3.31999999999999984	2580000	2100	Soluble	Low	No	Yes	No	No	No	No	No	-16.0899999999999999	3	4	2	1	6	0.170000000000000012
2714	1267.3599999999999	C59H94O29	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@]3([C@H](C2(CO)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2OC[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2OC(=O)C)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@@H]2OC[C@]([C@H]2O)(O)CO)O)O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	88	0	0.930000000000000049	17	29	16	293.509999999999991	459.350000000000023	4.20999999999999996	-3.14000000000000012	-4.80999999999999961	-5.94000000000000039	-4.37000000000000011	-2.81000000000000005	-4.59999999999999964	0.0320000000000000007	2.52999999999999983e-05	Moderately soluble	-5.94000000000000039	0.00145999999999999993	1.15e-06	Moderately soluble	2.95999999999999996	1150000	906	Soluble	Low	No	Yes	No	No	No	No	No	-16.2600000000000016	3	4	2	1	7	0.170000000000000012
2715	490.720000000000027	C30H50O5	\N	\N	1	O[C@H]([C@H](C(O)(C)C)O)C[C@H](C1=C2C[C@H](O)[C@@H]3[C@]([C@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)C	35	0	0.900000000000000022	5	5	4	141.240000000000009	97.9899999999999949	3.97999999999999998	3.83999999999999986	4.79000000000000004	3.33000000000000007	5.36000000000000032	4.25999999999999979	-4.96999999999999975	0.00523999999999999987	1.06999999999999992e-05	Moderately soluble	-5.58999999999999986	0.00125000000000000003	2.55000000000000015e-06	Moderately soluble	-4.95000000000000018	0.00555999999999999984	1.13000000000000002e-05	Moderately soluble	High	No	Yes	No	No	No	No	Yes	-6.57000000000000028	0	3	0	0	0	0.550000000000000044
2716	472.699999999999989	C30H48O4	\N	\N	1	O[C@H]1CC2=C(CC[C@@]2([C@@]2([C@@H]1[C@@]1(C)CCC(=O)C([C@@H]1CC2)(C)C)C)C)[C@@H](C[C@@H]([C@H]1OC1(C)C)O)C	34	0	0.900000000000000022	4	4	2	137.889999999999986	70.0600000000000023	4.23000000000000043	4.83000000000000007	5.83999999999999986	4.16000000000000014	6.53000000000000025	5.12000000000000011	-5.54999999999999982	0.00133000000000000002	2.82000000000000011e-06	Moderately soluble	-6.03000000000000025	0.000436999999999999997	9.23999999999999962e-07	Poorly soluble	-6.07000000000000028	0.000404000000000000008	8.54999999999999967e-07	Poorly soluble	High	No	No	No	No	No	No	No	-5.75	1	3	0	0	0	0.550000000000000044
2717	486.680000000000007	C30H46O5	\N	\N	1	O[C@H]1CC2=C([C@@H](C[C@@H]([C@H]3OC3(C)C)O)C)C(=O)C[C@@]2([C@@]2([C@@H]1[C@@]1(C)CCC(=O)C([C@@H]1CC2)(C)C)C)C	35	0	0.869999999999999996	4	5	2	138.090000000000003	87.1299999999999955	3.85000000000000009	3.91000000000000014	5.01999999999999957	3.22999999999999998	6.23000000000000043	4.45000000000000018	-5.05999999999999961	0.00427000000000000036	8.78000000000000064e-06	Moderately soluble	-5.44000000000000039	0.00177000000000000009	3.63999999999999988e-06	Moderately soluble	-5.94000000000000039	0.000555999999999999962	1.1400000000000001e-06	Moderately soluble	High	No	Yes	No	No	No	No	No	-6.49000000000000021	0	3	0	0	0	0.550000000000000044
2718	1063.23000000000002	C52H86O22	\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)(OC)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	74	0	0.959999999999999964	15	22	12	256.889999999999986	335.060000000000002	4.49000000000000021	-0.719999999999999973	-1.33000000000000007	-3.5299999999999998	-2.45999999999999996	-0.709999999999999964	-4.99000000000000021	0.0109	1.02999999999999996e-05	Moderately soluble	-5.83999999999999986	0.00153999999999999992	1.43999999999999998e-06	Moderately soluble	1.58000000000000007	40300	37.8999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-13.3000000000000007	3	4	2	1	5	0.170000000000000012
2719	1031.18000000000006	C51H82O21	\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]3C(=C(O4)CC[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)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	72	0	0.92000000000000004	14	21	12	250.47999999999999	325.829999999999984	4.91999999999999993	-1.03000000000000003	-1.03000000000000003	-3.49000000000000021	-2.16999999999999993	-0.560000000000000053	-4.66000000000000014	0.0224999999999999992	2.19000000000000004e-05	Moderately soluble	-5.32000000000000028	0.00487999999999999979	4.72999999999999961e-06	Moderately soluble	1.43999999999999995	28100	27.1999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-13.3200000000000003	3	4	2	1	5	0.170000000000000012
2721	1267.3599999999999	C59H94O29	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@]3([C@H](C2(CO)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2OC[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)OC(=O)C)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@@H]2OC[C@]([C@H]2O)(O)CO)O)O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	88	0	0.930000000000000049	17	29	16	293.509999999999991	459.350000000000023	4.24000000000000021	-3.14000000000000012	-4.80999999999999961	-5.94000000000000039	-4.37000000000000011	-2.79999999999999982	-4.59999999999999964	0.0320000000000000007	2.52999999999999983e-05	Moderately soluble	-5.94000000000000039	0.00145999999999999993	1.15e-06	Moderately soluble	2.95999999999999996	1150000	906	Soluble	Low	No	Yes	No	No	No	No	No	-16.2600000000000016	3	4	2	1	7	0.170000000000000012
2722	322.439999999999998	C19H30O4	\N	\N	1	CCCCCCC[C@@H](CC(=O)CCc1ccc(c(c1)OC)O)O	23	6	0.630000000000000004	12	4	2	94.1599999999999966	66.7600000000000051	3.68999999999999995	4.19000000000000039	4.00999999999999979	2.60999999999999988	4.87000000000000011	3.87000000000000011	-3.87999999999999989	0.0425000000000000031	0.00013200000000000001	Soluble	-5.29999999999999982	0.0016100000000000001	5.00000000000000041e-06	Moderately soluble	-5.37999999999999989	0.00134000000000000005	4.16999999999999989e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-5.29000000000000004	0	0	1	0	0	0.550000000000000044
2723	194.22999999999999	C11H14O3	\N	\N	1	COc1cc(CCC(=O)C)ccc1O	14	6	0.359999999999999987	4	3	1	54.5399999999999991	46.5300000000000011	2.08999999999999986	1.1100000000000001	1.91999999999999993	1.41999999999999993	2.41000000000000014	1.79000000000000004	-1.80000000000000004	3.10000000000000009	0.0160000000000000003	Very soluble	-1.67999999999999994	4.05999999999999961	0.0208999999999999984	Very soluble	-3.10000000000000009	0.154999999999999999	0.00079600000000000005	Soluble	High	Yes	No	Yes	No	No	No	No	-6.70000000000000018	0	0	0	0	1	0.550000000000000044
2784	204.349999999999994	C15H24	\N	\N	1	CC1=C[C@H]2C(=CC1)[C@@H](C)CC[C@@H]2C(C)C	15	0	0.729999999999999982	1	0	0	69.0400000000000063	0	3.39000000000000012	4.45999999999999996	4.58000000000000007	4.62999999999999989	3.72999999999999998	4.16000000000000014	-3.85000000000000009	0.0287999999999999992	0.000141000000000000012	Soluble	-4.17999999999999972	0.0134999999999999998	6.61999999999999964e-05	Moderately soluble	-3.06999999999999984	0.173999999999999988	0.000850999999999999977	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.37999999999999989	1	0	0	0	1	0.550000000000000044
2724	318.449999999999989	C20H30O3	\N	\N	1	O=C1OCC/C/1=C\\C[C@H]1[C@]2(CC[C@@H]3[C@]1(C)CCCC3(C)C)OC2	23	0	0.849999999999999978	2	3	0	91.2099999999999937	38.8299999999999983	3.41000000000000014	4.62999999999999989	4.25999999999999979	3.75	5.07000000000000028	4.21999999999999975	-4.59999999999999964	0.00800999999999999976	2.51999999999999993e-05	Moderately soluble	-5.16999999999999993	0.00215	6.73999999999999984e-06	Moderately soluble	-4.49000000000000021	0.0103999999999999995	3.24999999999999972e-05	Moderately soluble	High	Yes	No	No	No	Yes	No	No	-4.95999999999999996	0	0	0	0	0	0.550000000000000044
2726	358.389999999999986	C20H22O6	\N	\N	1	O=C1O[C@H](C[C@]2([C@H]1CC[C@]1([C@@H]2[C@@H]2C=C[C@@]1(O)C(=O)O2)C)C)c1cocc1	26	5	0.599999999999999978	1	6	1	90.0999999999999943	85.9699999999999989	2.18000000000000016	2.16000000000000014	2.20999999999999996	1.76000000000000001	2.29000000000000004	2.12000000000000011	-3.5	0.114000000000000004	0.000317000000000000007	Soluble	-3.60000000000000009	0.0903999999999999942	0.000252	Soluble	-3.47999999999999998	0.118999999999999995	0.000333000000000000017	Soluble	High	No	Yes	No	No	No	No	No	-6.95000000000000018	0	0	0	0	0	0.550000000000000044
2727	814.82000000000005	C38H54O19	\N	\N	1	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)O[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)\\C)\\C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	57	0	0.57999999999999996	17	19	11	194.810000000000002	312.050000000000011	3.5299999999999998	-0.340000000000000024	-3.04999999999999982	-3.56000000000000005	-1.39999999999999991	-0.959999999999999964	-3.56000000000000005	0.227000000000000007	0.000277999999999999981	Soluble	-5.75	0.00144000000000000009	1.76999999999999999e-06	Moderately soluble	4.62999999999999989	34500000	42400	Soluble	Low	No	Yes	No	No	No	No	No	-11.5099999999999998	3	4	2	1	5	0.170000000000000012
