1170	475.620000000000005	C29H37N3O3	\N	\N	1	CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1c2cccc1)cc(c(c3O)OC)OC	35	15	0.520000000000000018	5	5	3	147.949999999999989	69.75	4.25	4.61000000000000032	3.70000000000000018	2.87999999999999989	4.88999999999999968	4.07000000000000028	-5.67999999999999972	0.000992999999999999959	2.08999999999999989e-06	Moderately soluble	-5.79999999999999982	0.000754000000000000004	1.59000000000000002e-06	Moderately soluble	-7.75999999999999979	8.25000000000000063e-06	1.72999999999999994e-08	Poorly soluble	High	Yes	Yes	No	No	No	No	No	-5.92999999999999972	0	2	0	0	0	0.550000000000000044
1172	325.360000000000014	C19H19NO4	\N	\N	1	COC1=C[C@@]23CCN([C@@H](C2=CC1=O)Cc1c3cc2OCOc2c1)C	24	6	0.419999999999999984	1	5	0	91.2000000000000028	48	2.93000000000000016	2.14000000000000012	1.57000000000000006	1.62000000000000011	2.66000000000000014	2.18999999999999995	-3.31999999999999984	0.153999999999999998	0.000473999999999999975	Soluble	-2.7799999999999998	0.540000000000000036	0.00166000000000000002	Soluble	-3.89999999999999991	0.0413000000000000034	0.000126999999999999997	Soluble	High	Yes	No	Yes	No	Yes	Yes	Yes	-6.76999999999999957	0	0	0	0	0	0.550000000000000044
1173	407.5	C25H29NO4	\N	\N	1	COc1cc(O)c(c2c1[C@H](C)N[C@H](C2)C)c1c(C)cc(c2c1cccc2OC)OC	30	16	0.359999999999999987	4	5	2	124.799999999999997	59.9500000000000028	4.37999999999999989	4.95999999999999996	4.44000000000000039	2.85999999999999988	5.33000000000000007	4.38999999999999968	-5.62000000000000011	0.000973000000000000015	2.38999999999999999e-06	Moderately soluble	-5.95999999999999996	0.000449999999999999988	1.10000000000000006e-06	Moderately soluble	-7.90000000000000036	5.18000000000000038e-06	1.26999999999999996e-08	Poorly soluble	High	Yes	Yes	No	Yes	No	No	Yes	-5.25999999999999979	0	0	0	0	0	0.550000000000000044
1174	335.439999999999998	C19H29NO4	\N	\N	1	OCC[C@H]1C[C@@H]2N(C[C@@H]1CC)CCc1c2cc(OC)c(c1O)OC	24	6	0.680000000000000049	5	5	2	98.3900000000000006	62.1599999999999966	3.25	2.62999999999999989	2.0299999999999998	1.73999999999999999	2.64000000000000012	2.45999999999999996	-3.43000000000000016	0.123999999999999999	0.000369999999999999995	Soluble	-3.58999999999999986	0.0870999999999999969	0.000259999999999999977	Soluble	-3.66000000000000014	0.0737000000000000016	0.000220000000000000008	Soluble	High	Yes	No	No	No	No	Yes	No	-6.48000000000000043	0	0	0	0	0	0.550000000000000044
1175	281.310000000000002	C17H15NO3	\N	\N	1	Oc1ccc2c(c1)C[C@@H]1c3c2c2OCOc2cc3CCN1	21	12	0.28999999999999998	0	4	2	82.1599999999999966	50.7199999999999989	2.45000000000000018	2.47999999999999998	1.83000000000000007	2.25	3.33000000000000007	2.4700000000000002	-3.56999999999999984	0.0758000000000000063	0.000270000000000000003	Soluble	-3.18999999999999995	0.181999999999999995	0.000645999999999999981	Soluble	-5.00999999999999979	0.00273999999999999981	9.73000000000000001e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.25999999999999979	0	0	0	0	0	0.550000000000000044
1176	265.310000000000002	C17H15NO2	\N	\N	1	c1ccc2c(c1)C[C@@H]1c3c2c2OCOc2cc3CCN1	20	12	0.28999999999999998	0	3	1	80.1299999999999955	30.4899999999999984	2.75999999999999979	2.83000000000000007	2.12000000000000011	2.83000000000000007	3.83999999999999986	2.87999999999999989	-3.70999999999999996	0.0514999999999999972	0.000193999999999999999	Soluble	-3.12999999999999989	0.197000000000000008	0.000743999999999999978	Soluble	-5.58999999999999986	0.000679000000000000025	2.56000000000000005e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-5.91000000000000014	0	0	0	0	0	0.550000000000000044
1177	297.350000000000023	C18H19NO3	\N	\N	1	COc1cc2CCN([C@H]3c2c(c1O)c1cc(O)ccc1C3)C	22	12	0.330000000000000016	1	4	2	89.5100000000000051	52.9299999999999997	2.66999999999999993	2.27000000000000002	2.14999999999999991	2.08000000000000007	2.91000000000000014	2.41999999999999993	-3.45000000000000018	0.104999999999999996	0.000353999999999999985	Soluble	-3.02000000000000002	0.284999999999999976	0.000959	Soluble	-4.48000000000000043	0.00988999999999999949	3.3300000000000003e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	No	-6.5	0	0	0	0	0	0.550000000000000044
1179	248.319999999999993	C15H20O3	\N	\N	1	CC1=C[C@H]2OC(=O)C(=C)[C@@H]2CCC(=C)[C@@H](CC1)O	18	0	0.530000000000000027	0	3	1	71.019999999999996	46.5300000000000011	2.35999999999999988	1.03000000000000003	2.52000000000000002	2.37999999999999989	2.62000000000000011	2.18000000000000016	-2.0299999999999998	2.33000000000000007	0.00936999999999999986	Soluble	-1.60000000000000009	6.28000000000000025	0.0252999999999999996	Very soluble	-2.49000000000000021	0.796000000000000041	0.00321000000000000018	Soluble	High	Yes	No	No	No	No	No	No	-7.08000000000000007	0	0	0	0	0	0.550000000000000044
1180	280.319999999999993	C15H20O5	\N	\N	1	C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@]1(C)[C@@H](O)[C@H]3[C@@H]([C@H]1[C@@H](C2)C)O3	20	0	0.800000000000000044	0	5	2	69.7199999999999989	79.2900000000000063	1.91999999999999993	0.739999999999999991	0.25	0.880000000000000004	0.910000000000000031	0.939999999999999947	-2.04000000000000004	2.5299999999999998	0.00902999999999999983	Soluble	-1.97999999999999998	2.91000000000000014	0.0103999999999999995	Very soluble	-0.719999999999999973	53	0.189000000000000001	Soluble	High	No	Yes	No	No	No	No	No	-7.48000000000000043	0	0	0	0	0	0.550000000000000044
1181	264.319999999999993	C15H20O4	\N	\N	1	CC1=C[C@@H](O)C[C@@]2(C)O[C@@H]2C[C@H]2[C@H](C1)OC(=O)C2=C	19	0	0.67000000000000004	0	4	1	70.5	59.0600000000000023	2.20000000000000018	1.21999999999999997	1.72999999999999998	1.62000000000000011	2.20999999999999996	1.80000000000000004	-2.25	1.5	0.0056600000000000001	Soluble	-2.06000000000000005	2.31999999999999984	0.00876000000000000043	Soluble	-1.97999999999999998	2.75	0.0103999999999999995	Soluble	High	Yes	No	No	No	No	No	No	-7.04999999999999982	0	0	0	0	0	0.550000000000000044
1183	374.379999999999995	C20H22O7	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)CO)/C	27	0	0.450000000000000011	4	7	1	95.0699999999999932	99.1299999999999955	2.83999999999999986	1.17999999999999994	1.53000000000000003	0.839999999999999969	2.31999999999999984	1.73999999999999999	-2.64000000000000012	0.856999999999999984	0.00228999999999999993	Soluble	-2.85999999999999988	0.520000000000000018	0.00138999999999999996	Soluble	-2.37000000000000011	1.62000000000000011	0.00432000000000000006	Soluble	High	No	No	No	No	No	No	No	-7.75	0	0	0	0	0	0.560000000000000053
1184	594.700000000000045	C36H38N2O6	\N	\N	1	COc1cc2CCN([C@@H]3c2cc1Oc1cc(ccc1O)C[C@@H]1N(C)CCc2c1c(Oc1ccc(C3)cc1)c(c(c2)OC)O)C	44	24	0.330000000000000016	2	8	2	177.139999999999986	83.8599999999999994	4.94000000000000039	6.00999999999999979	5.15000000000000036	3.37000000000000011	4.95000000000000018	4.87999999999999989	-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
1186	278.300000000000011	C15H18O5	\N	\N	1	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]([C@]13[C@@H]2[C@]2(C)O[C@@H]2[C@@H]3O1)(C)O	20	0	0.800000000000000044	0	5	1	67.9099999999999966	71.5900000000000034	1.79000000000000004	0.209999999999999992	0.550000000000000044	0.880000000000000004	2.06000000000000005	1.10000000000000009	-1.69999999999999996	5.58000000000000007	0.0200999999999999998	Very soluble	-1.27000000000000002	14.9000000000000004	0.053400000000000003	Very soluble	-1.69999999999999996	5.54000000000000004	0.019900000000000001	Soluble	High	No	Yes	No	No	No	No	No	-7.84999999999999964	0	0	0	0	0	0.550000000000000044
1187	264.319999999999993	C15H20O4	\N	\N	1	CC1=CC[C@@H](O)C(=C[C@H]([C@H]2[C@H](C1)OC(=O)C2=C)O)C	19	0	0.530000000000000027	0	4	2	72.1800000000000068	66.7600000000000051	1.95999999999999996	0.75	1.48999999999999999	1.53000000000000003	1.42999999999999994	1.42999999999999994	-1.94999999999999996	2.95999999999999996	0.0111999999999999999	Very soluble	-1.72999999999999998	4.91000000000000014	0.0185999999999999985	Very soluble	-1.43999999999999995	9.66000000000000014	0.0366000000000000006	Soluble	High	Yes	No	No	No	No	No	No	-7.37999999999999989	0	0	0	0	0	0.550000000000000044
1188	348.389999999999986	C19H24O6	\N	\N	1	CC(=O)O[C@@H]1C=C(C)[C@@H](CC=C(C[C@H]2[C@H]1C(=C)C(=O)O2)C)OC(=O)C	25	0	0.530000000000000027	4	6	0	91.6500000000000057	78.9000000000000057	2.66000000000000014	1.89999999999999991	2.62999999999999989	2.29999999999999982	2.37000000000000011	2.37000000000000011	-2.93000000000000016	0.406000000000000028	0.00117000000000000003	Soluble	-3.18000000000000016	0.23000000000000001	0.000661000000000000021	Soluble	-2.70000000000000018	0.696999999999999953	0.00200000000000000004	Soluble	High	No	No	No	No	No	No	No	-7.08000000000000007	0	0	0	0	0	0.550000000000000044
1189	608.720000000000027	C37H40N2O6	\N	\N	1	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4O)cc1)C	45	24	0.349999999999999978	3	8	1	181.599999999999994	72.8599999999999994	4.82000000000000028	6.33999999999999986	5.45000000000000018	3.54999999999999982	5.5	5.12999999999999989	-7.79999999999999982	9.54000000000000014e-06	1.57000000000000016e-08	Poorly soluble	-7.66000000000000014	1.32999999999999997e-05	2.19000000000000009e-08	Poorly soluble	-10.1199999999999992	4.61000000000000025e-08	7.56999999999999945e-11	Insoluble	High	No	No	No	No	No	No	No	-5.50999999999999979	1	3	0	0	2	0.550000000000000044
1190	314.759999999999991	C15H19ClO5	\N	\N	1	C[C@@H]([C@@H]1C[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@]31O[C@@H]3[C@H]([C@]2(C)O)Cl)O	21	0	0.800000000000000044	1	5	2	74.8499999999999943	79.2900000000000063	2.31999999999999984	0.57999999999999996	0.609999999999999987	1.12999999999999989	1.77000000000000002	1.28000000000000003	-2.08999999999999986	2.54999999999999982	0.00810999999999999915	Soluble	-1.82000000000000006	4.78000000000000025	0.0152	Very soluble	-1.54000000000000004	9.01999999999999957	0.0286000000000000004	Soluble	High	No	Yes	No	No	No	No	No	-7.80999999999999961	0	0	0	0	0	0.550000000000000044
1191	435.300000000000011	C19H24Cl2O7	\N	\N	1	ClC[C@@]1(O)[C@H](O)C[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@H](CC2=C)OC(=O)[C@@](CCl)(O)C	28	0	0.680000000000000049	5	7	3	101.879999999999995	113.290000000000006	2.12000000000000011	0.839999999999999969	0.910000000000000031	1.31000000000000005	2.18999999999999995	1.46999999999999997	-2.74000000000000021	0.796000000000000041	0.00183000000000000003	Soluble	-2.79999999999999982	0.687000000000000055	0.00158000000000000002	Soluble	-2.54999999999999982	1.23999999999999999	0.00284000000000000008	Soluble	High	No	Yes	No	No	No	No	Yes	-8.35999999999999943	0	0	0	0	0	0.550000000000000044
1192	352.360000000000014	C20H18NO5	\N	\N	1	COc1c(OC)ccc2c1c[n+]1C[C@H](O)c3c(c1c2)cc1c(c3)OCO1	26	16	0.25	2	5	1	96.0400000000000063	61.0300000000000011	-0.349999999999999978	2.50999999999999979	2.25999999999999979	1.37999999999999989	2.83000000000000007	1.72999999999999998	-3.93000000000000016	0.0415000000000000022	0.000117999999999999995	Soluble	-3.43999999999999995	0.129000000000000004	0.000364999999999999982	Soluble	-5.11000000000000032	0.00273999999999999981	7.78000000000000005e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-6.66999999999999993	0	0	0	0	0	0.550000000000000044
1194	378.420000000000016	C20H26O7	\N	\N	1	OCC1=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](CC(=CCC1)C)OC(=O)C(=C)[C@H](CO)O	27	0	0.5	6	7	3	98.1899999999999977	113.290000000000006	2.33000000000000007	0.25	0.949999999999999956	0.92000000000000004	1.82000000000000006	1.26000000000000001	-1.94999999999999996	4.26999999999999957	0.0112999999999999993	Very soluble	-2.18999999999999995	2.43999999999999995	0.0064599999999999996	Soluble	-1.6399999999999999	8.75	0.023099999999999999	Soluble	High	No	No	No	No	No	No	No	-8.42999999999999972	0	0	0	0	0	0.550000000000000044
1195	278.300000000000011	C15H18O5	\N	\N	1	O=C1O[C@@H]2[C@H](C1=C)CC[C@H]1[C@]3([C@@]2(C)C(=O)C[C@H]3OC1)O	20	0	0.729999999999999982	0	5	1	68.7999999999999972	72.8299999999999983	2.08999999999999986	0.0899999999999999967	0.599999999999999978	0.790000000000000036	1.80000000000000004	1.07000000000000006	-1.62000000000000011	6.63999999999999968	0.0239000000000000011	Very soluble	-1.16999999999999993	18.6000000000000014	0.067000000000000004	Very soluble	-1.98999999999999999	2.85000000000000009	0.0102000000000000007	Soluble	High	No	Yes	No	No	No	No	No	-7.92999999999999972	0	0	0	0	0	0.550000000000000044
1196	367.350000000000023	C20H17NO6	\N	\N	1	CN1CCc2c([C@H]1[C@@H]1OC(=O)c3c1ccc1c3OCO1)cc1c(c2)OCO1	27	12	0.349999999999999978	1	7	0	96.4599999999999937	66.4599999999999937	3.18999999999999995	2.60999999999999988	1.56000000000000005	2.18000000000000016	2.89999999999999991	2.49000000000000021	-4.01999999999999957	0.0347000000000000017	9.45000000000000066e-05	Moderately soluble	-3.66000000000000014	0.0812999999999999973	0.000221000000000000005	Soluble	-4.63999999999999968	0.00839999999999999948	2.2900000000000001e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-6.69000000000000039	0	0	0	0	0	0.550000000000000044
1197	327.370000000000005	C19H21NO4	\N	\N	1	COc1cc2c(cc1O)C[C@H]1c3c2c(OC)c(O)cc3CCN1C	24	12	0.369999999999999996	2	5	2	96	62.1599999999999966	2.93999999999999995	2.7200000000000002	2.16000000000000014	1.75	2.95000000000000018	2.50999999999999979	-3.81999999999999984	0.0493999999999999995	0.000151000000000000011	Soluble	-3.68000000000000016	0.0685000000000000053	0.000209000000000000012	Soluble	-4.58999999999999986	0.00841000000000000081	2.57000000000000013e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.37000000000000011	0	0	0	0	0	0.550000000000000044
1198	327.370000000000005	C19H21NO4	\N	\N	1	COc1cc2C[C@@H]3N(C)CCc4c3c(c2cc1O)c(O)c(c4)OC	24	12	0.369999999999999996	2	5	2	96	62.1599999999999966	3.06999999999999984	2.24000000000000021	2.16000000000000014	1.75	2.95000000000000018	2.43999999999999995	-3.52000000000000002	0.0990999999999999936	0.000302999999999999992	Soluble	-3.18000000000000016	0.215999999999999998	0.000658999999999999972	Soluble	-4.58999999999999986	0.00841000000000000081	2.57000000000000013e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.70999999999999996	0	0	0	0	0	0.550000000000000044
1199	325.360000000000014	C19H19NO4	\N	\N	1	COc1ccc2c(c1O)c1c3OCOc3cc3c1[C@H](C2)N(C)CC3	24	12	0.369999999999999996	1	5	1	93.5499999999999972	51.1599999999999966	3.16999999999999993	2.91999999999999993	2.18000000000000016	2.16000000000000014	3.27000000000000002	2.74000000000000021	-4	0.0325000000000000011	9.97999999999999999e-05	Moderately soluble	-3.66000000000000014	0.0719000000000000056	0.000221000000000000005	Soluble	-4.79000000000000004	0.00525999999999999992	1.62000000000000007e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-6.20999999999999996	0	0	0	0	0	0.550000000000000044
1201	636.730000000000018	C38H40N2O7	\N	\N	1	COc1c(OC)cc2c3c1Oc1cc4C(=NCCc4cc1OC)Cc1ccc(Oc4c(c(C[C@H]3N(CC2)C)ccc4OC)OC)cc1	47	24	0.340000000000000024	5	9	0	187.960000000000008	80.2099999999999937	4.88999999999999968	6.08999999999999986	5.90000000000000036	3.14999999999999991	7.25	5.45999999999999996	-7.66999999999999993	1.34999999999999995e-05	2.12999999999999988e-08	Poorly soluble	-7.55999999999999961	1.76999999999999999e-05	2.78000000000000008e-08	Poorly soluble	-11.4499999999999993	2.24000000000000012e-09	3.51999999999999995e-12	Insoluble	High	No	No	No	No	No	No	No	-5.86000000000000032	1	4	0	1	2	0.550000000000000044
1202	371.430000000000007	C21H25NO5	\N	\N	1	COc1cc2CCN3[C@H](c2c(c1OC)O)Cc1c(C3)c(OC)c(cc1)OC	27	12	0.429999999999999993	4	6	1	106.010000000000005	60.3900000000000006	3.64000000000000012	2.87999999999999989	2.2200000000000002	1.65999999999999992	3.27000000000000002	2.72999999999999998	-4.01999999999999957	0.035299999999999998	9.50000000000000052e-05	Moderately soluble	-3.81000000000000005	0.0577999999999999972	0.000155999999999999997	Soluble	-5.28000000000000025	0.0019400000000000001	5.22e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.51999999999999957	0	0	0	0	0	0.550000000000000044
1203	367.350000000000023	C20H17NO6	\N	\N	1	CN1CCc2c([C@@H]1[C@@H]1OC(=O)c3c1ccc1c3OCO1)cc1c(c2)OCO1	27	12	0.349999999999999978	1	7	0	96.4599999999999937	66.4599999999999937	3.06000000000000005	2.60999999999999988	1.56000000000000005	2.18000000000000016	2.89999999999999991	2.45999999999999996	-4.01999999999999957	0.0347000000000000017	9.45000000000000066e-05	Moderately soluble	-3.66000000000000014	0.0812999999999999973	0.000221000000000000005	Soluble	-4.63999999999999968	0.00839999999999999948	2.2900000000000001e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-6.69000000000000039	0	0	0	0	0	0.550000000000000044
1204	320.339999999999975	C17H20O6	\N	\N	1	CC(=O)OC[C@H]1CC[C@@H]2[C@H]([C@]3([C@@]1(O)C=CC3=O)C)OC(=O)C2=C	23	0	0.589999999999999969	3	6	1	80.25	89.9000000000000057	1.64999999999999991	0.119999999999999996	0.930000000000000049	1.10000000000000009	1.87000000000000011	1.12999999999999989	-1.69999999999999996	6.33999999999999986	0.0198000000000000016	Very soluble	-1.56000000000000005	8.75	0.0273000000000000013	Very soluble	-2.20000000000000018	2.00999999999999979	0.00627999999999999999	Soluble	High	No	No	No	No	No	No	No	-8.16999999999999993	0	0	0	0	0	0.550000000000000044
1205	306.350000000000023	C17H22O5	\N	\N	1	CC(=O)O[C@H]1C[C@H](C)[C@H]2[C@@]([C@H]3[C@@H]1C(=C)C(=O)O3)(C)C(=O)CC2	22	0	0.709999999999999964	2	5	0	79.5300000000000011	69.6700000000000017	2.24000000000000021	0.800000000000000044	2.04000000000000004	2	2.47999999999999998	1.90999999999999992	-2.10999999999999988	2.37000000000000011	0.00774000000000000035	Soluble	-1.84000000000000008	4.37999999999999989	0.0143000000000000002	Very soluble	-2.79000000000000004	0.503000000000000003	0.00163999999999999996	Soluble	High	Yes	No	No	No	No	No	No	-7.59999999999999964	0	0	0	0	0	0.550000000000000044
1207	234.330000000000013	C15H22O2	\N	\N	1	O=C1OCC2=C1CC[C@@H]1[C@]2(C)CCCC1(C)C	17	0	0.800000000000000044	0	2	0	68.1700000000000017	26.3000000000000007	2.70999999999999996	3.79999999999999982	3.4700000000000002	3.43999999999999995	3.77000000000000002	3.43999999999999995	-3.68999999999999995	0.0481999999999999998	0.000205999999999999993	Soluble	-4.04999999999999982	0.0210000000000000013	8.98000000000000008e-05	Moderately soluble	-3.7200000000000002	0.044400000000000002	0.00019000000000000001	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.03000000000000025	0	0	0	0	0	0.550000000000000044
1208	341.399999999999977	C20H23NO4	\N	\N	1	COc1cc2C[C@@H]3N(Cc2cc1OC)CCc1c3c(O)c(cc1)OC	25	12	0.400000000000000022	3	5	1	99.519999999999996	51.1599999999999966	3.41999999999999993	2.91000000000000014	2.2200000000000002	1.97999999999999998	3.20999999999999996	2.75	-3.95000000000000018	0.0386000000000000024	0.000112999999999999996	Soluble	-3.64999999999999991	0.0772999999999999937	0.000225999999999999991	Soluble	-5.17999999999999972	0.00227999999999999991	6.66999999999999967e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.32000000000000028	0	0	0	0	0	0.550000000000000044
1209	248.319999999999993	C15H20O3	\N	\N	1	C=C1C(=O)O[C@H]2[C@@H]1C[C@]1(C)C(=O)CC[C@H]1[C@H](C2)C	18	0	0.729999999999999982	0	3	0	68.6299999999999955	43.3699999999999974	2.25999999999999979	2.10000000000000009	2.5	2.4700000000000002	2.93999999999999995	2.45000000000000018	-2.70000000000000018	0.492999999999999994	0.00197999999999999999	Soluble	-2.64000000000000012	0.566999999999999948	0.00227999999999999991	Soluble	-2.95999999999999996	0.274000000000000021	0.00110000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-6.32000000000000028	0	0	0	0	0	0.550000000000000044
1210	278.300000000000011	C15H18O5	\N	\N	1	O=C1O[C@@H]2[C@H]([C@H]1[C@]1(O)[C@H]3O[C@H]3[C@@]3([C@@]1(C2)C)CO3)C(=C)C	20	0	0.800000000000000044	1	5	1	67.6099999999999994	71.5900000000000034	2.31000000000000005	0.469999999999999973	0.409999999999999976	0.880000000000000004	2.04000000000000004	1.21999999999999997	-1.80000000000000004	4.45999999999999996	0.0160000000000000003	Very soluble	-1.54000000000000004	7.98000000000000043	0.0286999999999999998	Very soluble	-1.47999999999999998	9.16999999999999993	0.0330000000000000016	Soluble	High	No	Yes	No	No	No	No	No	-7.66000000000000014	0	0	0	0	0	0.550000000000000044
1211	341.360000000000014	C19H19NO5	\N	\N	1	COc1cc2c(cc1O)C[C@H]1c3c2c2OCOc2c(c3CCN1)OC	25	12	0.369999999999999996	2	6	2	95.1400000000000006	69.1800000000000068	3.10999999999999988	2.41999999999999993	1.84000000000000008	1.6100000000000001	3.37000000000000011	2.4700000000000002	-3.70000000000000018	0.0675000000000000044	0.000197999999999999988	Soluble	-3.52000000000000002	0.103999999999999995	0.000304999999999999987	Soluble	-5.24000000000000021	0.00197999999999999999	5.78999999999999962e-06	Moderately soluble	High	Yes	Yes	Yes	No	Yes	Yes	Yes	-6.66000000000000014	0	0	0	0	0	0.550000000000000044
1212	264.319999999999993	C15H20O4	\N	\N	1	O=C1O[C@@H]2[C@H](C1=C)CC[C@@H]([C@]1([C@@]2(C)C(=O)CC1)O)C	19	0	0.729999999999999982	0	4	1	69.8299999999999983	63.6000000000000014	1.8899999999999999	0.82999999999999996	1.6100000000000001	1.62000000000000011	2.43000000000000016	1.67999999999999994	-2	2.62999999999999989	0.0099600000000000001	Soluble	-1.75	4.71999999999999975	0.0178999999999999992	Very soluble	-2.60000000000000009	0.665000000000000036	0.0025200000000000001	Soluble	High	Yes	No	No	No	No	No	No	-7.32000000000000028	0	0	0	0	0	0.550000000000000044
1216	346.370000000000005	C19H22O6	\N	\N	1	OCC(=C)C(=O)O[C@H]1CC(=C)[C@H]2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=C)[C@H](C2)O	25	0	0.469999999999999973	4	6	2	90.0999999999999943	93.0600000000000023	2.25	0.640000000000000013	1.06000000000000005	1.48999999999999999	2.06000000000000005	1.5	-2.12999999999999989	2.58999999999999986	0.00747000000000000008	Soluble	-2.16999999999999993	2.33999999999999986	0.00676999999999999998	Soluble	-1.96999999999999997	3.75	0.0108000000000000006	Soluble	High	No	No	No	No	No	No	No	-7.95999999999999996	0	0	0	0	0	0.550000000000000044
1217	248.319999999999993	C15H20O3	\N	\N	1	C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1CCC3=O)C)OC(=O)C2=C	18	0	0.729999999999999982	0	3	0	68.6299999999999955	43.3699999999999974	2.08999999999999986	1.3899999999999999	2.5	2.4700000000000002	2.93999999999999995	2.2799999999999998	-2.25999999999999979	1.37999999999999989	0.00555999999999999984	Soluble	-1.89999999999999991	3.08999999999999986	0.0125000000000000007	Very soluble	-2.95999999999999996	0.274000000000000021	0.00110000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-6.83000000000000007	0	0	0	0	0	0.550000000000000044
1218	230.300000000000011	C15H18O2	\N	\N	1	C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1[C@@H]2C(=C)CC1	17	0	0.530000000000000027	0	2	0	67.7399999999999949	26.3000000000000007	2.66999999999999993	2.62000000000000011	3.02000000000000002	3.25999999999999979	3.41000000000000014	3	-2.91999999999999993	0.278000000000000025	0.00120999999999999992	Soluble	-2.81999999999999984	0.346999999999999975	0.00151000000000000006	Soluble	-3.08000000000000007	0.191000000000000003	0.000830000000000000009	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.83999999999999986	0	0	0	0	0	0.550000000000000044
1219	344.360000000000014	C19H20O6	\N	\N	1	CC1=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](CC2=C[C@@H](C1)OC2=O)OC(=O)C(=C)C	25	0	0.419999999999999984	3	6	0	89.0600000000000023	78.9000000000000057	2.72999999999999998	2.39999999999999991	2.16000000000000014	2.2200000000000002	2.43999999999999995	2.39000000000000012	-3.29000000000000004	0.176999999999999991	0.000514000000000000025	Soluble	-3.70000000000000018	0.0689000000000000029	0.00020000000000000001	Soluble	-2.58999999999999986	0.893000000000000016	0.00258999999999999985	Soluble	High	No	No	No	No	Yes	No	No	-6.70000000000000018	0	0	0	0	0	0.550000000000000044
1221	466.610000000000014	C28H38N2O4	\N	\N	1	CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1C[C@H]1NCCc2c1cc(OC)c(c2)O)cc(c(c3)OC)OC	34	12	0.569999999999999951	6	6	2	142.580000000000013	63.1899999999999977	4.66999999999999993	4.41000000000000014	3.22999999999999998	2.83999999999999986	4.42999999999999972	3.91999999999999993	-5.37999999999999989	0.00195999999999999994	4.1999999999999996e-06	Moderately soluble	-5.45000000000000018	0.00163999999999999996	3.50999999999999985e-06	Moderately soluble	-7.00999999999999979	4.5399999999999999e-05	9.73000000000000044e-08	Poorly soluble	High	Yes	Yes	No	No	No	No	No	-6.01999999999999957	0	2	0	0	0	0.550000000000000044
1222	606.710000000000036	C37H38N2O6	\N	\N	1	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C	45	24	0.349999999999999978	2	8	0	179.150000000000006	61.8599999999999994	5.12999999999999989	6.54000000000000004	5.45999999999999996	3.95999999999999996	5.70999999999999996	5.36000000000000032	-7.98000000000000043	6.28999999999999992e-06	1.04000000000000005e-08	Poorly soluble	-7.63999999999999968	1.39999999999999998e-05	2.30999999999999984e-08	Poorly soluble	-10.3200000000000003	2.87999999999999998e-08	4.73999999999999992e-11	Insoluble	High	No	No	No	No	No	No	No	-5.36000000000000032	1	3	0	0	3	0.550000000000000044
1223	260.29000000000002	C15H16O4	\N	\N	1	OCC1=CC(=O)C2=C(C)CC[C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C	19	0	0.469999999999999973	1	4	1	69.0999999999999943	63.6000000000000014	1.92999999999999994	0.260000000000000009	1.31000000000000005	1.43999999999999995	2.29000000000000004	1.44999999999999996	-1.55000000000000004	7.30999999999999961	0.0281	Very soluble	-1.15999999999999992	18.1000000000000014	0.0696999999999999981	Very soluble	-2.35999999999999988	1.12999999999999989	0.0043499999999999997	Soluble	High	Yes	No	No	No	No	No	No	-7.70000000000000018	0	0	0	0	0	0.550000000000000044
1224	369.370000000000005	C20H19NO6	\N	\N	1	COc1cc2CCN([C@]3(c2cc1O)C(=O)c1c([C@@H]3O)c2OCOc2cc1)C	27	12	0.349999999999999978	1	7	2	98.8799999999999955	88.4599999999999937	2.72999999999999998	1.66999999999999993	0.930000000000000049	0.689999999999999947	2.25999999999999979	1.65999999999999992	-3.45000000000000018	0.133000000000000007	0.000358999999999999998	Soluble	-3.14000000000000012	0.266000000000000014	0.000720999999999999961	Soluble	-4.33999999999999986	0.0166999999999999996	4.53000000000000033e-05	Moderately soluble	High	No	Yes	No	No	Yes	Yes	Yes	-7.37000000000000011	0	0	0	0	0	0.550000000000000044
1225	246.300000000000011	C15H18O3	\N	\N	1	C[C@@H]1C(=O)O[C@H]2[C@H]1CCC(=C1[C@@H]2C(=CC1=O)C)C	18	0	0.599999999999999978	0	3	0	68.4099999999999966	43.3699999999999974	2.35000000000000009	1.62000000000000011	2.41999999999999993	2.37999999999999989	2.64000000000000012	2.2799999999999998	-2.39000000000000012	1.01000000000000001	0.00410000000000000035	Soluble	-2.14000000000000012	1.77000000000000002	0.00719000000000000021	Soluble	-2.68999999999999995	0.501000000000000001	0.00203000000000000012	Soluble	High	Yes	No	No	No	No	No	No	-6.65000000000000036	0	0	0	0	0	0.550000000000000044
1226	362.420000000000016	C20H26O6	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1CC(=CC[C@H](C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O)C)/CO	26	0	0.5	4	6	2	97.019999999999996	93.0600000000000023	2.37999999999999989	1.27000000000000002	1.97999999999999998	1.71999999999999997	2.12999999999999989	1.89999999999999991	-2.62000000000000011	0.862999999999999989	0.00238000000000000017	Soluble	-2.81999999999999984	0.544000000000000039	0.00150000000000000003	Soluble	-1.95999999999999996	3.99000000000000021	0.0109999999999999994	Soluble	High	No	No	No	No	No	No	No	-7.61000000000000032	0	0	0	0	0	0.550000000000000044
1228	292.279999999999973	C15H16O6	\N	\N	1	O=C1O[C@@H]2[C@@H]([C@H]1C)[C@@H]1OC(=O)C(=C1)[C@@H]1[C@H]([C@H]3[C@@](C2)(C)O3)O1	21	0	0.729999999999999982	0	6	0	67.9500000000000028	77.6599999999999966	2.04999999999999982	0.359999999999999987	0.340000000000000024	0.790000000000000036	1.34000000000000008	0.979999999999999982	-1.87999999999999989	3.85999999999999988	0.0131999999999999999	Very soluble	-1.56000000000000005	8.13000000000000078	0.0277999999999999983	Very soluble	-1.10000000000000009	23	0.0785000000000000003	Soluble	High	No	Yes	No	No	No	No	No	-7.83000000000000007	0	0	0	0	0	0.550000000000000044
1229	234.330000000000013	C15H22O2	\N	\N	1	O=C1OCC2=CC[C@@H]3[C@]([C@@H]12)(C)CCCC3(C)C	17	0	0.800000000000000044	0	2	0	68.1700000000000017	26.3000000000000007	2.72999999999999998	3.56000000000000005	3.31999999999999984	3.43999999999999995	3.37000000000000011	3.29000000000000004	-3.54000000000000004	0.0682999999999999996	0.000291000000000000026	Soluble	-3.79999999999999982	0.0372999999999999998	0.000158999999999999989	Soluble	-3.27000000000000002	0.125	0.000533000000000000054	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.20000000000000018	0	0	0	0	0	0.550000000000000044
1230	434.439999999999998	C22H26O9	\N	\N	1	OCC1=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)/C(=C\\COC(=O)C)/C)C[C@@]2([C@@H]([C@@H]3[C@H]1O3)O2)C	31	0	0.589999999999999969	7	9	1	105.209999999999994	124.189999999999998	2.91000000000000014	-0.0200000000000000004	0.75	0.609999999999999987	2.25	1.30000000000000004	-2.06000000000000005	3.79000000000000004	0.00872999999999999991	Soluble	-2.14000000000000012	3.16000000000000014	0.00727000000000000042	Soluble	-1.81000000000000005	6.74000000000000021	0.0154999999999999999	Soluble	High	No	No	No	No	No	No	No	-8.96000000000000085	0	0	0	0	0	0.550000000000000044