2728	520.529999999999973	C26H32O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc(cc2OC)[C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O	37	12	0.540000000000000036	7	11	5	127.019999999999996	156.530000000000001	2.95999999999999996	0.479999999999999982	0.0100000000000000002	-1.05000000000000004	0.520000000000000018	0.589999999999999969	-3.14999999999999991	0.369999999999999996	0.000711999999999999959	Soluble	-3.33999999999999986	0.239999999999999991	0.000460999999999999984	Soluble	-2.43000000000000016	1.91999999999999993	0.00369000000000000014	Soluble	Low	No	Yes	No	No	No	No	No	-9.13000000000000078	2	1	1	1	2	0.170000000000000012
2729	488.699999999999989	C30H48O5	\N	\N	1	C[C@@H]1C[C@@H]2O[C@]3([C@H]1[C@@]1(C)CC[C@@]45[C@H]([C@@]1([C@H]3O)C)CC[C@@H]1[C@]5(C4)CC[C@@H](C1(C)C)O)O[C@@H]2C(O)(C)C	35	0	1	1	5	3	135.960000000000008	79.1500000000000057	4.33999999999999986	5.23000000000000043	4.66000000000000014	3.99000000000000021	4.04000000000000004	4.45000000000000018	-6.09999999999999964	0.000389000000000000023	7.95999999999999981e-07	Poorly soluble	-6.63999999999999968	0.000111999999999999998	2.28999999999999999e-07	Poorly soluble	-4.41000000000000014	0.0191999999999999983	3.92999999999999998e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-5.57000000000000028	0	3	0	0	1	0.550000000000000044
2730	917.129999999999995	C47H80O17	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)CO[C@@H]2OC[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](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@](CCC=C(C)C)(O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O	64	0	0.959999999999999964	12	17	11	231.060000000000002	277.910000000000025	5.41999999999999993	1.92999999999999994	0.609999999999999987	-1.54000000000000004	0.130000000000000004	1.31000000000000005	-5.95000000000000018	0.0010300000000000001	1.12000000000000008e-06	Moderately soluble	-7.38999999999999968	3.74000000000000011e-05	4.07000000000000005e-08	Poorly soluble	-0.280000000000000027	479	0.52200000000000002	Soluble	Low	No	Yes	No	No	No	No	No	-10.5199999999999996	3	3	2	1	4	0.170000000000000012
2731	927.080000000000041	C47H74O18	\N	\N	1	OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C)C)C(=O)O	65	0	0.910000000000000031	10	18	10	228.039999999999992	291.819999999999993	3.33000000000000007	2.81000000000000005	0.869999999999999996	-0.849999999999999978	-0.170000000000000012	1.19999999999999996	-6.70000000000000018	0.000185999999999999995	1.99999999999999991e-07	Poorly soluble	-8.59999999999999964	2.34999999999999995e-06	2.53999999999999991e-09	Poorly soluble	-0.699999999999999956	185	0.200000000000000011	Soluble	Low	No	Yes	No	No	No	No	No	-9.96000000000000085	3	3	1	1	5	0.110000000000000001
2732	957.110000000000014	C48H76O19	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	67	0	0.92000000000000004	10	19	11	234	312.050000000000011	2.41999999999999993	2.74000000000000021	0.23000000000000001	-1.40999999999999992	-0.810000000000000053	0.630000000000000004	-6.83999999999999986	0.000137999999999999993	1.43999999999999992e-07	Poorly soluble	-8.94999999999999929	1.08000000000000004e-06	1.13000000000000003e-09	Poorly soluble	-0.119999999999999996	724	0.757000000000000006	Soluble	Low	No	Yes	No	No	No	No	No	-10.1899999999999995	3	3	1	1	5	0.110000000000000001
2733	754.990000000000009	C41H70O12	\N	\N	1	CC(=CCC[C@]([C@H]1CC[C@@]2([C@@H]1[C@@H](O)C[C@@H]1[C@]2(C)CC[C@@H]2[C@@]1(C)CC[C@@H](C2(C)C)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)C)(O)C)C	53	0	0.949999999999999956	9	12	8	198.680000000000007	198.759999999999991	4.36000000000000032	3.5299999999999998	2.79000000000000004	0.760000000000000009	2.18000000000000016	2.7200000000000002	-6.15000000000000036	0.000533000000000000054	7.06999999999999965e-07	Poorly soluble	-7.38999999999999968	3.08999999999999989e-05	4.09000000000000023e-08	Poorly soluble	-2.14999999999999991	5.29999999999999982	0.00700999999999999974	Soluble	Low	No	Yes	No	No	No	No	No	-8.40000000000000036	3	3	1	1	4	0.170000000000000012
2734	927.080000000000041	C47H74O18	\N	\N	1	OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C)C(=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	65	0	0.910000000000000031	10	18	10	228.039999999999992	291.819999999999993	3.93999999999999995	2.81000000000000005	0.869999999999999996	-0.849999999999999978	-0.170000000000000012	1.32000000000000006	-6.70000000000000018	0.000185999999999999995	1.99999999999999991e-07	Poorly soluble	-8.59999999999999964	2.34999999999999995e-06	2.53999999999999991e-09	Poorly soluble	-0.699999999999999956	185	0.200000000000000011	Soluble	Low	No	Yes	No	No	No	No	No	-9.96000000000000085	3	3	1	1	5	0.110000000000000001
2736	343.420000000000016	C20H25NO4	\N	\N	1	COc1ccc(cc1O)C[C@H]1N(C)CCc2c1cc(OC)c(c2)OC	25	12	0.400000000000000022	5	5	1	101.480000000000004	51.1599999999999966	3.47999999999999998	3.33999999999999986	2.47999999999999998	1.97999999999999998	3.45999999999999996	2.95000000000000018	-4.09999999999999964	0.0274000000000000007	7.96999999999999993e-05	Moderately soluble	-4.08999999999999986	0.0277999999999999983	8.10000000000000037e-05	Moderately soluble	-5.41999999999999993	0.00131999999999999999	3.85000000000000041e-06	Moderately soluble	High	Yes	No	No	No	No	Yes	Yes	-6.01999999999999957	0	0	0	0	0	0.550000000000000044
2738	166.219999999999999	C10H14O2	\N	\N	1	O=C/C=C(/CC/C=C(/C=O)\\C)\\C	12	0	0.400000000000000022	5	2	0	49.6400000000000006	34.1400000000000006	1.89999999999999991	1.65999999999999992	2.06000000000000005	1.46999999999999997	2.41999999999999993	1.89999999999999991	-1.59000000000000008	4.30999999999999961	0.0258999999999999994	Very soluble	-1.98999999999999999	1.69999999999999996	0.0102000000000000007	Very soluble	-1.53000000000000003	4.87000000000000011	0.0292999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-6.13999999999999968	0	0	0	0	1	0.550000000000000044
2739	152.22999999999999	C10H16O	\N	\N	1	C[C@H]1CCC(=C(C)C)C(=O)C1	11	0	0.699999999999999956	0	1	0	47.7999999999999972	17.0700000000000003	2.33000000000000007	3.08000000000000007	2.70999999999999996	2.20000000000000018	2.75999999999999979	2.62000000000000011	-2.7200000000000002	0.286999999999999977	0.00188999999999999997	Soluble	-3.10999999999999988	0.118999999999999995	0.000783999999999999975	Soluble	-2.37999999999999989	0.635000000000000009	0.0041700000000000001	Soluble	High	Yes	No	No	No	No	No	No	-5.04000000000000004	0	1	0	0	2	0.550000000000000044
2740	358.339999999999975	C19H18O7	\N	\N	1	COc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cc(c(c1OC)O)C	26	12	0.260000000000000009	4	7	1	92.7099999999999937	91.2900000000000063	2.95000000000000018	2.75999999999999979	2.50999999999999979	0.25	3.74000000000000021	2.43999999999999995	-3.87999999999999989	0.0475000000000000006	0.00013200000000000001	Soluble	-4.33000000000000007	0.0166999999999999996	4.64999999999999986e-05	Moderately soluble	-5.51999999999999957	0.00108000000000000001	3.00999999999999998e-06	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-6.53000000000000025	0	0	0	0	0	0.550000000000000044
2741	330.29000000000002	C17H14O7	\N	\N	1	COc1c2c(cc(c1O)C)C(=O)c1c(C2=O)c(O)c(c(c1)O)OC	24	12	0.179999999999999993	2	7	3	83.769999999999996	113.290000000000006	2.18999999999999995	2.66000000000000014	1.89999999999999991	-0.220000000000000001	2.64999999999999991	1.84000000000000008	-3.79999999999999982	0.0522000000000000033	0.000157999999999999992	Soluble	-4.69000000000000039	0.00672999999999999987	2.04000000000000012e-05	Moderately soluble	-4.12999999999999989	0.0241999999999999993	7.33000000000000063e-05	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-6.42999999999999972	0	0	0	0	0	0.550000000000000044
2743	345.329999999999984	C17H17N2O6	\N	\N	1	OC(=O)[C@@H]1C/C(=C\\C=[N+]\\2/CCc3c2cc(O)c(c3)O)/C=C(N1)C(=O)O	25	6	0.239999999999999991	3	6	5	97.3900000000000006	130.099999999999994	-2.25	0.5	-0.0500000000000000028	-2.14000000000000012	-0.170000000000000012	-0.819999999999999951	-2.2799999999999998	1.83000000000000007	0.00530000000000000002	Soluble	-2.79999999999999982	0.54500000000000004	0.00158000000000000002	Soluble	-1.60000000000000009	8.73000000000000043	0.0252999999999999996	Soluble	High	No	No	No	No	No	No	No	-8.05000000000000071	0	0	0	0	0	0.560000000000000053
2744	1573.67000000000007	C75H112O35	\N	\N	1	COc1ccc(cc1)/C=C/C(=O)O[C@H]1[C@@H](C)O[C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)OC(=O)[C@@]12CCC(C[C@H]2C2=CC[C@H]3[C@@]([C@@]2(CC1)CO)(C)CC[C@@H]1[C@]3(C)C[C@@H]([C@@H]([C@@]1(C)C(=O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)(C)C	110	6	0.82999999999999996	22	35	18	371.029999999999973	544.57000000000005	5.49000000000000021	-1.77000000000000002	-3.49000000000000021	-6.74000000000000021	-4.54000000000000004	-2.20999999999999996	-7.07000000000000028	0.000134000000000000005	8.5100000000000001e-08	Poorly soluble	-9.15000000000000036	1.10999999999999996e-06	7.0700000000000004e-10	Poorly soluble	2.75999999999999979	906000	575	Soluble	Low	No	Yes	No	No	No	No	No	-17.1600000000000001	3	4	2	1	6	0.110000000000000001
2745	1719.80999999999995	C81H122O39	\N	\N	1	COc1ccc(cc1)/C=C/C(=O)O[C@H]1[C@@H](C)O[C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)OC(=O)[C@@]12CCC(C[C@H]2C2=CC[C@H]3[C@@]([C@@]2(CC1)CO)(C)CC[C@@H]1[C@]3(C)C[C@@H]([C@@H]([C@@]1(C)C(=O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)(C)C	120	6	0.839999999999999969	24	39	20	402.25	603.490000000000009	6.32000000000000028	-2.87000000000000011	-4.63999999999999968	-8.23000000000000043	-6.01999999999999957	-3.08999999999999986	-7.15000000000000036	0.000121999999999999997	7.12000000000000023e-08	Poorly soluble	-9.25	9.74999999999999982e-07	5.67000000000000007e-10	Poorly soluble	4.12000000000000011	22900000	13300	Soluble	Low	No	Yes	No	No	No	No	No	-18.8299999999999983	3	4	2	1	7	0.110000000000000001
2746	418.389999999999986	C21H22O9	\N	\N	1	OCc1cc(O)c2c(c1)[C@H]([C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1c(C2=O)c(O)ccc1	30	12	0.380000000000000004	3	9	7	101.959999999999994	167.909999999999997	2.20000000000000018	-0.119999999999999996	-1.04000000000000004	-1.59000000000000008	0.179999999999999993	-0.0700000000000000067	-2.45999999999999996	1.45999999999999996	0.00350000000000000007	Soluble	-2.95000000000000018	0.466000000000000025	0.00111000000000000009	Soluble	-1.79000000000000004	6.76999999999999957	0.0161999999999999991	Soluble	Low	No	No	No	No	No	No	No	-8.9399999999999995	1	1	1	1	2	0.550000000000000044
2747	869.039999999999964	C45H72O16	\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]2OC(=O)C)O)OC(=O)C)C4)[C@@]2(C)CC[C@H](O2)C(O)(C)C)O)[C@@H]([C@H]([C@@H]1O)O)O	61	0	0.959999999999999964	11	16	7	216.419999999999987	240.360000000000014	4.07000000000000028	2.41000000000000014	1.87000000000000011	-0.0299999999999999989	1.6100000000000001	1.98999999999999999	-6.01999999999999957	0.000828999999999999984	9.54000000000000099e-07	Poorly soluble	-7.09999999999999964	6.90999999999999991e-05	7.95000000000000038e-08	Poorly soluble	-2.2799999999999998	4.58999999999999986	0.00527999999999999997	Soluble	Low	No	Yes	No	No	No	No	No	-9.89000000000000057	3	3	2	1	5	0.170000000000000012
2748	827.009999999999991	C43H70O15	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@]4([C@@]5([C@@H]2C(C)(C)[C@H](CC5)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)OC(=O)C)O)C4)CC[C@]2([C@@]3(C)C[C@@H]([C@@H]2[C@@]2(C)CC[C@H](O2)C(O)(C)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	58	0	0.979999999999999982	9	15	8	206.680000000000007	234.289999999999992	4.73000000000000043	1.83000000000000007	1.29000000000000004	-0.330000000000000016	1.07000000000000006	1.71999999999999997	-5.53000000000000025	0.00245999999999999995	2.97999999999999984e-06	Moderately soluble	-6.37000000000000011	0.000353000000000000015	4.25999999999999976e-07	Poorly soluble	-1.69999999999999996	16.6999999999999993	0.0200999999999999998	Soluble	Low	No	Yes	No	No	No	No	No	-10.0500000000000007	3	3	1	1	5	0.170000000000000012
2749	869.039999999999964	C45H72O16	\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]2OC(=O)C)OC(=O)C)O)C4)[C@@]2(C)CC[C@@H](O2)C(O)(C)C)O)[C@@H]([C@H]([C@@H]1O)O)O	61	0	0.959999999999999964	11	16	7	216.419999999999987	240.360000000000014	4.58999999999999986	2.41000000000000014	1.87000000000000011	-0.0299999999999999989	1.6100000000000001	2.08999999999999986	-6.01999999999999957	0.000828999999999999984	9.54000000000000099e-07	Poorly soluble	-7.09999999999999964	6.90999999999999991e-05	7.95000000000000038e-08	Poorly soluble	-2.2799999999999998	4.58999999999999986	0.00527999999999999997	Soluble	Low	No	Yes	No	No	No	No	No	-9.89000000000000057	3	3	2	1	5	0.170000000000000012
2750	827.009999999999991	C43H70O15	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@]4([C@@]5([C@@H]2C(C)(C)[C@H](CC5)O[C@@H]2OC[C@H]([C@@H]([C@H]2OC(=O)C)O)O)C4)CC[C@]2([C@@]3(C)C[C@@H]([C@@H]2[C@@]2(C)CC[C@H](O2)C(O)(C)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	58	0	0.979999999999999982	9	15	8	206.680000000000007	234.289999999999992	4.33000000000000007	1.83000000000000007	1.29000000000000004	-0.330000000000000016	1.07000000000000006	1.6399999999999999	-5.53000000000000025	0.00245999999999999995	2.97999999999999984e-06	Moderately soluble	-6.37000000000000011	0.000353000000000000015	4.25999999999999976e-07	Poorly soluble	-1.69999999999999996	16.6999999999999993	0.0200999999999999998	Soluble	Low	No	Yes	No	No	No	No	No	-10.0500000000000007	3	3	1	1	5	0.170000000000000012
2751	784.970000000000027	C41H68O14	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@]4([C@@]5([C@@H]2C(C)(C)[C@H](CC5)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)C4)CC[C@]2([C@@]3(C)C[C@@H]([C@@H]2[C@@]2(C)CC[C@H](O2)C(O)(C)C)O)C)[C@@H]([C@H]([C@H]1O)O)O	55	0	1	7	14	9	196.949999999999989	228.219999999999999	3.39000000000000012	1.26000000000000001	0.719999999999999973	-0.589999999999999969	0.520000000000000018	1.06000000000000005	-5.04000000000000004	0.00717999999999999975	9.15000000000000049e-06	Moderately soluble	-5.65000000000000036	0.00175000000000000004	2.22999999999999982e-06	Moderately soluble	-1.1100000000000001	60.5	0.0771000000000000019	Soluble	Low	No	Yes	No	No	No	No	No	-10.1899999999999995	3	3	1	1	5	0.170000000000000012
2752	947.110000000000014	C47H78O19	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]([C@@H]2O)O)O[C@H]2CC[C@]34[C@H](C2(C)C)[C@@H](O)C[C@@H]2[C@@]4(C3)CC[C@]3([C@@]2(C)C[C@@H]([C@@H]3[C@@]2(C)CC[C@H](O2)C(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(C)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	66	0	1	10	19	12	229.330000000000013	307.370000000000005	3.62000000000000011	-0.330000000000000016	-1.44999999999999996	-2.83999999999999986	-1.56000000000000005	-0.510000000000000009	-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
2754	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)O)O)C4)[C@@]2(C)CC[C@H](O2)C(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(C)C)O)[C@@H]([C@H]([C@@H]1O)O)O	66	0	1	10	19	12	229.330000000000013	307.370000000000005	3.68000000000000016	-0.330000000000000016	-1.44999999999999996	-2.83999999999999986	-1.56000000000000005	-0.5	-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
2755	358.389999999999986	C20H22O6	\N	\N	1	COc1ccc(cc1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc(c(c1)O)OC	26	12	0.400000000000000022	4	6	2	94.9000000000000057	77.3799999999999955	3.25999999999999979	2.2799999999999998	2.54000000000000004	1.16999999999999993	2.66000000000000014	2.37999999999999989	-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
2756	300.259999999999991	C16H12O6	\N	\N	1	OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(OC)cc(c1)O	22	12	0.119999999999999996	2	6	3	76.4099999999999966	104.060000000000002	1.82000000000000006	1.79000000000000004	1.21999999999999997	-0.200000000000000011	2.45999999999999996	1.41999999999999993	-3.10000000000000009	0.237999999999999989	0.000792999999999999977	Soluble	-3.58999999999999986	0.0764999999999999986	0.000255000000000000018	Soluble	-4.04000000000000004	0.0274000000000000007	9.11999999999999942e-05	Moderately soluble	High	No	No	No	No	No	No	Yes	-6.86000000000000032	0	0	0	0	0	0.550000000000000044
2757	514.559999999999945	C28H34O9	\N	\N	1	C/C=C(\\C(=O)O[C@H]1c2cc(OC)c(c(c2c2c(C[C@@H]([C@]1(C)O)C)cc1c(c2OC)OCO1)OC)OC)/C	37	12	0.46000000000000002	7	9	1	137	101.909999999999997	4.45999999999999996	4.55999999999999961	4.29000000000000004	2.08000000000000007	4.91000000000000014	4.05999999999999961	-5.67999999999999972	0.00106999999999999999	2.07999999999999999e-06	Moderately soluble	-6.41999999999999993	0.000193999999999999999	3.77000000000000001e-07	Poorly soluble	-6.37000000000000011	0.000218000000000000013	4.23999999999999985e-07	Poorly soluble	High	No	No	No	No	No	Yes	No	-6.20000000000000018	1	3	0	0	0	0.550000000000000044
2758	289.410000000000025	C18H27NO2	\N	\N	1	C/C=C/C=C/C=C\\CC/C=C/C=C/C(=O)NCC(O)(C)C	21	0	0.390000000000000013	10	2	2	90.4699999999999989	49.3299999999999983	3.54999999999999982	3.45999999999999996	3.45000000000000018	2.91999999999999993	4.16999999999999993	3.50999999999999979	-3.14999999999999991	0.203000000000000014	0.000701000000000000017	Soluble	-4.17999999999999972	0.0191999999999999983	6.64000000000000012e-05	Moderately soluble	-2.16999999999999993	1.93999999999999995	0.00670000000000000023	Soluble	High	Yes	No	No	Yes	Yes	Yes	No	-5.61000000000000032	0	0	0	0	0	0.550000000000000044
2759	356.370000000000005	C20H20O6	\N	\N	1	COc1cc(/C=C/COC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O	26	12	0.149999999999999994	8	6	2	98.8799999999999955	85.2199999999999989	3.75999999999999979	3.56999999999999984	3.16999999999999993	2.14000000000000012	3.62999999999999989	3.25	-4.11000000000000032	0.0275000000000000001	7.72000000000000062e-05	Moderately soluble	-5.04999999999999982	0.00321000000000000018	9.01000000000000013e-06	Moderately soluble	-4.25	0.0200000000000000004	5.61999999999999972e-05	Moderately soluble	High	No	No	No	No	Yes	No	Yes	-5.94000000000000039	0	0	0	0	0	0.550000000000000044