1231	374.379999999999995	C20H22O7	\N	\N	1	CC(=CC(=O)O[C@H]1CC2=C[C@H](OC2=O)C[C@@]2([C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)O2)C)C	27	0	0.550000000000000044	3	7	0	93.3499999999999943	91.4300000000000068	2.41000000000000014	1.05000000000000004	1.77000000000000002	1.72999999999999998	2.5299999999999998	1.89999999999999991	-2.62000000000000011	0.888000000000000012	0.00237000000000000014	Soluble	-2.56000000000000005	1.03000000000000003	0.00274999999999999984	Soluble	-2.33999999999999986	1.72999999999999998	0.00461000000000000038	Soluble	High	No	No	No	No	No	No	No	-7.83999999999999986	0	0	0	0	0	0.550000000000000044
1232	360.360000000000014	C19H20O7	\N	\N	1	O=C(C(=C)C)O[C@H]1CC2=C[C@H](OC2=O)C[C@@]2([C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)O2)C	26	0	0.530000000000000027	3	7	0	88.5499999999999972	91.4300000000000068	2.20999999999999996	0.689999999999999947	1.37999999999999989	1.5	2.31000000000000005	1.62000000000000011	-2.31000000000000005	1.76000000000000001	0.00489000000000000025	Soluble	-2.18999999999999995	2.33999999999999986	0.0064999999999999997	Soluble	-2.31000000000000005	1.73999999999999999	0.00483999999999999968	Soluble	High	No	No	No	No	No	No	No	-8.00999999999999979	0	0	0	0	0	0.550000000000000044
1233	244.289999999999992	C15H16O3	\N	\N	1	O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1[C@](C2)(C)C=CC(=O)C1=C	18	0	0.469999999999999973	0	3	0	67.6800000000000068	43.3699999999999974	2.16000000000000014	2.4700000000000002	2.20000000000000018	2.29000000000000004	2.79999999999999982	2.37999999999999989	-2.91000000000000014	0.299999999999999989	0.00122999999999999997	Soluble	-3.0299999999999998	0.231000000000000011	0.000943999999999999961	Soluble	-2.7200000000000002	0.465000000000000024	0.00191000000000000002	Soluble	High	Yes	No	No	No	No	No	No	-6.04000000000000004	0	0	0	0	0	0.550000000000000044
1234	464.45999999999998	C23H28O10	\N	\N	1	COC(=O)C1=CCC[C@@]2(C)O[C@@H]2[C@@H]2[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)[C@]1(C)O[C@@H]1C)C(=C)C(=O)O2	33	0	0.650000000000000022	7	10	0	110.659999999999997	130.259999999999991	2.70000000000000018	1.37000000000000011	1.15999999999999992	0.859999999999999987	2.45000000000000018	1.70999999999999996	-3.12000000000000011	0.35199999999999998	0.000756999999999999969	Soluble	-3.70999999999999996	0.0908999999999999947	0.000195999999999999994	Soluble	-2.45999999999999996	1.59000000000000008	0.00342999999999999989	Soluble	High	No	No	No	No	No	No	No	-8.16000000000000014	0	0	0	0	0	0.550000000000000044
1236	348.389999999999986	C19H24O6	\N	\N	1	CC1=C[C@H]2OC(=O)[C@]3([C@@H]2[C@H](C[C@]2(OC1=CC2=O)C)O[C@]3(O)C(C)C)C	25	0	0.680000000000000049	1	6	1	88.6800000000000068	82.0600000000000023	2.89999999999999991	1.53000000000000003	1.87000000000000011	1.25	2.29000000000000004	1.96999999999999997	-2.89999999999999991	0.441000000000000003	0.00126000000000000005	Soluble	-2.85999999999999988	0.478999999999999981	0.00136999999999999991	Soluble	-2.62999999999999989	0.823999999999999955	0.00237000000000000014	Soluble	High	No	Yes	No	No	No	No	No	-7.33999999999999986	0	0	0	0	0	0.560000000000000053
1237	232.319999999999993	C15H20O2	\N	\N	1	O=C1O[C@@H]2[C@H](C1=C)C[C@]1(C(=C2)CCC[C@@H]1C)C	17	0	0.67000000000000004	0	2	0	67.9500000000000028	26.3000000000000007	2.62000000000000011	3.43000000000000016	3.24000000000000021	3.35000000000000009	3.25	3.18000000000000016	-3.43999999999999995	0.0840999999999999942	0.000362000000000000017	Soluble	-3.66000000000000014	0.0505000000000000032	0.000216999999999999989	Soluble	-3.04999999999999982	0.205999999999999989	0.000885000000000000044	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.28000000000000025	0	0	0	0	0	0.550000000000000044
1239	390.430000000000007	C21H26O7	\N	\N	1	CC(=O)O[C@H]1C[C@H]2O[C@]2(C)C[C@H]([C@@H]2[C@@H](C=C1C)OC(=O)C2=C)OC(=O)C(=C)C	28	0	0.569999999999999951	5	7	0	100.280000000000001	91.4300000000000068	3.08000000000000007	2.2200000000000002	2.39999999999999991	1.94999999999999996	2.87000000000000011	2.50999999999999979	-3.33000000000000007	0.182999999999999996	0.000469000000000000016	Soluble	-3.77000000000000002	0.0656000000000000055	0.000167999999999999991	Soluble	-2.85000000000000009	0.546000000000000041	0.00139999999999999999	Soluble	High	No	No	No	No	No	No	No	-7.11000000000000032	0	0	0	0	0	0.550000000000000044
1240	416.45999999999998	C23H28O7	\N	\N	1	CC1=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)C[C@@]2([C@@H](C[C@@H]1OC(=O)C(=C)C)O2)C	30	0	0.520000000000000018	6	7	0	109.420000000000002	91.4300000000000068	3.66999999999999993	3.18999999999999995	2.95999999999999996	2.31000000000000005	3.52000000000000002	3.12999999999999989	-4.04000000000000004	0.0383999999999999966	9.21000000000000025e-05	Moderately soluble	-4.78000000000000025	0.00689000000000000029	1.65000000000000013e-05	Moderately soluble	-3.2799999999999998	0.220000000000000001	0.000527000000000000016	Soluble	High	No	No	No	No	Yes	No	No	-6.58000000000000007	0	0	0	0	0	0.550000000000000044
1241	364.430000000000007	C20H28O6	\N	\N	1	OCCC[C@@H](C1=C(CO)C[C@@H]2[C@H]([C@@H]1OC(=O)/C(=C\\C)/C)C(=C)C(=O)O2)C	26	0	0.599999999999999978	8	6	2	97.5	93.0600000000000023	3.10999999999999988	1.26000000000000001	2.06000000000000005	1.80000000000000004	3.25	2.29999999999999982	-2.37000000000000011	1.57000000000000006	0.0043099999999999996	Soluble	-2.81000000000000005	0.561000000000000054	0.00153999999999999992	Soluble	-2.79999999999999982	0.574999999999999956	0.00158000000000000002	Soluble	High	No	Yes	No	No	No	No	No	-7.62999999999999989	0	0	0	0	0	0.550000000000000044
1242	594.700000000000045	C36H38N2O6	\N	\N	1	COc1cc2CCN[C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1O)OC	44	24	0.330000000000000016	3	8	2	176.699999999999989	81.6500000000000057	4.66000000000000014	5.87000000000000011	5.11000000000000032	3.37000000000000011	5.54000000000000004	4.91000000000000014	-7.42999999999999972	2.20999999999999985e-05	3.71000000000000013e-08	Poorly soluble	-7.36000000000000032	2.61000000000000008e-05	4.39000000000000027e-08	Poorly soluble	-10.4700000000000006	2.01999999999999989e-08	3.39999999999999989e-11	Insoluble	High	No	No	No	No	No	No	No	-5.75999999999999979	1	3	0	0	1	0.550000000000000044
1244	454.899999999999977	C22H27ClO8	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1C[C@](O)(CCl)[C@H]2[C@]([C@@H]3[C@@H]1C(=C)C(=O)O3)(O)C(=C[C@H]2OC(=O)C)C)/C	31	0	0.589999999999999969	6	8	2	111.150000000000006	119.359999999999999	2.70999999999999996	1.41999999999999993	1.57000000000000006	1.60000000000000009	2.41000000000000014	1.93999999999999995	-3.16000000000000014	0.315000000000000002	0.00069300000000000004	Soluble	-3.5299999999999998	0.134000000000000008	0.000293999999999999991	Soluble	-2.56000000000000005	1.26000000000000001	0.00276999999999999989	Soluble	High	No	Yes	No	No	No	No	Yes	-8.07000000000000028	0	0	0	0	0	0.550000000000000044
1245	624.769999999999982	C38H44N2O6	\N	\N	1	COc1cc2c(cc1OC)CCN([C@@H]2Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1N(C)CCc2c1cc(OC)c(c2)OC)C	46	24	0.369999999999999996	10	8	1	188.02000000000001	72.8599999999999994	5.42999999999999972	6.70000000000000018	5.34999999999999964	3.45999999999999996	6.63999999999999968	5.51999999999999957	-7.66000000000000014	1.36000000000000002e-05	2.18e-08	Poorly soluble	-8.02999999999999936	5.77999999999999972e-06	9.25000000000000011e-09	Poorly soluble	-10.7400000000000002	1.11999999999999994e-08	1.79999999999999992e-11	Insoluble	High	No	No	No	No	No	No	No	-5.34999999999999964	1	3	0	0	2	0.550000000000000044
1246	476.610000000000014	C29H36N2O4	\N	\N	1	CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1Cc1nccc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC	35	16	0.479999999999999982	7	6	0	143.169999999999987	53.0499999999999972	4.45999999999999996	5.41999999999999993	4.75	2.83999999999999986	5.45000000000000018	4.58000000000000007	-6.08999999999999986	0.000391000000000000017	8.20999999999999953e-07	Poorly soluble	-6.29000000000000004	0.000244999999999999992	5.13000000000000001e-07	Poorly soluble	-8.35999999999999943	2.0999999999999998e-06	4.41000000000000028e-09	Poorly soluble	High	Yes	Yes	No	No	No	No	No	-5.36000000000000032	0	2	0	0	1	0.550000000000000044
1247	480.639999999999986	C29H40N2O4	\N	\N	1	CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC	35	12	0.589999999999999969	7	6	1	147.050000000000011	52.1899999999999977	4.88999999999999968	4.74000000000000021	3.5299999999999998	3.04000000000000004	4.98000000000000043	4.24000000000000021	-5.59999999999999964	0.00120999999999999992	2.52000000000000001e-06	Moderately soluble	-5.57000000000000028	0.00130999999999999997	2.71999999999999979e-06	Moderately soluble	-7.70000000000000018	9.58999999999999966e-06	2.00000000000000004e-08	Poorly soluble	High	Yes	Yes	No	No	No	No	No	-5.87000000000000011	0	3	0	0	0	0.550000000000000044
1248	285.339999999999975	C17H19NO3	\N	\N	1	COc1cc2c(cc1O)CCN1[C@@]32C[C@@H](O)C=CC3=CC1	21	6	0.409999999999999976	1	4	2	83.9099999999999966	52.9299999999999997	2.64000000000000012	1.28000000000000003	1.22999999999999998	1.65999999999999992	1.64999999999999991	1.68999999999999995	-2.56000000000000005	0.78400000000000003	0.00274999999999999984	Soluble	-1.98999999999999999	2.91000000000000014	0.0102000000000000007	Very soluble	-2.52000000000000002	0.867999999999999994	0.00304000000000000017	Soluble	High	Yes	Yes	No	No	No	Yes	No	-7.12999999999999989	0	0	0	0	0	0.550000000000000044
1249	313.389999999999986	C19H23NO3	\N	\N	1	CO[C@H]1C=CC2=CCN3[C@]2(C1)c1cc(OC)c(cc1CC3)OC	23	6	0.469999999999999973	3	4	0	93.1099999999999994	30.9299999999999997	3.2799999999999998	2.14000000000000012	2.18000000000000016	2.12999999999999989	2.70000000000000018	2.49000000000000021	-3.12999999999999989	0.234000000000000014	0.000747999999999999967	Soluble	-2.41999999999999993	1.18999999999999995	0.00378999999999999997	Soluble	-3.91000000000000014	0.0386000000000000024	0.000123000000000000008	Soluble	High	Yes	No	No	No	No	Yes	No	-6.69000000000000039	0	0	0	0	0	0.550000000000000044
1251	428.860000000000014	C20H25ClO8	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1C[C@](O)(CCl)[C@H]2[C@]([C@@H]3[C@@H]1C(=C)C(=O)O3)(O)[C@]1([C@@H]([C@H]2O)O1)C)/C	29	0	0.699999999999999956	4	8	3	100.900000000000006	125.819999999999993	3	0.239999999999999991	0.220000000000000001	0.520000000000000018	1.75	1.14999999999999991	-2.39000000000000012	1.76000000000000001	0.00410999999999999994	Soluble	-2.43999999999999995	1.55000000000000004	0.00360999999999999993	Soluble	-1.66999999999999993	9.13000000000000078	0.0212999999999999995	Soluble	High	No	Yes	No	No	No	No	Yes	-8.75	0	0	0	0	0	0.550000000000000044
1252	404.449999999999989	C22H28O7	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1C=C(C)[C@@H](O)C[C@@H](C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)OC(=O)C)/C	29	0	0.5	5	7	1	106.760000000000005	99.1299999999999955	2.31999999999999984	1.15999999999999992	2.54999999999999982	2.08999999999999986	2.37000000000000011	2.10000000000000009	-2.75	0.721999999999999975	0.0017799999999999999	Soluble	-2.83999999999999986	0.588999999999999968	0.00145999999999999993	Soluble	-2.33000000000000007	1.89999999999999991	0.00470999999999999978	Soluble	High	No	No	No	No	No	No	No	-7.94000000000000039	0	0	0	0	0	0.550000000000000044
1253	420.449999999999989	C22H28O8	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1C=C(C)[C@@H](O)C[C@@H](C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)CO)OC(=O)C)/C	30	0	0.5	6	8	2	107.920000000000002	119.359999999999999	1.59000000000000008	-0.0899999999999999967	1.52000000000000002	1.30000000000000004	1.77000000000000002	1.21999999999999997	-1.98999999999999999	4.25999999999999979	0.0100999999999999996	Very soluble	-1.95999999999999996	4.55999999999999961	0.0109	Very soluble	-1.76000000000000001	7.37000000000000011	0.0175000000000000017	Soluble	High	No	No	No	No	No	No	No	-8.92999999999999972	0	0	0	0	0	0.550000000000000044
1254	420.449999999999989	C22H28O8	\N	\N	1	CC(=O)O[C@H]1C[C@H](O)C(=C[C@H]([C@@H]2[C@@H](C=C1C)OC(=O)C2=C)OC(=O)[C@]1(C)O[C@@H]1C)C	30	0	0.589999999999999969	5	8	1	106.239999999999995	111.659999999999997	2.7200000000000002	0.280000000000000027	1.76000000000000001	1.37999999999999989	2.20000000000000018	1.66999999999999993	-2.29000000000000004	2.14000000000000012	0.00508999999999999991	Soluble	-2.18999999999999995	2.74000000000000021	0.00651000000000000016	Soluble	-2.27000000000000002	2.24000000000000021	0.00532999999999999967	Soluble	High	No	No	No	No	No	No	No	-8.66999999999999993	0	0	0	0	0	0.550000000000000044
1255	334.350000000000023	C20H16NO4	\N	\N	1	COc1ccc2c(c1O)c[n+](c1c2ccc2c1cc1c(c2)OCO1)C	25	18	0.149999999999999994	1	4	1	97.1299999999999955	51.7999999999999972	0.100000000000000006	4.25	3.41000000000000014	2.31000000000000005	3.54999999999999982	2.7200000000000002	-5.05999999999999961	0.00292999999999999988	8.77000000000000074e-06	Moderately soluble	-5.04999999999999982	0.00299000000000000004	8.9299999999999992e-06	Moderately soluble	-5.88999999999999968	0.000427000000000000025	1.28000000000000003e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-5.32000000000000028	0	0	0	0	0	0.550000000000000044
1256	306.350000000000023	C17H22O5	\N	\N	1	CC(=O)O[C@@H]1CC=C(C)C[C@H]([C@@H]2[C@@H](C=C1C)OC(=O)C2=C)O	22	0	0.530000000000000027	2	5	1	81.9099999999999966	72.8299999999999983	2.29000000000000004	1.32000000000000006	2.06000000000000005	1.91999999999999993	1.87999999999999989	1.8899999999999999	-2.43999999999999995	1.1100000000000001	0.00364000000000000001	Soluble	-2.45000000000000018	1.09000000000000008	0.00354000000000000018	Soluble	-2.06999999999999984	2.60000000000000009	0.0084700000000000001	Soluble	High	Yes	No	No	No	No	No	No	-7.23000000000000043	0	0	0	0	0	0.550000000000000044
1258	378.420000000000016	C20H26O7	\N	\N	1	OC/C=C(/C(=O)O[C@@H]1CC(=CCC[C@@]2([C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)O2)CO)C)\\C	27	0	0.599999999999999978	5	7	2	96.5100000000000051	105.590000000000003	2.62999999999999989	0.82999999999999996	1.18999999999999995	1	2.2799999999999998	1.59000000000000008	-2.37999999999999989	1.58000000000000007	0.00417999999999999969	Soluble	-2.62999999999999989	0.887000000000000011	0.00234000000000000007	Soluble	-1.92999999999999994	4.41000000000000014	0.0115999999999999992	Soluble	High	No	Yes	No	No	No	No	No	-8.01999999999999957	0	0	0	0	0	0.550000000000000044
1259	376.399999999999977	C20H24O7	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1C[C@]2(CO2)[C@H]2[C@]([C@@H]3[C@@H]1C(=C)C(=O)O3)(O)C(=C[C@H]2O)C)/C	27	0	0.599999999999999978	3	7	2	94.4300000000000068	105.590000000000003	2.70999999999999996	0.190000000000000002	0.800000000000000044	1	1.84000000000000008	1.31000000000000005	-2.10000000000000009	3.02000000000000002	0.00803000000000000068	Soluble	-1.96999999999999997	4.07000000000000028	0.0108000000000000006	Very soluble	-1.54000000000000004	10.8000000000000007	0.0286000000000000004	Soluble	High	No	Yes	No	No	No	No	No	-8.46000000000000085	0	0	0	0	0	0.550000000000000044
1260	418.439999999999998	C22H26O8	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1C[C@]2(CO2)[C@H]2[C@]([C@@H]3[C@@H]1C(=C)C(=O)O3)(O)C(=C[C@H]2OC(=O)C)C)/C	30	0	0.589999999999999969	5	8	1	104.170000000000002	111.659999999999997	2.93999999999999995	0.760000000000000009	1.37000000000000011	1.37999999999999989	2.33999999999999986	1.76000000000000001	-2.58000000000000007	1.09000000000000008	0.00260999999999999991	Soluble	-2.68000000000000016	0.864999999999999991	0.00206999999999999979	Soluble	-2.16000000000000014	2.89999999999999991	0.0069300000000000004	Soluble	High	No	No	No	No	No	No	No	-8.3100000000000005	0	0	0	0	0	0.550000000000000044
1261	404.449999999999989	C22H28O7	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1CC(=C[C@@H](O)CC(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)C)/COC(=O)C	29	0	0.5	6	7	1	106.760000000000005	99.1299999999999955	2.62000000000000011	1.84000000000000008	2.54999999999999982	2.08999999999999986	2.64999999999999991	2.35000000000000009	-3.10999999999999988	0.313	0.000774999999999999973	Soluble	-3.54000000000000004	0.116000000000000006	0.000286999999999999983	Soluble	-2.58000000000000007	1.08000000000000007	0.00266000000000000004	Soluble	High	No	No	No	No	No	No	No	-7.45999999999999996	0	0	0	0	0	0.550000000000000044
1262	404.449999999999989	C22H28O7	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1[C@@H](O)C(=CC[C@@H](C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)OC(=O)C)C)/C	29	0	0.5	5	7	1	106.760000000000005	99.1299999999999955	2.83999999999999986	1.97999999999999998	2.54999999999999982	2.08999999999999986	2.37000000000000011	2.37000000000000011	-3.27000000000000002	0.220000000000000001	0.000542999999999999971	Soluble	-3.68999999999999995	0.0830000000000000043	0.000204999999999999996	Soluble	-2.33000000000000007	1.89999999999999991	0.00470999999999999978	Soluble	High	No	No	No	No	No	No	No	-7.36000000000000032	0	0	0	0	0	0.550000000000000044
1263	350.389999999999986	C21H20NO4	\N	\N	1	COc1cc2c(cc1OC)c[n+](c1c2ccc2c1cc(c(c2)O)OC)C	26	18	0.190000000000000002	3	4	1	104.049999999999997	51.7999999999999972	-0.550000000000000044	4.37999999999999989	3.70000000000000018	2.12999999999999989	3.7799999999999998	2.68999999999999995	-5.08999999999999986	0.00287000000000000016	8.19999999999999942e-06	Moderately soluble	-5.17999999999999972	0.00228999999999999993	6.54000000000000006e-06	Moderately soluble	-6.38999999999999968	0.000144000000000000004	4.11000000000000014e-07	Poorly soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-5.33000000000000007	0	0	0	0	0	0.550000000000000044
1264	420.449999999999989	C22H28O8	\N	\N	1	CC(=O)O[C@H]1CC=C(C)[C@@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@H]([C@@H]2[C@@H](C=C1C)OC(=O)C2=C)O	30	0	0.589999999999999969	5	8	1	106.239999999999995	111.659999999999997	3.29000000000000004	1.10000000000000009	1.76000000000000001	1.37999999999999989	2.20000000000000018	1.94999999999999996	-2.81000000000000005	0.651000000000000023	0.00154999999999999995	Soluble	-3.04000000000000004	0.38600000000000001	0.000916999999999999955	Soluble	-2.27000000000000002	2.24000000000000021	0.00532999999999999967	Soluble	High	No	No	No	No	No	No	No	-8.08000000000000007	0	0	0	0	0	0.550000000000000044
1266	682.799999999999955	C40H46N2O8	\N	\N	1	COc1cc2c(cc1Oc1c(ccc(c1OC)OC)C[C@@H]1N(C)CCc3c1cc(OC)c(c3)OC)C[C@H]1c3c2c(O)c(OC)cc3CCN1C	50	24	0.400000000000000022	10	10	1	200	91.3199999999999932	6.09999999999999964	6.34999999999999964	5.34999999999999964	2.79000000000000004	6.82000000000000028	5.48000000000000043	-7.76999999999999957	1.16000000000000007e-05	1.7e-08	Poorly soluble	-8.0600000000000005	5.96999999999999959e-06	8.73999999999999918e-09	Poorly soluble	-10.7899999999999991	1.11999999999999994e-08	1.63999999999999996e-11	Insoluble	High	No	No	No	No	No	No	No	-5.95999999999999996	1	3	0	0	2	0.550000000000000044
1267	362.420000000000016	C20H26O6	\N	\N	1	OC/C=C(/C(=O)O[C@@H]1CC(=CCCC(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)C)\\CO	26	0	0.5	5	6	2	97.019999999999996	93.0600000000000023	2.70000000000000018	1.12999999999999989	1.97999999999999998	1.71999999999999997	2.41999999999999993	1.98999999999999999	-2.4700000000000002	1.22999999999999998	0.00339999999999999981	Soluble	-2.68000000000000016	0.76100000000000001	0.00209999999999999987	Soluble	-2.20999999999999996	2.25999999999999979	0.00621999999999999983	Soluble	High	No	No	No	No	No	No	No	-7.70999999999999996	0	0	0	0	0	0.550000000000000044
1268	392.399999999999977	C20H24O8	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1C[C@]2(CO2)[C@H]2[C@]([C@@H]3[C@@H]1C(=C)C(=O)O3)(O)[C@]1([C@@H]([C@H]2O)O1)C)/C	28	0	0.699999999999999956	3	8	2	93.9099999999999966	118.120000000000005	2.58999999999999986	-0.0400000000000000008	0.0100000000000000002	0.299999999999999989	1.69999999999999996	0.910000000000000031	-2.04999999999999982	3.5	0.00892000000000000084	Soluble	-1.98999999999999999	4.00999999999999979	0.0102000000000000007	Very soluble	-1.27000000000000002	21	0.0536000000000000018	Soluble	High	No	Yes	No	No	No	No	No	-8.72000000000000064	0	0	0	0	0	0.550000000000000044
1269	369.410000000000025	C21H23NO5	\N	\N	1	COc1cc2c(cc1OC)CCN([C@@]12Cc2c([C@@H]1O)c1OCOc1cc2)C	27	12	0.429999999999999993	2	6	1	102.920000000000002	60.3900000000000006	3.45000000000000018	2.2799999999999998	1.59000000000000008	1.79000000000000004	3.10000000000000009	2.43999999999999995	-3.75999999999999979	0.0637000000000000066	0.000172000000000000007	Soluble	-3.18999999999999995	0.240999999999999992	0.000653000000000000043	Soluble	-5.16000000000000014	0.0025699999999999998	6.97000000000000018e-06	Moderately soluble	High	Yes	Yes	No	No	Yes	Yes	Yes	-6.92999999999999972	0	0	0	0	0	0.550000000000000044
1270	237.289999999999992	C13H19NO3	\N	\N	1	COc1cc2[C@H](C)N(C)CCc2c(c1OC)O	17	6	0.540000000000000036	2	4	1	70.5	41.9299999999999997	2.68999999999999995	1.78000000000000003	1.25	1.09000000000000008	1.87999999999999989	1.73999999999999999	-2.56000000000000005	0.651000000000000023	0.00273999999999999981	Soluble	-2.2799999999999998	1.25	0.00525999999999999992	Soluble	-2.79000000000000004	0.380000000000000004	0.00160000000000000008	Soluble	High	Yes	No	No	No	No	No	No	-6.48000000000000043	0	0	0	0	0	0.550000000000000044
1271	355.430000000000007	C21H25NO4	\N	\N	1	COc1cc2c(cc1OC)C[C@H]1c3c2c(OC)c(OC)cc3CCN1C	26	12	0.429999999999999993	4	5	0	104.939999999999998	40.1599999999999966	3.64999999999999991	3.37000000000000011	2.77000000000000002	2.20000000000000018	4.03000000000000025	3.20000000000000018	-4.24000000000000021	0.0202999999999999986	5.70000000000000031e-05	Moderately soluble	-3.89000000000000012	0.0456000000000000016	0.000127999999999999994	Soluble	-5.98000000000000043	0.000375000000000000008	1.0499999999999999e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.08000000000000007	0	0	0	0	0	0.550000000000000044
1273	376.399999999999977	C20H24O7	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1CC(=C)[C@H]2[C@]([C@@H]3[C@@H]1C(=C)C(=O)O3)(O)[C@]1([C@@H]([C@H]2O)O1)C)/C	27	0	0.599999999999999978	3	7	2	94.4300000000000068	105.590000000000003	2.04999999999999982	1.68999999999999995	0.800000000000000044	1	1.98999999999999999	1.51000000000000001	-3.04000000000000004	0.343000000000000027	0.000911000000000000026	Soluble	-3.52000000000000002	0.113000000000000003	0.000299999999999999974	Soluble	-1.66999999999999993	8.07000000000000028	0.0213999999999999989	Soluble	High	No	Yes	No	No	No	No	No	-7.40000000000000036	0	0	0	0	0	0.550000000000000044
1274	360.399999999999977	C20H24O6	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)[C@]1([C@@H](C2)O1)C)CO)/C	26	0	0.599999999999999978	4	6	1	93.230000000000004	85.3599999999999994	3.08999999999999986	0.900000000000000022	1.83000000000000007	1.80000000000000004	2.87000000000000011	2.10000000000000009	-2.37999999999999989	1.51000000000000001	0.00419000000000000015	Soluble	-2.2799999999999998	1.89999999999999991	0.00527999999999999997	Soluble	-2.49000000000000021	1.16999999999999993	0.00325999999999999988	Soluble	High	No	No	No	No	No	No	No	-7.86000000000000032	0	0	0	0	0	0.550000000000000044
1275	262.300000000000011	C15H18O4	\N	\N	1	O=C1C=C[C@]2([C@H](C1=C)C[C@H]1[C@@H](C2)OC(=O)[C@]1(C)O)C	19	0	0.599999999999999978	0	4	1	69.3499999999999943	63.6000000000000014	1.94999999999999996	1.6399999999999999	1.3899999999999999	1.53000000000000003	2.02000000000000002	1.70999999999999996	-2.5	0.82999999999999996	0.00317000000000000007	Soluble	-2.58999999999999986	0.676000000000000045	0.00257999999999999983	Soluble	-2.12999999999999989	1.93999999999999995	0.00738000000000000028	Soluble	High	Yes	No	No	No	No	No	No	-6.74000000000000021	0	0	0	0	0	0.550000000000000044
1276	362.420000000000016	C20H26O6	\N	\N	1	CC(=CC(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]([C@H]([C@H]2[C@@]1(C)C(=O)C=C2)C)O)C	26	0	0.650000000000000022	3	6	1	94.6400000000000006	89.9000000000000057	3.18999999999999995	2.56999999999999984	1.81000000000000005	1.80000000000000004	1.77000000000000002	2.22999999999999998	-3.50999999999999979	0.112000000000000002	0.00031	Soluble	-4.11000000000000032	0.0284000000000000016	7.83000000000000059e-05	Moderately soluble	-1.72999999999999998	6.83000000000000007	0.0188000000000000007	Soluble	High	No	No	No	No	No	No	No	-6.69000000000000039	0	0	0	0	0	0.550000000000000044
1277	360.399999999999977	C20H24O6	\N	\N	1	CC(=CC(=O)O[C@H]1[C@H]2[C@H](OC(=O)C2=C)[C@@H]([C@H]([C@H]2[C@@]1(C)C(=O)C=C2)C)O)C	26	0	0.550000000000000044	3	6	1	94.1599999999999966	89.9000000000000057	2.66000000000000014	2.45999999999999996	1.72999999999999998	1.71999999999999997	2.04000000000000004	2.12000000000000011	-3.43000000000000016	0.135000000000000009	0.000375000000000000008	Soluble	-3.99000000000000021	0.0367000000000000035	0.000101999999999999999	Soluble	-1.95999999999999996	3.99000000000000021	0.0111000000000000005	Soluble	High	No	No	No	No	No	No	No	-6.75	0	0	0	0	0	0.550000000000000044
1278	264.319999999999993	C15H20O4	\N	\N	1	C=C1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@@H]1[C@@H](O)C[C@@]2(C)O	19	0	0.67000000000000004	0	4	2	70.5799999999999983	66.7600000000000051	2.08000000000000007	0.859999999999999987	1.17999999999999994	1.62000000000000011	1.71999999999999997	1.48999999999999999	-2.02000000000000002	2.52000000000000002	0.00953999999999999987	Soluble	-1.85000000000000009	3.77000000000000002	0.0143000000000000002	Very soluble	-1.68999999999999995	5.45999999999999996	0.0206999999999999997	Soluble	High	Yes	Yes	No	No	No	No	No	-7.29999999999999982	0	0	0	0	0	0.550000000000000044
1280	306.350000000000023	C17H22O5	\N	\N	1	CC(=O)O[C@H]1C[C@@]([C@H]2[C@H]1C(=C[C@H]1[C@H](C2)C(=C)C(=O)O1)C)(C)O	22	0	0.650000000000000022	2	5	1	80.3100000000000023	72.8299999999999983	2.66999999999999993	1.23999999999999999	1.75	2	1.87999999999999989	1.90999999999999992	-2.39000000000000012	1.25	0.00408999999999999989	Soluble	-2.37000000000000011	1.31000000000000005	0.00429000000000000041	Soluble	-2.06999999999999984	2.60000000000000009	0.0084700000000000001	Soluble	High	Yes	No	No	No	No	No	No	-7.29000000000000004	0	0	0	0	0	0.550000000000000044
1281	264.319999999999993	C15H20O4	\N	\N	1	C[C@@H]1C(=O)O[C@H]2[C@@H]1[C@H](O)C1=C(C)C(=O)C[C@@H]1[C@H](C2)C	19	0	0.729999999999999982	0	4	1	70.0499999999999972	63.6000000000000014	2.04000000000000004	0.819999999999999951	1.46999999999999997	1.62000000000000011	1.75	1.54000000000000004	-2	2.66999999999999993	0.0100999999999999996	Very soluble	-1.73999999999999999	4.83999999999999986	0.0183000000000000003	Very soluble	-1.89999999999999991	3.31999999999999984	0.0126000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-7.33000000000000007	0	0	0	0	0	0.550000000000000044
1282	608.720000000000027	C37H40N2O6	\N	\N	1	COc1cc2CCN([C@@H]3c2cc1Oc1c2c(CCN([C@@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1OC)O)C	45	24	0.349999999999999978	3	8	1	181.599999999999994	72.8599999999999994	4.58999999999999986	6.33999999999999986	5.45000000000000018	3.54999999999999982	5.5	5.08999999999999986	-7.79999999999999982	9.54000000000000014e-06	1.57000000000000016e-08	Poorly soluble	-7.66000000000000014	1.32999999999999997e-05	2.19000000000000009e-08	Poorly soluble	-10.1199999999999992	4.61000000000000025e-08	7.56999999999999945e-11	Insoluble	High	No	No	No	No	No	No	No	-5.50999999999999979	1	3	0	0	2	0.550000000000000044
1283	373.439999999999998	C21H27NO5	\N	\N	1	COC1=C(OC)[C@@]23[C@](CC1=O)(CCN3C)c1c(CC2)ccc(c1OC)OC	27	6	0.569999999999999951	4	6	0	104.519999999999996	57.2299999999999969	3.27000000000000002	2.06000000000000005	2.06000000000000005	0.939999999999999947	3.33000000000000007	2.33000000000000007	-3.35000000000000009	0.165000000000000008	0.00044299999999999998	Soluble	-2.89000000000000012	0.479999999999999982	0.00128999999999999991	Soluble	-5.17999999999999972	0.00245999999999999995	6.58999999999999959e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	Yes	-7.12000000000000011	0	0	0	0	0	0.560000000000000053
1284	193.240000000000009	C11H15NO2	\N	\N	1	COc1cc2CNCCc2cc1OC	14	6	0.450000000000000011	2	3	1	58.7700000000000031	30.4899999999999984	2.29999999999999982	1.27000000000000002	0.819999999999999951	1.12000000000000011	2.37999999999999989	1.58000000000000007	-2.02000000000000002	1.83000000000000007	0.00948000000000000058	Soluble	-1.51000000000000001	5.98000000000000043	0.0309000000000000004	Very soluble	-3.54000000000000004	0.0560000000000000012	0.000290000000000000002	Soluble	High	Yes	Yes	No	No	No	No	No	-6.58000000000000007	0	0	0	0	1	0.550000000000000044
1285	652.779999999999973	C39H44N2O7	\N	\N	1	COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1N(C)CCc3c1cc(Oc1c4[C@H](C2)N(C)CCc4c(c(c1OC)OC)OC)c(OC)c3	48	24	0.380000000000000004	5	9	0	192.569999999999993	71.0900000000000034	5.48000000000000043	6.63999999999999968	5.75999999999999979	3.39000000000000012	6.15000000000000036	5.48000000000000043	-8.10999999999999943	5.05999999999999983e-06	7.75999999999999967e-09	Poorly soluble	-7.92999999999999972	7.59000000000000018e-06	1.15999999999999996e-08	Poorly soluble	-10.8900000000000006	8.41000000000000053e-09	1.29000000000000004e-11	Insoluble	High	No	No	No	No	No	No	No	-5.57000000000000028	1	4	0	0	2	0.550000000000000044
1286	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	3.20000000000000018	2.74000000000000021	1.84000000000000008	2	3.14000000000000012	2.58000000000000007	-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	Yes	Yes	Yes	Yes	Yes	-6.69000000000000039	0	0	0	0	0	0.550000000000000044