2760	488.699999999999989	C30H48O5	\N	\N	1	O[C@@H]1C[C@@]2(C)[C@H](C([C@@H]1O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@](C)(O)[C@H](C)CC1)C(=O)O)C	35	0	0.900000000000000022	1	5	4	139.280000000000001	97.9899999999999949	3.10000000000000009	4.95999999999999996	5.17999999999999972	4.13999999999999968	4.07000000000000028	4.29000000000000004	-5.92999999999999972	0.000576000000000000015	1.17999999999999993e-06	Moderately soluble	-6.75999999999999979	8.5699999999999996e-05	1.74999999999999992e-07	Poorly soluble	-4.48000000000000043	0.0162999999999999985	3.3300000000000003e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-5.75999999999999979	0	3	0	0	0	0.560000000000000053
2762	218.330000000000013	C15H22O	\N	\N	1	O=C1C[C@@H]([C@@]23C1=C(C)C(C)(C)[C@H](C3)CC2)C	16	0	0.800000000000000044	0	1	0	67.0799999999999983	17.0700000000000003	2.7200000000000002	3.62000000000000011	3.74000000000000021	3.56000000000000005	3.9700000000000002	3.52000000000000002	-3.4700000000000002	0.073300000000000004	0.000335999999999999981	Soluble	-3.66999999999999993	0.047100000000000003	0.000215999999999999992	Soluble	-3.85999999999999988	0.0302000000000000011	0.000137999999999999993	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.05999999999999961	0	0	0	0	1	0.550000000000000044
2763	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	2.81999999999999984	3.25	3.5299999999999998	3.66999999999999993	3.37999999999999989	3.33000000000000007	-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
2764	330.370000000000005	C19H22O5	\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)CCC1	24	0	0.57999999999999996	2	5	0	86.9599999999999937	61.8299999999999983	3.20999999999999996	2.74000000000000021	3.16999999999999993	2.79000000000000004	3.22999999999999998	3.0299999999999998	-3.47999999999999998	0.109	0.000328999999999999974	Soluble	-3.68999999999999995	0.067000000000000004	0.000203000000000000001	Soluble	-3.2200000000000002	0.19900000000000001	0.00060300000000000002	Soluble	High	Yes	No	No	No	Yes	No	No	-6.37000000000000011	0	0	0	0	0	0.560000000000000053
2765	342.389999999999986	C20H22O5	\N	\N	1	O=C1C[C@]2(O)C[C@H]3[C@H]([C@@H]1C1=COc4c([C@H]1C3(C)C)ccc(c4)O)[C@H]2O	25	6	0.550000000000000044	0	5	3	90.980000000000004	86.9899999999999949	1.79000000000000004	0.959999999999999964	2.10999999999999988	1.53000000000000003	1.92999999999999994	1.65999999999999992	-2.75	0.615999999999999992	0.00179999999999999995	Soluble	-2.37000000000000011	1.44999999999999996	0.00421999999999999979	Soluble	-2.93999999999999995	0.395000000000000018	0.00114999999999999998	Soluble	High	No	Yes	No	No	No	Yes	No	-7.70999999999999996	0	0	0	0	0	0.550000000000000044
2766	362.420000000000016	C20H26O6	\N	\N	1	OC[C@@H]([C@@H](Cc1ccc(c(c1)OC)O)CO)Cc1ccc(c(c1)OC)O	26	12	0.400000000000000022	9	6	4	99.2800000000000011	99.3799999999999955	2.77000000000000002	2.52000000000000002	2.12000000000000011	1.56000000000000005	3.33999999999999986	2.45999999999999996	-3.41999999999999993	0.137000000000000011	0.000378000000000000027	Soluble	-4.25	0.0201999999999999992	5.58000000000000011e-05	Moderately soluble	-4.54000000000000004	0.0105000000000000007	2.90000000000000002e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-6.71999999999999975	0	0	0	0	0	0.550000000000000044
2768	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
2769	398.449999999999989	C20H30O8	\N	\N	1	OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	28	0	0.849999999999999978	3	8	5	97.3199999999999932	136.680000000000007	2.20000000000000018	-1.31000000000000005	-0.800000000000000044	-0.729999999999999982	0.0100000000000000002	-0.130000000000000004	-1.29000000000000004	20.6000000000000014	0.0516	Very soluble	-1.06000000000000005	34.5	0.0866999999999999993	Very soluble	-0.409999999999999976	157	0.394000000000000017	Soluble	Low	No	Yes	No	No	No	No	No	-9.66000000000000014	0	1	0	1	0	0.550000000000000044
2770	204.349999999999994	C15H24	\N	\N	1	CC1=CCCC(=C)C=C[C@H](CC1)C(C)C	15	0	0.599999999999999978	1	0	0	70.6800000000000068	0	3.22999999999999998	4.74000000000000021	4.88999999999999968	4.53000000000000025	4.00999999999999979	4.28000000000000025	-4.03000000000000025	0.0191999999999999983	9.39000000000000056e-05	Moderately soluble	-4.46999999999999975	0.0069300000000000004	3.38999999999999973e-05	Moderately soluble	-3.31999999999999984	0.0982999999999999985	0.000480999999999999982	Soluble	Low	No	No	No	No	Yes	No	No	-4.17999999999999972	1	0	0	0	1	0.550000000000000044
2771	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	5.07000000000000028	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
2772	220.349999999999994	C15H24O	\N	\N	1	OCC(=C)[C@H]1CC=C(C)CCC=C(CC1)C	16	0	0.599999999999999978	2	1	1	71.8400000000000034	20.2300000000000004	2.89999999999999991	3.39999999999999991	4.00999999999999979	3.45999999999999996	3.50999999999999979	3.45999999999999996	-3.2200000000000002	0.134000000000000008	0.000608000000000000033	Soluble	-3.5	0.0690000000000000058	0.000313000000000000019	Soluble	-2.99000000000000021	0.224000000000000005	0.00102000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-5.23000000000000043	0	0	0	0	1	0.550000000000000044
2773	218.330000000000013	C15H22O	\N	\N	1	O=CC(=C)[C@H]1CC=C(C)CCC=C(CC1)C	16	0	0.530000000000000027	2	1	0	70.8799999999999955	17.0700000000000003	2.74000000000000021	3.2799999999999998	4.20999999999999996	3.37000000000000011	3.81999999999999984	3.49000000000000021	-3.12999999999999989	0.163000000000000006	0.000745000000000000002	Soluble	-3.31000000000000005	0.105999999999999997	0.000485999999999999995	Soluble	-3.10999999999999988	0.169000000000000011	0.000773999999999999948	Soluble	High	Yes	No	No	No	Yes	No	No	-5.29999999999999982	0	0	0	0	1	0.550000000000000044
2775	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	3.2799999999999998	5.24000000000000021	4.73000000000000043	4.62999999999999989	4.13999999999999968	4.40000000000000036	-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
2776	220.349999999999994	C15H24O	\N	\N	1	O[C@H]1C[C@@H](C)[C@]2(C(=C1)C)CC[C@H](C2)C(=C)C	16	0	0.729999999999999982	1	1	1	69.9399999999999977	20.2300000000000004	3.00999999999999979	4.05999999999999961	3.70000000000000018	3.56000000000000005	3.22999999999999998	3.50999999999999979	-3.70000000000000018	0.0442000000000000032	0.00020000000000000001	Soluble	-4.19000000000000039	0.0143000000000000002	6.47000000000000006e-05	Moderately soluble	-2.74000000000000021	0.39700000000000002	0.00179999999999999995	Soluble	High	Yes	No	No	Yes	Yes	No	No	-4.75999999999999979	0	0	0	0	1	0.550000000000000044
2777	442.720000000000027	C30H50O2	\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(CC1)(C)C)C)C)C	32	0	0.930000000000000049	1	2	2	136.039999999999992	40.4600000000000009	4.41999999999999993	8.48000000000000043	7.13999999999999968	6	6.30999999999999961	6.46999999999999975	-7.86000000000000032	6.09000000000000014e-06	1.37999999999999995e-08	Poorly soluble	-9.19999999999999929	2.78999999999999997e-07	6.29999999999999996e-10	Poorly soluble	-6.58999999999999986	0.000112999999999999996	2.56000000000000016e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-2.97999999999999998	1	3	0	1	1	0.550000000000000044
2778	204.349999999999994	C15H24	\N	\N	1	C[C@@H]1CC[C@@H]2[C@H](C3=C(CC[C@H]13)C)C2(C)C	15	0	0.869999999999999996	0	0	0	67.1400000000000006	0	3.29000000000000004	4.09999999999999964	4.41999999999999993	5.65000000000000036	3.91000000000000014	4.26999999999999957	-3.68999999999999995	0.041700000000000001	0.000203999999999999998	Soluble	-3.81000000000000005	0.0320000000000000007	0.000155999999999999997	Soluble	-3.52000000000000002	0.0618999999999999967	0.000302999999999999992	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.63999999999999968	1	0	0	0	1	0.550000000000000044
2779	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
2780	204.349999999999994	C15H24	\N	\N	1	CC(=CCC[C@]1(C)[C@@H]2C[C@@H]3[C@@]1(C)[C@@H]3C2)C	15	0	0.869999999999999996	3	0	0	66.8799999999999955	0	3.43000000000000016	5.20999999999999996	4.41999999999999993	5.65000000000000036	4.26999999999999957	4.59999999999999964	-4.19000000000000039	0.0131999999999999999	6.43999999999999933e-05	Moderately soluble	-4.95999999999999996	0.00224999999999999983	1.09999999999999997e-05	Moderately soluble	-3.54999999999999982	0.0572999999999999968	0.000281	Soluble	Low	No	No	No	Yes	Yes	No	No	-3.85000000000000009	1	0	0	0	2	0.550000000000000044
2782	204.349999999999994	C15H24	\N	\N	1	CC1=C[C@H]2[C@H](CC1)C(=C)CC[C@@H]2C(C)C	15	0	0.729999999999999982	1	0	0	69.0400000000000063	0	3.39000000000000012	4.30999999999999961	4.58000000000000007	4.62999999999999989	4.00999999999999979	4.17999999999999972	-3.75999999999999979	0.0357999999999999985	0.000174999999999999998	Soluble	-4.01999999999999957	0.0194000000000000006	9.46999999999999979e-05	Moderately soluble	-3.31999999999999984	0.0982999999999999985	0.000480999999999999982	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.49000000000000021	1	0	0	0	1	0.550000000000000044
2783	204.349999999999994	C15H24	\N	\N	1	CC1=CC[C@]2(C[C@@H]1[C@]1(C)CCC[C@]21C)C	15	0	0.869999999999999996	0	0	0	66.6200000000000045	0	3.10999999999999988	4.75999999999999979	4.55999999999999961	5.65000000000000036	4.29999999999999982	4.48000000000000043	-4.11000000000000032	0.0160000000000000003	7.83999999999999948e-05	Moderately soluble	-4.49000000000000021	0.00659999999999999996	3.22999999999999991e-05	Moderately soluble	-3.9700000000000002	0.0218999999999999993	0.000106999999999999999	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.16999999999999993	1	0	0	0	1	0.550000000000000044
2785	204.349999999999994	C15H24	\N	\N	1	CC1=C2C=C(CC[C@]2(CCC1)C)C(C)C	15	0	0.729999999999999982	1	0	0	68.7800000000000011	0	3.37000000000000011	4.30999999999999961	4.87000000000000011	4.62999999999999989	4.51999999999999957	4.33999999999999986	-3.75999999999999979	0.0357999999999999985	0.000174999999999999998	Soluble	-4.01999999999999957	0.0194000000000000006	9.46999999999999979e-05	Moderately soluble	-3.9700000000000002	0.0218999999999999993	0.000106999999999999999	Soluble	Low	No	No	No	No	Yes	No	No	-4.49000000000000021	1	0	0	0	1	0.550000000000000044
2786	222.370000000000005	C15H26O	\N	\N	1	OC[C@H]1C(=CC[C@@H]2[C@]1(C)CCCC2(C)C)C	16	0	0.869999999999999996	1	1	1	70.1599999999999966	20.2300000000000004	3.04000000000000004	3.89999999999999991	3.7799999999999998	3.66999999999999993	3.5	3.58000000000000007	-3.60999999999999988	0.0546000000000000027	0.000246000000000000016	Soluble	-4.01999999999999957	0.0211000000000000007	9.48000000000000004e-05	Moderately soluble	-3.31000000000000005	0.109	0.000489999999999999984	Soluble	High	Yes	No	No	No	Yes	No	No	-4.88999999999999968	0	0	0	0	1	0.550000000000000044
2787	222.370000000000005	C15H26O	\N	\N	1	CC1=C[C@H]2[C@](CC1)(O)[C@@H](C)CC[C@@H]2C(C)C	16	0	0.869999999999999996	1	1	1	70.7199999999999989	20.2300000000000004	3.10000000000000009	3.70000000000000018	3.7799999999999998	3.66999999999999993	3.2200000000000002	3.49000000000000021	-3.47999999999999998	0.0729999999999999954	0.000328000000000000004	Soluble	-3.81999999999999984	0.0340000000000000024	0.000153000000000000006	Soluble	-2.72999999999999998	0.409999999999999976	0.00185000000000000008	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.03000000000000025	0	0	0	0	1	0.550000000000000044
2789	204.349999999999994	C15H24	\N	\N	1	CC1=CCCC(=CC=C(CC1)C(C)C)C	15	0	0.599999999999999978	1	0	0	70.6800000000000068	0	3.25999999999999979	5.54999999999999982	5.04000000000000004	4.53000000000000025	4.12000000000000011	4.5	-4.54000000000000004	0.00593000000000000037	2.90000000000000002e-05	Moderately soluble	-5.30999999999999961	0.00100000000000000002	4.88999999999999977e-06	Moderately soluble	-3.52000000000000002	0.0618999999999999967	0.000302999999999999992	Soluble	Low	No	No	No	No	Yes	No	No	-3.60999999999999988	1	0	0	0	2	0.550000000000000044
2790	204.349999999999994	C15H24	\N	\N	1	CC(=CCC/C(=C/1\\CCC(=CC1)C)/C)C	15	0	0.599999999999999978	3	0	0	70.6800000000000068	0	3.56999999999999984	6.33000000000000007	5.17999999999999972	4.53000000000000025	4.61000000000000032	4.84999999999999964	-4.90000000000000036	0.00258999999999999985	1.27000000000000004e-05	Moderately soluble	-6.12000000000000011	0.000155	7.58999999999999954e-07	Poorly soluble	-3.7799999999999998	0.0337999999999999967	0.000164999999999999999	Soluble	Low	No	No	Yes	No	Yes	No	No	-3.04999999999999982	1	0	0	0	2	0.550000000000000044
2791	204.349999999999994	C15H24	\N	\N	1	CC(=CC/C=C(/[C@H]1CCC(=CC1)C)\\C)C	15	0	0.599999999999999978	3	0	0	70.6800000000000068	0	3.7200000000000002	6.36000000000000032	5.04000000000000004	4.53000000000000025	4.33000000000000007	4.79999999999999982	-4.91999999999999993	0.00248	1.20999999999999993e-05	Moderately soluble	-6.15000000000000036	0.000144000000000000004	7.05999999999999996e-07	Poorly soluble	-3.20999999999999996	0.127000000000000002	0.000621000000000000024	Soluble	Low	No	No	No	No	Yes	No	No	-3.0299999999999998	1	0	0	0	2	0.550000000000000044
2792	204.349999999999994	C15H24	\N	\N	1	CC(=CCCC(=C)[C@H]1CCC(=CC1)C)C	15	0	0.599999999999999978	4	0	0	70.6800000000000068	0	3.66999999999999993	6.42999999999999972	5.04000000000000004	4.53000000000000025	4.5	4.83000000000000007	-4.88999999999999968	0.00260999999999999991	1.27999999999999994e-05	Moderately soluble	-6.21999999999999975	0.000121999999999999997	5.98000000000000034e-07	Poorly soluble	-3.58000000000000007	0.0536000000000000018	0.000262000000000000026	Soluble	Low	No	No	No	No	Yes	No	No	-2.97999999999999998	1	0	0	0	2	0.550000000000000044
2793	204.349999999999994	C15H24	\N	\N	1	CC1=CC[C@H](CC1)C1=CCCC(C1)(C)C	15	0	0.729999999999999982	1	0	0	68.7800000000000011	0	3.35000000000000009	4.32000000000000028	4.87000000000000011	4.62999999999999989	4.33999999999999986	4.29999999999999982	-3.75999999999999979	0.035299999999999998	0.000173000000000000004	Soluble	-4.03000000000000025	0.0189000000000000001	9.24999999999999987e-05	Moderately soluble	-3.64000000000000012	0.0466999999999999985	0.00022900000000000001	Soluble	Low	No	No	No	No	Yes	No	No	-4.48000000000000043	1	0	0	0	1	0.550000000000000044
2794	204.349999999999994	C15H24	\N	\N	1	CC1=CC[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	4.45999999999999996	4.58000000000000007	4.62999999999999989	3.72999999999999998	4.15000000000000036	-3.85000000000000009	0.0287999999999999992	0.000141000000000000012	Soluble	-4.17999999999999972	0.0134999999999999998	6.61999999999999964e-05	Moderately soluble	-3.06999999999999984	0.173999999999999988	0.000850999999999999977	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.37999999999999989	1	0	0	0	1	0.550000000000000044
2796	222.370000000000005	C15H26O	\N	\N	1	C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)C)O	16	0	1	0	1	1	68.5600000000000023	20.2300000000000004	2.95999999999999996	4.04999999999999982	3.60999999999999988	3.81000000000000005	3.39999999999999991	3.56999999999999984	-3.77000000000000002	0.0376999999999999974	0.000170000000000000012	Soluble	-4.17999999999999972	0.0146999999999999995	6.62999999999999988e-05	Moderately soluble	-3.18000000000000016	0.145999999999999991	0.000654999999999999983	Soluble	High	Yes	No	No	No	Yes	No	No	-4.78000000000000025	0	0	0	0	1	0.550000000000000044
2797	222.370000000000005	C15H26O	\N	\N	1	C[C@@H]1CC[C@@H]2[C@@]3([C@H]1CC[C@@]3(C)CC2(C)C)O	16	0	1	0	1	1	68.5600000000000023	20.2300000000000004	2.9700000000000002	3.87000000000000011	3.60999999999999988	3.81000000000000005	3.39999999999999991	3.5299999999999998	-3.66000000000000014	0.0490000000000000019	0.000220000000000000008	Soluble	-3.99000000000000021	0.0227000000000000014	0.000101999999999999999	Soluble	-3.18000000000000016	0.145999999999999991	0.000654999999999999983	Soluble	High	Yes	No	No	Yes	Yes	No	No	-4.91000000000000014	0	0	0	0	1	0.550000000000000044
2798	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	2.18000000000000016	2.56000000000000005	4.62999999999999989	1.83000000000000007	2.18999999999999995	2.68000000000000016	-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
2799	426.720000000000027	C30H50O	\N	\N	1	O[C@H]1CC[C@]2([C@H](C1(C)C)CCC1=C2CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C	31	0	0.930000000000000049	0	1	1	134.879999999999995	20.2300000000000004	4.67999999999999972	8.85999999999999943	8.3100000000000005	6.91999999999999993	7.30999999999999961	7.21999999999999975	-8.07000000000000028	3.65000000000000021e-06	8.56000000000000022e-09	Poorly soluble	-9.16999999999999993	2.87999999999999985e-07	6.76000000000000044e-10	Poorly soluble	-7.61000000000000032	1.04000000000000004e-05	2.42999999999999992e-08	Poorly soluble	Low	No	No	No	No	No	No	No	-2.60999999999999988	1	3	0	1	2	0.550000000000000044
2800	444.730000000000018	C30H52O2	\N	\N	1	CC(=CCC[C@@]([C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)(O)C)C	32	0	0.930000000000000049	4	2	2	138.719999999999999	40.4600000000000009	4.94000000000000039	8.53999999999999915	7.53000000000000025	6	6.65000000000000036	6.73000000000000043	-7.70999999999999996	8.60000000000000067e-06	1.93000000000000008e-08	Poorly soluble	-9.25999999999999979	2.42999999999999992e-07	5.45999999999999976e-10	Poorly soluble	-6.16999999999999993	0.000299000000000000004	6.71000000000000013e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-2.95000000000000018	1	3	0	1	1	0.550000000000000044
2801	426.720000000000027	C30H50O	\N	\N	1	C/C(=C\\CC[C@@H]([C@@]1(C)CCC2=C1CC[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O)C)/CCC=C(C)C	31	0	0.800000000000000044	7	1	1	138.939999999999998	20.2300000000000004	5.66999999999999993	9.00999999999999979	8.78999999999999915	6.71999999999999975	8.39000000000000057	7.71999999999999975	-7.70000000000000018	8.51999999999999974e-06	2.00000000000000004e-08	Poorly soluble	-9.33000000000000007	2.02000000000000009e-07	4.72000000000000024e-10	Poorly soluble	-7.23000000000000043	2.51999999999999993e-05	5.89999999999999989e-08	Poorly soluble	Low	No	Yes	No	No	No	No	No	-2.50999999999999979	1	3	0	1	2	0.550000000000000044
2802	426.720000000000027	C30H50O	\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@@]1(C2=CC(C)(C)CC1)C)C)C	31	0	0.930000000000000049	0	1	1	134.879999999999995	20.2300000000000004	4.75	9.38000000000000078	8.16999999999999993	6.91999999999999993	6.91999999999999993	7.23000000000000043	-8.40000000000000036	1.72000000000000005e-06	4.03000000000000035e-09	Poorly soluble	-9.71000000000000085	8.32999999999999981e-08	1.94999999999999999e-10	Poorly soluble	-7.16000000000000014	2.93000000000000007e-05	6.8499999999999998e-08	Poorly soluble	Low	No	No	No	No	No	No	No	-2.24000000000000021	1	3	0	1	2	0.550000000000000044