1288	565.57000000000005	C27H35NO12	\N	\N	1	C=C[C@H]1[C@@H](OC=C([C@H]1C[C@H]1N(CCc2c1cc(O)c(c2)O)C(=O)C)C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	40	6	0.560000000000000053	9	12	6	140.659999999999997	195.680000000000007	3.04000000000000004	-0.349999999999999978	-1.12000000000000011	-1.34000000000000008	-0.660000000000000031	-0.0899999999999999967	-2.64000000000000012	1.29000000000000004	0.00227999999999999991	Soluble	-3.29999999999999982	0.284999999999999976	0.000503999999999999999	Soluble	-0.200000000000000011	358	0.632000000000000006	Soluble	Low	No	Yes	No	No	No	No	No	-10	3	4	1	1	3	0.110000000000000001
1289	438.430000000000007	C21H26O10	\N	\N	1	CC(=O)OCC1=C2[C@@H](OC(=O)C)C[C@@](C)(OC(=O)C)C(=O)CC[C@@]3([C@@H]([C@H]2OC1=O)O3)C	31	0	0.67000000000000004	7	10	0	102.75	134.800000000000011	2.85999999999999988	-0.450000000000000011	0.939999999999999947	0.429999999999999993	2.37999999999999989	1.22999999999999998	-1.81000000000000005	6.75	0.0154000000000000005	Very soluble	-1.91999999999999993	5.33000000000000007	0.0122000000000000008	Very soluble	-3.02000000000000002	0.420999999999999985	0.000959	Soluble	High	No	No	No	No	No	No	No	-9.28999999999999915	0	0	0	1	0	0.550000000000000044
1290	232.319999999999993	C15H20O2	\N	\N	1	CC1=CCCC(=CCC2=C(C(=O)O[C@H]2C1)C)C	17	0	0.530000000000000027	0	2	0	69.8499999999999943	26.3000000000000007	2.81999999999999984	2.50999999999999979	3.68999999999999995	3.25999999999999979	3.35999999999999988	3.12999999999999989	-2.85999999999999988	0.319000000000000006	0.00137999999999999993	Soluble	-2.70999999999999996	0.455000000000000016	0.00195999999999999994	Soluble	-3.25	0.129000000000000004	0.000556999999999999986	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.94000000000000039	0	0	0	0	0	0.550000000000000044
1291	360.360000000000014	C19H20O7	\N	\N	1	OCC1=C[C@@H](OC(=O)C(=C)C)[C@H]2[C@H](C[C@]3(OC1=CC3=O)C)OC(=O)C2=C	26	0	0.419999999999999984	4	7	1	90.2600000000000051	99.1299999999999955	2.62000000000000011	0.939999999999999947	1.1399999999999999	0.609999999999999987	2.10000000000000009	1.47999999999999998	-2.39999999999999991	1.42999999999999994	0.00395999999999999998	Soluble	-2.60999999999999988	0.888000000000000012	0.00245999999999999995	Soluble	-2.35000000000000009	1.62999999999999989	0.00451999999999999971	Soluble	High	No	No	No	No	No	No	No	-7.83000000000000007	0	0	0	0	0	0.560000000000000053
1292	446.529999999999973	C25H34O7	\N	\N	1	C/C=C(\\C(=O)O[C@H]1C[C@](C)(O)[C@@H]2[C@H]([C@H]3[C@@H]1[C@](C)(OC(=O)/C(=C\\C)/C)C(=O)O3)C(=CC2)C)/C	32	0	0.640000000000000013	6	7	1	119.620000000000005	99.1299999999999955	3.37000000000000011	3.52000000000000002	3.41000000000000014	2.81000000000000005	3.39000000000000012	3.29999999999999982	-4.42999999999999972	0.0166000000000000002	3.71000000000000005e-05	Moderately soluble	-5.29000000000000004	0.00230999999999999999	5.18000000000000038e-06	Moderately soluble	-2.97999999999999998	0.462000000000000022	0.00103999999999999991	Soluble	High	No	No	No	No	No	No	Yes	-6.51999999999999957	0	0	0	0	0	0.550000000000000044
1293	434.439999999999998	C22H26O9	\N	\N	1	CC(=O)OC/C=C(\\C(=O)O[C@@H]1C[C@]2(CO2)[C@H]2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)[C@]1([C@@H]([C@H]2O)O1)C)/C	31	0	0.680000000000000049	6	9	1	103.609999999999999	124.189999999999998	2.81999999999999984	0.340000000000000024	0.440000000000000002	0.689999999999999947	2.10000000000000009	1.28000000000000003	-2.35000000000000009	1.92999999999999994	0.00444999999999999996	Soluble	-2.50999999999999979	1.34000000000000008	0.00307999999999999984	Soluble	-1.67999999999999994	9.00999999999999979	0.0206999999999999997	Soluble	High	No	No	No	No	No	No	No	-8.71000000000000085	0	0	0	0	0	0.550000000000000044
1295	288.300000000000011	C16H16O5	\N	\N	1	COc1cc(O)c(c(c1)O)C(=O)CCc1ccc(cc1)O	21	12	0.190000000000000002	5	5	3	78.4899999999999949	86.9899999999999949	1.96999999999999997	2.95000000000000018	2.62999999999999989	1.35000000000000009	2.70999999999999996	2.31999999999999984	-3.58000000000000007	0.0759999999999999981	0.00026400000000000002	Soluble	-4.44000000000000039	0.0105000000000000007	3.63999999999999971e-05	Moderately soluble	-4.07000000000000028	0.0245000000000000009	8.5099999999999995e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.95999999999999996	0	0	0	0	0	0.550000000000000044
1296	262.300000000000011	C15H18O4	\N	\N	1	C[C@@H]1C(=O)C[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@H](CC2=C)O	19	0	0.599999999999999978	0	4	1	69.5799999999999983	63.6000000000000014	2.06999999999999984	0.82999999999999996	1.25	1.53000000000000003	1.90999999999999992	1.52000000000000002	-1.98999999999999999	2.68999999999999995	0.0103000000000000001	Very soluble	-1.75	4.67999999999999972	0.0178999999999999992	Very soluble	-1.92999999999999994	3.08000000000000007	0.0117000000000000003	Soluble	High	Yes	No	No	No	No	No	No	-7.30999999999999961	0	0	0	0	0	0.550000000000000044
1297	262.300000000000011	C15H18O4	\N	\N	1	C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C	19	0	0.599999999999999978	0	4	1	69.3199999999999932	63.6000000000000014	2	0.609999999999999987	1.25	1.53000000000000003	1.62999999999999989	1.39999999999999991	-1.85000000000000009	3.70000000000000018	0.0140999999999999997	Very soluble	-1.52000000000000002	7.92999999999999972	0.0302000000000000011	Very soluble	-1.67999999999999994	5.45999999999999996	0.020799999999999999	Soluble	High	Yes	No	No	No	No	No	No	-7.46999999999999975	0	0	0	0	0	0.550000000000000044
1298	362.420000000000016	C20H26O6	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2C[C@@H](C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O)/C	26	0	0.599999999999999978	3	6	1	95.3400000000000034	85.3599999999999994	2.7799999999999998	1.87999999999999989	2.2200000000000002	1.80000000000000004	2.60000000000000009	2.25999999999999979	-3.06999999999999984	0.305999999999999994	0.000845000000000000048	Soluble	-3.29000000000000004	0.183999999999999997	0.000506999999999999964	Soluble	-2.25999999999999979	2.00999999999999979	0.00555000000000000025	Soluble	High	No	No	No	No	No	No	No	-7.17999999999999972	0	0	0	0	0	0.550000000000000044
1299	420.449999999999989	C22H28O8	\N	\N	1	OC/C=C(/C(=O)O[C@@H]1CC(=CC[C@@H](C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)OC(=O)C)C)\\CO	30	0	0.5	7	8	2	107.920000000000002	119.359999999999999	2.27000000000000002	0.589999999999999969	1.53000000000000003	1.30000000000000004	2.06000000000000005	1.55000000000000004	-2.35999999999999988	1.85000000000000009	0.00440000000000000027	Soluble	-2.66999999999999993	0.899000000000000021	0.00213999999999999998	Soluble	-2	4.16999999999999993	0.00991000000000000041	Soluble	High	No	No	No	No	No	No	No	-8.44999999999999929	0	0	0	0	0	0.550000000000000044
1300	246.300000000000011	C15H18O3	\N	\N	1	C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@]1(O)CCC2=C	18	0	0.530000000000000027	0	3	1	68.9399999999999977	46.5300000000000011	2.54000000000000004	1.54000000000000004	2.12999999999999989	2.37999999999999989	2.89999999999999991	2.29999999999999982	-2.33999999999999986	1.12999999999999989	0.00459999999999999992	Soluble	-2.12999999999999989	1.84000000000000008	0.00747999999999999967	Soluble	-2.7200000000000002	0.466000000000000025	0.00188999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-6.70999999999999996	0	0	0	0	0	0.550000000000000044
1301	378.370000000000005	C19H22O8	\N	\N	1	OCC(=C)C(=O)O[C@H]1C[C@]23O[C@@H]3CCC(=C[C@@H]3[C@@H]1C(=C)C(=O)O3)CO[C@H]2O	27	0	0.57999999999999996	4	8	2	90.6700000000000017	114.819999999999993	2.27000000000000002	-0.320000000000000007	0.140000000000000013	0.390000000000000013	1.25	0.75	-1.71999999999999997	7.20000000000000018	0.0189999999999999995	Very soluble	-1.62999999999999989	8.85999999999999943	0.0234000000000000007	Very soluble	-1.16999999999999993	25.5	0.0672999999999999987	Soluble	High	No	No	No	No	No	No	No	-8.83999999999999986	0	0	0	0	0	0.550000000000000044
1303	328.319999999999993	C18H16O6	\N	\N	1	COc1ccccc1[C@@H]1CC(=O)c2c(O1)cc1c(c2OC)OCO1	24	12	0.280000000000000027	3	6	0	84.5499999999999972	63.2199999999999989	3.06999999999999984	2.66000000000000014	2.81000000000000005	1.30000000000000004	3.45000000000000018	2.66000000000000014	-3.7200000000000002	0.0621000000000000024	0.000189000000000000013	Soluble	-3.64000000000000012	0.0753999999999999948	0.000230000000000000007	Soluble	-5.12999999999999989	0.00245999999999999995	7.48000000000000038e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-6.41000000000000014	0	0	0	0	0	0.550000000000000044
1304	280.319999999999993	C15H20O5	\N	\N	1	OC[C@@]1(O)C(=O)O[C@H]2[C@@H]1C[C@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C	20	0	0.729999999999999982	1	5	2	70.9899999999999949	83.8299999999999983	1.71999999999999997	1.06000000000000005	0.440000000000000002	0.790000000000000036	1.12999999999999989	1.03000000000000003	-2.18000000000000016	1.85000000000000009	0.00661000000000000042	Soluble	-2.41000000000000014	1.09000000000000008	0.0038800000000000002	Soluble	-1.34000000000000008	12.8000000000000007	0.0458000000000000004	Soluble	High	No	Yes	No	No	No	No	No	-7.25999999999999979	0	0	0	0	0	0.550000000000000044
1305	264.319999999999993	C15H20O4	\N	\N	1	O=C1O[C@@H]2[C@H]([C@H]1C)CC[C@@H]([C@]1([C@@]2(C)C(=O)C=C1)O)C	19	0	0.729999999999999982	0	4	1	69.8299999999999983	63.6000000000000014	1.85000000000000009	1.41999999999999993	1.46999999999999997	1.62000000000000011	1.75	1.62000000000000011	-2.37000000000000011	1.12000000000000011	0.00423000000000000025	Soluble	-2.35999999999999988	1.14999999999999991	0.00436000000000000016	Soluble	-1.89999999999999991	3.31999999999999984	0.0126000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-6.90000000000000036	0	0	0	0	0	0.550000000000000044
1306	282.329999999999984	C15H22O5	\N	\N	1	O[C@@H]1O[C@@H](O)[C@@]2([C@@H](C1)[C@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C	20	0	0.800000000000000044	0	5	2	71.8400000000000034	75.9899999999999949	1.85000000000000009	1.73999999999999999	1.18999999999999995	1.69999999999999996	1.07000000000000006	1.51000000000000001	-2.68999999999999995	0.580999999999999961	0.0020600000000000002	Soluble	-2.95000000000000018	0.315000000000000002	0.0011199999999999999	Soluble	-1.18999999999999995	18.1999999999999993	0.0646000000000000046	Soluble	High	No	Yes	No	No	No	No	No	-6.79000000000000004	0	0	0	0	0	0.550000000000000044
1307	308.370000000000005	C17H24O5	\N	\N	1	CC(=O)OCCCC1=C(C)C[C@@H]2[C@H]([C@@H]([C@@H]1C)O)C(=C)C(=O)O2	22	0	0.650000000000000022	5	5	1	82.3900000000000006	72.8299999999999983	2.62999999999999989	1.44999999999999996	2.14000000000000012	2	2.70000000000000018	2.18999999999999995	-2.33999999999999986	1.41999999999999993	0.00461999999999999997	Soluble	-2.58999999999999986	0.801000000000000045	0.00259999999999999988	Soluble	-2.91999999999999993	0.372999999999999998	0.00120999999999999992	Soluble	High	Yes	No	No	No	No	No	No	-7.15000000000000036	0	0	0	0	0	0.550000000000000044
1309	278.300000000000011	C15H18O5	\N	\N	1	OCC1=C2[C@H](OC1=O)C[C@H]([C@H]1[C@@]([C@H]2O)(C)C(=O)C=C1)C	20	0	0.599999999999999978	1	5	2	70.480000000000004	83.8299999999999983	1.55000000000000004	0.0500000000000000028	0.359999999999999987	0.699999999999999956	1.12000000000000011	0.760000000000000009	-1.53000000000000003	8.19999999999999929	0.0293999999999999991	Very soluble	-1.3600000000000001	12.0999999999999996	0.0432999999999999982	Very soluble	-1.32000000000000006	13.3000000000000007	0.0478000000000000022	Soluble	High	No	No	No	No	No	No	No	-7.95999999999999996	0	0	0	0	0	0.550000000000000044
1310	406.470000000000027	C22H30O7	\N	\N	1	C/C=C(\\C(=O)O[C@H]1C[C@](C)(O)[C@@H]2[C@H]([C@H]3[C@@H]1[C@](C)(OC(=O)C)C(=O)O3)C(=CC2)C)/C	29	0	0.680000000000000049	5	7	1	105.670000000000002	99.1299999999999955	3.00999999999999979	2.33000000000000007	2.45999999999999996	2.25	2.49000000000000021	2.50999999999999979	-3.5	0.129000000000000004	0.000317999999999999978	Soluble	-4.04999999999999982	0.036200000000000003	8.89999999999999949e-05	Moderately soluble	-2.54999999999999982	1.15999999999999992	0.00284000000000000008	Soluble	High	No	No	No	No	No	No	Yes	-7.12999999999999989	0	0	0	0	0	0.550000000000000044
1311	306.350000000000023	C17H22O5	\N	\N	1	CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)[C@@H]2C)C[C@H]([C@H]2[C@@]1(C)C(=O)C=C2)C	22	0	0.709999999999999964	2	5	0	79.5300000000000011	69.6700000000000017	2.10000000000000009	1.10000000000000009	1.89999999999999991	2	1.80000000000000004	1.78000000000000003	-2.29999999999999982	1.53000000000000003	0.0050099999999999997	Soluble	-2.16000000000000014	2.14000000000000012	0.00698999999999999969	Soluble	-2.08999999999999986	2.50999999999999979	0.00817999999999999977	Soluble	High	Yes	No	No	No	No	No	No	-7.38999999999999968	0	0	0	0	0	0.550000000000000044
1312	248.319999999999993	C15H20O3	\N	\N	1	O[C@H]1CC(=C)[C@H]2[C@@](C1)(C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1	18	0	0.67000000000000004	0	3	1	69.1200000000000045	46.5300000000000011	2.33000000000000007	2.08000000000000007	2.20999999999999996	2.4700000000000002	2.62000000000000011	2.33999999999999986	-2.68999999999999995	0.507000000000000006	0.00204000000000000015	Soluble	-2.68999999999999995	0.51100000000000001	0.0020600000000000002	Soluble	-2.49000000000000021	0.796000000000000041	0.00321000000000000018	Soluble	High	Yes	No	No	No	No	No	No	-6.33999999999999986	0	0	0	0	0	0.550000000000000044
1313	276.279999999999973	C15H16O5	\N	\N	1	OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)O	20	0	0.469999999999999973	1	5	2	70.2600000000000051	83.8299999999999983	1.5	-0.719999999999999973	0.280000000000000027	0.609999999999999987	1.3899999999999999	0.609999999999999987	-1.03000000000000003	25.6000000000000014	0.0926000000000000018	Very soluble	-0.560000000000000053	75.2999999999999972	0.27300000000000002	Very soluble	-1.55000000000000004	7.75	0.0281	Soluble	High	No	No	No	No	No	No	No	-8.5	0	0	0	0	0	0.550000000000000044
1314	410.420000000000016	C23H22O7	\N	\N	1	OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)C3=C)OC(=O)Cc1ccc(cc1)O	30	6	0.349999999999999978	5	7	2	106.510000000000005	110.129999999999995	1.98999999999999999	1.10000000000000009	1.78000000000000003	1.6100000000000001	2.87999999999999989	1.87000000000000011	-2.89999999999999991	0.52200000000000002	0.00127000000000000008	Soluble	-3.00999999999999979	0.405000000000000027	0.000987999999999999946	Soluble	-4.08000000000000007	0.0344	8.3800000000000004e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-8.01999999999999957	0	0	0	0	0	0.550000000000000044
1315	390.470000000000027	C22H30O6	\N	\N	1	C/C=C(\\C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)C)CC(=CCCC(=C2)C)C)/C	28	0	0.589999999999999969	5	6	0	106.109999999999999	78.9000000000000057	2.91999999999999993	3.37999999999999989	3.79999999999999982	2.9700000000000002	3.37000000000000011	3.29000000000000004	-4.05999999999999961	0.0340000000000000024	8.70000000000000005e-05	Moderately soluble	-4.71999999999999975	0.00751999999999999977	1.93000000000000016e-05	Moderately soluble	-3.37000000000000011	0.16800000000000001	0.000431999999999999984	Soluble	High	No	No	No	No	No	No	No	-6.28000000000000025	0	0	0	0	0	0.550000000000000044
1317	418.439999999999998	C22H26O8	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1C[C@]2(C)C=C[C@@](O2)(C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O)/COC(=O)C	30	0	0.5	6	8	1	105.810000000000002	108.359999999999999	3.29999999999999982	1.18999999999999995	1.8899999999999999	1.70999999999999996	2.25	2.06999999999999984	-2.79000000000000004	0.682000000000000051	0.00162999999999999994	Soluble	-3.06000000000000005	0.362999999999999989	0.000867999999999999956	Soluble	-2.29000000000000004	2.16999999999999993	0.00519000000000000017	Soluble	High	No	No	No	No	No	No	No	-8.00999999999999979	0	0	0	0	0	0.550000000000000044
1318	306.350000000000023	C17H22O5	\N	\N	1	CC(=O)OC[C@@]12C(=O)CC[C@H]1[C@@H](C)CC[C@@H]1[C@H]2OC(=O)C1=C	22	0	0.709999999999999964	3	5	0	79.5300000000000011	69.6700000000000017	2.25999999999999979	1.8899999999999999	2.04000000000000004	2	2.77000000000000002	2.18999999999999995	-2.72999999999999998	0.567999999999999949	0.00185000000000000008	Soluble	-2.97999999999999998	0.32400000000000001	0.00105999999999999996	Soluble	-3.0299999999999998	0.283999999999999975	0.000926999999999999981	Soluble	High	Yes	No	No	No	No	No	No	-6.83000000000000007	0	0	0	0	0	0.550000000000000044
1319	260.29000000000002	C15H16O4	\N	\N	1	CC1=CCC[C@@]23O[C@H]3[C@H](c3c(C1)occ3C)OC2=O	19	5	0.530000000000000027	0	4	0	67.6500000000000057	51.9699999999999989	2.60999999999999988	1.8600000000000001	2.2799999999999998	1.47999999999999998	3.20000000000000018	2.29000000000000004	-2.81999999999999984	0.394000000000000017	0.00151000000000000006	Soluble	-2.56999999999999984	0.695999999999999952	0.00267000000000000006	Soluble	-3.5299999999999998	0.0772999999999999937	0.000297000000000000009	Soluble	High	Yes	Yes	No	No	No	No	No	-6.57000000000000028	0	0	0	0	0	0.550000000000000044
1320	304.339999999999975	C17H20O5	\N	\N	1	CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)C2=C)C[C@H]([C@H]2[C@@]1(C)C(=O)C=C2)C	22	0	0.589999999999999969	2	5	0	79.0499999999999972	69.6700000000000017	2.16000000000000014	1.18999999999999995	1.82000000000000006	1.91999999999999993	2.08000000000000007	1.83000000000000007	-2.33999999999999986	1.37999999999999989	0.00451999999999999971	Soluble	-2.25	1.70999999999999996	0.00562999999999999959	Soluble	-2.31999999999999984	1.45999999999999996	0.00481000000000000004	Soluble	High	Yes	No	No	No	No	No	No	-7.30999999999999961	0	0	0	0	0	0.550000000000000044
1321	306.350000000000023	C17H22O5	\N	\N	1	CC(=O)O[C@@H]1CC(=CCC[C@@]2([C@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)O2)C)C	22	0	0.650000000000000022	2	5	0	80.2399999999999949	65.1299999999999955	2.60999999999999988	1.92999999999999994	2.29999999999999982	2	2.64999999999999991	2.29999999999999982	-2.81999999999999984	0.46000000000000002	0.00150000000000000003	Soluble	-2.91999999999999993	0.366999999999999993	0.00119999999999999989	Soluble	-2.62000000000000011	0.737999999999999989	0.00240999999999999982	Soluble	High	Yes	No	No	No	No	No	No	-6.79999999999999982	0	0	0	0	0	0.550000000000000044
1322	264.319999999999993	C15H20O4	\N	\N	1	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@]2(C)O[C@@H]2C[C@@H]1O)C	19	0	0.800000000000000044	0	4	1	68.5999999999999943	59.0600000000000023	2.29999999999999982	1.45999999999999996	1.41999999999999993	1.70999999999999996	2.20999999999999996	1.82000000000000006	-2.39999999999999991	1.06000000000000005	0.00398999999999999962	Soluble	-2.31000000000000005	1.31000000000000005	0.00493999999999999995	Soluble	-1.97999999999999998	2.75	0.0103999999999999995	Soluble	High	Yes	No	No	No	No	No	No	-6.87999999999999989	0	0	0	0	0	0.550000000000000044
1324	420.410000000000025	C21H24O9	\N	\N	1	COC(=O)C1=C[C@H]2O[C@H]2C(=C[C@@H]2[C@@H]([C@@H]([C@H]1O)OC(=O)[C@]1(C)O[C@@H]1C)C(=C)C(=O)O2)C	30	0	0.569999999999999951	5	9	1	100.409999999999997	124.189999999999998	2.45000000000000018	0.619999999999999996	0.359999999999999987	0.390000000000000013	1.53000000000000003	1.07000000000000006	-2.50999999999999979	1.31000000000000005	0.00310999999999999992	Soluble	-2.79999999999999982	0.662000000000000033	0.00158000000000000002	Soluble	-1.3899999999999999	17.1999999999999993	0.0408999999999999989	Soluble	High	No	No	No	No	No	No	No	-8.41999999999999993	0	0	0	0	0	0.550000000000000044
1325	522.5	C25H30O12	\N	\N	1	COC(=O)C1=C[C@H]2O[C@H]2C(=C[C@@H]2[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)[C@@]([C@@H](OC(=O)C)C)(O)C)C(=C)C(=O)O2)C	37	0	0.560000000000000053	10	12	1	123.230000000000004	164.259999999999991	2.50999999999999979	0.220000000000000001	0.46000000000000002	0.419999999999999984	1.41999999999999993	1.01000000000000001	-2.56000000000000005	1.44999999999999996	0.00276999999999999989	Soluble	-3.22999999999999998	0.307999999999999996	0.00059000000000000003	Soluble	-1.47999999999999998	17.3000000000000007	0.0330000000000000016	Soluble	Low	No	No	No	No	No	Yes	No	-9.33000000000000007	2	1	1	1	2	0.170000000000000012
1326	310.300000000000011	C15H18O7	\N	\N	1	O=C1O[C@@H]2[C@]([C@H]1[C@]1(O)[C@H]3O[C@H]3[C@@]3([C@@]1([C@@H]2O)C)CO3)(O)C(=C)C	22	0	0.800000000000000044	1	7	3	69.9699999999999989	112.049999999999997	1.72999999999999998	-1.58000000000000007	-1.5	-0.729999999999999982	0.650000000000000022	-0.28999999999999998	-0.699999999999999956	61.6000000000000014	0.198000000000000009	Very soluble	-0.260000000000000009	169	0.544000000000000039	Very soluble	-0.309999999999999998	153	0.492999999999999994	Soluble	High	No	Yes	No	No	No	No	No	-9.3100000000000005	0	1	0	0	0	0.550000000000000044
1328	262.300000000000011	C15H18O4	\N	\N	1	C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)[C@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C	19	0	0.599999999999999978	0	4	1	69.3199999999999932	63.6000000000000014	2.08999999999999986	0.609999999999999987	1.25	1.53000000000000003	1.62999999999999989	1.41999999999999993	-1.85000000000000009	3.70000000000000018	0.0140999999999999997	Very soluble	-1.52000000000000002	7.92999999999999972	0.0302000000000000011	Very soluble	-1.67999999999999994	5.45999999999999996	0.020799999999999999	Soluble	High	Yes	No	No	No	No	No	No	-7.46999999999999975	0	0	0	0	0	0.550000000000000044
1329	256.300000000000011	C16H16O3	\N	\N	1	COc1ccc(cc1)[C@@H]1CCc2c(O1)cc(cc2)O	19	12	0.25	2	3	1	73.5900000000000034	38.6899999999999977	2.70999999999999996	3.43000000000000016	3.14000000000000012	2.45000000000000018	3.39000000000000012	3.02000000000000002	-3.93000000000000016	0.0303999999999999999	0.000119000000000000006	Soluble	-3.91999999999999993	0.0305999999999999987	0.000119000000000000006	Soluble	-4.80999999999999961	0.00395999999999999998	1.55000000000000007e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	No	-5.42999999999999972	0	0	0	0	0	0.550000000000000044
1331	248.319999999999993	C15H20O3	\N	\N	1	CC1=C2CC[C@@]([C@@H]2[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)(C)O	18	0	0.67000000000000004	0	3	1	69.4099999999999966	46.5300000000000011	2.58000000000000007	1.34000000000000008	2.35999999999999988	2.4700000000000002	2.72999999999999998	2.29000000000000004	-2.2200000000000002	1.47999999999999998	0.00596999999999999961	Soluble	-1.91999999999999993	2.99000000000000021	0.0120999999999999996	Very soluble	-2.68999999999999995	0.501000000000000001	0.00202000000000000009	Soluble	High	Yes	No	No	No	No	No	No	-6.86000000000000032	0	0	0	0	0	0.550000000000000044
1332	262.300000000000011	C15H18O4	\N	\N	1	C=C1C(=O)O[C@H]2[C@@H]1C[C@]13CO[C@@H]([C@H]3[C@@H](C2)C)CC1=O	19	0	0.729999999999999982	0	4	0	67.5999999999999943	52.6000000000000014	2.04999999999999982	1.14999999999999991	1.48999999999999999	1.62000000000000011	2.31000000000000005	1.71999999999999997	-2.18999999999999995	1.68999999999999995	0.00645	Soluble	-1.85000000000000009	3.70999999999999996	0.0142000000000000008	Very soluble	-2.35000000000000009	1.16999999999999993	0.00447000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-7.08000000000000007	0	0	0	0	0	0.550000000000000044
1333	346.420000000000016	C20H26O5	\N	\N	1	C/C=C(/C(=O)O[C@H]1[C@H]2[C@@H](C[C@H]([C@H]3[C@@]1(C)C(=O)C=C3)C)OC(=O)[C@H]2C)\\C	25	0	0.650000000000000022	3	5	0	93.4699999999999989	69.6700000000000017	3.18000000000000016	2.29999999999999982	2.83999999999999986	2.60999999999999988	2.64999999999999991	2.7200000000000002	-3.24000000000000021	0.200000000000000011	0.000577000000000000039	Soluble	-3.39999999999999991	0.138000000000000012	0.000397	Soluble	-2.54000000000000004	0.996999999999999997	0.00288000000000000018	Soluble	High	Yes	No	No	No	No	No	No	-6.78000000000000025	0	0	0	0	0	0.550000000000000044
1334	494.579999999999984	C29H34O7	\N	\N	1	C=C1C(=O)O[C@H]2[C@@H]1C[C@@]13C(=O)C[C@@H]([C@H]1[C@@H](C2)C)C[C@]13C(=O)O[C@H]2[C@@H]1[C@H](O)[C@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C	36	0	0.719999999999999973	0	7	1	129.120000000000005	106.969999999999999	2.70000000000000018	1.65999999999999992	2.79999999999999982	2.79000000000000004	3	2.58999999999999986	-3.95000000000000018	0.0551999999999999991	0.000111999999999999998	Soluble	-3.52000000000000002	0.148999999999999994	0.000302000000000000022	Soluble	-3.83999999999999986	0.0720999999999999974	0.000145999999999999998	Soluble	High	No	Yes	No	No	No	No	No	-8.14000000000000057	0	1	0	0	0	0.550000000000000044
1335	290.269999999999982	C15H14O6	\N	\N	1	O=C1O[C@@H]2C=C1[C@H]1O[C@H]1[C@@H]1O[C@]1(C[C@H]1[C@H]2C(=C)C(=O)O1)C	21	0	0.599999999999999978	0	6	0	67.480000000000004	77.6599999999999966	1.78000000000000003	0.25	0.260000000000000009	0.699999999999999956	1.62000000000000011	0.92000000000000004	-1.80000000000000004	4.62999999999999989	0.0160000000000000003	Very soluble	-1.43999999999999995	10.5	0.036200000000000003	Very soluble	-1.33000000000000007	13.4000000000000004	0.046199999999999998	Soluble	High	No	Yes	No	No	No	No	No	-7.88999999999999968	0	0	0	0	0	0.550000000000000044
1336	346.370000000000005	C19H22O6	\N	\N	1	CC1=CC(=O)C=C(C)[C@@H]([C@@H]2[C@@H]([C@H](C1)OC(=O)C(=C)C)C(=C)C(=O)O2)O	25	0	0.419999999999999984	3	6	1	91.25	89.9000000000000057	2.22999999999999998	1.41999999999999993	1.80000000000000004	1.40999999999999992	2.20999999999999996	1.81000000000000005	-2.68000000000000016	0.716999999999999971	0.00206999999999999979	Soluble	-2.91000000000000014	0.423999999999999988	0.00121999999999999995	Soluble	-2.37999999999999989	1.42999999999999994	0.00412999999999999999	Soluble	High	No	No	No	No	No	No	No	-7.40000000000000036	0	0	0	0	0	0.550000000000000044
1338	360.399999999999977	C20H24O6	\N	\N	1	C/C=C(\\C(=O)O[C@H]1[C@H]2[C@H](OC(=O)C2=C)[C@@H]([C@H]([C@H]2[C@@]1(C)C(=O)C=C2)C)O)/C	26	0	0.550000000000000044	3	6	1	94.1599999999999966	89.9000000000000057	2.43999999999999995	2.20999999999999996	1.72999999999999998	1.71999999999999997	2.04000000000000004	2.0299999999999998	-3.27000000000000002	0.194000000000000006	0.000538999999999999983	Soluble	-3.72999999999999998	0.0666999999999999954	0.000184999999999999997	Soluble	-1.95999999999999996	3.99000000000000021	0.0111000000000000005	Soluble	High	No	No	No	No	No	No	No	-6.92999999999999972	0	0	0	0	0	0.550000000000000044
1339	358.389999999999986	C20H22O6	\N	\N	1	CC(=CC(=O)O[C@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C(=O)[C@H]([C@H]2[C@@]1(C)C(=O)C=C2)C)C	26	0	0.5	3	6	0	93.2000000000000028	86.7399999999999949	2.20999999999999996	2.60000000000000009	1.93999999999999995	1.6399999999999999	2.62999999999999989	2.20000000000000018	-3.5	0.113000000000000003	0.000315000000000000013	Soluble	-4.07000000000000028	0.0304999999999999993	8.50000000000000061e-05	Moderately soluble	-2.64999999999999991	0.800000000000000044	0.00223000000000000021	Soluble	High	No	No	No	No	No	No	No	-6.63999999999999968	0	0	0	0	0	0.550000000000000044
1340	358.389999999999986	C20H22O6	\N	\N	1	C/C=C(/C(=O)O[C@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C(=O)[C@H]([C@H]2[C@@]1(C)C(=O)C=C2)C)\\C	26	0	0.5	3	6	0	93.2000000000000028	86.7399999999999949	2.25999999999999979	2.35000000000000009	1.93999999999999995	1.6399999999999999	2.62999999999999989	2.16000000000000014	-3.33999999999999986	0.162000000000000005	0.000451999999999999982	Soluble	-3.81000000000000005	0.0553000000000000019	0.000154000000000000003	Soluble	-2.64999999999999991	0.800000000000000044	0.00223000000000000021	Soluble	High	No	No	No	No	No	No	No	-6.82000000000000028	0	0	0	0	0	0.550000000000000044
1341	378.420000000000016	C20H26O7	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1C[C@@]2(C)O[C@](C[C@@H]2O)(C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O)/C	27	0	0.599999999999999978	3	7	2	96.5400000000000063	102.290000000000006	3.20999999999999996	1.12000000000000011	1.54000000000000004	1.40999999999999992	1.8600000000000001	1.83000000000000007	-2.68999999999999995	0.766000000000000014	0.00202000000000000009	Soluble	-2.85999999999999988	0.521000000000000019	0.00137999999999999993	Soluble	-1.8899999999999999	4.90000000000000036	0.0129	Soluble	High	No	Yes	No	No	No	No	No	-7.80999999999999961	0	0	0	0	0	0.550000000000000044
1342	346.420000000000016	C20H26O5	\N	\N	1	C/C=C(\\C(=O)O[C@H]1CC(=CC[C@@H](C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O)C)/C	25	0	0.5	3	5	1	95.8599999999999994	72.8299999999999983	3.00999999999999979	2.52000000000000002	3.00999999999999979	2.5299999999999998	2.72999999999999998	2.75999999999999979	-3.37999999999999989	0.14499999999999999	0.000418999999999999993	Soluble	-3.70000000000000018	0.0698000000000000009	0.000202000000000000004	Soluble	-2.5299999999999998	1.03000000000000003	0.00298000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-6.62000000000000011	0	0	0	0	0	0.550000000000000044
1343	348.389999999999986	C19H24O6	\N	\N	1	OCC1=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](CC(=CCC1)C)OC(=O)C(=C)CO	25	0	0.469999999999999973	5	6	2	92.2199999999999989	93.0600000000000023	2.37000000000000011	0.900000000000000022	1.59000000000000008	1.48999999999999999	2.18999999999999995	1.70999999999999996	-2.24000000000000021	2.02000000000000002	0.00579000000000000001	Soluble	-2.43999999999999995	1.27000000000000002	0.00364000000000000001	Soluble	-2.18999999999999995	2.2799999999999998	0.00653000000000000021	Soluble	High	No	No	No	No	No	No	No	-7.79000000000000004	0	0	0	0	0	0.550000000000000044
1345	306.350000000000023	C17H22O5	\N	\N	1	CC(=O)OCC1=CCCC(=C[C@@H]2[C@@H]([C@@H](C1)O)C(=C)C(=O)O2)C	22	0	0.530000000000000027	3	5	1	81.9099999999999966	72.8299999999999983	2.39000000000000012	1.17999999999999994	2.06000000000000005	1.91999999999999993	2.16999999999999993	1.93999999999999995	-2.2799999999999998	1.59000000000000008	0.00519000000000000017	Soluble	-2.31000000000000005	1.52000000000000002	0.00495000000000000041	Soluble	-2.31999999999999984	1.46999999999999997	0.00478999999999999999	Soluble	High	Yes	No	No	No	No	No	No	-7.33000000000000007	0	0	0	0	0	0.550000000000000044
1346	262.300000000000011	C15H18O4	\N	\N	1	O=C1O[C@@H]2[C@H](C1=C)CC[C@@H]([C@]1([C@@]2(C)C(=O)C=C1)O)C	19	0	0.599999999999999978	0	4	1	69.3499999999999943	63.6000000000000014	1.70999999999999996	0.770000000000000018	1.3899999999999999	1.53000000000000003	2.02000000000000002	1.47999999999999998	-1.94999999999999996	2.93000000000000016	0.0111999999999999999	Very soluble	-1.68999999999999995	5.41000000000000014	0.0206000000000000003	Very soluble	-2.12999999999999989	1.93999999999999995	0.00738000000000000028	Soluble	High	Yes	No	No	No	No	No	No	-7.34999999999999964	0	0	0	0	0	0.550000000000000044
1347	468.490000000000009	C23H32O10	\N	\N	1	CC(=O)OC[C@H]1O[C@@H](O[C@H]2CC(=O)[C@@]3([C@@H]2[C@H](C)C[C@@H]2[C@H](C3)C(=C)C(=O)O2)C)[C@@H]([C@H]([C@@H]1O)O)O	33	0	0.780000000000000027	5	10	3	111.909999999999997	148.819999999999993	2.70999999999999996	-0.190000000000000002	-0.130000000000000004	-0.190000000000000002	0.440000000000000002	0.530000000000000027	-2.29000000000000004	2.37999999999999989	0.00506999999999999985	Soluble	-2.47999999999999998	1.55000000000000004	0.00332000000000000003	Soluble	-1.05000000000000004	41.6000000000000014	0.0887000000000000011	Soluble	Low	No	Yes	No	No	No	No	No	-9.28999999999999915	0	0	1	1	0	0.550000000000000044
1348	338.350000000000023	C17H22O7	\N	\N	1	OO[C@@H]1CC[C@@]2(C)O[C@@H]2[C@@H]2[C@@H]([C@@H](CC1=C)OC(=O)C)C(=C)C(=O)O2	24	0	0.650000000000000022	3	7	1	82.8900000000000006	94.5900000000000034	1.93999999999999995	0.92000000000000004	1.77000000000000002	1.19999999999999996	1.58000000000000007	1.47999999999999998	-2.31999999999999984	1.62000000000000011	0.00478999999999999999	Soluble	-2.49000000000000021	1.09000000000000008	0.00322000000000000021	Soluble	-1.78000000000000003	5.58000000000000007	0.0165000000000000008	Soluble	High	No	No	No	No	No	No	No	-7.70999999999999996	0	0	0	0	0	0.550000000000000044
1349	374.430000000000007	C21H26O6	\N	\N	1	CCO[C@]12C=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H](O2)C(=C1)C)OC(=O)C3=C)OC(=O)C(=C)C	27	0	0.520000000000000018	5	6	0	99.5999999999999943	71.0600000000000023	3.64999999999999991	2.50999999999999979	3	2.35000000000000009	3.06000000000000005	2.91000000000000014	-3.41000000000000014	0.14499999999999999	0.000386999999999999974	Soluble	-3.64999999999999991	0.0841999999999999971	0.000224999999999999994	Soluble	-3.31000000000000005	0.185999999999999999	0.000494999999999999997	Soluble	High	Yes	No	No	No	Yes	No	No	-6.79999999999999982	0	0	0	0	0	0.550000000000000044
1350	310.300000000000011	C15H18O7	\N	\N	1	O=C1O[C@@H]2[C@H]([C@H]1[C@]1(O)C[C@@H]3[C@]4([C@@]1([C@@H]2OC4=O)C)O3)C(O)(C)C	22	0	0.869999999999999996	1	7	2	69.480000000000004	105.590000000000003	1.43999999999999995	-0.819999999999999951	-0.869999999999999996	0.0800000000000000017	0.709999999999999964	0.110000000000000001	-1.17999999999999994	20.3999999999999986	0.0659000000000000002	Very soluble	-0.92000000000000004	37.5	0.120999999999999996	Very soluble	-0.770000000000000018	52.6000000000000014	0.169000000000000011	Soluble	High	No	Yes	No	No	No	No	No	-8.77999999999999936	0	1	0	0	0	0.550000000000000044
1351	292.279999999999973	C15H16O6	\N	\N	1	CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1([C@]3([C@@H]2OC(=O)[C@]23[C@@H](C1)O2)C)O	21	0	0.729999999999999982	1	6	1	67.8100000000000023	85.3599999999999994	1.79000000000000004	0.510000000000000009	-0.0599999999999999978	0.790000000000000036	1.47999999999999998	0.900000000000000022	-1.90999999999999992	3.62000000000000011	0.0123999999999999996	Very soluble	-1.87000000000000011	3.91999999999999993	0.0134000000000000005	Very soluble	-1.3600000000000001	12.5999999999999996	0.0432000000000000023	Soluble	High	No	Yes	No	No	No	No	No	-7.71999999999999975	0	0	0	0	0	0.550000000000000044
1353	264.319999999999993	C15H20O4	\N	\N	1	C[C@@H]1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C	19	0	0.729999999999999982	0	4	1	69.7900000000000063	63.6000000000000014	1.98999999999999999	0.530000000000000027	1.33000000000000007	1.62000000000000011	1.35000000000000009	1.3600000000000001	-1.81000000000000005	4.07000000000000028	0.0154000000000000005	Very soluble	-1.43999999999999995	9.66999999999999993	0.0366000000000000006	Very soluble	-1.44999999999999996	9.33999999999999986	0.035299999999999998	Soluble	High	Yes	No	No	No	No	No	No	-7.54000000000000004	0	0	0	0	0	0.550000000000000044
1354	436.5	C23H32O8	\N	\N	1	CC(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)C(C)C)C[C@]([C@H]1[C@H]2C(=CC1)C)(C)OC(=O)C	31	0	0.739999999999999991	7	8	0	111.079999999999998	105.200000000000003	3.60000000000000009	2.75	2.72999999999999998	2.49000000000000021	2.77000000000000002	2.87000000000000011	-3.81999999999999984	0.0666000000000000064	0.000152000000000000008	Soluble	-4.61000000000000032	0.0106	2.43000000000000011e-05	Moderately soluble	-3.12999999999999989	0.325000000000000011	0.000745000000000000002	Soluble	High	No	No	No	No	No	No	No	-7.00999999999999979	0	0	0	0	0	0.550000000000000044
1355	518.549999999999955	C27H34O10	\N	\N	1	OC/C=C(/C(=O)O[C@@H]1CC(=CC[C@@H](C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)OC(=O)C)C)\\COC(=O)/C(=C/C)/CO	37	0	0.479999999999999982	11	10	2	132.77000000000001	145.659999999999997	2.81000000000000005	1.1100000000000001	2.00999999999999979	1.44999999999999996	2.91999999999999993	2.06000000000000005	-3.0299999999999998	0.485999999999999988	0.000937000000000000007	Soluble	-3.75999999999999979	0.089700000000000002	0.000173000000000000004	Soluble	-2.4700000000000002	1.75	0.00338000000000000019	Soluble	Low	No	No	No	No	No	No	No	-8.67999999999999972	1	3	2	1	0	0.550000000000000044
1356	248.319999999999993	C15H20O3	\N	\N	1	O=C1O[C@H]2[C@@H](C1=C)C[C@@H]1C(=C(C2)C)CC[C@@]1(C)O	18	0	0.67000000000000004	0	3	1	69.4099999999999966	46.5300000000000011	2.41999999999999993	1.34000000000000008	2.35999999999999988	2.4700000000000002	2.72999999999999998	2.25999999999999979	-2.2200000000000002	1.47999999999999998	0.00596999999999999961	Soluble	-1.91999999999999993	2.99000000000000021	0.0120999999999999996	Very soluble	-2.68999999999999995	0.501000000000000001	0.00202000000000000009	Soluble	High	Yes	No	No	No	No	No	No	-6.86000000000000032	0	0	0	0	0	0.550000000000000044
1357	364.430000000000007	C20H28O6	\N	\N	1	OC/C=C(/C[C@H]([C@@H]1[C@@H](/C=C(/CO)\\C)OC(=O)C1=C)OC(=O)/C(=C\\C)/C)\\C	26	0	0.5	9	6	2	99.1400000000000006	93.0600000000000023	3.06000000000000005	2.68999999999999995	2.22999999999999998	1.71999999999999997	3.47999999999999998	2.64000000000000012	-3.20000000000000018	0.23000000000000001	0.00063100000000000005	Soluble	-4.29999999999999982	0.0183999999999999997	5.0500000000000001e-05	Moderately soluble	-2.12000000000000011	2.79999999999999982	0.00766999999999999973	Soluble	High	No	Yes	No	No	No	No	No	-6.61000000000000032	0	0	0	0	0	0.550000000000000044
1358	306.350000000000023	C17H22O5	\N	\N	1	CC(=O)O[C@@H]1C=C(C)CC[C@@H]2[C@](C[C@H]3[C@H]1C(=C)C(=O)O3)(C)O2	22	0	0.650000000000000022	2	5	0	80.2399999999999949	65.1299999999999955	2.10000000000000009	1.80000000000000004	2.29999999999999982	2	2.64999999999999991	2.16999999999999993	-2.74000000000000021	0.55600000000000005	0.00180999999999999998	Soluble	-2.79000000000000004	0.501000000000000001	0.00162999999999999994	Soluble	-2.62000000000000011	0.737999999999999989	0.00240999999999999982	Soluble	High	Yes	No	No	No	No	No	No	-6.88999999999999968	0	0	0	0	0	0.550000000000000044
1360	348.389999999999986	C19H24O6	\N	\N	1	O=C1O[C@H]2[C@@H]([C@@H]1C)[C@H](OC(=O)C(=C)C)[C@]1([C@H]([C@@H]([C@H]2O)C)C=CC1=O)C	25	0	0.630000000000000004	3	6	1	89.8299999999999983	89.9000000000000057	1.65999999999999992	2.08999999999999986	1.41999999999999993	1.57000000000000006	1.54000000000000004	1.65999999999999992	-3.12000000000000011	0.265000000000000013	0.000760999999999999958	Soluble	-3.60999999999999988	0.0859000000000000041	0.000246999999999999986	Soluble	-1.69999999999999996	6.88999999999999968	0.0198000000000000016	Soluble	High	No	Yes	No	No	No	No	No	-6.94000000000000039	0	0	0	0	0	0.550000000000000044
1361	264.319999999999993	C15H20O4	\N	\N	1	O[C@H]1C[C@@H](O)C(=C)CC[C@@H]2[C@@H](C=C1C)OC(=O)C2=C	19	0	0.530000000000000027	0	4	2	72.1800000000000068	66.7600000000000051	1.75	-0.0800000000000000017	1.48999999999999999	1.53000000000000003	1.71999999999999997	1.28000000000000003	-1.42999999999999994	9.85999999999999943	0.0372999999999999998	Very soluble	-0.869999999999999996	35.6000000000000014	0.135000000000000009	Very soluble	-1.68999999999999995	5.45999999999999996	0.0206999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-7.96999999999999975	0	0	0	0	0	0.550000000000000044
1362	327.370000000000005	C19H21NO4	\N	\N	1	COc1cc2c(cc1O)C[C@H]1c3c2c(O)c(OC)cc3CCN1C	24	12	0.369999999999999996	2	5	2	96	62.1599999999999966	3.16000000000000014	2.24000000000000021	2.16000000000000014	1.75	2.95000000000000018	2.45000000000000018	-3.52000000000000002	0.0990999999999999936	0.000302999999999999992	Soluble	-3.18000000000000016	0.215999999999999998	0.000658999999999999972	Soluble	-4.58999999999999986	0.00841000000000000081	2.57000000000000013e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.70999999999999996	0	0	0	0	0	0.550000000000000044
1363	264.319999999999993	C15H20O4	\N	\N	1	OCC1=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](CC(=CCC1)C)O	19	0	0.530000000000000027	1	4	2	72.1800000000000068	66.7600000000000051	2.06999999999999984	0.609999999999999987	1.48999999999999999	1.53000000000000003	1.71999999999999997	1.47999999999999998	-1.80000000000000004	4.21999999999999975	0.0160000000000000003	Very soluble	-1.59000000000000008	6.84999999999999964	0.0258999999999999994	Very soluble	-1.68999999999999995	5.45999999999999996	0.0206999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-7.48000000000000043	0	0	0	0	0	0.550000000000000044
1364	594.700000000000045	C36H38N2O6	\N	\N	1	COc1cc2CCN([C@H]3c2c(c1O)Oc1ccc(cc1)C[C@H]1N(C)CCc2c1c(Oc1ccc(C3)cc1)c(O)c(c2)OC)C	44	24	0.330000000000000016	2	8	2	177.139999999999986	83.8599999999999994	4.48000000000000043	6.00999999999999979	5.15000000000000036	3.37000000000000011	4.95000000000000018	4.79000000000000004	-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
1365	248.319999999999993	C15H20O3	\N	\N	1	CC1=CC[C@H]([C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2)C)O	18	0	0.67000000000000004	0	3	1	69.1200000000000045	46.5300000000000011	2.4700000000000002	1.98999999999999999	2.20999999999999996	2.4700000000000002	2.33999999999999986	2.29999999999999982	-2.62999999999999989	0.577999999999999958	0.00233000000000000004	Soluble	-2.58999999999999986	0.633000000000000007	0.00255000000000000018	Soluble	-2.25	1.40999999999999992	0.00568000000000000015	Soluble	High	Yes	No	No	No	No	No	No	-6.40000000000000036	0	0	0	0	0	0.550000000000000044
1366	246.300000000000011	C15H18O3	\N	\N	1	C[C@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C2=C(C)C(=O)C=C1)C	18	0	0.599999999999999978	0	3	0	68.1500000000000057	43.3699999999999974	2.25999999999999979	2.29000000000000004	2.41999999999999993	2.37999999999999989	2.64000000000000012	2.39999999999999991	-2.81000000000000005	0.382000000000000006	0.00154999999999999995	Soluble	-2.83999999999999986	0.356999999999999984	0.0014499999999999999	Soluble	-2.68999999999999995	0.501000000000000001	0.00203000000000000012	Soluble	High	Yes	No	No	No	No	No	No	-6.17999999999999972	0	0	0	0	0	0.550000000000000044
1367	285.379999999999995	C18H23NO2	\N	\N	1	CO[C@H]1C=C[C@@H]2[C@]3(C1)N(CC2)CCc1c3cc(OC)cc1	21	6	0.560000000000000053	2	3	0	87.0900000000000034	21.6999999999999993	3.25999999999999979	2.47999999999999998	2.25	2.56000000000000005	2.68000000000000016	2.64999999999999991	-3.25	0.160000000000000003	0.000560999999999999975	Soluble	-2.58000000000000007	0.75	0.00262999999999999996	Soluble	-3.81000000000000005	0.0439000000000000015	0.000154000000000000003	Soluble	High	Yes	No	No	No	No	Yes	No	-6.28000000000000025	0	0	0	0	0	0.550000000000000044
1368	346.370000000000005	C19H22O6	\N	\N	1	OCC(=C)C(=O)O[C@@H]1CC(=C)[C@H]2[C@@H]([C@@H]3[C@H]1C(=C)C(=O)O3)C(=C)[C@H](C2)O	25	0	0.469999999999999973	4	6	2	90.0999999999999943	93.0600000000000023	2.52000000000000002	0.640000000000000013	1.06000000000000005	1.48999999999999999	2.06000000000000005	1.55000000000000004	-2.12999999999999989	2.58999999999999986	0.00747000000000000008	Soluble	-2.16999999999999993	2.33999999999999986	0.00676999999999999998	Soluble	-1.96999999999999997	3.75	0.0108000000000000006	Soluble	High	No	No	No	No	No	No	No	-7.95999999999999996	0	0	0	0	0	0.550000000000000044
1369	276.329999999999984	C16H20O4	\N	\N	1	COC(=O)C1=CC[C@H]2[C@H](CC(=CCC1)C)OC(=O)C2=C	20	0	0.5	2	4	0	75.9500000000000028	52.6000000000000014	2.79000000000000004	2.62999999999999989	2.70000000000000018	2.5	2.68000000000000016	2.66000000000000014	-3.08000000000000007	0.231000000000000011	0.000835000000000000022	Soluble	-3.37999999999999989	0.114000000000000004	0.000411999999999999986	Soluble	-2.72999999999999998	0.51100000000000001	0.00185000000000000008	Soluble	High	Yes	No	No	No	Yes	No	No	-6.12000000000000011	0	0	0	0	0	0.550000000000000044
1370	341.399999999999977	C20H23NO4	\N	\N	1	COc1ccc2c(c1O)c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3	25	12	0.400000000000000022	3	5	1	100.469999999999999	51.1599999999999966	3.33999999999999986	2.56999999999999984	2.45999999999999996	1.97999999999999998	3.49000000000000021	2.77000000000000002	-3.72999999999999998	0.0631000000000000033	0.000184999999999999997	Soluble	-3.29000000000000004	0.173999999999999988	0.000510000000000000037	Soluble	-5.28000000000000025	0.0017799999999999999	5.20000000000000019e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.55999999999999961	0	0	0	0	0	0.550000000000000044
1372	516.539999999999964	C27H32O10	\N	\N	1	C/C=C(/C(=O)O[C@@H]1C[C@]2(CO2)[C@H]2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=C[C@H]2OC(=O)C)C)\\COC(=O)/C(=C/C)/CO	37	0	0.560000000000000053	10	10	1	128.97999999999999	137.960000000000008	3.66000000000000014	1.25	1.71999999999999997	1.53000000000000003	3.08000000000000007	2.25	-3.16999999999999993	0.348999999999999977	0.000675999999999999952	Soluble	-3.75	0.0927999999999999936	0.000180000000000000011	Soluble	-2.43000000000000016	1.93999999999999995	0.00374999999999999986	Soluble	High	No	No	No	No	No	No	No	-8.5600000000000005	1	1	0	1	0	0.550000000000000044
1373	262.300000000000011	C15H18O4	\N	\N	1	C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)[C@@]12CO1	19	0	0.729999999999999982	0	4	0	67.6400000000000006	55.8999999999999986	1.8899999999999999	1.68999999999999995	1.48999999999999999	1.62000000000000011	2.2799999999999998	1.79000000000000004	-2.5299999999999998	0.77200000000000002	0.00293999999999999991	Soluble	-2.47999999999999998	0.870999999999999996	0.00332000000000000003	Soluble	-2.10000000000000009	2.06999999999999984	0.00791000000000000036	Soluble	High	Yes	No	No	No	No	No	No	-6.70000000000000018	0	0	0	0	0	0.550000000000000044
1374	338.379999999999995	C20H20NO4	\N	\N	1	COc1cc2c(cc1O)CC[n+]1c2cc2ccc(c(c2c1)OC)OC	25	16	0.25	3	4	1	97.3299999999999983	51.7999999999999972	-0.149999999999999994	3.41999999999999993	3.08000000000000007	1.78000000000000003	3.43000000000000016	2.31000000000000005	-4.37000000000000011	0.0145000000000000007	4.27999999999999968e-05	Moderately soluble	-4.19000000000000039	0.0219999999999999987	6.49000000000000054e-05	Moderately soluble	-5.71999999999999975	0.000640000000000000052	1.8899999999999999e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-5.94000000000000039	0	0	0	0	0	0.550000000000000044
1375	348.389999999999986	C19H24O6	\N	\N	1	O=C(C(C)C)O[C@@H]1C[C@]2(C)C=C[C@@](O2)(C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O	25	0	0.57999999999999996	3	6	1	90.5799999999999983	82.0600000000000023	2.7200000000000002	1.70999999999999996	2.04000000000000004	1.97999999999999998	2.10000000000000009	2.10999999999999988	-2.87999999999999989	0.46000000000000002	0.00131999999999999999	Soluble	-3.04999999999999982	0.310999999999999999	0.000893000000000000022	Soluble	-2.20999999999999996	2.16999999999999993	0.00621999999999999983	Soluble	High	No	No	No	No	No	No	No	-7.20999999999999996	0	0	0	0	0	0.550000000000000044
1376	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
1377	248.319999999999993	C15H20O3	\N	\N	1	CC1=C[C@@H]2OC(=O)C(=C)[C@H]2CCC(=C[C@H](C1)O)C	18	0	0.530000000000000027	0	3	1	71.019999999999996	46.5300000000000011	2.37000000000000011	0.979999999999999982	2.52000000000000002	2.37999999999999989	2.33999999999999986	2.12000000000000011	-2	2.5	0.0100999999999999996	Very soluble	-1.55000000000000004	7.08000000000000007	0.028500000000000001	Very soluble	-2.25	1.40999999999999992	0.00568000000000000015	Soluble	High	Yes	No	No	No	No	No	No	-7.12000000000000011	0	0	0	0	0	0.550000000000000044
1378	306.350000000000023	C17H22O5	\N	\N	1	C[C@@H]1C[C@@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@]2([C@H]1C=CC2=O)C)O[C@@]3(C)O)C	22	0	0.760000000000000009	0	5	1	78.1500000000000057	72.8299999999999983	2.14999999999999991	0.299999999999999989	1.43999999999999995	1.68999999999999995	1.68999999999999995	1.44999999999999996	-1.92999999999999994	3.60999999999999988	0.0117999999999999997	Very soluble	-1.3899999999999999	12.4000000000000004	0.0405999999999999972	Very soluble	-2.04000000000000004	2.77000000000000002	0.00906000000000000034	Soluble	High	No	Yes	No	No	No	No	No	-7.95999999999999996	0	0	0	0	0	0.550000000000000044
1380	322.350000000000023	C17H22O6	\N	\N	1	CC(=O)OC[C@H]1CC[C@@H]2[C@H]([C@]3([C@@]1(O)CCC3=O)C)OC(=O)C2=C	23	0	0.709999999999999964	3	6	1	80.730000000000004	89.9000000000000057	1.90999999999999992	0.179999999999999993	1.15999999999999992	1.18999999999999995	2.27000000000000002	1.34000000000000008	-1.75	5.67999999999999972	0.0176000000000000011	Very soluble	-1.62999999999999989	7.62999999999999989	0.0236999999999999988	Very soluble	-2.66999999999999993	0.690999999999999948	0.00213999999999999998	Soluble	High	No	No	No	No	No	No	No	-8.14000000000000057	0	0	0	0	0	0.550000000000000044
1381	324.370000000000005	C17H24O6	\N	\N	1	OC[C@H]1CC[C@@H]2[C@H]([C@]3([C@@]1(O)CC[C@@H]3OC(=O)C)C)OC(=O)C2=C	23	0	0.760000000000000009	3	6	2	81.6899999999999977	93.0600000000000023	2.50999999999999979	1.52000000000000002	0.949999999999999956	1.28000000000000003	1.68999999999999995	1.59000000000000008	-2.60999999999999988	0.79500000000000004	0.00244999999999999992	Soluble	-3.08000000000000007	0.268000000000000016	0.00082600000000000002	Soluble	-1.96999999999999997	3.45000000000000018	0.0106	Soluble	High	No	Yes	No	No	No	No	No	-7.20000000000000018	0	0	0	0	0	0.550000000000000044
1404	392.439999999999998	C21H28O7	\N	\N	1	CC(=O)O[C@H]1C[C@H]2O[C@]2(C)C[C@H]([C@@H]2[C@@H](C=C1C)OC(=O)C2=C)OC(=O)C(C)C	28	0	0.67000000000000004	5	7	0	100.75	91.4300000000000068	3.33999999999999986	2.29999999999999982	2.47999999999999998	2.04000000000000004	2.87000000000000011	2.60999999999999988	-3.39000000000000012	0.159000000000000002	0.000404999999999999978	Soluble	-3.85999999999999988	0.054399999999999997	0.000138999999999999991	Soluble	-2.83999999999999986	0.564999999999999947	0.00144000000000000009	Soluble	High	No	No	No	No	No	No	No	-7.05999999999999961	0	0	0	0	0	0.550000000000000044
1382	650.75	C34H50O12	\N	\N	1	CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)/C(=C\\C)/C)C(=C2[C@H]1[C@@](C)(OC(=O)C)C[C@@H]([C@]1([C@H]2OC(=O)[C@@]1(C)O)O)OC(=O)CCC)C	46	0	0.739999999999999991	17	12	2	167.120000000000005	171.960000000000008	5.24000000000000021	3.56999999999999984	3.93000000000000016	2.24000000000000021	5.12000000000000011	4.01999999999999957	-5	0.00647999999999999965	9.95999999999999951e-06	Moderately soluble	-6.87000000000000011	8.83999999999999939e-05	1.36e-07	Poorly soluble	-5.28000000000000025	0.00340999999999999984	5.23999999999999981e-06	Moderately soluble	Low	No	No	No	Yes	No	No	No	-7.73000000000000043	2	3	2	1	4	0.170000000000000012
1383	248.319999999999993	C15H20O3	\N	\N	1	CC(=O)CCC1=CC[C@H]2[C@@H](C[C@@H]1C)OC(=O)C2=C	18	0	0.599999999999999978	3	3	0	70.5300000000000011	43.3699999999999974	2.39999999999999991	1.90999999999999992	2.81000000000000005	2.37999999999999989	3.14000000000000012	2.5299999999999998	-2.37999999999999989	1.02000000000000002	0.0041200000000000004	Soluble	-2.43999999999999995	0.893000000000000016	0.0035999999999999999	Soluble	-2.99000000000000021	0.254000000000000004	0.00102000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-6.45999999999999996	0	0	0	0	0	0.550000000000000044
1384	522.580000000000041	C27H38O10	\N	\N	1	CC[C@@H](C(=O)O[C@H]1C[C@](C)(OC(=O)C)[C@@H]2C(=C([C@@H](C2)OC(=O)/C(=C\\C)/C)C)[C@H]2[C@@]1(O)[C@](C)(O)C(=O)O2)C	37	0	0.699999999999999956	9	10	2	132.189999999999998	145.659999999999997	4.17999999999999972	1.55000000000000004	2.29000000000000004	1.68999999999999995	3.14000000000000012	2.56999999999999984	-3.45999999999999996	0.179999999999999993	0.000344999999999999983	Soluble	-4.21999999999999975	0.0316000000000000031	6.05000000000000001e-05	Moderately soluble	-3.20999999999999996	0.326000000000000012	0.000623999999999999989	Soluble	Low	No	No	No	No	No	No	Yes	-8.39000000000000057	1	3	1	1	0	0.550000000000000044
1385	290.350000000000023	C17H22O4	\N	\N	1	CC(=O)O[C@H]1CC(=CCCC(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)C	21	0	0.530000000000000027	2	4	0	80.75	52.6000000000000014	2.50999999999999979	2.43999999999999995	3.08999999999999986	2.75	2.77000000000000002	2.70999999999999996	-3.04999999999999982	0.262000000000000011	0.000901	Soluble	-3.18999999999999995	0.188	0.000648999999999999946	Soluble	-2.87999999999999989	0.378000000000000003	0.00129999999999999994	Soluble	High	Yes	No	No	No	No	No	No	-6.33999999999999986	0	0	0	0	0	0.550000000000000044
1387	322.350000000000023	C17H22O6	\N	\N	1	CC(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2CC[C@@]2([C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)O2)C	23	0	0.760000000000000009	2	6	0	79.7199999999999989	77.6599999999999966	2.18999999999999995	1.30000000000000004	1.51000000000000001	1.28000000000000003	2.50999999999999979	1.76000000000000001	-2.5299999999999998	0.960999999999999965	0.00298000000000000001	Soluble	-2.5299999999999998	0.948999999999999955	0.00293999999999999991	Soluble	-2.35000000000000009	1.43999999999999995	0.00447000000000000001	Soluble	High	No	No	No	No	No	No	No	-7.33999999999999986	0	0	0	0	0	0.550000000000000044
1388	294.300000000000011	C15H18O6	\N	\N	1	O=C1O[C@@H]2[C@H]([C@H]1[C@]1(O)[C@H]3O[C@H]3[C@@]3([C@@]1([C@@H]2O)C)CO3)C(=C)C	21	0	0.800000000000000044	1	6	2	68.769999999999996	91.8199999999999932	1.81000000000000005	-0.5	-0.619999999999999996	0.0700000000000000067	1.1399999999999999	0.380000000000000004	-1.28000000000000003	15.3000000000000007	0.0519999999999999976	Very soluble	-0.959999999999999964	32.2000000000000028	0.110000000000000001	Very soluble	-0.67000000000000004	62.8999999999999986	0.213999999999999996	Soluble	High	No	Yes	No	No	No	No	No	-8.44999999999999929	0	1	0	0	0	0.550000000000000044
1389	249.349999999999994	C15H23NO2	\N	\N	1	COc1cc2CCN([C@H](c2cc1O)CC(C)C)C	18	6	0.599999999999999978	3	3	1	78.4300000000000068	32.7000000000000028	3.12000000000000011	3.12999999999999989	2.27000000000000002	2.18999999999999995	2.79000000000000004	2.70000000000000018	-3.41000000000000014	0.097799999999999998	0.000391999999999999987	Soluble	-3.49000000000000021	0.081500000000000003	0.000326999999999999979	Soluble	-3.50999999999999979	0.0777999999999999942	0.000311999999999999994	Soluble	High	Yes	No	No	No	No	Yes	No	-5.59999999999999964	0	0	0	0	0	0.550000000000000044
1390	404.449999999999989	C22H28O7	\N	\N	1	CC(=O)O[C@H]1CC=C(C)C[C@H]([C@@H]2[C@H](C=C1C)OC(=O)C2=C)OC(=O)[C@]1(C)O[C@@H]1C	29	0	0.589999999999999969	5	7	0	105.079999999999998	91.4300000000000068	3.4700000000000002	2.20999999999999996	2.79000000000000004	2.16999999999999993	3.08000000000000007	2.75	-3.41000000000000014	0.157000000000000001	0.000389000000000000023	Soluble	-3.75999999999999979	0.0695999999999999952	0.000172000000000000007	Soluble	-3.08999999999999986	0.327000000000000013	0.00080900000000000004	Soluble	High	No	No	No	No	No	No	No	-7.20000000000000018	0	0	0	0	0	0.550000000000000044
1391	235.280000000000001	C13H17NO3	\N	\N	1	COc1cc2CCN([C@H](c2c2c1OCO2)C)C	17	6	0.540000000000000036	1	4	0	68.0499999999999972	30.9299999999999997	2.89999999999999991	1.97999999999999998	1.27000000000000002	1.5	2.2799999999999998	1.97999999999999998	-2.74000000000000021	0.426999999999999991	0.00180999999999999998	Soluble	-2.25999999999999979	1.31000000000000005	0.00555000000000000025	Soluble	-3	0.236999999999999988	0.00101000000000000005	Soluble	High	Yes	Yes	Yes	No	No	Yes	No	-6.33000000000000007	0	0	0	0	0	0.550000000000000044
1392	264.319999999999993	C15H20O4	\N	\N	1	O=C1OC[C@@]2([C@@H](C1)[C@H](C)C[C@H]1[C@H](C2)C(=C)C(=O)O1)C	19	0	0.729999999999999982	0	4	0	69.7099999999999937	52.6000000000000014	2.14999999999999991	2.39999999999999991	2.08000000000000007	2.43000000000000016	2.56000000000000005	2.31999999999999984	-2.99000000000000021	0.270000000000000018	0.00102000000000000007	Soluble	-3.14999999999999991	0.189000000000000001	0.000714000000000000008	Soluble	-2.68999999999999995	0.533000000000000029	0.00202000000000000009	Soluble	High	Yes	No	No	No	No	No	No	-6.20999999999999996	0	0	0	0	0	0.550000000000000044
1394	360.360000000000014	C19H20O7	\N	\N	1	OCC(=C)C(=O)O[C@H]1C[C@]2(C=C)COC(=O)C(=C)[C@@H]2[C@@H]2[C@@H]1C(=C)C(=O)O2	26	0	0.419999999999999984	5	7	1	89.9699999999999989	99.1299999999999955	2.29000000000000004	0.309999999999999998	0.849999999999999978	1.41999999999999993	2.5299999999999998	1.47999999999999998	-1.93999999999999995	4.13999999999999968	0.0114999999999999998	Very soluble	-1.94999999999999996	4	0.0111000000000000005	Very soluble	-2.39000000000000012	1.45999999999999996	0.00406000000000000024	Soluble	High	No	No	No	No	No	No	No	-8.27999999999999936	0	0	0	0	0	0.550000000000000044
1395	392.399999999999977	C20H24O8	\N	\N	1	COC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)CO)C[C@]2([C@@H]([C@H]1O)C(=C)C(=O)OC2)C=C	28	0	0.450000000000000011	8	8	2	98.0499999999999972	119.359999999999999	2.25	1.16999999999999993	0.46000000000000002	0.859999999999999987	2.12000000000000011	1.37000000000000011	-2.47999999999999998	1.29000000000000004	0.00329999999999999998	Soluble	-3.27000000000000002	0.209999999999999992	0.000534999999999999994	Soluble	-1.75	7.03000000000000025	0.0178999999999999992	Soluble	High	No	No	No	No	No	No	No	-7.86000000000000032	0	0	0	0	0	0.550000000000000044
1396	328.399999999999977	C20H24O4	\N	\N	1	CC(=CC(=O)O[C@H]1C[C@@H]2[C@H](C1=C)[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C)C	24	0	0.5	3	4	0	92.5900000000000034	52.6000000000000014	3.02000000000000002	3.33999999999999986	3.5	3.35999999999999988	3.7799999999999998	3.39999999999999991	-3.7799999999999998	0.0541999999999999982	0.000164999999999999999	Soluble	-4.12000000000000011	0.0247999999999999991	7.55999999999999945e-05	Moderately soluble	-3.37000000000000011	0.140000000000000013	0.000426000000000000001	Soluble	High	Yes	No	No	No	Yes	No	Yes	-5.92999999999999972	0	0	0	0	0	0.550000000000000044
1397	408.439999999999998	C21H28O8	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@H](C2=C)[C@H]2OC(=O)C(=C)[C@@H]2CCC3=C)[C@@H]([C@H]([C@@H]1O)O)O	29	0	0.67000000000000004	3	8	4	101.290000000000006	125.680000000000007	2.20000000000000018	-0.270000000000000018	-0.190000000000000002	0.119999999999999996	0.390000000000000013	0.450000000000000011	-2	4.04000000000000004	0.00990000000000000081	Soluble	-1.90999999999999992	5.01999999999999957	0.0123000000000000002	Very soluble	-0.57999999999999996	108	0.264000000000000012	Soluble	High	No	Yes	No	No	No	No	No	-8.98000000000000043	0	0	0	0	0	0.550000000000000044
1398	609.730000000000018	C37H41N2O6	\N	\N	1	COc1cc2CCN([C@@H]3c2cc1Oc1c(O)c(OC)cc2c1[C@@H](Cc1ccc(Oc4cc(C3)ccc4O)cc1)[N+](CC2)(C)C)C	45	24	0.349999999999999978	2	7	2	183	80.6200000000000045	1.12000000000000011	6.03000000000000025	5.29000000000000004	-0.130000000000000004	5.03000000000000025	3.4700000000000002	-7.67999999999999972	1.27000000000000004e-05	2.0800000000000001e-08	Poorly soluble	-7.5	1.91999999999999991e-05	3.14999999999999975e-08	Poorly soluble	-10.5199999999999996	1.82999999999999984e-08	2.99999999999999998e-11	Insoluble	High	No	No	No	No	No	No	No	-5.74000000000000021	1	3	0	0	2	0.550000000000000044
1399	342.410000000000025	C20H24NO4	\N	\N	1	COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3	25	12	0.400000000000000022	2	4	2	101.870000000000005	58.9200000000000017	-0.699999999999999956	2.74000000000000021	2.31000000000000005	-1.70999999999999996	3.00999999999999979	1.12999999999999989	-3.91000000000000014	0.0418999999999999997	0.000121999999999999997	Soluble	-3.62999999999999989	0.0798999999999999988	0.000232999999999999999	Soluble	-5.69000000000000039	0.000703999999999999982	2.06000000000000018e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	No	Yes	-6.44000000000000039	0	0	0	0	0	0.550000000000000044
1400	276.279999999999973	C15H16O5	\N	\N	1	C=C[C@]12COC(=O)C(=C)[C@@H]2[C@@H]2[C@@H]([C@H](C1)O)C(=C)C(=O)O2	20	0	0.469999999999999973	1	5	1	69.9300000000000068	72.8299999999999983	1.6100000000000001	0.309999999999999998	0.75	1.41999999999999993	2.04999999999999982	1.22999999999999998	-1.67999999999999994	5.74000000000000021	0.020799999999999999	Very soluble	-1.39999999999999991	10.9000000000000004	0.0396000000000000033	Very soluble	-1.89999999999999991	3.50999999999999979	0.0126999999999999995	Soluble	High	No	No	No	No	No	No	No	-7.76999999999999957	0	0	0	0	0	0.550000000000000044