2804	426.720000000000027	C30H50O	\N	\N	1	C/C(=C\\CC/C=C(/CC[C@@H]1C(=CC[C@@H](C1(C)C)O)C)\\C)/CC/C=C(/CCC=C(C)C)\\C	31	0	0.67000000000000004	12	1	1	142.740000000000009	20.2300000000000004	5.59999999999999964	9.73000000000000043	9.26999999999999957	6.54000000000000004	8.91999999999999993	8.00999999999999979	-7.82000000000000028	6.40999999999999961e-06	1.49999999999999987e-08	Poorly soluble	-10.0700000000000003	3.6099999999999999e-08	8.45999999999999974e-11	Insoluble	-6.83999999999999986	6.10999999999999944e-05	1.42999999999999997e-07	Poorly soluble	Low	No	Yes	Yes	No	No	No	No	-1.98999999999999999	1	3	1	1	2	0.550000000000000044
2805	444.730000000000018	C30H52O2	\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@@]1([C@@H]2[C@@H](CC1)C(O)(C)C)C)C)C	32	0	1	1	2	2	136.819999999999993	40.4600000000000009	4.57000000000000028	8.35999999999999943	7.21999999999999975	6.13999999999999968	6.04000000000000004	6.46999999999999975	-7.79999999999999982	7.07999999999999998e-06	1.59000000000000001e-08	Poorly soluble	-9.08000000000000007	3.73000000000000018e-07	8.38999999999999998e-10	Poorly soluble	-6.13999999999999968	0.000320999999999999996	7.23000000000000002e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-3.08000000000000007	1	3	0	1	1	0.550000000000000044
2806	796.980000000000018	C42H68O14	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)C[C@H]2O)C)C)C)[C@@H]([C@H]([C@H]1O)O)O	56	0	0.930000000000000049	7	14	9	202.580000000000013	236.060000000000002	3.75999999999999979	3.45999999999999996	1.85000000000000009	0.140000000000000013	0.819999999999999951	2.00999999999999979	-6.5	0.000253000000000000024	3.16999999999999993e-07	Poorly soluble	-8.09999999999999964	6.35000000000000019e-06	7.95999999999999981e-09	Poorly soluble	-1.64999999999999991	18	0.0224999999999999992	Soluble	Low	No	Yes	No	No	No	No	No	-8.69999999999999929	3	3	1	1	4	0.110000000000000001
2807	490.54000000000002	C26H34O9	\N	\N	1	OC[C@H]1O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)O)\\C)\\C)/C)/C)[C@@H]([C@H]([C@@H]1O)O)O	35	0	0.380000000000000004	11	9	5	130.449999999999989	153.75	3.33000000000000007	3.60999999999999988	1.87000000000000011	0.800000000000000044	2.45000000000000018	2.41000000000000014	-4.42999999999999972	0.0182000000000000009	3.7200000000000003e-05	Moderately soluble	-6.53000000000000025	0.000145999999999999998	2.97999999999999995e-07	Poorly soluble	0.959999999999999964	4530	9.23000000000000043	Soluble	Low	No	Yes	No	No	No	No	No	-6.73000000000000043	0	2	2	1	1	0.110000000000000001
2808	222.370000000000005	C15H26O	\N	\N	1	CC1=C2C[C@@H](CC[C@@]2(CCC1)C)C(O)(C)C	16	0	0.869999999999999996	1	1	1	70.4599999999999937	20.2300000000000004	2.95000000000000018	3.39000000000000012	4.05999999999999961	3.66999999999999993	3.75	3.56000000000000005	-3.29000000000000004	0.114000000000000004	0.00051500000000000005	Soluble	-3.49000000000000021	0.0713000000000000023	0.000320999999999999996	Soluble	-3.41000000000000014	0.0856999999999999984	0.00038499999999999998	Soluble	High	Yes	No	No	No	No	No	No	-5.25	0	0	0	0	1	0.550000000000000044
2809	426.720000000000027	C30H50O	\N	\N	1	CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)C	31	0	0.869999999999999996	4	1	1	137.039999999999992	20.2300000000000004	5.12000000000000011	9.21000000000000085	8.33999999999999986	6.82000000000000028	7.40000000000000036	7.37999999999999989	-8.01999999999999957	4.04000000000000028e-06	9.46000000000000001e-09	Poorly soluble	-9.52999999999999936	1.24999999999999994e-07	2.93000000000000022e-10	Poorly soluble	-6.75	7.64000000000000004e-05	1.79000000000000001e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-2.35999999999999988	1	3	0	1	2	0.550000000000000044
2811	204.349999999999994	C15H24	\N	\N	1	CC1=CCCC(=C)[C@H]2[C@H](CC1)C(C2)(C)C	15	0	0.729999999999999982	0	0	0	68.7800000000000011	0	3.31000000000000005	4.37999999999999989	4.73000000000000043	4.62999999999999989	4.19000000000000039	4.25	-3.87000000000000011	0.0277999999999999983	0.000135999999999999999	Soluble	-4.09999999999999964	0.0164000000000000014	8.00999999999999954e-05	Moderately soluble	-3.77000000000000002	0.0349000000000000005	0.000171000000000000009	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.44000000000000039	1	0	0	0	1	0.550000000000000044
2812	325.360000000000014	C19H19NO4	\N	\N	1	COc1cc2CCN([C@@H]3c2c(c1O)c1cc2OCOc2cc1C3)C	24	12	0.369999999999999996	1	5	1	93.5499999999999972	51.1599999999999966	3.0299999999999998	2.91999999999999993	2.18000000000000016	2.16000000000000014	3.27000000000000002	2.70999999999999996	-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	No	Yes	Yes	-6.20999999999999996	0	0	0	0	0	0.550000000000000044
2813	385.410000000000025	C21H23NO6	\N	\N	1	O=CN[C@H]1CCc2c(c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC	28	13	0.330000000000000016	6	6	1	104.939999999999998	83.0900000000000034	2.83000000000000007	1.04000000000000004	2.16000000000000014	1.20999999999999996	3.66000000000000014	2.18000000000000016	-2.83000000000000007	0.566999999999999948	0.00146999999999999995	Soluble	-2.37999999999999989	1.62000000000000011	0.0042100000000000002	Soluble	-6.28000000000000025	0.00020000000000000001	5.19999999999999998e-07	Poorly soluble	High	No	Yes	No	No	No	Yes	Yes	-7.91000000000000014	0	0	0	0	0	0.550000000000000044
2814	328.410000000000025	C19H24N2O3	\N	\N	1	CC[C@H]1N[C@@H]2[C@@H]3[C@H]1C[C@H]([C@]1(C2)c2ccccc2N(C1=O)OC)OC3	24	6	0.630000000000000004	2	4	1	97.1299999999999955	50.7999999999999972	2.91999999999999993	1.91999999999999993	1.25	2.33000000000000007	1.67999999999999994	2.02000000000000002	-3.14000000000000012	0.23899999999999999	0.000726999999999999999	Soluble	-2.60999999999999988	0.805000000000000049	0.00244999999999999992	Soluble	-3.91000000000000014	0.0407000000000000001	0.000124000000000000005	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.94000000000000039	0	0	0	0	0	0.550000000000000044
2815	576.720000000000027	C32H48O9	\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]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@H]([C@@H]1O)C	41	0	0.880000000000000004	6	9	2	150.449999999999989	120.75	4.25	2.66999999999999993	3.68000000000000016	2.45999999999999996	2.9700000000000002	3.20999999999999996	-4.70000000000000018	0.0114999999999999998	1.98999999999999992e-05	Moderately soluble	-4.86000000000000032	0.00800000000000000017	1.39000000000000007e-05	Moderately soluble	-3.56000000000000005	0.159000000000000002	0.000275999999999999987	Soluble	High	No	Yes	No	No	No	No	No	-7.91999999999999993	1	3	0	0	0	0.550000000000000044
2816	339.389999999999986	C20H21NO4	\N	\N	1	COc1c(OC)cc2c3c1c1cc4OCOc4cc1C[C@@H]3N(CC2)C	25	12	0.400000000000000022	2	5	0	98.019999999999996	40.1599999999999966	3.56999999999999984	3.24000000000000021	2.47999999999999998	2.37999999999999989	3.79000000000000004	3.08999999999999986	-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
2817	712.779999999999973	C35H52O15	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)[C@@H]([C@H]([C@@H]1O)O)O	50	0	0.890000000000000013	7	15	8	169.759999999999991	242.129999999999995	2.75	-2.06999999999999984	-1.42999999999999994	-1.90999999999999992	-0.989999999999999991	-0.729999999999999982	-2.49000000000000021	2.29000000000000004	0.00321000000000000018	Soluble	-2.49000000000000021	2.31999999999999984	0.00324999999999999985	Soluble	0.380000000000000004	1730	2.41999999999999993	Soluble	Low	No	No	No	No	No	No	No	-12.1199999999999992	3	4	1	1	5	0.170000000000000012
2819	404.5	C23H32O6	\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]1C1=CC(=O)OC1)C)O	29	0	0.82999999999999996	2	6	3	106.159999999999997	104.060000000000002	2.12000000000000011	0.640000000000000013	1.89999999999999991	1.82000000000000006	2.64000000000000012	1.82000000000000006	-2.62000000000000011	0.971999999999999975	0.00239999999999999979	Soluble	-2.39999999999999991	1.6100000000000001	0.00398000000000000003	Soluble	-2.64999999999999991	0.914000000000000035	0.00225999999999999986	Soluble	High	No	Yes	No	No	No	No	No	-8.3100000000000005	0	0	0	0	0	0.550000000000000044
2820	583.710000000000036	C33H45NO8	\N	\N	1	O=C(C[C@@H](c1ccccc1)N(C)C)O[C@@H]1CC[C@]2([C@H](C1=C)[C@@H](O)[C@@]1(O)CC(=O)C(=C([C@@H]([C@H]2O)OC(=O)C)C1(C)C)C)C	42	6	0.609999999999999987	8	9	3	157.77000000000001	133.599999999999994	3.29999999999999982	1.67999999999999994	2.95000000000000018	1.83000000000000007	3.64999999999999991	2.68000000000000016	-4.09999999999999964	0.0468999999999999972	8.03000000000000003e-05	Moderately soluble	-4.09999999999999964	0.0463999999999999968	7.94000000000000055e-05	Moderately soluble	-5.49000000000000021	0.00187999999999999994	3.21000000000000018e-06	Moderately soluble	High	No	Yes	No	No	No	No	Yes	-8.66999999999999993	1	3	0	1	0	0.550000000000000044
2821	499.589999999999975	C25H41NO9	\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]3O)([C@H]([C@@H]2O)OC)O)O)[C@H](C[C@H]1O)OC	35	0	1	6	10	5	126.120000000000005	141.310000000000002	2.50999999999999979	-2.5299999999999998	-2.16999999999999993	-1.3600000000000001	-1.05000000000000004	-0.92000000000000004	-0.949999999999999956	56.3999999999999986	0.113000000000000003	Very soluble	0.110000000000000001	639	1.28000000000000003	Highly soluble	-0.270000000000000018	268	0.536000000000000032	Soluble	Low	No	Yes	No	No	No	No	No	-11.1400000000000006	0	3	1	1	1	0.550000000000000044
2822	584.700000000000045	C33H44O9	\N	\N	1	CC(=O)O[C@@H]1[C@H](C)C=CC(C)(C)[C@H](OC(=O)C)C[C@H](C(=C[C@@H]2[C@]1(O)C[C@H]([C@H]2OC(=O)c1ccccc1)C)C)OC(=O)C	42	6	0.57999999999999996	9	9	1	157.52000000000001	125.430000000000007	4.94000000000000039	5.13999999999999968	4.95999999999999996	3.64000000000000012	3.68000000000000016	4.46999999999999975	-6.21999999999999975	0.00035599999999999998	6.09000000000000014e-07	Poorly soluble	-7.51999999999999957	1.76999999999999999e-05	3.03e-08	Poorly soluble	-5.20999999999999996	0.00357999999999999985	6.11999999999999985e-06	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-6.21999999999999975	1	3	0	0	1	0.550000000000000044
2823	452.54000000000002	C24H36O8	\N	\N	1	CC(=O)O[C@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](OC(=O)C)[C@]1([C@H]([C@]3(C)O)[C@H]3[C@@H](C1(C)C)O3)O)C[C@@]2(C)O	32	0	0.92000000000000004	4	8	3	113.650000000000006	125.819999999999993	3.10999999999999988	0.82999999999999996	1.33000000000000007	1.35000000000000009	1.87999999999999989	1.69999999999999996	-2.89999999999999991	0.563999999999999946	0.00125000000000000003	Soluble	-3.04999999999999982	0.399000000000000021	0.000881999999999999972	Soluble	-2.22999999999999998	2.66999999999999993	0.00589999999999999986	Soluble	High	No	Yes	No	No	No	No	No	-8.47000000000000064	0	0	0	0	0	0.550000000000000044
2824	260.370000000000005	C17H24O2	\N	\N	1	CCCCC[C@@H](/C=C/C=C/C#CC#CCCCO)O	19	0	0.530000000000000027	8	2	2	81.5300000000000011	40.4600000000000009	4.04000000000000004	3.79000000000000004	2.97999999999999998	3.33000000000000007	4.34999999999999964	3.70000000000000018	-3.31000000000000005	0.126000000000000001	0.000485000000000000025	Soluble	-4.33000000000000007	0.0120999999999999996	4.6400000000000003e-05	Moderately soluble	-2.35000000000000009	1.16999999999999993	0.00449000000000000007	Soluble	High	Yes	No	Yes	No	Yes	No	No	-5.20000000000000018	0	0	0	0	0	0.550000000000000044
2826	258.360000000000014	C17H22O2	\N	\N	1	CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O	19	0	0.409999999999999976	7	2	2	81.0600000000000023	40.4600000000000009	3.75999999999999979	3.37999999999999989	2.75	3.24000000000000021	4.16999999999999993	3.45999999999999996	-3.10999999999999988	0.201000000000000012	0.000778000000000000046	Soluble	-3.91000000000000014	0.0318999999999999978	0.000124000000000000005	Soluble	-1.62999999999999989	6.07000000000000028	0.0235000000000000001	Soluble	High	Yes	No	Yes	No	Yes	No	No	-5.48000000000000043	0	0	0	0	0	0.550000000000000044
2827	286.319999999999993	C17H18O4	\N	\N	1	Oc1ccc(cc1)[C@@H]1OC[C@H]([C@@H](C1)c1ccc(cc1)O)O	21	12	0.28999999999999998	2	4	3	79.2999999999999972	69.9200000000000017	2.14999999999999991	2.16000000000000014	2.37999999999999989	1.57000000000000006	2.25999999999999979	2.10999999999999988	-3.27000000000000002	0.154999999999999999	0.000541000000000000031	Soluble	-3.25999999999999979	0.157000000000000001	0.000547999999999999985	Soluble	-3.62000000000000011	0.0685000000000000053	0.000239000000000000009	Soluble	High	Yes	Yes	Yes	No	No	Yes	No	-6.50999999999999979	0	0	0	0	0	0.550000000000000044
2828	204.349999999999994	C15H24	\N	\N	1	CC(=C)[C@@H]1CC[C@@H](C2=C(C1)[C@@H](C)CC2)C	15	0	0.729999999999999982	1	0	0	69.0400000000000063	0	3.41000000000000014	4.58000000000000007	4.73000000000000043	4.62999999999999989	4.13999999999999968	4.29999999999999982	-3.93000000000000016	0.0241999999999999993	0.000117999999999999995	Soluble	-4.29999999999999982	0.0102000000000000007	4.97000000000000019e-05	Moderately soluble	-3.54999999999999982	0.0579000000000000001	0.000282999999999999994	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.29000000000000004	1	0	0	0	1	0.550000000000000044
2829	204.349999999999994	C15H24	\N	\N	1	CC(=C)[C@@H]1CCC(=C2[C@@H](C1)[C@@H](C)CC2)C	15	0	0.729999999999999982	1	0	0	69.0400000000000063	0	3.37000000000000011	4.61000000000000032	4.73000000000000043	4.62999999999999989	4.13999999999999968	4.29999999999999982	-3.95000000000000018	0.0231999999999999984	0.000112999999999999996	Soluble	-4.33000000000000007	0.00945000000000000007	4.61999999999999981e-05	Moderately soluble	-3.54999999999999982	0.0579000000000000001	0.000282999999999999994	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.26999999999999957	1	0	0	0	1	0.550000000000000044
2830	204.349999999999994	C15H24	\N	\N	1	CC(=CCC[C@H](C1=CC=C(CC1)C)C)C	15	0	0.599999999999999978	4	0	0	70.6800000000000068	0	3.56999999999999984	6.21999999999999975	5.04000000000000004	4.53000000000000025	4.48000000000000043	4.76999999999999957	-4.75999999999999979	0.00354000000000000018	1.73000000000000004e-05	Moderately soluble	-6.00999999999999979	0.000202000000000000004	9.87000000000000037e-07	Poorly soluble	-3.54999999999999982	0.0572999999999999968	0.000281	Soluble	Low	No	No	No	No	Yes	No	No	-3.12999999999999989	1	0	0	0	2	0.550000000000000044
2831	222.370000000000005	C15H26O	\N	\N	1	C[C@@H]1CC[C@@H]([C@@]2([C@@H]1[C@H]1[C@H](C1(C)C)CC2)C)O	16	0	1	0	1	1	68.519999999999996	20.2300000000000004	2.97999999999999998	3.95000000000000018	3.4700000000000002	3.81000000000000005	3	3.43999999999999995	-3.70999999999999996	0.0435999999999999999	0.000195999999999999994	Soluble	-4.07000000000000028	0.0187000000000000013	8.42000000000000002e-05	Moderately soluble	-2.72999999999999998	0.409999999999999976	0.00185000000000000008	Soluble	High	Yes	No	No	Yes	Yes	No	No	-4.84999999999999964	0	0	0	0	1	0.550000000000000044
2832	432.45999999999998	C23H28O8	\N	\N	1	COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1	31	5	0.650000000000000022	5	8	0	107.390000000000001	109.109999999999999	2.68999999999999995	2.50999999999999979	2.68000000000000016	1.56000000000000005	2.91999999999999993	2.4700000000000002	-3.89000000000000012	0.0555000000000000007	0.000127999999999999994	Soluble	-4.45000000000000018	0.0154000000000000005	3.57000000000000004e-05	Moderately soluble	-4.37999999999999989	0.0179999999999999986	4.16999999999999972e-05	Moderately soluble	High	No	No	No	No	No	No	No	-7.16000000000000014	0	0	0	0	0	0.550000000000000044
2834	306.399999999999977	C18H26O4	\N	\N	1	COc1cc(COC(=O)CCCC/C=C/C(C)C)ccc1O	22	6	0.5	10	4	1	88.7999999999999972	55.759999999999998	4.07000000000000028	4.16000000000000014	4.05999999999999961	3.10000000000000009	4.41999999999999993	3.95999999999999996	-3.89999999999999991	0.0383999999999999966	0.000125000000000000003	Soluble	-5.04000000000000004	0.00279999999999999997	9.14000000000000058e-06	Moderately soluble	-4.55999999999999961	0.00839999999999999948	2.73999999999999985e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	No	-5.21999999999999975	0	0	0	0	0	0.550000000000000044
2835	161.219999999999999	C6H11NO2S	\N	\N	1	CS/C=C/C(=O)NCCO	10	0	0.5	5	2	2	42.240000000000002	74.6299999999999955	1.45999999999999996	-0.390000000000000013	-0.0299999999999999989	-0.119999999999999996	0.280000000000000027	0.239999999999999991	-0.260000000000000009	87.7999999999999972	0.54500000000000004	Very soluble	-0.709999999999999964	31.1999999999999993	0.193000000000000005	Very soluble	-0.689999999999999947	32.7999999999999972	0.203000000000000014	Soluble	High	No	No	No	No	No	No	No	-7.55999999999999961	0	0	0	0	1	0.550000000000000044
2836	372.449999999999989	C22H28O5	\N	\N	1	CC(=O)O[C@H](c1ccoc1)C[C@@]1(C)[C@H](C)CC[C@@]23[C@@H]1CCC=C3C(=O)OC2	27	5	0.640000000000000013	5	5	0	100.629999999999995	65.7399999999999949	2.93999999999999995	4.28000000000000025	4.26999999999999957	3.00999999999999979	4.28000000000000025	3.75999999999999979	-4.65000000000000036	0.00829000000000000049	2.22999999999999999e-05	Moderately soluble	-5.37000000000000011	0.00158000000000000002	4.24000000000000006e-06	Moderately soluble	-5.08000000000000007	0.00307999999999999984	8.26000000000000054e-06	Moderately soluble	High	Yes	No	No	No	Yes	Yes	Yes	-5.53000000000000025	0	0	0	0	0	0.550000000000000044
2837	460.519999999999982	C25H32O8	\N	\N	1	CCCC(=O)C1=C(O)C(=C(C(C1=O)(C)C)O)CC1=C(O)C(C(=O)C(=C1O)C(=O)CCC)(C)C	33	0	0.520000000000000018	8	8	4	122.730000000000004	149.199999999999989	2.87000000000000011	3.0299999999999998	4.58000000000000007	-0.57999999999999996	4.33000000000000007	2.85000000000000009	-4.08000000000000007	0.0386000000000000024	8.39000000000000065e-05	Moderately soluble	-5.83000000000000007	0.000683000000000000013	1.48000000000000002e-06	Moderately soluble	-4.66000000000000014	0.0100999999999999996	2.19000000000000004e-05	Moderately soluble	Low	No	Yes	No	Yes	Yes	No	Yes	-6.95999999999999996	0	0	1	1	0	0.560000000000000053