1402	276.279999999999973	C15H16O5	\N	\N	1	C=C[C@]12COC(=O)C(=C)[C@@H]2[C@H]([C@H]2[C@H](C1)OC(=O)C2=C)O	20	0	0.469999999999999973	1	5	1	69.9300000000000068	72.8299999999999983	1.80000000000000004	1.34000000000000008	0.75	1.41999999999999993	2.04999999999999982	1.46999999999999997	-2.33000000000000007	1.29000000000000004	0.00466000000000000008	Soluble	-2.4700000000000002	0.934000000000000052	0.00338000000000000019	Soluble	-1.89999999999999991	3.50999999999999979	0.0126999999999999995	Soluble	High	No	No	No	No	No	No	No	-7.03000000000000025	0	0	0	0	0	0.550000000000000044
1403	364.389999999999986	C19H24O7	\N	\N	1	O=C(C(C)C)O[C@H]1C[C@]23O[C@@H]3CCC(=C[C@@H]3[C@@H]1C(=C)C(=O)O3)CO[C@H]2O	26	0	0.680000000000000049	3	7	1	89.980000000000004	94.5900000000000034	2.64999999999999991	1.01000000000000001	1.25	1.27000000000000002	1.84000000000000008	1.60000000000000009	-2.54000000000000004	1.06000000000000005	0.0028999999999999998	Soluble	-2.58999999999999986	0.945999999999999952	0.00259999999999999988	Soluble	-1.72999999999999998	6.79000000000000004	0.0185999999999999985	Soluble	High	No	No	No	No	No	No	No	-7.80999999999999961	0	0	0	0	0	0.550000000000000044
1405	306.350000000000023	C17H22O5	\N	\N	1	CC(=O)O[C@H]1CC(=C)[C@H]2[C@@H]([C@@H]3[C@@H]1[C@H](C)C(=O)O3)[C@]1([C@@H](C2)O1)C	22	0	0.760000000000000009	2	5	0	78.5999999999999943	65.1299999999999955	2.37000000000000011	1.56000000000000005	1.85000000000000009	2.08999999999999986	2.25	2.0299999999999998	-2.58999999999999986	0.787000000000000033	0.0025699999999999998	Soluble	-2.54000000000000004	0.888000000000000012	0.0028999999999999998	Soluble	-2.16999999999999993	2.08000000000000007	0.00679000000000000003	Soluble	High	Yes	No	No	No	No	No	No	-7.05999999999999961	0	0	0	0	0	0.550000000000000044
1406	295.329999999999984	C18H17NO3	\N	\N	1	CN1CCc2c3[C@@H]1Cc1ccc(cc1c3c1c(c2)OCO1)O	22	12	0.330000000000000016	0	4	1	87.0600000000000023	41.9299999999999997	2.64999999999999991	2.95000000000000018	2.16999999999999993	2.49000000000000021	3.24000000000000021	2.70000000000000018	-3.93000000000000016	0.0344	0.000116999999999999998	Soluble	-3.49000000000000021	0.0948999999999999982	0.000320999999999999996	Soluble	-4.67999999999999972	0.00617999999999999973	2.08999999999999998e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.00999999999999979	0	0	0	0	0	0.550000000000000044
1407	622.75	C38H42N2O6	\N	\N	1	COc1c(OC)cc2c3c1Oc1cc4CCN([C@H](c4cc1OC)Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C	46	24	0.369999999999999996	4	8	0	186.069999999999993	61.8599999999999994	4.87999999999999989	6.66000000000000014	5.75	3.72999999999999998	6.05999999999999961	5.41999999999999993	-8.01999999999999957	5.95999999999999969e-06	9.57000000000000066e-09	Poorly soluble	-7.75999999999999979	1.07999999999999999e-05	1.72999999999999994e-08	Poorly soluble	-10.8000000000000007	9.78000000000000056e-09	1.57000000000000014e-11	Insoluble	High	No	No	No	No	No	No	No	-5.37000000000000011	1	4	0	0	2	0.550000000000000044
1409	413.420000000000016	C22H23NO7	\N	\N	1	COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1c(OC)c1c(c2)OCO1	30	12	0.409999999999999976	4	8	0	109.879999999999995	75.6899999999999977	3.58999999999999986	2.70999999999999996	1.85000000000000009	1.68999999999999995	3.20000000000000018	2.60999999999999988	-4.13999999999999968	0.0298000000000000001	7.20000000000000018e-05	Moderately soluble	-3.95000000000000018	0.0461000000000000021	0.000111000000000000001	Soluble	-5.23000000000000043	0.00240999999999999982	5.83000000000000009e-06	Moderately soluble	High	No	No	No	Yes	Yes	Yes	Yes	-6.90000000000000036	0	0	0	0	0	0.550000000000000044
1410	399.389999999999986	C21H21NO7	\N	\N	1	COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1c(O)c1c(c2)OCO1	29	12	0.380000000000000004	3	8	1	105.409999999999997	86.6899999999999977	3.16999999999999993	2.37999999999999989	1.55000000000000004	1.47999999999999998	2.66000000000000014	2.25	-3.91999999999999993	0.0476000000000000034	0.000119000000000000006	Soluble	-3.83999999999999986	0.0575000000000000025	0.000144000000000000004	Soluble	-4.54000000000000004	0.0114000000000000004	2.86000000000000006e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-7.04999999999999982	0	0	0	0	0	0.550000000000000044
1411	299.360000000000014	C18H21NO3	\N	\N	1	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)C4=CC[C@@H]1O)C	22	6	0.560000000000000053	1	4	1	86.7399999999999949	41.9299999999999997	3.00999999999999979	1.59000000000000008	1.26000000000000001	1.97999999999999998	2.25	2.02000000000000002	-2.83000000000000007	0.439000000000000001	0.00146999999999999995	Soluble	-2.08000000000000007	2.47999999999999998	0.00829000000000000049	Soluble	-3.20999999999999996	0.182999999999999996	0.000610999999999999998	Soluble	High	Yes	Yes	No	No	No	Yes	No	-7	0	0	0	0	0	0.550000000000000044
1412	348.370000000000005	C21H18NO4	\N	\N	1	COc1cc2c[n+](C)c3c(c2cc1OC)ccc1c3cc2OCOc2c1	26	18	0.190000000000000002	2	4	0	101.599999999999994	40.7999999999999972	-0.160000000000000003	4.58000000000000007	3.7200000000000002	2.5299999999999998	4.08000000000000007	2.95000000000000018	-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	No	No	Yes	-5.16999999999999993	0	0	0	0	0	0.550000000000000044
1413	622.75	C38H42N2O6	\N	\N	1	COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc(c1OC)OC)C	46	24	0.369999999999999996	4	8	0	186.069999999999993	61.8599999999999994	5.19000000000000039	6.66000000000000014	5.75	3.72999999999999998	6.05999999999999961	5.48000000000000043	-8.01999999999999957	5.95999999999999969e-06	9.57000000000000066e-09	Poorly soluble	-7.75999999999999979	1.07999999999999999e-05	1.72999999999999994e-08	Poorly soluble	-10.8000000000000007	9.78000000000000056e-09	1.57000000000000014e-11	Insoluble	High	No	No	No	No	No	No	No	-5.37000000000000011	1	4	0	0	2	0.550000000000000044
1414	351.399999999999977	C21H21NO4	\N	\N	1	COc1cc2c(cc1O)CCN([C@@]12Cc2c(C1=C)ccc1c2OCO1)C	26	12	0.330000000000000016	1	5	1	102.420000000000002	51.1599999999999966	3.31000000000000005	3.16999999999999993	2.58999999999999986	2.5299999999999998	3.85000000000000009	3.08999999999999986	-4.29000000000000004	0.0179999999999999986	5.1100000000000002e-05	Moderately soluble	-3.91999999999999993	0.0427000000000000018	0.000121999999999999997	Soluble	-5.66000000000000014	0.000770999999999999984	2.19000000000000021e-06	Moderately soluble	High	Yes	Yes	Yes	No	Yes	Yes	Yes	-6.19000000000000039	0	0	0	0	0	0.550000000000000044
1416	353.370000000000005	C20H19NO5	\N	\N	1	COc1cc2CCN([C@]3(c2cc1O)Cc1c(C3=O)c2OCOc2cc1)C	26	12	0.349999999999999978	1	6	1	97.7099999999999937	68.230000000000004	2.99000000000000021	2.7799999999999998	1.76000000000000001	1.48999999999999999	3.16000000000000014	2.43999999999999995	-4.05999999999999961	0.0309000000000000004	8.74999999999999991e-05	Moderately soluble	-3.87000000000000011	0.0478000000000000022	0.000135000000000000002	Soluble	-5.16000000000000014	0.00243999999999999989	6.90000000000000001e-06	Moderately soluble	High	Yes	Yes	Yes	No	Yes	Yes	Yes	-6.48000000000000043	0	0	0	0	0	0.550000000000000044
1417	264.319999999999993	C15H20O4	\N	\N	1	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@](C)(O)C=CC1=O)C	19	0	0.729999999999999982	0	4	1	69.8299999999999983	63.6000000000000014	1.85000000000000009	1.25	1.46999999999999997	1.62000000000000011	1.75	1.59000000000000008	-2.27000000000000002	1.42999999999999994	0.00542000000000000034	Soluble	-2.18000000000000016	1.72999999999999998	0.00655000000000000027	Soluble	-1.89999999999999991	3.31999999999999984	0.0126000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-7.01999999999999957	0	0	0	0	0	0.550000000000000044
1418	246.300000000000011	C15H18O3	\N	\N	1	CC(=O)/C=C/C1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C	18	0	0.469999999999999973	2	3	0	70.0499999999999972	43.3699999999999974	2.47999999999999998	2.10999999999999988	2.58999999999999986	2.29000000000000004	2.95999999999999996	2.49000000000000021	-2.56000000000000005	0.672000000000000042	0.00272999999999999979	Soluble	-2.64999999999999991	0.549000000000000044	0.00223000000000000021	Soluble	-2.27000000000000002	1.32000000000000006	0.00536000000000000018	Soluble	High	Yes	No	No	No	No	No	No	-6.29999999999999982	0	0	0	0	0	0.550000000000000044
1419	306.350000000000023	C17H22O5	\N	\N	1	CC(=O)C[C@H](C1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C)OC(=O)C	22	0	0.589999999999999969	5	5	0	81.4300000000000068	69.6700000000000017	2.4700000000000002	1.37999999999999989	2.35000000000000009	1.91999999999999993	2.85000000000000009	2.18999999999999995	-2.2799999999999998	1.6100000000000001	0.00525999999999999992	Soluble	-2.45000000000000018	1.10000000000000009	0.00357999999999999985	Soluble	-2.68999999999999995	0.622999999999999998	0.00203000000000000012	Soluble	High	Yes	No	No	No	No	No	No	-7.19000000000000039	0	0	0	0	0	0.550000000000000044
1420	306.350000000000023	C17H22O5	\N	\N	1	CC(=O)C[C@H](C1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)C2=C)OC(=O)C	22	0	0.589999999999999969	5	5	0	81.4300000000000068	69.6700000000000017	2.4700000000000002	1.37999999999999989	2.35000000000000009	1.91999999999999993	2.85000000000000009	2.18999999999999995	-2.2799999999999998	1.6100000000000001	0.00525999999999999992	Soluble	-2.45000000000000018	1.10000000000000009	0.00357999999999999985	Soluble	-2.68999999999999995	0.622999999999999998	0.00203000000000000012	Soluble	High	Yes	No	No	No	No	No	No	-7.19000000000000039	0	0	0	0	0	0.550000000000000044
1421	237.289999999999992	C13H19NO3	\N	\N	1	COc1c(OC)cc2c(c1O)[C@@H](C)N(CC2)C	17	6	0.540000000000000036	2	4	1	70.5	41.9299999999999997	2.64000000000000012	1.78000000000000003	1.25	1.09000000000000008	1.87999999999999989	1.72999999999999998	-2.56000000000000005	0.651000000000000023	0.00273999999999999981	Soluble	-2.2799999999999998	1.25	0.00525999999999999992	Soluble	-2.79000000000000004	0.380000000000000004	0.00160000000000000008	Soluble	High	Yes	No	No	No	No	No	No	-6.48000000000000043	0	0	0	0	0	0.550000000000000044
1423	246.300000000000011	C15H18O3	\N	\N	1	O[C@H]1C[C@@H]2[C@H](C1=C)[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C	18	0	0.530000000000000027	0	3	1	68.9000000000000057	46.5300000000000011	2.25999999999999979	1.32000000000000006	1.98999999999999999	2.37999999999999989	2.5	2.08999999999999986	-2.20000000000000018	1.56000000000000005	0.00632999999999999969	Soluble	-1.89999999999999991	3.10999999999999988	0.0126000000000000001	Very soluble	-2.27000000000000002	1.31000000000000005	0.00532000000000000008	Soluble	High	Yes	No	No	No	No	No	No	-6.87000000000000011	0	0	0	0	0	0.550000000000000044
1424	364.389999999999986	C19H24O7	\N	\N	1	CC(=C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](C[C@@H]2O)(C(=C[C@@H]2[C@@H]1C(=C)C(=O)O2)C)O	26	0	0.57999999999999996	3	7	2	91.7399999999999949	102.290000000000006	2.74000000000000021	0.890000000000000013	1.14999999999999991	1.17999999999999994	1.62999999999999989	1.52000000000000002	-2.45999999999999996	1.26000000000000001	0.00344999999999999994	Soluble	-2.62000000000000011	0.867999999999999994	0.00238000000000000017	Soluble	-1.87000000000000011	4.94000000000000039	0.0135999999999999992	Soluble	High	No	Yes	No	No	No	No	No	-7.88999999999999968	0	0	0	0	0	0.550000000000000044
1425	632.740000000000009	C39H40N2O6	\N	\N	1	COc1ccc(cc1Oc1ccc(cc1)Cc1[n+](C)ccc2c1cc(OC)c(c2)OC)Cc1[n+](C)ccc2c1cc(OC)c(c2)OC	47	32	0.23000000000000001	11	6	0	186.52000000000001	63.1400000000000006	-3.50999999999999979	7.83999999999999986	6.66000000000000014	3.29000000000000004	7.63999999999999968	4.38999999999999968	-8.48000000000000043	2.08999999999999989e-06	3.30999999999999994e-09	Poorly soluble	-9.00999999999999979	6.13999999999999966e-07	9.71000000000000059e-10	Poorly soluble	-12.5299999999999994	1.87999999999999997e-10	2.96999999999999997e-13	Insoluble	High	No	Yes	No	Yes	Yes	No	Yes	-4.58999999999999986	1	4	1	1	2	0.550000000000000044
1426	464.600000000000023	C28H36N2O4	\N	\N	1	CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1CC1=C2C=C(OC)C(=O)C=C2CCN1)cc(c(c3)OC)OC	34	6	0.540000000000000036	6	5	1	140.819999999999993	60.0300000000000011	4.03000000000000025	3.95999999999999996	3.24000000000000021	2.22999999999999998	4.23000000000000043	3.54000000000000004	-4.95000000000000018	0.00521000000000000022	1.11999999999999995e-05	Moderately soluble	-4.91999999999999993	0.0055700000000000003	1.20000000000000003e-05	Moderately soluble	-6.33000000000000007	0.000216999999999999989	4.66999999999999986e-07	Poorly soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.32000000000000028	0	1	0	0	0	0.550000000000000044
1427	295.329999999999984	C18H17NO3	\N	\N	1	CN1CCc2c3[C@H]1Cc1cccc(c1c3c1c(c2)OCO1)O	22	12	0.330000000000000016	0	4	1	87.0600000000000023	41.9299999999999997	2.60000000000000009	2.95000000000000018	2.16999999999999993	2.49000000000000021	3.24000000000000021	2.68999999999999995	-3.93000000000000016	0.0344	0.000116999999999999998	Soluble	-3.49000000000000021	0.0948999999999999982	0.000320999999999999996	Soluble	-4.67999999999999972	0.00617999999999999973	2.08999999999999998e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.00999999999999979	0	0	0	0	0	0.550000000000000044
1428	608.720000000000027	C37H40N2O6	\N	\N	1	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4O)cc1)C	45	24	0.349999999999999978	3	8	1	181.599999999999994	72.8599999999999994	4.78000000000000025	6.33999999999999986	5.45000000000000018	3.54999999999999982	5.5	5.12000000000000011	-7.79999999999999982	9.54000000000000014e-06	1.57000000000000016e-08	Poorly soluble	-7.66000000000000014	1.32999999999999997e-05	2.19000000000000009e-08	Poorly soluble	-10.1199999999999992	4.61000000000000025e-08	7.56999999999999945e-11	Insoluble	High	No	No	No	No	No	No	No	-5.50999999999999979	1	3	0	0	2	0.550000000000000044
1429	596.529999999999973	C27H32O15	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc3c(c2)O[C@@H](CC3=O)c2ccc(c(c2)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	42	12	0.520000000000000018	7	15	9	135.810000000000002	245.289999999999992	1.85000000000000009	-1.66999999999999993	-2.87000000000000011	-3.5	-2.22999999999999998	-1.67999999999999994	-2.24000000000000021	3.4700000000000002	0.00581000000000000006	Soluble	-2.9700000000000002	0.640000000000000013	0.00106999999999999999	Soluble	0.0899999999999999967	727	1.21999999999999997	Soluble	Low	No	No	No	No	No	No	No	-11.1199999999999992	3	4	1	1	3	0.170000000000000012
1431	258.269999999999982	C15H14O4	\N	\N	1	Oc1ccc(cc1)CCC(=O)c1ccc(cc1O)O	19	12	0.130000000000000004	4	4	3	72	77.7600000000000051	1.96999999999999997	2.97999999999999998	2.62000000000000011	1.65999999999999992	2.64999999999999991	2.37999999999999989	-3.52000000000000002	0.0776000000000000023	0.000300999999999999998	Soluble	-4.28000000000000025	0.0137000000000000004	5.28999999999999983e-05	Moderately soluble	-3.95000000000000018	0.0288999999999999986	0.000111999999999999998	Soluble	High	Yes	No	Yes	No	Yes	No	Yes	-5.75999999999999979	0	0	0	0	0	0.550000000000000044
1432	222.370000000000005	C15H26O	\N	\N	1	CC(=CCC[C@@]([C@H]1CCC(=CC1)C)(O)C)C	16	0	0.729999999999999982	4	1	1	72.3599999999999994	20.2300000000000004	3.60999999999999988	3.79000000000000004	4.23000000000000043	3.56000000000000005	3.74000000000000021	3.79000000000000004	-3.33999999999999986	0.101000000000000006	0.000455000000000000001	Soluble	-3.91000000000000014	0.0274000000000000007	0.000123000000000000008	Soluble	-3	0.224000000000000005	0.00101000000000000005	Soluble	High	Yes	No	No	No	Yes	No	No	-4.96999999999999975	0	0	0	0	1	0.550000000000000044
1433	276.370000000000005	C17H24O3	\N	\N	1	CC(=O)O[C@H]1C(=O)C(=CCCC(=C)[C@@H]2[C@@H]1C(C2)(C)C)C	20	0	0.650000000000000022	2	3	0	79.8799999999999955	43.3699999999999974	2.93999999999999995	3.47999999999999998	3.45000000000000018	2.87000000000000011	3.39999999999999991	3.22999999999999998	-3.60999999999999988	0.0671999999999999958	0.000242999999999999998	Soluble	-4.07000000000000028	0.0234000000000000007	8.4499999999999994e-05	Moderately soluble	-3.5	0.0884000000000000064	0.000320000000000000026	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.51999999999999957	0	0	0	0	0	0.550000000000000044
1434	622.75	C38H42N2O6	\N	\N	1	COc1cc2CCN([C@@H]3c2c(c1OC)Oc1cc2c(cc1OC)CCN([C@@H]2Cc1cc(c2cc(C3)ccc2OC)c(O)cc1)C)C	46	24	0.369999999999999996	4	8	1	187.02000000000001	72.8599999999999994	5.30999999999999961	6.41000000000000014	5.33000000000000007	3.45999999999999996	6.00999999999999979	5.29999999999999982	-7.86000000000000032	8.56999999999999926e-06	1.37999999999999995e-08	Poorly soluble	-7.73000000000000043	1.15e-05	1.85000000000000002e-08	Poorly soluble	-10.4900000000000002	2.01999999999999989e-08	3.23999999999999993e-11	Insoluble	High	No	No	No	No	No	No	No	-5.54999999999999982	1	3	0	0	2	0.550000000000000044
1435	204.349999999999994	C15H24	\N	\N	1	CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C	15	0	0.729999999999999982	1	0	0	69.0400000000000063	0	3.35999999999999988	4	4.58000000000000007	4.62999999999999989	3.72999999999999998	4.05999999999999961	-3.56000000000000005	0.0562	0.000275000000000000017	Soluble	-3.70000000000000018	0.0405999999999999972	0.000199000000000000012	Soluble	-3.06999999999999984	0.173999999999999988	0.000850999999999999977	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.70999999999999996	1	0	0	0	1	0.550000000000000044
1436	248.319999999999993	C15H20O3	\N	\N	1	O=CC1=CC[C@@H]2[C@]([C@@]1(O)C=O)(C)CC[C@@H](C2=C)C	18	0	0.599999999999999978	2	3	1	70.3799999999999955	54.3699999999999974	1.82000000000000006	1.95999999999999996	2.04999999999999982	1.57000000000000006	2.87000000000000011	2.04999999999999982	-2.47999999999999998	0.817999999999999949	0.00328999999999999996	Soluble	-2.72999999999999998	0.466000000000000025	0.00187999999999999994	Soluble	-2.41000000000000014	0.961999999999999966	0.00387000000000000018	Soluble	High	Yes	No	No	No	No	No	No	-6.41999999999999993	0	0	0	0	0	0.550000000000000044
1438	222.370000000000005	C15H26O	\N	\N	1	CC1=CC[C@@]2([C@@](CC1)(O)[C@H](CC2)C(C)C)C	16	0	0.869999999999999996	1	1	1	70.4599999999999937	20.2300000000000004	3.18999999999999995	3.58000000000000007	3.91999999999999993	3.66999999999999993	3.62000000000000011	3.58999999999999986	-3.41000000000000014	0.086900000000000005	0.000391000000000000017	Soluble	-3.68999999999999995	0.0453	0.000203999999999999998	Soluble	-3.18000000000000016	0.145999999999999991	0.000654999999999999983	Soluble	High	Yes	No	No	No	Yes	No	No	-5.11000000000000032	0	0	0	0	1	0.550000000000000044
1440	204.349999999999994	C15H24	\N	\N	1	CC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C	15	0	0.869999999999999996	0	0	0	66.8799999999999955	0	3.20000000000000018	4.62000000000000011	4.41999999999999993	5.65000000000000036	3.91000000000000014	4.36000000000000032	-4.01999999999999957	0.0195999999999999994	9.60000000000000024e-05	Moderately soluble	-4.34999999999999964	0.00923000000000000036	4.50999999999999985e-05	Moderately soluble	-3.52000000000000002	0.0618999999999999967	0.000302999999999999992	Soluble	Low	No	No	No	Yes	Yes	No	No	-4.26999999999999957	1	0	0	0	1	0.550000000000000044
1441	222.370000000000005	C15H26O	\N	\N	1	C[C@@H]1CC[C@@H]2[C@@]31CC[C@@]([C@H](C3)C2(C)C)(C)O	16	0	1	0	1	1	68.5600000000000023	20.2300000000000004	2.99000000000000021	3.87999999999999989	3.60999999999999988	3.81000000000000005	3.39999999999999991	3.54000000000000004	-3.66000000000000014	0.0483000000000000027	0.000216999999999999989	Soluble	-4	0.0221000000000000016	9.95000000000000062e-05	Moderately soluble	-3.18000000000000016	0.145999999999999991	0.000654999999999999983	Soluble	High	Yes	No	No	No	Yes	No	No	-4.90000000000000036	0	0	0	0	1	0.550000000000000044
1442	238.370000000000005	C15H26O2	\N	\N	1	CC1=CC[C@@H]2[C@H]([C@H]1O)C(C)(C)CCC[C@]2(C)O	17	0	0.869999999999999996	0	2	2	71.6200000000000045	40.4600000000000009	3.62000000000000011	2.47999999999999998	2.89000000000000012	2.74000000000000021	2.49000000000000021	2.83999999999999986	-2.87999999999999989	0.314000000000000001	0.00131999999999999999	Soluble	-2.9700000000000002	0.253000000000000003	0.00105999999999999996	Soluble	-2.37999999999999989	0.997999999999999998	0.00419000000000000015	Soluble	High	Yes	No	No	No	No	No	No	-5.99000000000000021	0	0	0	0	0	0.550000000000000044
1443	184.280000000000001	C14H16	\N	\N	1	CCc1ccc(c2c(c1)c(C)cc2)C	14	10	0.28999999999999998	1	0	0	62.7700000000000031	0	2.93000000000000016	4.42999999999999972	3.9700000000000002	5.00999999999999979	4.78000000000000025	4.21999999999999975	-4.24000000000000021	0.0106999999999999994	5.81000000000000028e-05	Moderately soluble	-4.15000000000000036	0.0131000000000000005	7.10999999999999935e-05	Moderately soluble	-5.63999999999999968	0.000422999999999999982	2.3e-06	Moderately soluble	Low	Yes	No	Yes	No	No	Yes	No	-4.28000000000000025	1	0	0	0	2	0.550000000000000044
1445	464.45999999999998	C23H28O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2CC[C@H](O3)c2ccc(c(c2)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O	33	12	0.479999999999999982	6	10	5	114.230000000000004	147.300000000000011	2.70000000000000018	1.23999999999999999	0.330000000000000016	-0.640000000000000013	0.800000000000000044	0.890000000000000013	-3.37000000000000011	0.196000000000000008	0.000422999999999999982	Soluble	-3.93000000000000016	0.054399999999999997	0.000116999999999999998	Soluble	-2.62000000000000011	1.12000000000000011	0.00241999999999999984	Soluble	Low	No	Yes	No	No	No	No	No	-8.25	0	0	1	1	0	0.550000000000000044
1446	204.349999999999994	C15H24	\N	\N	1	CC1=CC[C@@]2(CC1)C(=C)CCCC2(C)C	15	0	0.729999999999999982	0	0	0	68.519999999999996	0	3.20000000000000018	4.66999999999999993	4.87000000000000011	4.62999999999999989	4.58999999999999986	4.38999999999999968	-4.04999999999999982	0.0183000000000000003	8.93000000000000022e-05	Moderately soluble	-4.40000000000000036	0.00818999999999999936	4.00999999999999989e-05	Moderately soluble	-4.21999999999999975	0.0123999999999999996	6.06999999999999982e-05	Moderately soluble	Low	No	No	No	No	Yes	No	No	-4.23000000000000043	1	0	0	0	1	0.550000000000000044
1447	308.370000000000005	C17H24O5	\N	\N	1	O=CC1=C[C@@H](OC(=O)C)[C@@H]2[C@]([C@@]1(O)C=O)(C)CCCC2(C)C	22	0	0.709999999999999964	4	5	1	81.5	80.6700000000000017	1.69999999999999996	2.29999999999999982	1.82000000000000006	1.18999999999999995	2.58999999999999986	1.91999999999999993	-2.93999999999999995	0.356999999999999984	0.00116000000000000001	Soluble	-3.62999999999999989	0.0719999999999999946	0.000232999999999999999	Soluble	-2.45999999999999996	1.07000000000000006	0.00348000000000000002	Soluble	High	No	No	No	No	No	No	No	-6.54999999999999982	0	0	0	0	0	0.550000000000000044
1448	204.349999999999994	C15H24	\N	\N	1	CC([C@@H]1CC[C@@]2([C@@H]3[C@H]1[C@H]2C(=CC3)C)C)C	15	0	0.869999999999999996	1	0	0	67.1400000000000006	0	3.39999999999999991	4.46999999999999975	4.26999999999999957	5.65000000000000036	3.72999999999999998	4.29999999999999982	-3.85999999999999988	0.0284000000000000016	0.000138999999999999991	Soluble	-4.19000000000000039	0.0131999999999999999	6.45999999999999981e-05	Moderately soluble	-3.06999999999999984	0.173999999999999988	0.000850999999999999977	Soluble	Low	Yes	No	Yes	Yes	Yes	No	No	-4.37000000000000011	1	0	0	0	1	0.550000000000000044
1449	242.27000000000001	C15H14O3	\N	\N	1	Oc1ccc(cc1)[C@@H]1CCc2c(O1)cc(cc2)O	18	12	0.200000000000000011	1	3	2	69.1299999999999955	49.6899999999999977	2.06999999999999984	3.10000000000000009	2.83999999999999986	2.20000000000000018	2.87999999999999989	2.62000000000000011	-3.7200000000000002	0.0459000000000000033	0.000189000000000000013	Soluble	-3.81000000000000005	0.0374000000000000027	0.000154000000000000003	Soluble	-4.11000000000000032	0.0188000000000000007	7.73999999999999976e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	No	-5.58000000000000007	0	0	0	0	0	0.550000000000000044
1451	329.389999999999986	C19H23NO4	\N	\N	1	COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC	24	6	0.530000000000000027	2	5	1	94.1200000000000045	59	2.49000000000000021	2.14999999999999991	1.6399999999999999	1.30000000000000004	2.35999999999999988	1.98999999999999999	-3.29000000000000004	0.169000000000000011	0.000513000000000000001	Soluble	-3.02000000000000002	0.314000000000000001	0.000952000000000000047	Soluble	-3.70999999999999996	0.0638999999999999985	0.000193999999999999999	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.78000000000000025	0	0	0	0	0	0.550000000000000044
1452	272.300000000000011	C16H16O4	\N	\N	1	COc1cc(O)c(c(c1)O)C(=O)CCc1ccccc1	20	12	0.190000000000000002	5	4	2	76.4699999999999989	66.7600000000000051	2.00999999999999979	3.31000000000000005	2.91999999999999993	1.90999999999999992	3.18000000000000016	2.66999999999999993	-3.72999999999999998	0.0509999999999999967	0.000186999999999999992	Soluble	-4.38999999999999968	0.0111000000000000005	4.0899999999999998e-05	Moderately soluble	-4.65000000000000036	0.00610000000000000039	2.2399999999999999e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.61000000000000032	0	0	0	0	0	0.550000000000000044
1453	252.349999999999994	C15H24O3	\N	\N	1	CC(=C1C[C@@H]2[C@](CC1=O)(C)CC[C@H]([C@@]2(C)O)O)C	18	0	0.800000000000000044	0	3	2	71.8199999999999932	57.5300000000000011	2.39999999999999991	1.81000000000000005	2.20999999999999996	1.75	2.54000000000000004	2.14000000000000012	-2.54000000000000004	0.719999999999999973	0.0028500000000000001	Soluble	-2.64000000000000012	0.580999999999999961	0.00229999999999999996	Soluble	-2.5	0.807000000000000051	0.00320000000000000015	Soluble	High	Yes	No	No	No	No	No	No	-6.54999999999999982	0	0	0	0	0	0.550000000000000044
1454	286.319999999999993	C17H18O4	\N	\N	1	COc1ccc(cc1O)[C@@H]1CCc2c(O1)c(C)c(cc2)O	21	12	0.28999999999999998	2	4	2	80.5799999999999983	58.9200000000000017	2.66000000000000014	3.43999999999999995	3.16000000000000014	2.10999999999999988	3.39000000000000012	2.95000000000000018	-4.07000000000000028	0.0241999999999999993	8.4499999999999994e-05	Moderately soluble	-4.36000000000000032	0.0126000000000000001	4.38000000000000008e-05	Moderately soluble	-4.61000000000000032	0.00696000000000000004	2.43000000000000011e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-5.59999999999999964	0	0	0	0	0	0.550000000000000044
1455	204.349999999999994	C15H24	\N	\N	1	CC([C@@H]1CC[C@H]([C@]23[C@H]1[C@H]2C(=CC3)C)C)C	15	0	0.869999999999999996	1	0	0	67.1400000000000006	0	3.39999999999999991	4.46999999999999975	4.26999999999999957	5.65000000000000036	3.72999999999999998	4.29999999999999982	-3.85999999999999988	0.0284000000000000016	0.000138999999999999991	Soluble	-4.19000000000000039	0.0131999999999999999	6.45999999999999981e-05	Moderately soluble	-3.06999999999999984	0.173999999999999988	0.000850999999999999977	Soluble	Low	Yes	No	Yes	Yes	Yes	No	No	-4.37000000000000011	1	0	0	0	1	0.550000000000000044
1456	204.349999999999994	C15H24	\N	\N	1	CC([C@@H]1CC[C@H]([C@@]23[C@@H]1[C@@H]2C(=C)CC3)C)C	15	0	0.869999999999999996	1	0	0	67.1400000000000006	0	3.31999999999999984	4.70999999999999996	4.26999999999999957	5.65000000000000036	4.00999999999999979	4.38999999999999968	-4.00999999999999979	0.0200000000000000004	9.80999999999999993e-05	Moderately soluble	-4.44000000000000039	0.00744000000000000043	3.63999999999999971e-05	Moderately soluble	-3.31999999999999984	0.0982999999999999985	0.000480999999999999982	Soluble	Low	Yes	No	Yes	Yes	Yes	No	No	-4.20000000000000018	1	0	0	0	1	0.550000000000000044
1457	202.340000000000003	C15H22	\N	\N	1	CC(=CCC[C@H](c1ccc(cc1)C)C)C	15	6	0.469999999999999973	4	0	0	69.5499999999999972	0	3.39000000000000012	5.37999999999999989	4.83999999999999986	5.75	4.82000000000000028	4.83999999999999986	-4.51999999999999957	0.00617000000000000014	3.04999999999999994e-05	Moderately soluble	-5.12999999999999989	0.00149	7.34000000000000003e-06	Moderately soluble	-4.90000000000000036	0.00255000000000000018	1.25999999999999996e-05	Moderately soluble	Low	No	No	No	No	No	Yes	No	-3.70999999999999996	1	0	0	0	2	0.550000000000000044
1459	222.370000000000005	C15H26O	\N	\N	1	C[C@H]1CCC[C@]2([C@]31C[C@@]3(CC2)C(O)(C)C)C	16	0	1	1	1	1	68.2999999999999972	20.2300000000000004	3.04999999999999982	4.04000000000000004	3.75	3.81000000000000005	3.75	3.68000000000000016	-3.70000000000000018	0.0446000000000000008	0.000201000000000000007	Soluble	-4.16999999999999993	0.0151000000000000006	6.7899999999999997e-05	Moderately soluble	-3.41000000000000014	0.0856999999999999984	0.00038499999999999998	Soluble	High	Yes	No	No	No	Yes	No	No	-4.79000000000000004	0	0	0	0	1	0.550000000000000044
1460	238.370000000000005	C15H26O2	\N	\N	1	CC([C@H]1CC[C@]2([C@@]31CC[C@@](O3)(C)[C@H](C2)O)C)C	17	0	1	1	2	1	69.9399999999999977	29.4600000000000009	2.97999999999999998	2.93999999999999995	3.12999999999999989	2.87999999999999989	3.25	3.04000000000000004	-3.10000000000000009	0.188	0.000787000000000000048	Soluble	-3.2200000000000002	0.142999999999999988	0.000601999999999999996	Soluble	-2.91999999999999993	0.283999999999999975	0.00119000000000000009	Soluble	High	Yes	No	No	No	No	No	No	-5.66999999999999993	0	0	0	0	0	0.550000000000000044
1461	238.370000000000005	C15H26O2	\N	\N	1	OC[C@]([C@@H]1CC=C2[C@@](C1)(C)[C@H](C)CCC2)(O)C	17	0	0.869999999999999996	2	2	2	71.6200000000000045	40.4600000000000009	2.74000000000000021	2.68000000000000016	2.89000000000000012	2.74000000000000021	2.72999999999999998	2.75999999999999979	-2.87000000000000011	0.318000000000000005	0.00134000000000000005	Soluble	-3.18000000000000016	0.157000000000000001	0.000657999999999999948	Soluble	-2.41000000000000014	0.934000000000000052	0.00391999999999999987	Soluble	High	Yes	No	No	No	No	No	No	-5.84999999999999964	0	0	0	0	0	0.550000000000000044
1462	622.75	C38H42N2O6	\N	\N	1	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C	46	24	0.369999999999999996	4	8	0	186.069999999999993	61.8599999999999994	5.11000000000000032	6.66000000000000014	5.75	3.72999999999999998	6.05999999999999961	5.45999999999999996	-8.01999999999999957	5.95999999999999969e-06	9.57000000000000066e-09	Poorly soluble	-7.75999999999999979	1.07999999999999999e-05	1.72999999999999994e-08	Poorly soluble	-10.8000000000000007	9.78000000000000056e-09	1.57000000000000014e-11	Insoluble	High	No	No	No	No	No	No	No	-5.37000000000000011	1	4	0	0	2	0.550000000000000044
1463	696.830000000000041	C41H48N2O8	\N	\N	1	COc1cc2c(cc1Oc1cc(OC)c(cc1C[C@@H]1N(C)CCc3c1cc(OC)c(c3)OC)OC)C[C@H]1c3c2c(OC)c(OC)cc3CCN1C	51	24	0.409999999999999976	11	10	0	204.469999999999999	80.3199999999999932	6.33000000000000007	6.67999999999999972	5.65000000000000036	2.95999999999999996	7.38999999999999968	5.79999999999999982	-7.99000000000000021	7.10999999999999969e-06	1.02000000000000003e-08	Poorly soluble	-8.16999999999999993	4.7099999999999998e-06	6.75999999999999982e-09	Poorly soluble	-11.4700000000000006	2.38000000000000005e-09	3.40999999999999981e-12	Insoluble	High	No	No	No	No	No	No	No	-5.80999999999999961	1	4	1	0	2	0.550000000000000044
1464	652.779999999999973	C39H44N2O7	\N	\N	1	COc1cc2CCN([C@@H]3c2c(c1OC)Oc1c2CCN([C@H](c2cc(c1OC)OC)Cc1ccc(Oc2cc(C3)ccc2OC)cc1)C)C	48	24	0.380000000000000004	5	9	0	192.569999999999993	71.0900000000000034	5.25999999999999979	6.63999999999999968	5.75999999999999979	3.39000000000000012	6.15000000000000036	5.44000000000000039	-8.10999999999999943	5.05999999999999983e-06	7.75999999999999967e-09	Poorly soluble	-7.92999999999999972	7.59000000000000018e-06	1.15999999999999996e-08	Poorly soluble	-10.8900000000000006	8.41000000000000053e-09	1.29000000000000004e-11	Insoluble	High	No	No	No	No	No	No	No	-5.57000000000000028	1	4	0	0	2	0.550000000000000044
1466	230.300000000000011	C15H18O2	\N	\N	1	CC(=CC(=O)C1=C(CC[C@@H]1C)c1cocc1)C	17	5	0.400000000000000022	3	2	0	69.6700000000000017	30.2100000000000009	2.85000000000000009	3.33999999999999986	4	2.31999999999999984	3.91999999999999993	3.29000000000000004	-3.39000000000000012	0.0933999999999999969	0.000406000000000000002	Soluble	-3.64999999999999991	0.0514000000000000012	0.000222999999999999999	Soluble	-3.95000000000000018	0.0261000000000000017	0.000112999999999999996	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.33000000000000007	0	0	0	0	0	0.550000000000000044
1467	608.720000000000027	C37H40N2O6	\N	\N	1	COc1cc2CCN([C@@H]3c2cc1Oc1c2CCN([C@H](c2cc(c1O)OC)Cc1ccc(Oc2cc(C3)ccc2OC)cc1)C)C	45	24	0.349999999999999978	3	8	1	181.599999999999994	72.8599999999999994	4.95000000000000018	6.33999999999999986	5.45000000000000018	3.54999999999999982	5.5	5.16000000000000014	-7.79999999999999982	9.54000000000000014e-06	1.57000000000000016e-08	Poorly soluble	-7.66000000000000014	1.32999999999999997e-05	2.19000000000000009e-08	Poorly soluble	-10.1199999999999992	4.61000000000000025e-08	7.56999999999999945e-11	Insoluble	High	No	No	No	No	No	No	No	-5.50999999999999979	1	3	0	0	2	0.550000000000000044
1468	248.319999999999993	C15H20O3	\N	\N	1	CC(=CC(=O)C[C@@]1(C)CC[C@H](O1)c1cocc1)C	18	5	0.530000000000000027	4	3	0	70.480000000000004	39.4399999999999977	2.79000000000000004	2.50999999999999979	3.49000000000000021	1.52000000000000002	3.68999999999999995	2.79999999999999982	-2.89999999999999991	0.310999999999999999	0.00125000000000000003	Soluble	-2.97999999999999998	0.258000000000000007	0.00103999999999999991	Soluble	-3.83000000000000007	0.0367999999999999994	0.000147999999999999992	Soluble	High	Yes	No	No	No	No	No	No	-6.03000000000000025	0	0	0	0	0	0.550000000000000044
1469	636.730000000000018	C38H40N2O7	\N	\N	1	COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3c1cc(Oc1c4[C@H](C2)N(C)CCc4c(c(c1OC)OC)OC)c(OC)c3	47	24	0.340000000000000024	5	9	0	187.960000000000008	80.2099999999999937	4.95000000000000018	6.08999999999999986	5.90000000000000036	3.14999999999999991	7.25	5.46999999999999975	-7.66999999999999993	1.34999999999999995e-05	2.12999999999999988e-08	Poorly soluble	-7.55999999999999961	1.76999999999999999e-05	2.78000000000000008e-08	Poorly soluble	-11.4499999999999993	2.24000000000000012e-09	3.51999999999999995e-12	Insoluble	High	No	No	No	No	No	No	No	-5.86000000000000032	1	4	0	1	2	0.550000000000000044
1470	222.370000000000005	C15H26O	\N	\N	1	CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(O)(C)C)C	16	0	0.869999999999999996	1	1	1	70.4599999999999937	20.2300000000000004	3.18999999999999995	3.5	3.91999999999999993	3.66999999999999993	3.35000000000000009	3.5299999999999998	-3.35999999999999988	0.0976000000000000062	0.000438999999999999991	Soluble	-3.60999999999999988	0.0548000000000000015	0.000246999999999999986	Soluble	-2.95999999999999996	0.240999999999999992	0.00108000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-5.16999999999999993	0	0	0	0	1	0.550000000000000044
1471	222.370000000000005	C15H26O	\N	\N	1	C=C1CCC[C@]2([C@H]1C[C@@H](CC2)C(O)(C)C)C	16	0	0.869999999999999996	1	1	1	70.4599999999999937	20.2300000000000004	3.06999999999999984	3.74000000000000021	3.91999999999999993	3.66999999999999993	3.64000000000000012	3.60999999999999988	-3.50999999999999979	0.0689000000000000029	0.00031	Soluble	-3.85999999999999988	0.0309000000000000004	0.000138999999999999991	Soluble	-3.20999999999999996	0.13600000000000001	0.000612000000000000022	Soluble	High	Yes	No	No	No	Yes	No	No	-5	0	0	0	0	1	0.550000000000000044
1473	204.349999999999994	C15H24	\N	\N	1	C=CC(=C)CC/C=C(/CCC=C(C)C)\\C	15	0	0.469999999999999973	7	0	0	72.3199999999999932	0	3.85999999999999988	6.03000000000000025	5.20000000000000018	4.83999999999999986	4.92999999999999972	4.96999999999999975	-4.44000000000000039	0.00734999999999999976	3.60000000000000009e-05	Moderately soluble	-5.80999999999999961	0.000317999999999999978	1.54999999999999998e-06	Moderately soluble	-3.74000000000000021	0.0372999999999999998	0.000182000000000000006	Soluble	Low	No	No	Yes	No	Yes	No	No	-3.27000000000000002	1	0	0	0	2	0.550000000000000044
1474	576.67999999999995	C36H36N2O5	\N	\N	1	COc1cc2CCN([C@@H]3c2c2c1Oc1cc4CCN([C@H](c4cc1O2)Cc1cc(c2cc(C3)ccc2OC)c(O)cc1)C)C	43	24	0.330000000000000016	2	7	1	174.110000000000014	63.6300000000000026	5.01999999999999957	6.07000000000000028	5.41999999999999993	3.89000000000000012	5.84999999999999964	5.25	-7.51999999999999957	1.73999999999999994e-05	3.01999999999999991e-08	Poorly soluble	-7.19000000000000039	3.75999999999999991e-05	6.5099999999999994e-08	Poorly soluble	-10.0299999999999994	5.41000000000000014e-08	9.38000000000000018e-11	Insoluble	High	No	No	No	No	No	No	No	-5.50999999999999979	1	3	0	0	2	0.550000000000000044
1475	295.329999999999984	C18H17NO3	\N	\N	1	COc1ccc2c(c1)C[C@@H]1c3c2c2OCOc2cc3CCN1	22	12	0.330000000000000016	1	4	1	86.6299999999999955	39.7199999999999989	3.12000000000000011	2.79999999999999982	2.12999999999999989	2.49000000000000021	3.83999999999999986	2.87999999999999989	-3.77000000000000002	0.049799999999999997	0.000168999999999999988	Soluble	-3.29000000000000004	0.150999999999999995	0.000511999999999999977	Soluble	-5.70999999999999996	0.000577000000000000039	1.94999999999999996e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-6.11000000000000032	0	0	0	0	0	0.550000000000000044
1476	355.430000000000007	C21H25NO4	\N	\N	1	COc1cc2C[C@@H]3N(Cc2cc1OC)CCc1c3cc(OC)c(c1)OC	26	12	0.429999999999999993	4	5	0	103.989999999999995	40.1599999999999966	3.70000000000000018	3.24000000000000021	2.52000000000000002	2.20000000000000018	3.75	3.08000000000000007	-4.16000000000000014	0.0245000000000000009	6.88000000000000054e-05	Moderately soluble	-3.75999999999999979	0.0621999999999999983	0.000174999999999999998	Soluble	-5.87000000000000011	0.000480999999999999982	1.34999999999999999e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.16999999999999993	0	0	0	0	0	0.550000000000000044
1477	204.349999999999994	C15H24	\N	\N	1	CC1=CCCC(=CCC(=C(C)C)CC1)C	15	0	0.599999999999999978	0	0	0	70.6800000000000068	0	3.27000000000000002	5.76999999999999957	5.17999999999999972	4.53000000000000025	4.25	4.59999999999999964	-4.74000000000000021	0.00370000000000000016	1.80999999999999995e-05	Moderately soluble	-5.54000000000000004	0.000591000000000000054	2.88999999999999986e-06	Moderately soluble	-3.75	0.0362999999999999989	0.00017799999999999999	Soluble	Low	No	No	No	No	Yes	No	No	-3.45000000000000018	1	0	0	0	2	0.550000000000000044
1478	220.310000000000002	C14H20O2	\N	\N	1	CC(=C)[C@@H]1CCC2=CC(=O)[C@@H]([C@H]([C@@H]2C1)C)O	16	0	0.640000000000000013	1	2	1	65.5999999999999943	37.2999999999999972	2.45000000000000018	2.75999999999999979	2.47999999999999998	2.2799999999999998	2.43000000000000016	2.47999999999999998	-2.87999999999999989	0.290999999999999981	0.00131999999999999999	Soluble	-3.20000000000000018	0.139000000000000012	0.000632999999999999991	Soluble	-2.0299999999999998	2.06999999999999984	0.00940000000000000037	Soluble	High	Yes	No	No	No	No	No	No	-5.67999999999999972	0	0	0	0	0	0.550000000000000044
1480	222.370000000000005	C15H26O	\N	\N	1	C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(O)(C)C	16	0	0.869999999999999996	1	1	1	70.7199999999999989	20.2300000000000004	3.08000000000000007	3.06999999999999984	3.91999999999999993	3.66999999999999993	3.35000000000000009	3.41999999999999993	-3.08999999999999986	0.181999999999999995	0.000818999999999999958	Soluble	-3.16000000000000014	0.152999999999999997	0.000689000000000000051	Soluble	-2.95999999999999996	0.240999999999999992	0.00108000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-5.48000000000000043	0	0	0	0	1	0.550000000000000044
1481	234.330000000000013	C15H22O2	\N	\N	1	O=CC1=C(C)[C@]2([C@H]([C@@H]1[C@H](CC2)C(C)C)C=O)C	17	0	0.729999999999999982	3	2	0	69.6599999999999966	34.1400000000000006	2.39000000000000012	2.52000000000000002	3.02000000000000002	2.54000000000000004	3.54999999999999982	2.79999999999999982	-2.68000000000000016	0.486999999999999988	0.00207999999999999982	Soluble	-2.87999999999999989	0.306999999999999995	0.00130999999999999997	Soluble	-2.87000000000000011	0.318000000000000005	0.0013600000000000001	Soluble	High	Yes	No	No	No	No	No	No	-5.94000000000000039	0	0	0	0	0	0.550000000000000044
1482	236.349999999999994	C15H24O2	\N	\N	1	OC[C@@H]1[C@H]2[C@@H](CC[C@]1(C)C(=C2C=O)C)C(C)C	17	0	0.800000000000000044	3	2	1	70.6200000000000045	37.2999999999999972	2.60000000000000009	2.62000000000000011	2.81000000000000005	2.62999999999999989	3.25	2.7799999999999998	-2.75999999999999979	0.412999999999999978	0.00175000000000000004	Soluble	-3.04999999999999982	0.208999999999999991	0.000885000000000000044	Soluble	-2.75	0.421999999999999986	0.00178999999999999992	Soluble	High	Yes	No	No	No	No	No	No	-5.87999999999999989	0	0	0	0	0	0.550000000000000044
1483	884.909999999999968	C39H64O22	\N	\N	1	OC[C@H]([C@@H]1O[C@H]([C@H]([C@@H]1O)O)OCC(=C)[C@H]1CC[C@]2(C(=C(C)C[C@H](C2)O[C@H]2O[C@H]([C@@H]([C@H]2O)O)[C@H](O[C@H]2O[C@H]([C@H]([C@H]2O)O)[C@@H](CO)O)CO)C1)C)O[C@H]1O[C@@H]([C@H]([C@@H]1O)O)[C@@H](CO)O	61	0	0.900000000000000022	18	22	14	200.639999999999986	357.060000000000002	0.309999999999999998	-5.16999999999999993	-5.88999999999999968	-6.15000000000000036	-3.9700000000000002	-4.16999999999999993	-0.880000000000000004	116	0.131000000000000005	Very soluble	-1.67999999999999994	18.3000000000000007	0.0206999999999999997	Very soluble	4.53000000000000025	29600000	33500	Soluble	Low	No	Yes	No	No	No	No	No	-15.3699999999999992	3	4	2	1	6	0.170000000000000012
1484	260.29000000000002	C15H16O4	\N	\N	1	O=Cc1c(O)c(O)c(c2c1c(O)cc(c2)C)C(C)C	19	10	0.270000000000000018	2	4	3	74.9500000000000028	77.7600000000000051	2.37999999999999989	3.60999999999999988	3.20000000000000018	1.69999999999999996	3.20999999999999996	2.81999999999999984	-3.99000000000000021	0.0269000000000000003	0.000102999999999999996	Soluble	-4.92999999999999972	0.00305999999999999979	1.16999999999999998e-05	Moderately soluble	-3.50999999999999979	0.0803999999999999992	0.000308999999999999976	Soluble	High	Yes	No	Yes	No	Yes	No	Yes	-5.32000000000000028	0	0	0	0	0	0.550000000000000044
1485	236.349999999999994	C15H24O2	\N	\N	1	CC(=CCC[C@@]([C@@H]1CCC(=CC1=O)C)(O)C)C	17	0	0.67000000000000004	4	2	1	72.5600000000000023	37.2999999999999972	3.25999999999999979	3.2799999999999998	3.41000000000000014	2.54000000000000004	3.45000000000000018	3.18999999999999995	-3.10999999999999988	0.183999999999999997	0.000779999999999999986	Soluble	-3.74000000000000021	0.0432000000000000023	0.000183000000000000003	Soluble	-2.89000000000000012	0.306999999999999995	0.00129999999999999994	Soluble	High	Yes	No	No	No	No	No	No	-5.41000000000000014	0	0	0	0	0	0.550000000000000044
1488	320.420000000000016	C19H28O4	\N	\N	1	O=C(C(C)C)O[C@@H]1c2c(C)coc2C[C@@]2([C@@]1(C)[C@@H](C)CCC2)O	23	5	0.739999999999999991	3	4	1	89.2900000000000063	59.6700000000000017	3.47999999999999998	3.85999999999999988	3.62000000000000011	2.5299999999999998	3.91999999999999993	3.47999999999999998	-4.21999999999999975	0.0191999999999999983	6.00999999999999972e-05	Moderately soluble	-4.80999999999999961	0.00496999999999999959	1.55000000000000007e-05	Moderately soluble	-4.41999999999999993	0.0120999999999999996	3.77999999999999972e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-5.50999999999999979	0	0	0	0	0	0.550000000000000044
1489	234.330000000000013	C15H22O2	\N	\N	1	CC(=C)[C@@H]1CC[C@@H]([C@@H]2C(=C(C)C(=O)C2)[C@@H]1O)C	17	0	0.67000000000000004	1	2	1	70.4000000000000057	37.2999999999999972	2.70999999999999996	2.39000000000000012	2.87999999999999989	2.54000000000000004	2.91999999999999993	2.68000000000000016	-2.72999999999999998	0.433999999999999997	0.00185000000000000008	Soluble	-2.81000000000000005	0.358999999999999986	0.00152999999999999989	Soluble	-2.62999999999999989	0.546000000000000041	0.00233000000000000004	Soluble	High	Yes	No	No	No	No	No	No	-6.03000000000000025	0	0	0	0	0	0.550000000000000044
1490	250.330000000000013	C15H22O3	\N	\N	1	CC(CC(=O)C[C@]1(C)CC[C@@H](O1)c1cocc1)C	18	5	0.67000000000000004	5	3	0	70.9500000000000028	39.4399999999999977	2.83999999999999986	2.33000000000000007	3.56999999999999984	1.6100000000000001	3.85000000000000009	2.83999999999999986	-2.74000000000000021	0.46000000000000002	0.00184000000000000006	Soluble	-2.79999999999999982	0.399000000000000021	0.00159000000000000005	Soluble	-4.19000000000000039	0.0160999999999999997	6.43000000000000044e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-6.16999999999999993	0	0	0	0	0	0.550000000000000044
1491	206.319999999999993	C14H22O	\N	\N	1	CC(=O)/C=C/[C@H]1C(=CC[C@H](C1(C)C)C)C	15	0	0.640000000000000013	2	1	0	66.2900000000000063	17.0700000000000003	2.89999999999999991	3.20999999999999996	3.75999999999999979	3.20999999999999996	3.52000000000000002	3.31999999999999984	-3.00999999999999979	0.202000000000000013	0.00097799999999999992	Soluble	-3.24000000000000021	0.118999999999999995	0.00057499999999999999	Soluble	-2.81000000000000005	0.322000000000000008	0.00155999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-5.28000000000000025	0	0	0	0	1	0.550000000000000044
1492	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	3.29000000000000004	4.37999999999999989	4.73000000000000043	4.62999999999999989	4.19000000000000039	4.24000000000000021	-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
1494	266.379999999999995	C16H26O3	\N	\N	1	COC(=O)/C=C(/CC/C=C(/CC[C@H]1OC1(C)C)\\C)\\C	19	0	0.689999999999999947	8	3	0	78.3700000000000045	38.8299999999999983	3.97999999999999998	3.97999999999999998	3.79000000000000004	2.7200000000000002	4.37000000000000011	3.77000000000000002	-3.4700000000000002	0.0900999999999999995	0.000337999999999999976	Soluble	-4.5	0.00848999999999999928	3.19000000000000029e-05	Moderately soluble	-3.35999999999999988	0.117000000000000007	0.000440999999999999986	Soluble	High	Yes	No	Yes	Yes	Yes	No	No	-5.09999999999999964	0	0	0	0	0	0.550000000000000044
1495	260.329999999999984	C16H20O3	\N	\N	1	COc1cc2c(cc1C)C(=CC(=O)[C@]2(C)O)C(C)C	19	6	0.440000000000000002	2	3	1	76.1200000000000045	46.5300000000000011	2.87999999999999989	2.52000000000000002	2.7200000000000002	2	3.68999999999999995	2.75999999999999979	-3.14000000000000012	0.187	0.000719000000000000021	Soluble	-3.14000000000000012	0.187	0.000719000000000000021	Soluble	-4.29000000000000004	0.0134000000000000005	5.14999999999999982e-05	Moderately soluble	High	Yes	No	No	Yes	No	No	No	-6.09999999999999964	0	0	0	0	0	0.550000000000000044
1496	450.569999999999993	C25H38O7	\N	\N	1	C/C=C(\\C(=O)O[C@H]1C[C@@](C)(O)C(=O)[C@H]([C@@]2([C@@H]1[C@@](O)(CC2)C(C)C)C)OC(=O)/C(=C\\C)/C)/C	32	0	0.719999999999999973	7	7	2	122.019999999999996	110.129999999999995	3.64999999999999991	3.9700000000000002	3.27000000000000002	2.08000000000000007	3.87000000000000011	3.37000000000000011	-4.66999999999999993	0.00957999999999999997	2.12999999999999994e-05	Moderately soluble	-5.98000000000000043	0.000467999999999999992	1.04e-06	Moderately soluble	-3.25	0.254000000000000004	0.000564000000000000048	Soluble	High	No	Yes	No	No	No	No	Yes	-6.23000000000000043	0	0	0	0	0	0.550000000000000044
1497	222.370000000000005	C15H26O	\N	\N	1	C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CC[C@@]2(C)O	16	0	1	0	1	1	68.8199999999999932	20.2300000000000004	3.10000000000000009	3.74000000000000021	3.4700000000000002	3.81000000000000005	3	3.41999999999999993	-3.56999999999999984	0.0592000000000000026	0.000266000000000000015	Soluble	-3.85999999999999988	0.0309000000000000004	0.000138999999999999991	Soluble	-2.72999999999999998	0.409999999999999976	0.00185000000000000008	Soluble	High	Yes	No	No	Yes	No	No	No	-5	0	0	0	0	1	0.550000000000000044
1498	204.349999999999994	C15H24	\N	\N	1	C=C1[C@H]2CC[C@H]3[C@]1(C)CCCC([C@@H]23)(C)C	15	0	0.869999999999999996	0	0	0	66.8799999999999955	0	3.14000000000000012	5.08000000000000007	4.41999999999999993	5.65000000000000036	4.19000000000000039	4.5	-4.30999999999999961	0.0100999999999999996	4.92999999999999989e-05	Moderately soluble	-4.82000000000000028	0.00306999999999999981	1.50000000000000004e-05	Moderately soluble	-3.77000000000000002	0.0349000000000000005	0.000171000000000000009	Soluble	Low	No	No	No	Yes	Yes	No	No	-3.93999999999999995	1	0	0	0	2	0.550000000000000044
1499	236.349999999999994	C15H24O2	\N	\N	1	O=C[C@H]1C[C@@H](O)C[C@H]([C@]21CC[C@H](C2)C(=C)C)C	17	0	0.800000000000000044	2	2	1	70.6200000000000045	37.2999999999999972	2.49000000000000021	3.39000000000000012	2.95000000000000018	2.62999999999999989	2.93000000000000016	2.87999999999999989	-3.31000000000000005	0.116000000000000006	0.000491000000000000008	Soluble	-3.85000000000000009	0.0332000000000000003	0.000141000000000000012	Soluble	-2.31999999999999984	1.12000000000000011	0.00474000000000000029	Soluble	High	Yes	No	No	No	Yes	No	No	-5.33000000000000007	0	0	0	0	0	0.550000000000000044
1500	266.329999999999984	C15H22O4	\N	\N	1	O=CC1=C[C@H](O)[C@@H]2[C@]([C@@]1(O)C=O)(C)CCCC2(C)C	19	0	0.729999999999999982	2	4	2	71.7600000000000051	74.5999999999999943	1.55000000000000004	1.71999999999999997	1.25	0.800000000000000044	2.10999999999999988	1.48999999999999999	-2.43999999999999995	0.960999999999999965	0.00360999999999999993	Soluble	-2.89999999999999991	0.333000000000000018	0.00125000000000000003	Soluble	-1.82000000000000006	4	0.0149999999999999994	Soluble	High	No	No	No	No	No	No	No	-6.70000000000000018	0	0	0	0	0	0.550000000000000044
1501	222.370000000000005	C15H26O	\N	\N	1	C=C[C@](CC/C=C(/CCC=C(C)C)\\C)(O)C	16	0	0.599999999999999978	7	1	1	74	20.2300000000000004	3.64000000000000012	4.83000000000000007	4.40000000000000036	3.85999999999999988	4.20999999999999996	4.19000000000000039	-3.79999999999999982	0.035299999999999998	0.000158999999999999989	Soluble	-4.99000000000000021	0.00228999999999999993	1.02999999999999996e-05	Moderately soluble	-3.14999999999999991	0.156	0.000699999999999999993	Soluble	High	Yes	No	Yes	No	Yes	No	No	-4.23000000000000043	0	0	0	0	1	0.550000000000000044
1502	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	3.18999999999999995	4.04999999999999982	3.60999999999999988	3.81000000000000005	3.39999999999999991	3.60999999999999988	-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
1503	316.430000000000007	C20H28O3	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1CCC2=CC(=O)[C@@H](C[C@@]2([C@H]1C)C)C(=C)C)/C	23	0	0.599999999999999978	4	3	0	93.8299999999999983	43.3699999999999974	3.5299999999999998	4.58999999999999986	4.38999999999999968	3.47999999999999998	4.25	4.04999999999999982	-4.42999999999999972	0.0117999999999999997	3.7200000000000003e-05	Moderately soluble	-5.23000000000000043	0.00187999999999999994	5.95999999999999969e-06	Moderately soluble	-3.74000000000000021	0.0580999999999999989	0.000184	Soluble	High	Yes	No	No	Yes	Yes	No	Yes	-4.96999999999999975	0	0	0	0	0	0.550000000000000044
1504	280.319999999999993	C15H20O5	\N	\N	1	OC(=O)/C=C(\\C=C\\[C@]1(O)[C@@]2(C)CO[C@]1(C)CC(=O)C2)/C	20	0	0.599999999999999978	3	5	2	73.0799999999999983	83.8299999999999983	1.87999999999999989	0.469999999999999973	1.45999999999999996	0.699999999999999956	2.31999999999999984	1.3600000000000001	-1.67999999999999994	5.91000000000000014	0.0211000000000000007	Very soluble	-1.80000000000000004	4.45000000000000018	0.0159000000000000009	Very soluble	-1.55000000000000004	7.86000000000000032	0.0281	Soluble	High	No	No	No	No	No	No	No	-7.67999999999999972	0	0	0	0	0	0.560000000000000053
1505	264.319999999999993	C15H20O4	\N	\N	1	OCC(=C)[C@]12O[C@@H]2[C@]2(C(=CC1=O)CC[C@H]([C@@H]2C)O)C	19	0	0.67000000000000004	2	4	2	70.3199999999999932	70.0600000000000023	1.73999999999999999	0.819999999999999951	0.979999999999999982	0.800000000000000044	2.16999999999999993	1.30000000000000004	-1.8600000000000001	3.62000000000000011	0.0137000000000000004	Very soluble	-1.87000000000000011	3.54000000000000004	0.0134000000000000005	Very soluble	-1.79000000000000004	4.25999999999999979	0.0160999999999999997	Soluble	High	No	No	No	No	No	No	No	-7.33000000000000007	0	0	0	0	0	0.550000000000000044
1506	294.389999999999986	C17H26O4	\N	\N	1	CC(=O)OC([C@@H]1CC[C@@]2([C@@]3(C1)OC=C[C@@]3(C)OC2)C)(C)C	21	0	0.819999999999999951	3	4	0	80.3299999999999983	44.759999999999998	3.29999999999999982	2.33000000000000007	3.20999999999999996	2.20999999999999996	3.04999999999999982	2.81999999999999984	-2.93999999999999995	0.342000000000000026	0.00116000000000000001	Soluble	-2.91000000000000014	0.362999999999999989	0.00122999999999999997	Soluble	-3.06000000000000005	0.255000000000000004	0.000864999999999999992	Soluble	High	Yes	No	No	No	No	No	No	-6.44000000000000039	0	0	0	0	0	0.550000000000000044
1508	234.330000000000013	C15H22O2	\N	\N	1	O=C[C@H]1C(=CC[C@@H]2[C@]1(C)CCCC2(C)C)C=O	17	0	0.729999999999999982	2	2	0	69.4000000000000057	34.1400000000000006	2.02000000000000002	3.22999999999999998	3.16000000000000014	2.54000000000000004	3.5	2.89000000000000012	-3.20000000000000018	0.148999999999999994	0.000636999999999999979	Soluble	-3.62000000000000011	0.0562	0.000240000000000000006	Soluble	-2.99000000000000021	0.239999999999999991	0.00102000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-5.44000000000000039	0	0	0	0	0	0.550000000000000044
1509	376.439999999999998	C21H28O6	\N	\N	1	C/C(=C\\C[C@@H](/C(=C\\OC(=O)C)/C=C/OC(=O)C)OC(=O)C)/C=C/C=C(C)C	27	0	0.380000000000000004	12	6	0	104.549999999999997	78.9000000000000057	4.46999999999999975	4.5	4.29999999999999982	2.99000000000000021	4.41000000000000014	4.12999999999999989	-4.21999999999999975	0.0228000000000000008	6.06999999999999982e-05	Moderately soluble	-5.87999999999999989	0.000498999999999999986	1.32999999999999997e-06	Moderately soluble	-2.12000000000000011	2.87999999999999989	0.00766000000000000014	Soluble	High	No	Yes	No	Yes	Yes	Yes	No	-5.40000000000000036	0	0	1	0	0	0.550000000000000044
1511	266.329999999999984	C15H22O4	\N	\N	1	O=CC1=C[C@H](O)[C@]23OO[C@H]1C[C@@]2(C)CC[C@@H]3C(C)C	19	0	0.800000000000000044	2	4	1	70.7099999999999937	55.759999999999998	2.37999999999999989	1.65999999999999992	2.02000000000000002	1.70999999999999996	2.16000000000000014	1.98999999999999999	-2.41000000000000014	1.05000000000000004	0.00393000000000000033	Soluble	-2.43999999999999995	0.955999999999999961	0.00358999999999999988	Soluble	-1.75	4.70000000000000018	0.0177000000000000005	Soluble	High	Yes	No	No	No	No	No	No	-6.75	0	0	0	0	0	0.550000000000000044
1512	204.349999999999994	C15H24	\N	\N	1	CC(=CCC[C@]1(C)[C@H]2CC[C@@H](C1=C)C2)C	15	0	0.729999999999999982	3	0	0	68.7800000000000011	0	3.35999999999999988	6.19000000000000039	4.73000000000000043	4.62999999999999989	4.54999999999999982	4.69000000000000039	-4.80999999999999961	0.00317000000000000007	1.55000000000000007e-05	Moderately soluble	-5.96999999999999975	0.000216999999999999989	1.06000000000000002e-06	Moderately soluble	-3.79999999999999982	0.0323999999999999982	0.000157999999999999992	Soluble	Low	No	No	No	Yes	Yes	No	No	-3.14999999999999991	1	0	0	0	2	0.550000000000000044
1513	220.349999999999994	C15H24O	\N	\N	1	OC/C(=C\\CC[C@@]1(C)[C@@H]2C[C@@H]3[C@@]1(C)[C@@H]3C2)/C	16	0	0.869999999999999996	4	1	1	68.0400000000000063	20.2300000000000004	3.02000000000000002	3.95999999999999996	3.39000000000000012	3.66999999999999993	3.66000000000000014	3.54000000000000004	-3.43999999999999995	0.080600000000000005	0.000366000000000000006	Soluble	-4.08999999999999986	0.0181000000000000015	8.22000000000000058e-05	Moderately soluble	-3	0.222000000000000003	0.00101000000000000005	Soluble	High	Yes	No	No	Yes	Yes	No	No	-4.83000000000000007	0	0	0	0	1	0.550000000000000044
1514	220.349999999999994	C15H24O	\N	\N	1	OC/C(=C\\CC[C@@]1(C)[C@H]2CC[C@@H](C1=C)C2)/C	16	0	0.729999999999999982	4	1	1	69.9399999999999977	20.2300000000000004	2.93000000000000016	4.94000000000000039	3.70000000000000018	3.56000000000000005	3.95000000000000018	3.81999999999999984	-4.04999999999999982	0.0194000000000000006	8.82000000000000026e-05	Moderately soluble	-5.09999999999999964	0.00174000000000000001	7.9000000000000006e-06	Moderately soluble	-3.24000000000000021	0.126000000000000001	0.000569999999999999977	Soluble	High	Yes	No	No	Yes	Yes	No	No	-4.13999999999999968	0	0	0	0	1	0.550000000000000044
1516	204.349999999999994	C15H24	\N	\N	1	C=C1CCC[C@]2([C@H]1C[C@@H](CC2)C(=C)C)C	15	0	0.729999999999999982	1	0	0	68.7800000000000011	0	3.2799999999999998	5.44000000000000039	4.73000000000000043	4.62999999999999989	4.42999999999999972	4.5	-4.46999999999999975	0.00694999999999999958	3.39999999999999997e-05	Moderately soluble	-5.20000000000000018	0.00129999999999999994	6.36000000000000009e-06	Moderately soluble	-3.79999999999999982	0.0326999999999999999	0.000160000000000000013	Soluble	Low	No	No	No	Yes	Yes	No	No	-3.68000000000000016	1	0	0	0	2	0.550000000000000044
1517	408.490000000000009	C25H28O5	\N	\N	1	CC(=CCc1c2O[C@@H](CC(=O)c2c(c(c1O)CC=C(C)C)O)c1ccc(cc1)O)C	30	12	0.320000000000000007	5	5	3	119.010000000000005	86.9899999999999949	3.62999999999999989	6.24000000000000021	5.20000000000000018	2.81999999999999984	5.54999999999999982	4.69000000000000039	-6.26999999999999957	0.000219000000000000011	5.37000000000000004e-07	Poorly soluble	-7.84999999999999964	5.7300000000000002e-06	1.39999999999999996e-08	Poorly soluble	-5.87000000000000011	0.000550000000000000033	1.34999999999999999e-06	Moderately soluble	High	No	No	No	No	Yes	No	Yes	-4.36000000000000032	0	0	0	0	1	0.550000000000000044
1518	338.439999999999998	C19H30O5	\N	\N	1	CC(=O)O[C@H]1CC(=CCC[C@]2([C@H]([C@@H]([C@@H]1C(C)C)OC(=O)C)O2)C)C	24	0	0.790000000000000036	5	5	0	92.4399999999999977	65.1299999999999955	3.33999999999999986	3.10000000000000009	3.41000000000000014	2.56000000000000005	3.16999999999999993	3.10999999999999988	-3.56000000000000005	0.0928999999999999965	0.000275000000000000017	Soluble	-4.13999999999999968	0.0247999999999999991	7.31000000000000015e-05	Moderately soluble	-2.93000000000000016	0.395000000000000018	0.00117000000000000003	Soluble	High	Yes	No	No	No	No	No	No	-6.16000000000000014	0	0	0	0	0	0.550000000000000044
1519	488.529999999999973	C32H24O5	\N	\N	1	COc1cc2oc3c4c(c2c2c1CC[C@H](O2)c1ccccc1)cc(oc4cc(=O)c3C)c1ccccc1	37	29	0.160000000000000003	3	5	0	145.289999999999992	61.8100000000000023	4.58000000000000007	5.33999999999999986	7.41999999999999993	3.89999999999999991	7.78000000000000025	5.79999999999999982	-6.62000000000000011	0.000119000000000000006	2.42999999999999992e-07	Poorly soluble	-6.38999999999999968	0.000199000000000000012	4.06999999999999978e-07	Poorly soluble	-11.9000000000000004	6.16000000000000044e-10	1.26000000000000008e-12	Insoluble	Low	No	No	Yes	No	No	No	No	-5.49000000000000021	0	3	0	1	1	0.550000000000000044
1520	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	1.46999999999999997	0.359999999999999987	1.21999999999999997	0.239999999999999991	0.979999999999999982	0.849999999999999978	-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
1522	218.330000000000013	C15H22O	\N	\N	1	C=C/C(=C/C/C=C(/CC/C=C(/C=O)\\C)\\C)/C	16	0	0.400000000000000022	7	1	0	72.519999999999996	17.0700000000000003	3.33000000000000007	4.75	4.37999999999999989	3.68000000000000016	4.50999999999999979	4.12999999999999989	-3.7200000000000002	0.0412000000000000005	0.000189000000000000013	Soluble	-4.83999999999999986	0.00317000000000000007	1.45000000000000001e-05	Moderately soluble	-2.93000000000000016	0.258000000000000007	0.00118000000000000006	Soluble	High	Yes	No	No	No	Yes	No	No	-4.25999999999999979	0	0	0	0	1	0.550000000000000044