2838	252.259999999999991	C13H16O5	\N	\N	1	O=Cc1c(O)c(C(=O)CC(C)C)c(c(c1O)C)O	18	6	0.380000000000000004	4	5	3	67.480000000000004	94.8299999999999983	1.18999999999999995	2.72999999999999998	2.14999999999999991	0.479999999999999982	2.39000000000000012	1.79000000000000004	-3.10999999999999988	0.197000000000000008	0.000782000000000000034	Soluble	-4.37999999999999989	0.0106	4.21000000000000001e-05	Moderately soluble	-2.18999999999999995	1.62999999999999989	0.0064599999999999996	Soluble	High	No	No	No	No	No	No	No	-5.90000000000000036	0	0	0	0	0	0.550000000000000044
2840	206.189999999999998	C11H10O4	\N	\N	1	COc1cc(O)c2c(c1)oc(cc2=O)C	15	10	0.179999999999999993	1	4	1	55.9699999999999989	59.6700000000000017	2.33999999999999986	2.58000000000000007	1.82000000000000006	0.239999999999999991	2.41000000000000014	1.87999999999999989	-3.16999999999999993	0.139000000000000012	0.000674000000000000011	Soluble	-3.47999999999999998	0.0680000000000000049	0.000329999999999999998	Soluble	-3.56000000000000005	0.0572000000000000008	0.000277000000000000011	Soluble	High	Yes	No	Yes	No	No	No	No	-5.73000000000000043	0	0	0	0	0	0.550000000000000044
2841	312.399999999999977	C20H24O3	\N	\N	1	COc1cc(CCC(=O)CCCCc2ccccc2)ccc1O	23	12	0.349999999999999978	9	3	1	93.4500000000000028	46.5300000000000011	3.58000000000000007	3.89999999999999991	4.32000000000000028	3.43999999999999995	5.21999999999999975	4.08999999999999986	-4.03000000000000025	0.0293999999999999991	9.41999999999999993e-05	Moderately soluble	-4.58000000000000007	0.00830999999999999968	2.65999999999999994e-05	Moderately soluble	-6.83000000000000007	4.64999999999999986e-05	1.48999999999999997e-07	Poorly soluble	High	Yes	No	Yes	Yes	No	Yes	Yes	-5.44000000000000039	0	0	0	0	0	0.550000000000000044
2842	318.449999999999989	C20H30O3	\N	\N	1	OC(=O)[C@]1(C)CCC[C@@]2([C@@H]1CC[C@@]13[C@H]2CC[C@](C3)(C(=C)C1)O)C	23	0	0.849999999999999978	1	3	2	91.519999999999996	57.5300000000000011	2.60999999999999988	3.79000000000000004	4.16000000000000014	3.75	3.83000000000000007	3.62999999999999989	-4.13999999999999968	0.0233000000000000013	7.31000000000000015e-05	Moderately soluble	-4.69000000000000039	0.00647000000000000006	2.02999999999999988e-05	Moderately soluble	-3.75	0.0568000000000000033	0.00017799999999999999	Soluble	High	Yes	Yes	No	No	Yes	No	No	-5.54999999999999982	0	0	0	0	0	0.560000000000000053
2843	596.879999999999995	C35H64O7	\N	\N	1	CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CCCC[C@@H](CCCCC[C@H](CC1=C[C@@H](OC1=O)C)O)O)O)O	42	0	0.910000000000000031	26	7	4	172.669999999999987	116.450000000000003	6.80999999999999961	8.41999999999999993	7.05999999999999961	3.45999999999999996	8.88000000000000078	6.92999999999999972	-7.12999999999999989	4.42999999999999994e-05	7.4299999999999997e-08	Poorly soluble	-10.7300000000000004	1.09999999999999992e-08	1.83999999999999991e-11	Insoluble	-7.40000000000000036	2.39000000000000016e-05	4.00000000000000008e-08	Poorly soluble	Low	No	No	No	No	No	No	Yes	-3.95999999999999996	1	4	1	1	2	0.550000000000000044
2844	350.449999999999989	C20H30O5	\N	\N	1	OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2C/C=C/1\\[C@H](O)COC1=O)C	25	0	0.75	3	5	3	95.2099999999999937	86.9899999999999949	2.60999999999999988	2.16000000000000014	1.95999999999999996	1.97999999999999998	2.93999999999999995	2.33000000000000007	-3.18000000000000016	0.234000000000000014	0.00066699999999999995	Soluble	-3.62000000000000011	0.0841999999999999971	0.000240000000000000006	Soluble	-2.68999999999999995	0.721999999999999975	0.0020600000000000002	Soluble	High	No	Yes	No	No	No	No	No	-6.90000000000000036	0	0	0	0	0	0.550000000000000044
2845	319.439999999999998	C19H29NO3	\N	\N	1	COc1cc(CNC(=O)CCCC/C=C/CC(C)C)ccc1O	23	6	0.530000000000000027	11	3	2	95.3299999999999983	58.5600000000000023	3.4700000000000002	4.04999999999999982	4.03000000000000025	2.93000000000000016	4.51999999999999957	3.79999999999999982	-3.83999999999999986	0.0463000000000000009	0.000145000000000000001	Soluble	-4.98000000000000043	0.00332000000000000003	1.04000000000000004e-05	Moderately soluble	-5.26999999999999957	0.00170999999999999993	5.36000000000000035e-06	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.37000000000000011	0	0	1	0	0	0.550000000000000044
2847	286.410000000000025	C19H26O2	\N	\N	1	CCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C	21	6	0.469999999999999973	4	2	2	90.2399999999999949	40.4600000000000009	3.54000000000000004	5.44000000000000039	5.07000000000000028	3.85999999999999988	4.62000000000000011	4.5	-4.99000000000000021	0.00292999999999999988	1.02000000000000006e-05	Moderately soluble	-6.04999999999999982	0.000257999999999999983	8.99999999999999959e-07	Poorly soluble	-4.62000000000000011	0.00691999999999999994	2.41999999999999987e-05	Moderately soluble	High	Yes	No	No	Yes	Yes	No	Yes	-4.17999999999999972	0	0	0	0	1	0.550000000000000044
2848	330.45999999999998	C21H30O3	\N	\N	1	CCCCCc1cc(O)c2c(c1)O[C@H]1[C@@H]2[C@@H](CC[C@]1(C)O)C(=C)C	24	6	0.619999999999999996	5	3	2	99.0699999999999932	49.6899999999999977	3.37999999999999989	5.42999999999999972	4.70999999999999996	3.50999999999999979	4.79000000000000004	4.36000000000000032	-5.16000000000000014	0.00225999999999999986	6.83999999999999973e-06	Moderately soluble	-6.23000000000000043	0.000194999999999999996	5.89999999999999963e-07	Poorly soluble	-5.13999999999999968	0.00237000000000000014	7.16000000000000006e-06	Moderately soluble	High	Yes	No	No	No	Yes	Yes	No	-4.45999999999999996	0	0	0	0	1	0.550000000000000044
2849	316.480000000000018	C21H32O2	\N	\N	1	CCCCCc1cc(O)c(c(c1)O)C/C=C(/CCC=C(C)C)\\C	23	6	0.520000000000000018	9	2	2	101.959999999999994	40.4600000000000009	4.30999999999999961	7.41999999999999993	6.07000000000000028	4.70000000000000018	6.20999999999999996	5.74000000000000021	-6.08000000000000007	0.000266000000000000015	8.40000000000000004e-07	Poorly soluble	-8.09999999999999964	2.51000000000000011e-06	7.93000000000000053e-09	Poorly soluble	-5.79000000000000004	0.000511999999999999977	1.61999999999999995e-06	Moderately soluble	High	No	No	Yes	Yes	No	Yes	No	-2.95999999999999996	1	1	0	1	1	0.550000000000000044
2850	152.22999999999999	C10H16O	\N	\N	1	O=CC1=C(C)CCCC1(C)C	11	0	0.699999999999999956	1	1	0	47.5399999999999991	17.0700000000000003	2.22999999999999998	2.43000000000000016	2.70999999999999996	2.20000000000000018	3.0299999999999998	2.52000000000000002	-2.25	0.858999999999999986	0.00564000000000000005	Soluble	-2.43000000000000016	0.563999999999999946	0.00370000000000000016	Soluble	-2.60000000000000009	0.383000000000000007	0.0025200000000000001	Soluble	High	Yes	No	No	No	No	No	No	-5.5	0	1	0	0	2	0.550000000000000044
2851	248.27000000000001	C14H16O4	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C(=O)O)/C)/C=C/C(=O)O	18	0	0.140000000000000013	6	4	2	70.5900000000000034	74.5999999999999943	2.10999999999999988	3.37999999999999989	2.7200000000000002	2.22999999999999998	2.20999999999999996	2.5299999999999998	-3.10999999999999988	0.192000000000000004	0.000770999999999999984	Soluble	-4.62999999999999989	0.00587999999999999981	2.37000000000000001e-05	Moderately soluble	0.140000000000000013	344	1.3899999999999999	Soluble	High	Yes	No	No	Yes	No	No	No	-5.41000000000000014	0	0	0	0	0	0.560000000000000053
2852	360.399999999999977	C20H24O6	\N	\N	1	OC[C@@H]1[C@@H](CO[C@H]1c1ccc(c(c1)OC)O)Cc1ccc(c(c1)OC)O	26	12	0.400000000000000022	6	6	3	97.0900000000000034	88.3799999999999955	2.9700000000000002	2.39999999999999991	2.33000000000000007	1.16999999999999993	2.85999999999999988	2.33999999999999986	-3.5299999999999998	0.105999999999999997	0.000293999999999999991	Soluble	-3.89999999999999991	0.0456000000000000016	0.000126999999999999997	Soluble	-4.37000000000000011	0.0154999999999999999	4.30999999999999973e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-6.79000000000000004	0	0	0	0	0	0.550000000000000044
2854	362.420000000000016	C20H26O6	\N	\N	1	OC[C@H]([C@H](Cc1ccc(c(c1)OC)O)CO)Cc1ccc(c(c1)OC)O	26	12	0.400000000000000022	9	6	4	99.2800000000000011	99.3799999999999955	2.97999999999999998	2.52000000000000002	2.12000000000000011	1.56000000000000005	3.33999999999999986	2.5	-3.41999999999999993	0.137000000000000011	0.000378000000000000027	Soluble	-4.25	0.0201999999999999992	5.58000000000000011e-05	Moderately soluble	-4.54000000000000004	0.0105000000000000007	2.90000000000000002e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-6.71999999999999975	0	0	0	0	0	0.550000000000000044
2855	560.720000000000027	C32H48O8	\N	\N	1	CC(=O)OC(CCC(=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@H](O)C(=O)C2(C)C)C)C)(O)C)(C)C	40	0	0.810000000000000053	7	8	3	151.409999999999997	138.199999999999989	3.29999999999999982	2.70000000000000018	3.7200000000000002	1.85000000000000009	4.67999999999999972	3.25	-4.55999999999999961	0.0155999999999999993	2.78000000000000015e-05	Moderately soluble	-5.25999999999999979	0.00311999999999999994	5.56000000000000013e-06	Moderately soluble	-4.98000000000000043	0.00587000000000000022	1.04999999999999994e-05	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-7.79999999999999982	1	3	0	1	0	0.550000000000000044
\.


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