1523	218.330000000000013	C15H22O	\N	\N	1	C=CC(=C)CC/C=C(/CC/C=C(/C=O)\\C)\\C	16	0	0.400000000000000022	8	1	0	72.519999999999996	17.0700000000000003	3.31999999999999984	4.82000000000000028	4.37999999999999989	3.68000000000000016	4.67999999999999972	4.17999999999999972	-3.70000000000000018	0.0432999999999999982	0.000197999999999999988	Soluble	-4.91000000000000014	0.00268000000000000009	1.23000000000000008e-05	Moderately soluble	-3.29999999999999982	0.109	0.000498999999999999986	Soluble	High	Yes	No	Yes	No	Yes	No	No	-4.20999999999999996	0	0	0	0	1	0.550000000000000044
1524	458.370000000000005	C22H18O11	\N	\N	1	Oc1cc(O)c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1)O)O	33	18	0.140000000000000013	4	11	8	112.060000000000002	197.370000000000005	1.53000000000000003	1.16999999999999993	1.90999999999999992	-0.440000000000000002	0.569999999999999951	0.949999999999999956	-3.56000000000000005	0.127000000000000002	0.000275999999999999987	Soluble	-4.91000000000000014	0.00564000000000000005	1.23000000000000008e-05	Moderately soluble	-2.5	1.45999999999999996	0.0031800000000000001	Soluble	Low	No	No	No	No	No	No	No	-8.26999999999999957	2	0	1	1	3	0.170000000000000012
1525	596.529999999999973	C27H32O15	\N	\N	1	O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccc(c(c2)O)O)O[C@@H]([C@H]1O)CO[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	42	12	0.520000000000000018	6	15	9	136.939999999999998	245.289999999999992	2.06999999999999984	-1.35000000000000009	-1.78000000000000003	-3.24000000000000021	-2.10000000000000009	-1.28000000000000003	-2.5	1.87000000000000011	0.00314	Soluble	-3.29999999999999982	0.297999999999999987	0.00050000000000000001	Soluble	0.100000000000000006	756	1.27000000000000002	Soluble	Low	No	Yes	No	No	No	No	No	-10.9000000000000004	3	4	1	1	3	0.170000000000000012
1526	300.310000000000002	C17H16O5	\N	\N	1	Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)c(C)c(c(c2O)C)O	22	12	0.239999999999999991	1	5	3	81.5	86.9899999999999949	2.31999999999999984	3.12000000000000011	2.79999999999999982	1.19999999999999996	3.06000000000000005	2.5	-4.00999999999999979	0.0297000000000000007	9.88000000000000027e-05	Moderately soluble	-4.62000000000000011	0.00728000000000000001	2.41999999999999987e-05	Moderately soluble	-4.17999999999999972	0.0196999999999999988	6.58000000000000002e-05	Moderately soluble	High	No	Yes	Yes	No	No	Yes	Yes	-5.91999999999999993	0	0	0	0	0	0.550000000000000044
1527	274.269999999999982	C15H14O5	\N	\N	1	Oc1ccc2c(c1)O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O	20	12	0.200000000000000011	1	5	4	72.3100000000000023	90.1500000000000057	1.62000000000000011	0.719999999999999973	1.52000000000000002	0.790000000000000036	1.46999999999999997	1.21999999999999997	-2.37000000000000011	1.15999999999999992	0.00425000000000000031	Soluble	-2.18999999999999995	1.76000000000000001	0.00642999999999999995	Soluble	-2.7200000000000002	0.519000000000000017	0.00188999999999999997	Soluble	High	No	Yes	No	No	No	No	No	-7.45999999999999996	0	0	0	0	0	0.550000000000000044
1529	218.330000000000013	C15H22O	\N	\N	1	O=C1C[C@@H](C)[C@]2(C(=C1)C)CC[C@H](C2)C(=C)C	16	0	0.67000000000000004	1	1	0	68.980000000000004	17.0700000000000003	2.85999999999999988	3.9700000000000002	3.89999999999999991	3.45999999999999996	3.81999999999999984	3.60000000000000009	-3.62999999999999989	0.0512999999999999984	0.000234999999999999993	Soluble	-4.03000000000000025	0.0204000000000000015	9.34999999999999959e-05	Moderately soluble	-3.43999999999999995	0.0795000000000000012	0.000364000000000000011	Soluble	High	Yes	No	No	Yes	Yes	No	No	-4.80999999999999961	0	0	0	0	1	0.550000000000000044
1530	234.330000000000013	C15H22O2	\N	\N	1	C[C@H]1CCC[C@]2([C@]1(C)Cc1c(C2)occ1C)O	17	5	0.729999999999999982	0	2	1	68.769999999999996	33.3699999999999974	2.91000000000000014	3.35999999999999988	3.24000000000000021	2.58000000000000007	3.7799999999999998	3.18000000000000016	-3.62999999999999989	0.0553000000000000019	0.00023599999999999999	Soluble	-3.74000000000000021	0.0427999999999999978	0.000183000000000000003	Soluble	-4.16999999999999993	0.0158000000000000015	6.76000000000000033e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-5.33999999999999986	0	0	0	0	0	0.550000000000000044
1531	204.349999999999994	C15H24	\N	\N	1	CC1=CC[C@]2([C@@]3([C@H]1C3)C(C)(C)CCC2)C	15	0	0.869999999999999996	0	0	0	66.6200000000000045	0	3.16000000000000014	4.75999999999999979	4.55999999999999961	5.65000000000000036	4.29999999999999982	4.49000000000000021	-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
1532	234.330000000000013	C15H22O2	\N	\N	1	C[C@@H]1CC[C@H](C2=C(CC[C@H]12)C)/C=C(/C(=O)O)\\C	17	0	0.67000000000000004	2	2	1	70.8100000000000023	37.2999999999999972	2.60999999999999988	3.24000000000000021	3.79000000000000004	3.35000000000000009	2.99000000000000021	3.20000000000000018	-3.20000000000000018	0.146999999999999992	0.000627999999999999978	Soluble	-3.70000000000000018	0.047100000000000003	0.000201000000000000007	Soluble	-2.29000000000000004	1.20999999999999996	0.00515000000000000006	Soluble	High	Yes	No	No	No	Yes	No	No	-5.42999999999999972	0	0	0	0	0	0.560000000000000053
1533	218.330000000000013	C15H22O	\N	\N	1	O=C1C[C@@H](C)[C@]2(C(=C1)CCC(=C(C)C)C2)C	16	0	0.67000000000000004	0	1	0	68.980000000000004	17.0700000000000003	2.83999999999999986	3.10000000000000009	4.04999999999999982	3.45999999999999996	3.93000000000000016	3.47999999999999998	-3.14999999999999991	0.156	0.000712999999999999984	Soluble	-3.12999999999999989	0.163000000000000006	0.000747000000000000051	Soluble	-3.64000000000000012	0.0500000000000000028	0.00022900000000000001	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.42999999999999972	0	0	0	0	1	0.550000000000000044
1534	218.330000000000013	C15H22O	\N	\N	1	O=C1C[C@@H](C)[C@@]2(C(=C1)C)CCC(=C(C)C)C2	16	0	0.67000000000000004	0	1	0	68.980000000000004	17.0700000000000003	2.89999999999999991	3.20999999999999996	4.04999999999999982	3.45999999999999996	3.93000000000000016	3.50999999999999979	-3.2200000000000002	0.133000000000000007	0.000608000000000000033	Soluble	-3.24000000000000021	0.125	0.00057499999999999999	Soluble	-3.64000000000000012	0.0500000000000000028	0.00022900000000000001	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.34999999999999964	0	0	0	0	1	0.550000000000000044
1536	204.349999999999994	C15H24	\N	\N	1	CC([C@@H]1CC[C@]2([C@H]3[C@@H]1[C@@H]2C(=CC3)C)C)C	15	0	0.869999999999999996	1	0	0	67.1400000000000006	0	3.39000000000000012	4.46999999999999975	4.26999999999999957	5.65000000000000036	3.72999999999999998	4.29999999999999982	-3.85999999999999988	0.0284000000000000016	0.000138999999999999991	Soluble	-4.19000000000000039	0.0131999999999999999	6.45999999999999981e-05	Moderately soluble	-3.06999999999999984	0.173999999999999988	0.000850999999999999977	Soluble	Low	Yes	No	Yes	Yes	Yes	No	No	-4.37000000000000011	1	0	0	0	1	0.550000000000000044
1537	204.349999999999994	C15H24	\N	\N	1	CC(=CCC[C@@H]([C@H]1CC=C(C=C1)C)C)C	15	0	0.599999999999999978	4	0	0	70.6800000000000068	0	3.62999999999999989	5.16999999999999993	4.88999999999999968	4.53000000000000025	4.08999999999999986	4.45999999999999996	-4.09999999999999964	0.0161999999999999991	7.94000000000000055e-05	Moderately soluble	-4.91999999999999993	0.00248	1.20999999999999993e-05	Moderately soluble	-3.10000000000000009	0.162000000000000005	0.000791000000000000036	Soluble	Low	No	No	No	Yes	Yes	No	No	-3.87999999999999989	1	0	0	0	2	0.550000000000000044
1538	272.25	C15H12O5	\N	\N	1	Oc1ccc(cc1)[C@H]1Oc2cc(O)ccc2C(=O)[C@@H]1O	20	12	0.130000000000000004	1	5	3	70.7099999999999937	86.9899999999999949	1.48999999999999999	1.22999999999999998	1.44999999999999996	0.440000000000000002	1.6399999999999999	1.25	-2.68000000000000016	0.567999999999999949	0.00208999999999999984	Soluble	-2.64999999999999991	0.60299999999999998	0.00222000000000000018	Soluble	-3.18999999999999995	0.176999999999999991	0.000648999999999999946	Soluble	High	No	Yes	No	No	No	No	No	-7.08999999999999986	0	0	0	0	0	0.550000000000000044
1539	324.370000000000005	C20H20O4	\N	\N	1	CC(=CCc1c(O)cc(c2c1O[C@@H](CC2=O)c1ccccc1)O)C	24	12	0.25	3	4	2	93.269999999999996	66.7600000000000051	3.08000000000000007	4.66999999999999993	3.99000000000000021	2.37999999999999989	4.21999999999999975	3.66999999999999993	-4.96999999999999975	0.0035100000000000001	1.07999999999999999e-05	Moderately soluble	-5.79999999999999982	0.00051500000000000005	1.59000000000000002e-06	Moderately soluble	-5.24000000000000021	0.00186999999999999992	5.76999999999999981e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-4.95999999999999996	0	0	0	0	0	0.550000000000000044
1540	340.370000000000005	C20H20O5	\N	\N	1	CC(=CCc1c(O)cc(c2c1O[C@H](c1ccccc1)[C@H](C2=O)O)O)C	25	12	0.25	3	5	3	94.4300000000000068	86.9899999999999949	2.87999999999999989	4.12000000000000011	2.95999999999999996	1.55000000000000004	3.33000000000000007	2.9700000000000002	-4.70000000000000018	0.00674000000000000033	1.98000000000000002e-05	Moderately soluble	-5.65000000000000036	0.000756000000000000053	2.21999999999999992e-06	Moderately soluble	-4.41999999999999993	0.0128000000000000006	3.77000000000000016e-05	Moderately soluble	High	No	No	No	No	Yes	Yes	No	-5.45000000000000018	0	0	0	0	0	0.550000000000000044
1541	420.410000000000025	C21H24O9	\N	\N	1	Oc1cc(O)c(c(c1)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)C(=O)CCc1ccc(cc1)O	30	12	0.380000000000000004	6	9	6	104.980000000000004	156.909999999999997	2.04999999999999982	1.32000000000000006	0.82999999999999996	-0.650000000000000022	0.729999999999999982	0.849999999999999978	-3.18000000000000016	0.279000000000000026	0.000663999999999999985	Soluble	-4.21999999999999975	0.0256000000000000012	6.08000000000000006e-05	Moderately soluble	-2.22999999999999998	2.4700000000000002	0.00587000000000000022	Soluble	Low	No	Yes	No	No	No	No	No	-7.92999999999999972	1	0	1	1	2	0.550000000000000044
1542	610.559999999999945	C28H34O15	\N	\N	1	COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)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	43	12	0.540000000000000036	7	15	8	141.409999999999997	234.289999999999992	0.890000000000000013	-0.140000000000000013	-1.47999999999999998	-3.04000000000000004	-1.55000000000000004	-1.06000000000000005	-3.2799999999999998	0.319000000000000006	0.000523000000000000027	Soluble	-4.33000000000000007	0.0287999999999999992	4.72000000000000021e-05	Moderately soluble	-0.57999999999999996	160	0.262000000000000011	Soluble	Low	No	Yes	No	No	No	No	No	-10.1199999999999992	3	4	1	1	4	0.170000000000000012
1544	226.27000000000001	C15H14O2	\N	\N	1	Oc1ccc2c(c1)O[C@@H](CC2)c1ccccc1	17	12	0.200000000000000011	1	2	1	67.0999999999999943	29.4600000000000009	2.35000000000000009	3.45999999999999996	3.12999999999999989	2.81000000000000005	3.39999999999999991	3.0299999999999998	-3.87999999999999989	0.0298999999999999995	0.00013200000000000001	Soluble	-3.75999999999999979	0.0393000000000000016	0.000174000000000000001	Soluble	-4.69000000000000039	0.00466000000000000008	2.05999999999999993e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	No	-5.21999999999999975	0	0	0	0	0	0.550000000000000044
1545	542.490000000000009	C30H22O10	\N	\N	1	Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(c2C(=O)[C@H]1[C@@H]1[C@H](Oc2c(C1=O)c(O)cc(c2)O)c1ccc(cc1)O)O	40	24	0.130000000000000004	3	10	6	141.030000000000001	173.97999999999999	2.29999999999999982	4.62000000000000011	3.83999999999999986	0.57999999999999996	2.85000000000000009	2.83999999999999986	-6.36000000000000032	0.000236999999999999987	4.35999999999999987e-07	Poorly soluble	-8	5.43999999999999958e-06	1.00000000000000002e-08	Poorly soluble	-6.26999999999999957	0.00029300000000000002	5.40999999999999987e-07	Poorly soluble	Low	No	No	No	No	Yes	No	Yes	-6.33000000000000007	2	2	1	1	2	0.170000000000000012
1546	378.420000000000016	C23H22O5	\N	\N	1	COc1c(C(=O)CCc2ccccc2)c(O)cc(c1Cc1ccccc1O)O	28	18	0.170000000000000012	7	5	3	107.939999999999998	86.9899999999999949	2.68000000000000016	4.87000000000000011	4.21999999999999975	2.7200000000000002	4.75	3.85000000000000009	-5.26999999999999957	0.00204000000000000015	5.39999999999999997e-06	Moderately soluble	-6.42999999999999972	0.000139999999999999988	3.70000000000000004e-07	Poorly soluble	-6.94000000000000039	4.36999999999999983e-05	1.16000000000000006e-07	Poorly soluble	High	No	No	Yes	Yes	Yes	Yes	Yes	-5.15000000000000036	0	0	0	0	0	0.550000000000000044
1547	394.5	C25H30O4	\N	\N	1	CC(=CCc1c(cc(c(c1O)O)CC=C(C)C)[C@@H]1CCc2c(O1)cc(cc2)O)C	29	12	0.359999999999999987	5	4	3	118.590000000000003	69.9200000000000017	3.7200000000000002	6.59999999999999964	5.55999999999999961	3.72999999999999998	5.83999999999999986	5.08999999999999986	-6.41999999999999993	0.000149999999999999987	3.80000000000000015e-07	Poorly soluble	-7.87000000000000011	5.33999999999999969e-06	1.35000000000000001e-08	Poorly soluble	-5.99000000000000021	0.000400000000000000019	1.01000000000000007e-06	Moderately soluble	High	No	No	No	No	Yes	No	Yes	-4.01999999999999957	0	0	0	0	1	0.550000000000000044
1548	588.519999999999982	C31H24O12	\N	\N	1	COc1ccc(cc1O)[C@H]1Oc2c(C(=O)[C@@H]1O)c(O)cc(c2[C@@H]1[C@H](Oc2c(C1=O)c(O)cc(c2)O)c1ccc(cc1)O)O	43	24	0.160000000000000003	4	12	7	148.840000000000003	203.439999999999998	2.58000000000000007	3.9700000000000002	3.06000000000000005	-0.479999999999999982	2.45999999999999996	2.31999999999999984	-6.13999999999999968	0.000427000000000000025	7.26000000000000016e-07	Poorly soluble	-7.94000000000000039	6.71000000000000013e-06	1.13999999999999995e-08	Poorly soluble	-5.75999999999999979	0.00102000000000000007	1.72999999999999995e-06	Moderately soluble	Low	No	No	No	No	Yes	No	Yes	-7.07000000000000028	3	2	1	1	3	0.170000000000000012
1550	590.490000000000009	C30H22O13	\N	\N	1	Oc1cc(O)c2c(c1)O[C@@H]([C@H](C2=O)c1c(O)cc(c2c1O[C@H](c1ccc(c(c1)O)O)[C@H](C2=O)O)O)c1ccc(c(c1)O)O	43	24	0.130000000000000004	3	13	9	146.389999999999986	234.669999999999987	2.22999999999999998	2.75999999999999979	2.45999999999999996	-1.14999999999999991	1.42999999999999994	1.55000000000000004	-5.45000000000000018	0.00206999999999999979	3.50999999999999985e-06	Moderately soluble	-7.33999999999999986	2.68000000000000009e-05	4.54000000000000029e-08	Poorly soluble	-4.48000000000000043	0.0195	3.30000000000000025e-05	Moderately soluble	Low	No	No	No	No	Yes	No	No	-7.94000000000000039	3	2	1	1	3	0.170000000000000012
1551	360.310000000000002	C18H16O8	\N	\N	1	COc1c(O)cc2c(c1O)C(=O)[C@@H]([C@H](O2)c1ccc(cc1)O)OC(=O)C	26	12	0.220000000000000001	4	8	3	88.9599999999999937	122.519999999999996	1.97999999999999998	2.37999999999999989	1.73999999999999999	0.0400000000000000008	1.64999999999999991	1.56000000000000005	-3.64999999999999991	0.0805000000000000021	0.000222999999999999999	Soluble	-4.58999999999999986	0.00918000000000000066	2.54999999999999998e-05	Moderately soluble	-3.35000000000000009	0.162000000000000005	0.000451000000000000012	Soluble	High	No	Yes	No	No	No	No	No	-6.80999999999999961	0	0	0	0	0	0.550000000000000044
1552	466.439999999999998	C22H26O11	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2C(=C[C@H]3O)COC(=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	33	6	0.5	7	11	6	108.819999999999993	175.370000000000005	0.699999999999999956	-1.14999999999999991	-1.22999999999999998	-1.19999999999999996	-1.72999999999999998	-0.92000000000000004	-1.67999999999999994	9.75	0.0208999999999999984	Very soluble	-2.04000000000000004	4.25	0.00911000000000000004	Soluble	0.660000000000000031	2130	4.55999999999999961	Soluble	Low	No	No	No	No	No	No	No	-9.96000000000000085	2	1	1	1	3	0.170000000000000012
1553	308.279999999999973	C15H16O7	\N	\N	1	COC(=O)[C@@H]1[C@@H](O)O[C@H]2[C@H]3[C@@H]1C=C[C@@]13OC(=O)/C(=C/C)/[C@@H]1O2	22	0	0.599999999999999978	2	7	1	70.75	91.2900000000000063	2.31999999999999984	0.46000000000000002	-0.110000000000000001	0.709999999999999964	0.100000000000000006	0.699999999999999956	-1.90999999999999992	3.79999999999999982	0.0123000000000000002	Very soluble	-1.94999999999999996	3.49000000000000021	0.0112999999999999993	Very soluble	-0.0700000000000000067	261	0.844999999999999973	Soluble	High	No	Yes	No	No	No	No	No	-7.84999999999999964	0	0	0	0	0	0.550000000000000044
1554	362.329999999999984	C15H22O10	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@]3([C@H]2[C@@]2(C)O[C@H]2[C@H]3O)O)[C@@H]([C@H]([C@@H]1O)O)O	25	0	0.869999999999999996	3	10	6	76.6800000000000068	161.599999999999994	-0.469999999999999973	-3.25	-3.45000000000000018	-2.95999999999999996	-2.79999999999999982	-2.58000000000000007	0.160000000000000003	523	1.43999999999999995	Highly soluble	0.429999999999999993	970	2.68000000000000016	Highly soluble	2.83000000000000007	244000	675	Soluble	Low	No	Yes	No	No	No	No	No	-10.8200000000000003	1	1	1	1	3	0.550000000000000044
1555	414.360000000000014	C18H22O11	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H]4[C@H]2C(=C[C@@H]4OC3=O)COC(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	29	0	0.67000000000000004	6	11	4	89.7099999999999937	161.210000000000008	1.8600000000000001	-2.41999999999999993	-2.29999999999999982	-1.65999999999999992	-1.87999999999999989	-1.28000000000000003	-0.489999999999999991	135	0.325000000000000011	Very soluble	-0.429999999999999993	156	0.376000000000000001	Very soluble	1.46999999999999997	12100	29.3000000000000007	Soluble	Low	No	No	No	No	No	No	No	-10.5500000000000007	1	1	1	1	3	0.110000000000000001
1557	346.329999999999984	C15H22O9	\N	\N	1	OCC1=C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	24	0	0.729999999999999982	4	9	6	77.1500000000000057	149.069999999999993	0.560000000000000053	-3.02000000000000002	-2.79999999999999982	-2.29000000000000004	-2.7799999999999998	-2.06999999999999984	0.179999999999999993	523	1.51000000000000001	Highly soluble	0.450000000000000011	981	2.83000000000000007	Highly soluble	2.75999999999999979	200000	577	Soluble	Low	No	Yes	No	No	No	No	No	-10.5600000000000005	1	1	1	1	2	0.550000000000000044
1558	154.210000000000008	C9H14O2	\N	\N	1	O=C1OC[C@H]2[C@@H](C1)CC[C@H]2C	11	0	0.890000000000000013	0	2	0	42.4299999999999997	26.3000000000000007	1.94999999999999996	1.98999999999999999	1.60000000000000009	1.87999999999999989	1.91999999999999993	1.87000000000000011	-2.04999999999999982	1.37999999999999989	0.00892000000000000084	Soluble	-2.16999999999999993	1.05000000000000004	0.00677999999999999957	Soluble	-1.40999999999999992	6.04000000000000004	0.0391999999999999987	Soluble	High	Yes	No	No	No	No	No	No	-5.83000000000000007	0	1	0	0	1	0.550000000000000044
1559	362.329999999999984	C15H22O10	\N	\N	1	OC[C@@H]1O[C@H](O[C@H]2OC=C[C@H]3[C@@H]2[C@]2(CO)O[C@@H]2[C@@H]3O)[C@H]([C@@H]([C@H]1O)O)O	25	0	0.869999999999999996	4	10	6	76.6400000000000006	161.599999999999994	1.64999999999999991	-3.2200000000000002	-3.58999999999999986	-2.95999999999999996	-2.91000000000000014	-2.20000000000000018	0.209999999999999992	582	1.6100000000000001	Highly soluble	0.400000000000000022	903	2.49000000000000021	Highly soluble	3.0299999999999998	389000	1070	Soluble	Low	No	Yes	No	No	No	No	No	-10.8000000000000007	1	1	1	1	3	0.550000000000000044
1560	316.350000000000023	C18H20O5	\N	\N	1	COc1ccc(cc1)C[C@@H](C(=O)c1ccc(cc1OC)OC)O	23	12	0.280000000000000027	7	5	1	86.5699999999999932	64.9899999999999949	2.00999999999999979	2.85999999999999988	2.5	1.56000000000000005	3.47999999999999998	2.47999999999999998	-3.5299999999999998	0.0940000000000000002	0.000297000000000000009	Soluble	-3.87999999999999989	0.0413000000000000034	0.000131000000000000013	Soluble	-5.11000000000000032	0.00248	7.82999999999999957e-06	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	Yes	-6.20000000000000018	0	0	0	0	0	0.550000000000000044
1561	482.430000000000007	C22H26O12	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3OC(=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	34	6	0.589999999999999969	7	12	6	108.299999999999997	187.900000000000006	2.10999999999999988	-1.34000000000000008	-2.02000000000000002	-1.87000000000000011	-1.87999999999999989	-1	-1.65999999999999992	10.6999999999999993	0.0221000000000000016	Very soluble	-2.10999999999999988	3.77000000000000002	0.00782000000000000056	Soluble	0.939999999999999947	4160	8.63000000000000078	Soluble	Low	No	No	No	No	No	No	No	-10.1899999999999995	2	2	1	1	3	0.170000000000000012
1562	424.480000000000018	C22H32O8	\N	\N	1	CC(CC(=O)OCC1=CO[C@H]([C@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C	30	0	0.770000000000000018	11	8	0	107.109999999999999	100.659999999999997	4.23000000000000043	2.27000000000000002	2.74000000000000021	1.95999999999999996	3.27000000000000002	2.89000000000000012	-3.18000000000000016	0.282999999999999974	0.00066699999999999995	Soluble	-4.01999999999999957	0.0405000000000000013	9.54000000000000014e-05	Moderately soluble	-2.87999999999999989	0.554000000000000048	0.00130999999999999997	Soluble	High	No	No	No	No	No	Yes	Yes	-7.28000000000000025	0	0	1	0	0	0.550000000000000044
1564	244.240000000000009	C14H12O4	\N	\N	1	C/C=C/C=C/1\\C=Cc2c1c(=O)occ2C(=O)OC	18	6	0.140000000000000013	3	4	0	68.269999999999996	56.509999999999998	2.81000000000000005	1.67999999999999994	2.29999999999999982	2.02000000000000002	3.08999999999999986	2.37999999999999989	-2.45999999999999996	0.843999999999999972	0.00345999999999999997	Soluble	-2.47999999999999998	0.80600000000000005	0.00329999999999999998	Soluble	-2.89000000000000012	0.317000000000000004	0.00129999999999999994	Soluble	High	Yes	No	Yes	Yes	No	No	No	-6.59999999999999964	0	0	0	0	0	0.550000000000000044
1565	404.370000000000005	C17H24O11	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2OC=C([C@H]3[C@@H]2[C@@](O)(CO)C=C3)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	28	0	0.709999999999999964	6	11	6	88.0900000000000034	175.370000000000005	1.79000000000000004	-2.81000000000000005	-3.25999999999999979	-2.62000000000000011	-2.79000000000000004	-1.93999999999999995	-0.179999999999999993	267	0.660000000000000031	Very soluble	-0.320000000000000007	194	0.480999999999999983	Very soluble	2.50999999999999979	131000	324	Soluble	Low	No	No	No	No	No	No	No	-10.7599999999999998	2	1	1	1	4	0.110000000000000001
1566	226.22999999999999	C11H14O5	\N	\N	1	COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O	16	0	0.550000000000000044	3	5	2	54.509999999999998	75.9899999999999949	1.93999999999999995	-0.75	-0.0500000000000000028	0.119999999999999996	0.110000000000000001	0.280000000000000027	-0.569999999999999951	60.6000000000000014	0.268000000000000016	Very soluble	-0.369999999999999996	96.7999999999999972	0.427999999999999992	Very soluble	0.0100000000000000002	233	1.03000000000000003	Soluble	High	No	No	No	No	No	No	No	-8.21000000000000085	0	0	0	0	0	0.560000000000000053
1567	388.370000000000005	C17H24O10	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2C(=CC3)CO)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	27	0	0.709999999999999964	6	10	5	86.8900000000000006	155.139999999999986	2.47999999999999998	-2.33999999999999986	-2.22999999999999998	-1.8600000000000001	-1.90999999999999992	-1.16999999999999993	-0.380000000000000004	163	0.418999999999999984	Very soluble	-0.380000000000000004	162	0.415999999999999981	Very soluble	1.68999999999999995	19100	49.1000000000000014	Soluble	Low	No	No	No	No	No	No	No	-10.3300000000000001	0	1	1	1	2	0.110000000000000001
1568	356.319999999999993	C16H20O9	\N	\N	1	C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	25	0	0.560000000000000053	4	9	4	80.4500000000000028	134.909999999999997	1.54000000000000004	-1.22999999999999998	-1.66999999999999993	-1.41999999999999993	-1.20999999999999996	-0.800000000000000044	-1.01000000000000001	34.7999999999999972	0.0976999999999999952	Very soluble	-1.1100000000000001	27.8000000000000007	0.0779999999999999999	Very soluble	1.27000000000000002	6590	18.5	Soluble	Low	No	Yes	No	No	No	No	No	-9.34999999999999964	0	1	0	1	0	0.560000000000000053
1569	494.490000000000009	C24H30O11	\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/c2ccccc2)C[C@H]3O)O)[C@@H]([C@H]([C@@H]1O)O)O	35	6	0.540000000000000036	7	11	6	118.219999999999999	175.370000000000005	2.77000000000000002	-0.609999999999999987	-1.31000000000000005	-1.31000000000000005	-1.01000000000000001	-0.28999999999999998	-2.18999999999999995	3.2200000000000002	0.00651000000000000016	Soluble	-2.60000000000000009	1.23999999999999999	0.00251000000000000008	Soluble	0.160000000000000003	716	1.44999999999999996	Soluble	Low	No	No	No	No	No	No	No	-9.75	2	2	1	1	3	0.170000000000000012
1571	168.22999999999999	C10H16O2	\N	\N	1	O=C[C@@H]([C@H]1CC[C@@H]([C@H]1C=O)C)C	12	0	0.800000000000000044	3	2	0	48.4699999999999989	34.1400000000000006	1.66999999999999993	1.6100000000000001	1.67999999999999994	1.27000000000000002	2.12000000000000011	1.66999999999999993	-1.69999999999999996	3.35999999999999988	0.0200000000000000004	Very soluble	-1.93999999999999995	1.93999999999999995	0.0114999999999999998	Very soluble	-1.29000000000000004	8.63000000000000078	0.0512999999999999984	Soluble	High	Yes	No	No	No	No	No	No	-6.17999999999999972	0	0	0	0	1	0.550000000000000044
1572	168.22999999999999	C10H16O2	\N	\N	1	C[C@H]1CC[C@H]2[C@@H]1COC(=O)[C@H]2C	12	0	0.900000000000000022	0	2	0	47.240000000000002	26.3000000000000007	2.14000000000000012	2.56000000000000005	1.84000000000000008	2.18999999999999995	1.93999999999999995	2.12999999999999989	-2.5	0.537000000000000033	0.00319000000000000013	Soluble	-2.75999999999999979	0.291999999999999982	0.00174000000000000001	Soluble	-1.57000000000000006	4.5	0.0267000000000000015	Soluble	High	Yes	No	No	No	No	No	No	-5.50999999999999979	0	0	0	0	1	0.550000000000000044
1573	290.269999999999982	C15H14O6	\N	\N	1	COC(=O)C1=CO[C@H]2[C@H]3[C@@H]1C=C[C@@]13OC(=O)/C(=C\\C)/[C@@H]1O2	21	0	0.469999999999999973	2	6	0	69.1200000000000045	71.0600000000000023	2.58999999999999986	0.790000000000000036	0.839999999999999969	1.02000000000000002	0.969999999999999973	1.23999999999999999	-2.00999999999999979	2.87000000000000011	0.00987999999999999989	Soluble	-1.8600000000000001	3.97999999999999998	0.0137000000000000004	Very soluble	-0.869999999999999996	39.2999999999999972	0.13600000000000001	Soluble	High	No	No	No	No	No	No	No	-7.50999999999999979	0	0	0	0	0	0.560000000000000053
1574	390.339999999999975	C16H22O11	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@](O)(CO)C=C3)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	27	0	0.689999999999999947	5	11	7	83.769999999999996	186.370000000000005	0.440000000000000002	-3.14000000000000012	-3.35000000000000009	-2.85999999999999988	-3.33000000000000007	-2.45000000000000018	0.0500000000000000028	436	1.12000000000000011	Highly soluble	-0.209999999999999992	243	0.620999999999999996	Very soluble	3.20000000000000018	619000	1580	Soluble	Low	No	No	No	No	No	No	No	-10.9100000000000001	2	1	1	1	4	0.110000000000000001
1575	580.529999999999973	C27H32O14	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](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	12	0.520000000000000018	6	14	8	134.909999999999997	225.060000000000002	1.95999999999999996	-0.440000000000000002	-1.48999999999999999	-2.77000000000000002	-1.6399999999999999	-0.869999999999999996	-2.97999999999999998	0.603999999999999981	0.00103999999999999991	Soluble	-3.81999999999999984	0.0877000000000000002	0.000151000000000000011	Soluble	-0.489999999999999991	187	0.321000000000000008	Soluble	Low	No	Yes	No	No	No	No	No	-10.1500000000000004	3	4	1	1	3	0.170000000000000012
1576	170.25	C10H18O2	\N	\N	1	C[C@@H]1CO[C@@H]([C@H]2[C@@H]1CC[C@@H]2C)O	12	0	1	0	2	1	48.2000000000000028	29.4600000000000009	2.00999999999999979	2.29000000000000004	1.62999999999999989	1.92999999999999994	1.3600000000000001	1.84000000000000008	-2.33999999999999986	0.781000000000000028	0.00459000000000000033	Soluble	-2.54999999999999982	0.483999999999999986	0.00284000000000000008	Soluble	-0.880000000000000004	22.3999999999999986	0.132000000000000006	Soluble	High	Yes	No	No	No	No	No	No	-5.70999999999999996	0	0	0	0	1	0.550000000000000044
1578	166.219999999999999	C10H14O2	\N	\N	1	C[C@H]1CC[C@H]2[C@H]1C(=O)OC=C2C	12	0	0.699999999999999956	0	2	0	46.7700000000000031	26.3000000000000007	2.25999999999999979	1.90999999999999992	2.10999999999999988	2.08000000000000007	1.92999999999999994	2.06000000000000005	-2.06999999999999984	1.39999999999999991	0.00843999999999999959	Soluble	-2.08999999999999986	1.37000000000000011	0.00821000000000000028	Soluble	-1.55000000000000004	4.65000000000000036	0.0280000000000000006	Soluble	High	Yes	No	No	No	No	No	No	-5.95999999999999996	0	0	0	0	1	0.550000000000000044
1579	580.529999999999973	C27H32O14	\N	\N	1	Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)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	41	12	0.520000000000000018	6	14	8	134.909999999999997	225.060000000000002	1.58000000000000007	-0.989999999999999991	-1.48999999999999999	-2.77000000000000002	-1.6399999999999999	-1.06000000000000005	-2.64000000000000012	1.34000000000000008	0.00230999999999999999	Soluble	-3.25	0.326000000000000012	0.000562	Soluble	-0.489999999999999991	187	0.321000000000000008	Soluble	Low	No	Yes	No	No	No	No	No	-10.5399999999999991	3	4	1	1	3	0.170000000000000012
1580	446.430000000000007	C18H22O11S	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H]4[C@H]2C(=C[C@@H]4OC3=O)COC(=O)SC)[C@@H]([C@H]([C@@H]1O)O)O	30	0	0.67000000000000004	7	11	4	97.6899999999999977	186.509999999999991	2.31000000000000005	-1.46999999999999997	-1.3600000000000001	-1.65999999999999992	-1.77000000000000002	-0.790000000000000036	-1.21999999999999997	26.8999999999999986	0.0602999999999999994	Very soluble	-1.93999999999999995	5.09999999999999964	0.0114000000000000004	Very soluble	1.3899999999999999	10900	24.3999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-10.0700000000000003	1	1	1	1	2	0.110000000000000001
1581	290.269999999999982	C15H14O6	\N	\N	1	COC(=O)C1=CO[C@H]2[C@H]3[C@@H]1C=C[C@@]13OC(=O)/C(=C/C)/[C@@H]1O2	21	0	0.469999999999999973	2	6	0	69.1200000000000045	71.0600000000000023	2.58999999999999986	0.790000000000000036	0.839999999999999969	1.02000000000000002	0.969999999999999973	1.23999999999999999	-2.00999999999999979	2.87000000000000011	0.00987999999999999989	Soluble	-1.8600000000000001	3.97999999999999998	0.0137000000000000004	Very soluble	-0.869999999999999996	39.2999999999999972	0.13600000000000001	Soluble	High	No	No	No	No	No	No	No	-7.50999999999999979	0	0	0	0	0	0.560000000000000053
1582	470.420000000000016	C21H26O12	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@]2(C=C3)OC(=O)C(=C2)[C@@H](O)C)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	33	0	0.619999999999999996	6	12	5	104.849999999999994	181.439999999999998	2.10000000000000009	-1.19999999999999996	-2.37999999999999989	-1.82000000000000006	-2.08000000000000007	-1.08000000000000007	-1.60000000000000009	11.6999999999999993	0.0248999999999999985	Very soluble	-2.12000000000000011	3.60000000000000009	0.00764999999999999968	Soluble	1.76000000000000001	26900	57.2999999999999972	Soluble	Low	No	No	No	No	No	No	No	-10.0199999999999996	1	1	1	1	2	0.110000000000000001
1583	404.370000000000005	C17H24O11	\N	\N	1	OCC1=C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	28	0	0.709999999999999964	6	11	6	88.0499999999999972	175.370000000000005	2.2799999999999998	-3.45000000000000018	-3.25999999999999979	-2.62000000000000011	-2.79000000000000004	-1.96999999999999997	0.220000000000000001	675	1.66999999999999993	Highly soluble	0.349999999999999978	897	2.2200000000000002	Highly soluble	2.50999999999999979	131000	324	Soluble	Low	No	No	No	No	No	No	No	-11.2200000000000006	2	1	1	1	4	0.110000000000000001
1585	374.339999999999975	C16H22O10	\N	\N	1	C=C[C@H]1[C@@H](OC=C2[C@@]1(O)CCOC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	26	0	0.689999999999999947	4	10	5	82.1200000000000045	155.139999999999986	1.59000000000000008	-2	-2.47999999999999998	-2.10000000000000009	-1.68999999999999995	-1.33000000000000007	-0.640000000000000013	86.4000000000000057	0.231000000000000011	Very soluble	-0.729999999999999982	69.0999999999999943	0.184999999999999998	Very soluble	1.62000000000000011	15500	41.3999999999999986	Soluble	Low	No	No	No	No	No	No	No	-10	0	1	1	1	1	0.110000000000000001
1586	422.470000000000027	C22H30O8	\N	\N	1	CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C	30	0	0.680000000000000049	11	8	0	106.640000000000001	100.659999999999997	4.33000000000000007	1.76000000000000001	2.66000000000000014	1.87000000000000011	3.25999999999999979	2.7799999999999998	-2.83999999999999986	0.607999999999999985	0.00144000000000000009	Soluble	-3.49000000000000021	0.13600000000000001	0.000322999999999999991	Soluble	-2.87000000000000011	0.572999999999999954	0.0013600000000000001	Soluble	High	No	No	No	No	No	Yes	Yes	-7.62999999999999989	0	0	1	0	0	0.550000000000000044
1587	388.370000000000005	C17H24O10	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@H](C)CC3=O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	27	0	0.760000000000000009	5	10	4	86.4000000000000057	151.97999999999999	1.98999999999999999	-1.5	-1.93999999999999995	-1.8600000000000001	-1.60000000000000009	-0.979999999999999982	-0.969999999999999973	41.2999999999999972	0.105999999999999997	Very soluble	-1.18999999999999995	25.3000000000000007	0.0651000000000000051	Very soluble	1.22999999999999998	6530	16.8000000000000007	Soluble	Low	No	Yes	No	No	No	No	No	-9.73000000000000043	0	1	1	1	1	0.110000000000000001
1588	450.389999999999986	C21H22O11	\N	\N	1	Oc1cc(O)c2c(c1)O[C@H]([C@@H](C2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O	32	12	0.380000000000000004	3	11	7	105.980000000000004	186.370000000000005	1.68999999999999995	-0.140000000000000013	-0.28999999999999998	-1.90999999999999992	-0.869999999999999996	-0.299999999999999989	-2.62000000000000011	1.07000000000000006	0.00238000000000000017	Soluble	-3.31999999999999984	0.215999999999999998	0.000478999999999999988	Soluble	-0.869999999999999996	61.2000000000000028	0.13600000000000001	Soluble	Low	No	Yes	No	No	No	No	No	-9.15000000000000036	2	0	1	1	3	0.170000000000000012
1589	168.22999999999999	C10H16O2	\N	\N	1	C[C@H]1CC[C@H]2[C@@H]1[C@H](O)OC=C2C	12	0	0.800000000000000044	0	2	1	47.7299999999999969	29.4600000000000009	2.20999999999999996	1.89999999999999991	1.89999999999999991	1.78000000000000003	1.34000000000000008	1.83000000000000007	-2.08000000000000007	1.39999999999999991	0.00831999999999999927	Soluble	-2.14000000000000012	1.20999999999999996	0.00721999999999999986	Soluble	-0.859999999999999987	23.1999999999999993	0.138000000000000012	Soluble	High	Yes	No	No	No	No	No	No	-5.98000000000000043	0	0	0	0	1	0.550000000000000044
1590	596.529999999999973	C27H32O15	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](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	12	0.520000000000000018	6	15	9	136.939999999999998	245.289999999999992	1.93999999999999995	-0.800000000000000044	-1.78000000000000003	-3.24000000000000021	-2.10000000000000009	-1.19999999999999996	-2.85000000000000009	0.842999999999999972	0.00141000000000000001	Soluble	-3.87000000000000011	0.0801000000000000045	0.000134000000000000005	Soluble	0.100000000000000006	756	1.27000000000000002	Soluble	Low	No	Yes	No	No	No	No	No	-10.5099999999999998	3	4	1	1	3	0.170000000000000012
1591	610.559999999999945	C28H34O15	\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[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	43	12	0.540000000000000036	7	15	8	141.409999999999997	234.289999999999992	1.41999999999999993	-0.469999999999999973	-1.47999999999999998	-3.04000000000000004	-1.55000000000000004	-1.02000000000000002	-3.06999999999999984	0.515000000000000013	0.000844000000000000024	Soluble	-3.97999999999999998	0.063399999999999998	0.000103999999999999994	Soluble	-0.57999999999999996	160	0.262000000000000011	Soluble	Low	No	Yes	No	No	No	No	No	-10.3599999999999994	3	4	1	1	4	0.170000000000000012
1593	518.509999999999991	C26H30O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2CC=C(C)C)O[C@@H]([C@H](C3=O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	37	12	0.419999999999999984	6	11	7	128.569999999999993	186.370000000000005	2.16999999999999993	1.95999999999999996	0.140000000000000013	-1.19999999999999996	0.800000000000000044	0.770000000000000018	-4.12999999999999989	0.0381000000000000019	7.34999999999999976e-05	Moderately soluble	-5.5	0.00163999999999999996	3.17000000000000014e-06	Moderately soluble	-2.08000000000000007	4.32000000000000028	0.00834000000000000019	Soluble	Low	No	Yes	No	No	No	No	No	-8.07000000000000028	3	1	1	1	3	0.170000000000000012
1594	272.25	C15H12O5	\N	\N	1	Oc1cc2O[C@H](c3ccccc3)[C@H](C(=O)c2c(c1)O)O	20	12	0.130000000000000004	1	5	3	70.7099999999999937	86.9899999999999949	1.73999999999999999	1.65999999999999992	1.44999999999999996	0.440000000000000002	1.6399999999999999	1.3899999999999999	-2.95000000000000018	0.303999999999999992	0.0011199999999999999	Soluble	-3.10000000000000009	0.215999999999999998	0.000792999999999999977	Soluble	-3.18999999999999995	0.176999999999999991	0.000648999999999999946	Soluble	High	No	No	No	No	No	No	No	-6.78000000000000025	0	0	0	0	0	0.550000000000000044
1595	256.25	C15H12O4	\N	\N	1	Oc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1	19	12	0.130000000000000004	1	4	2	69.5499999999999972	66.7600000000000051	2.10999999999999988	2.87999999999999989	2.47999999999999998	1.27000000000000002	2.54999999999999982	2.25999999999999979	-3.64000000000000012	0.0580999999999999989	0.000226999999999999988	Soluble	-3.93999999999999995	0.0292999999999999997	0.000114000000000000006	Soluble	-4	0.0258	0.000101000000000000002	Soluble	High	Yes	No	Yes	Yes	No	No	No	-5.82000000000000028	0	0	0	0	0	0.550000000000000044
1596	564.539999999999964	C27H32O13	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	40	12	0.520000000000000018	6	13	7	132.889999999999986	204.830000000000013	2.5	-0.0800000000000000017	-1.19999999999999996	-2.29000000000000004	-1.16999999999999993	-0.450000000000000011	-3.12000000000000011	0.431999999999999995	0.000765999999999999971	Soluble	-3.77000000000000002	0.096000000000000002	0.000170000000000000012	Soluble	-1.09000000000000008	46.1000000000000014	0.0816999999999999948	Soluble	Low	No	Yes	No	No	No	No	No	-9.80000000000000071	3	4	1	1	3	0.170000000000000012
1597	506.54000000000002	C29H30O8	\N	\N	1	COC(=O)c1ccc(c(c1)[C@H]1c2c(OC)cc(c(c2O[C@@H]1C(O)(C)C)C(=O)CCc1ccccc1)O)O	37	18	0.309999999999999998	9	8	3	137.199999999999989	122.519999999999996	3.81999999999999984	4.62000000000000011	4.37000000000000011	2.14999999999999991	4.95000000000000018	3.97999999999999998	-5.66000000000000014	0.0011199999999999999	2.20000000000000011e-06	Moderately soluble	-6.91999999999999993	6.10999999999999944e-05	1.21000000000000011e-07	Poorly soluble	-7.13999999999999968	3.69999999999999981e-05	7.28999999999999977e-08	Poorly soluble	High	No	Yes	No	No	Yes	Yes	Yes	-6.11000000000000032	1	2	0	0	0	0.550000000000000044
1598	594.559999999999945	C28H34O14	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3O[C@@H](CC(=O)c3c(c2)O)c2ccc(cc2)OC)[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	12	0.540000000000000036	7	14	7	139.379999999999995	214.060000000000002	1.3899999999999999	-0.110000000000000001	-1.18999999999999995	-2.56999999999999984	-1.08000000000000007	-0.709999999999999964	-3.20999999999999996	0.369999999999999996	0.000622000000000000049	Soluble	-3.93000000000000016	0.0695000000000000062	0.000116999999999999998	Soluble	-1.17999999999999994	39.6000000000000014	0.0665000000000000036	Soluble	Low	No	Yes	No	No	No	No	No	-10	3	4	1	1	3	0.170000000000000012
1600	286.279999999999973	C16H14O5	\N	\N	1	COc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccc(cc1)O	21	12	0.190000000000000002	2	5	2	76.0400000000000063	75.9899999999999949	2.41000000000000014	2.85000000000000009	2.49000000000000021	0.959999999999999964	2.56999999999999984	2.25	-3.70000000000000018	0.0570000000000000021	0.000199000000000000012	Soluble	-4.09999999999999964	0.0224999999999999992	7.85999999999999996e-05	Moderately soluble	-4.12000000000000011	0.0218999999999999993	7.66000000000000052e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	No	Yes	-6.01999999999999957	0	0	0	0	0	0.550000000000000044
1601	708.710000000000036	C40H36O12	\N	\N	1	CC(=CC[C@@]12Oc3cc(O)c(c(c3C(=O)[C@]2(O)Oc2c1ccc(c2)O)O)[C@H]1C=C(C)C[C@@H]([C@H]1C(=O)c1ccc(cc1O)O)c1ccc(cc1O)O)C	52	24	0.25	6	12	8	189.300000000000011	214.439999999999998	3.58000000000000007	6.33999999999999986	6.13999999999999968	1.40999999999999992	4.79999999999999982	4.45000000000000018	-8.16999999999999993	4.75000000000000026e-06	6.69999999999999961e-09	Poorly soluble	-10.6300000000000008	1.64999999999999989e-08	2.32999999999999997e-11	Insoluble	-7.38999999999999968	2.86000000000000006e-05	4.03999999999999978e-08	Poorly soluble	Low	No	Yes	No	No	No	No	No	-6.12000000000000011	3	4	1	2	5	0.170000000000000012
1602	708.710000000000036	C40H36O12	\N	\N	1	CC(=CC[C@@]12Oc3cc(O)c(c(c3C(=O)[C@@]2(O)Oc2c1ccc(c2)O)O)[C@@H]1C=C(C)C[C@@H]([C@H]1C(=O)c1ccc(cc1O)O)c1ccc(cc1O)O)C	52	24	0.25	6	12	8	189.300000000000011	214.439999999999998	2.99000000000000021	6.33999999999999986	6.13999999999999968	1.40999999999999992	4.79999999999999982	4.33000000000000007	-8.16999999999999993	4.75000000000000026e-06	6.69999999999999961e-09	Poorly soluble	-10.6300000000000008	1.64999999999999989e-08	2.32999999999999997e-11	Insoluble	-7.38999999999999968	2.86000000000000006e-05	4.03999999999999978e-08	Poorly soluble	Low	No	Yes	No	No	No	No	No	-6.12000000000000011	3	4	1	2	5	0.170000000000000012
1603	168.22999999999999	C10H16O2	\N	\N	1	CC([C@@]12CC[C@@](OO1)(C=C2)C)C	12	0	0.800000000000000044	1	2	0	47.7299999999999969	18.4600000000000009	2.5299999999999998	2.25	2.45000000000000018	2.18999999999999995	2.29000000000000004	2.33999999999999986	-2.22999999999999998	0.979999999999999982	0.00583000000000000011	Soluble	-2.27000000000000002	0.896000000000000019	0.00532000000000000008	Soluble	-1.72999999999999998	3.10999999999999988	0.0184999999999999991	Soluble	High	Yes	No	No	No	No	No	No	-5.73000000000000043	0	0	0	0	1	0.550000000000000044
1604	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	2.54000000000000004	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
1605	136.22999999999999	C10H16	\N	\N	1	CC1=CC[C@H]2[C@@H](C1)C2(C)C	10	0	0.800000000000000044	0	0	0	45.2199999999999989	0	2.62999999999999989	4.37999999999999989	3	4.29000000000000004	2.79000000000000004	3.41999999999999993	-3.43999999999999995	0.0490000000000000019	0.000360000000000000023	Soluble	-4.09999999999999964	0.0109	8.00999999999999954e-05	Moderately soluble	-2.22999999999999998	0.80600000000000005	0.00591999999999999992	Soluble	Low	Yes	No	No	No	Yes	No	No	-4.01999999999999957	1	1	0	0	2	0.550000000000000044
1607	166.219999999999999	C10H14O2	\N	\N	1	CC(=C)[C@H]1CC(=O)[C@]2([C@@H](C1)O2)C	12	0	0.699999999999999956	1	2	0	46.7999999999999972	29.6000000000000014	2.12000000000000011	1.57000000000000006	1.69999999999999996	1.27000000000000002	2.56999999999999984	1.84000000000000008	-1.79000000000000004	2.66999999999999993	0.0160999999999999997	Very soluble	-1.80000000000000004	2.62000000000000011	0.0158000000000000015	Very soluble	-1.90999999999999992	2.04000000000000004	0.0123000000000000002	Soluble	High	Yes	No	No	No	No	No	No	-6.20000000000000018	0	0	0	0	1	0.550000000000000044
1608	168.22999999999999	C10H16O2	\N	\N	1	CC(=C[C@@H]1[C@H](C1(C)C)C(=O)O)C	12	0	0.699999999999999956	2	2	1	49.1099999999999994	37.2999999999999972	2.08000000000000007	3.43000000000000016	2.31000000000000005	2.08000000000000007	1.75	2.33000000000000007	-2.91000000000000014	0.205999999999999989	0.00121999999999999995	Soluble	-3.89000000000000012	0.0214999999999999983	0.000127999999999999994	Soluble	-1.23999999999999999	9.60999999999999943	0.057099999999999998	Soluble	High	Yes	No	No	No	Yes	No	No	-4.88999999999999968	0	0	0	0	1	0.560000000000000053
1609	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
1610	154.25	C10H18O	\N	\N	1	C[C@]12CCC(CC1)C(O2)(C)C	11	0	1	0	1	0	47.1199999999999974	9.23000000000000043	2.58000000000000007	2.74000000000000021	2.74000000000000021	2.45000000000000018	2.85999999999999988	2.66999999999999993	-2.52000000000000002	0.463000000000000023	0.00300000000000000006	Soluble	-2.58999999999999986	0.39800000000000002	0.00257999999999999983	Soluble	-2.45000000000000018	0.54500000000000004	0.00353000000000000015	Soluble	High	Yes	No	No	No	No	No	No	-5.29999999999999982	0	1	0	0	2	0.550000000000000044
1611	316.430000000000007	C20H28O3	\N	\N	1	C/C=C\\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C	23	0	0.599999999999999978	6	3	0	93.8299999999999983	43.3699999999999974	4.19000000000000039	5.49000000000000021	4.38999999999999968	3.47999999999999998	4.87000000000000011	4.48000000000000043	-4.86000000000000032	0.00432000000000000006	1.36999999999999993e-05	Moderately soluble	-6.16000000000000014	0.000219000000000000011	6.94000000000000047e-07	Poorly soluble	-3.83000000000000007	0.0464999999999999997	0.000146999999999999995	Soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-4.33000000000000007	0	0	0	0	1	0.550000000000000044
1612	360.439999999999998	C21H28O5	\N	\N	1	C/C=C\\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)/C=C(/C(=O)OC)\\C	26	0	0.569999999999999951	8	5	0	99.9200000000000017	69.6700000000000017	4.28000000000000025	3.89000000000000012	3.54999999999999982	2.75	4.41000000000000014	3.7799999999999998	-4	0.0362999999999999989	0.000101000000000000002	Soluble	-5.04999999999999982	0.00321000000000000018	8.88999999999999959e-06	Moderately soluble	-3.49000000000000021	0.116000000000000006	0.000320999999999999996	Soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.74000000000000021	0	0	0	0	0	0.550000000000000044
1614	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	2.49000000000000021	3.83000000000000007	2.95999999999999996	2.58999999999999986	2.81999999999999984	2.93999999999999995	-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
1615	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	2.7200000000000002	3.91000000000000014	2.75	2.70000000000000018	2.50999999999999979	2.91999999999999993	-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
1616	168.22999999999999	C10H16O2	\N	\N	1	CC([C@@H]1CCC(=C(C1=O)O)C)C	12	0	0.699999999999999956	1	2	1	49.3699999999999974	37.2999999999999972	2.29000000000000004	2.0299999999999998	2.45000000000000018	1.27000000000000002	2.12000000000000011	2.0299999999999998	-2.10000000000000009	1.35000000000000009	0.00801999999999999935	Soluble	-2.43999999999999995	0.608999999999999986	0.00361999999999999995	Soluble	-1.80000000000000004	2.64000000000000012	0.0156999999999999987	Soluble	High	Yes	No	No	No	No	No	No	-5.87999999999999989	0	0	0	0	1	0.550000000000000044
1617	276.370000000000005	C16H24N2O2	\N	\N	1	CC1=C[C@H]2N3[C@H](C1)C[C@@H]1CCCC(=O)N1[C@H]3CC[C@H]2O	20	0	0.810000000000000053	0	3	1	85.0799999999999983	43.7800000000000011	2.68000000000000016	1.12000000000000011	0.880000000000000004	1.56000000000000005	0.479999999999999982	1.34000000000000008	-2.25999999999999979	1.52000000000000002	0.00551000000000000014	Soluble	-1.62999999999999989	6.44000000000000039	0.0233000000000000013	Very soluble	-1.01000000000000001	27.1000000000000014	0.0981999999999999956	Soluble	High	Yes	Yes	No	No	No	No	No	-7.19000000000000039	0	0	0	0	0	0.550000000000000044
1619	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
1620	262.389999999999986	C16H26N2O	\N	\N	1	C[C@@H]1C[C@@H]2C[C@@H]3CCCC(=O)N3[C@@H]3N2[C@H](C1)CCC3	19	0	0.939999999999999947	0	2	0	84.3900000000000006	23.5500000000000007	2.95000000000000018	2.79999999999999982	1.98999999999999999	2.91999999999999993	1.40999999999999992	2.41000000000000014	-3.22999999999999998	0.153999999999999998	0.000587999999999999981	Soluble	-2.95000000000000018	0.293999999999999984	0.0011199999999999999	Soluble	-1.84000000000000008	3.83000000000000007	0.0146000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-5.91000000000000014	0	0	0	0	0	0.550000000000000044
1621	196.289999999999992	C12H20O2	\N	\N	1	C/C(=C\\COC(=O)C)/CCC=C(C)C	14	0	0.57999999999999996	6	2	0	60.1300000000000026	26.3000000000000007	2.83000000000000007	4.04000000000000004	3.24000000000000021	2.95000000000000018	2.97999999999999998	3.20999999999999996	-3.20999999999999996	0.121999999999999997	0.000622000000000000049	Soluble	-4.29999999999999982	0.00992999999999999959	5.05999999999999967e-05	Moderately soluble	-2.52000000000000002	0.596999999999999975	0.00304000000000000017	Soluble	High	Yes	No	No	No	No	No	No	-4.62999999999999989	0	0	0	0	1	0.550000000000000044
1622	196.289999999999992	C12H20O2	\N	\N	1	C=C[C@](OC(=O)C)(CCC=C(C)C)C	14	0	0.57999999999999996	6	2	0	60.1700000000000017	26.3000000000000007	3.10999999999999988	3.93000000000000016	3.24000000000000021	2.95000000000000018	2.97999999999999998	3.24000000000000021	-3.14000000000000012	0.142999999999999988	0.000729999999999999963	Soluble	-4.17999999999999972	0.0129	6.58000000000000002e-05	Moderately soluble	-2.52000000000000002	0.596999999999999975	0.00304000000000000017	Soluble	High	Yes	No	No	No	No	No	No	-4.70999999999999996	0	0	0	0	1	0.550000000000000044
1624	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	2.72999999999999998	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
1626	136.22999999999999	C10H16	\N	\N	1	C=C/C(=C/CC=C(C)C)/C	10	0	0.400000000000000022	3	0	0	48.759999999999998	0	2.79999999999999982	4.25999999999999979	3.47999999999999998	3.56000000000000005	2.87999999999999989	3.39999999999999991	-3.16999999999999993	0.0919999999999999984	0.000675000000000000036	Soluble	-3.9700000000000002	0.0145000000000000007	0.000106999999999999999	Soluble	-2.04000000000000004	1.23999999999999999	0.00910000000000000045	Soluble	Low	Yes	No	No	No	No	No	No	-4.11000000000000032	0	1	0	0	2	0.550000000000000044
1627	278.389999999999986	C16H26N2O2	\N	\N	1	C[C@@H]1C[C@@H]2C[C@@H]3CCCC(=O)N3[C@@H]3N2[C@H](C1)[C@H](O)CC3	20	0	0.939999999999999947	0	3	1	85.5499999999999972	43.7800000000000011	2.75999999999999979	1.83000000000000007	0.959999999999999964	1.65999999999999992	0.489999999999999991	1.54000000000000004	-2.7200000000000002	0.532000000000000028	0.00191000000000000002	Soluble	-2.37000000000000011	1.18999999999999995	0.00427000000000000036	Soluble	-1.03000000000000003	26.1999999999999993	0.094200000000000006	Soluble	High	Yes	No	No	No	No	No	No	-6.70000000000000018	0	0	0	0	0	0.550000000000000044
1628	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	2.64999999999999991	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
1629	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
1630	136.22999999999999	C10H16	\N	\N	1	CC1=CC[C@@H]2C[C@H]1C2(C)C	10	0	0.800000000000000044	0	0	0	45.2199999999999989	0	2.62999999999999989	4.48000000000000043	3	4.29000000000000004	2.79000000000000004	3.43999999999999995	-3.50999999999999979	0.0424000000000000002	0.000311000000000000024	Soluble	-4.20000000000000018	0.00859000000000000041	6.31000000000000023e-05	Moderately soluble	-2.22999999999999998	0.80600000000000005	0.00591999999999999992	Soluble	Low	Yes	No	No	No	Yes	No	No	-3.95000000000000018	1	1	0	0	2	0.550000000000000044
1632	150.219999999999999	C10H14O	\N	\N	1	C=C1C(=O)C[C@@H]2C[C@H]1C2(C)C	11	0	0.699999999999999956	0	1	0	45.4200000000000017	17.0700000000000003	2.16000000000000014	2.16000000000000014	2.18000000000000016	2.20000000000000018	2.72999999999999998	2.2799999999999998	-2.12999999999999989	1.1100000000000001	0.00738000000000000028	Soluble	-2.14999999999999991	1.06000000000000005	0.0070600000000000003	Soluble	-2.37999999999999989	0.631000000000000005	0.00419999999999999974	Soluble	High	Yes	No	No	No	No	No	No	-5.67999999999999972	0	1	0	0	2	0.550000000000000044
1633	152.22999999999999	C10H16O	\N	\N	1	CC1=CC(=O)[C@@H](CC1)C(C)C	11	0	0.699999999999999956	1	1	0	47.7999999999999972	17.0700000000000003	2.37999999999999989	2.85000000000000009	2.56999999999999984	2.20000000000000018	2.62999999999999989	2.52000000000000002	-2.50999999999999979	0.467000000000000026	0.00306999999999999981	Soluble	-2.87000000000000011	0.20699999999999999	0.0013600000000000001	Soluble	-2.14999999999999991	1.08000000000000007	0.00710000000000000041	Soluble	High	Yes	No	No	No	No	No	No	-5.20999999999999996	0	1	0	0	2	0.550000000000000044
1634	166.219999999999999	C10H14O2	\N	\N	1	O[C@H]1C=C[C@H]([C@H](C1=C)C(=C)C)O	12	0	0.400000000000000022	1	2	2	48.9699999999999989	40.4600000000000009	1.69999999999999996	1.08000000000000007	1.03000000000000003	1.16999999999999993	1.03000000000000003	1.19999999999999996	-1.47999999999999998	5.44000000000000039	0.0326999999999999999	Very soluble	-1.52000000000000002	5	0.0300999999999999983	Very soluble	-0.450000000000000011	59.1000000000000014	0.355999999999999983	Soluble	High	Yes	No	No	No	No	No	No	-6.54999999999999982	0	0	0	0	1	0.550000000000000044
1635	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	2.31999999999999984	3.08000000000000007	2.70999999999999996	2.20000000000000018	2.75999999999999979	2.60999999999999988	-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
1636	372.449999999999989	C22H28O5	\N	\N	1	C=C/C=C\\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)/C=C(/C(=O)OC)\\C	27	0	0.5	9	5	0	104.25	69.6700000000000017	4.20000000000000018	4.29999999999999982	3.70999999999999996	2.89000000000000012	4.82000000000000028	3.97999999999999998	-4.25999999999999979	0.0202999999999999986	5.44000000000000009e-05	Moderately soluble	-5.48000000000000043	0.00124	3.34000000000000021e-06	Moderately soluble	-3.54000000000000004	0.105999999999999997	0.000286000000000000013	Soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.51999999999999957	0	0	0	0	0	0.550000000000000044
1637	166.219999999999999	C10H14O2	\N	\N	1	CC(=C1CC[C@]2([C@@H](C1=O)O2)C)C	12	0	0.699999999999999956	0	2	0	46.7999999999999972	29.6000000000000014	2.20999999999999996	1.83000000000000007	1.84000000000000008	1.27000000000000002	2.68000000000000016	1.96999999999999997	-2.02000000000000002	1.57000000000000006	0.00946999999999999925	Soluble	-2.06999999999999984	1.40999999999999992	0.00847999999999999969	Soluble	-2.10999999999999988	1.29000000000000004	0.00774000000000000035	Soluble	High	Yes	No	No	No	No	No	No	-6.00999999999999979	0	0	0	0	1	0.550000000000000044
1638	136.22999999999999	C10H16	\N	\N	1	CC1=CC=C(CC1)C(C)C	10	0	0.599999999999999978	1	0	0	47.1199999999999974	0	2.70000000000000018	4.25	3.31000000000000005	3.27000000000000002	2.95000000000000018	3.29999999999999982	-3.29999999999999982	0.0689000000000000029	0.000506000000000000048	Soluble	-3.95999999999999996	0.0149	0.000109000000000000007	Soluble	-2.22999999999999998	0.80600000000000005	0.00591999999999999992	Soluble	Low	Yes	No	No	No	No	No	No	-4.11000000000000032	0	1	0	0	2	0.550000000000000044
1639	136.22999999999999	C10H16	\N	\N	1	CC1=CCC(=CC1)C(C)C	10	0	0.599999999999999978	1	0	0	47.1199999999999974	0	2.72999999999999998	4.5	3.31000000000000005	3.27000000000000002	2.95000000000000018	3.35000000000000009	-3.45000000000000018	0.0478999999999999981	0.000351999999999999991	Soluble	-4.21999999999999975	0.00818999999999999936	6.00999999999999972e-05	Moderately soluble	-2.22999999999999998	0.80600000000000005	0.00591999999999999992	Soluble	Low	Yes	No	No	No	No	No	No	-3.93999999999999995	0	1	0	0	2	0.550000000000000044
1640	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	2.50999999999999979	3.39000000000000012	2.5	2.29999999999999982	2.16999999999999993	2.58000000000000007	-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
1641	164.199999999999989	C10H12O2	\N	\N	1	CC(c1cccc(c(=O)c1)O)C	12	7	0.299999999999999989	1	2	1	49.3100000000000023	37.2999999999999972	2.08999999999999986	2.12999999999999989	1.87999999999999989	1.31000000000000005	2.41000000000000014	1.95999999999999996	-2.56999999999999984	0.446000000000000008	0.0027200000000000002	Soluble	-2.54000000000000004	0.468000000000000027	0.0028500000000000001	Soluble	-2.95999999999999996	0.179999999999999993	0.00110000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-5.79000000000000004	0	0	0	0	1	0.550000000000000044
1642	164.199999999999989	C10H12O2	\N	\N	1	CC(c1ccc(=O)c(cc1)O)C	12	7	0.299999999999999989	1	2	1	49.3100000000000023	37.2999999999999972	2.20000000000000018	1.8899999999999999	1.87999999999999989	1.31000000000000005	2.41000000000000014	1.93999999999999995	-2.41000000000000014	0.632000000000000006	0.00385000000000000012	Soluble	-2.29999999999999982	0.830999999999999961	0.00506000000000000026	Soluble	-2.95999999999999996	0.179999999999999993	0.00110000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-5.95999999999999996	0	0	0	0	1	0.550000000000000044
1644	150.219999999999999	C10H14O	\N	\N	1	Cc1ccc(c(c1)O)C(C)C	11	6	0.400000000000000022	1	1	1	48.009999999999998	20.2300000000000004	2.31999999999999984	3.29999999999999982	2.81999999999999984	2.75999999999999979	2.79000000000000004	2.79999999999999982	-3.18999999999999995	0.0974000000000000005	0.000648999999999999946	Soluble	-3.39999999999999991	0.0597000000000000031	0.000398000000000000025	Soluble	-3.00999999999999979	0.145999999999999991	0.000970999999999999966	Soluble	High	Yes	No	Yes	No	No	No	No	-4.87000000000000011	0	1	0	0	2	0.550000000000000044
1645	192.25	C12H16O2	\N	\N	1	CC(=O)Oc1cc(C)ccc1C(C)C	14	6	0.419999999999999984	3	2	0	57.490000000000002	26.3000000000000007	2.60999999999999988	3.5299999999999998	3.04000000000000004	3.12999999999999989	3.20999999999999996	3.10000000000000009	-3.37999999999999989	0.0811000000000000054	0.000422000000000000012	Soluble	-3.77000000000000002	0.0328999999999999987	0.000171000000000000009	Soluble	-3.68999999999999995	0.0395000000000000004	0.000205999999999999993	Soluble	High	Yes	No	No	No	No	No	No	-4.96999999999999975	0	0	0	0	1	0.550000000000000044
1646	150.219999999999999	C10H14O	\N	\N	1	CC1=CC(=O)[C@@]2([C@H]1C2)C(C)C	11	0	0.699999999999999956	1	1	0	45.4200000000000017	17.0700000000000003	2.27000000000000002	1.56000000000000005	2.18000000000000016	2.20000000000000018	2.62000000000000011	2.16000000000000014	-1.68999999999999995	3.08000000000000007	0.0205000000000000009	Very soluble	-1.53000000000000003	4.45000000000000018	0.0296000000000000013	Very soluble	-2.12999999999999989	1.12000000000000011	0.00742999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-6.11000000000000032	0	1	0	0	2	0.550000000000000044
1647	150.219999999999999	C10H14O	\N	\N	1	CC1=CC(=O)[C@@H]2C[C@H]1C2(C)C	11	0	0.699999999999999956	0	1	0	45.4200000000000017	17.0700000000000003	2.18999999999999995	2.22999999999999998	2.18000000000000016	2.20000000000000018	2.45000000000000018	2.25	-2.18000000000000016	1	0.00666000000000000012	Soluble	-2.2200000000000002	0.89700000000000002	0.00596999999999999961	Soluble	-2.12999999999999989	1.12000000000000011	0.00742999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-5.62999999999999989	0	1	0	0	2	0.550000000000000044
1648	228.240000000000009	C14H12O3	\N	\N	1	COc1cc(/C=C/c2ccccc2)oc(=O)c1	17	12	0.0700000000000000067	3	3	0	66.8400000000000034	39.4399999999999977	2.77000000000000002	2.75	2.60000000000000009	2.06000000000000005	3.52000000000000002	2.74000000000000021	-3.31000000000000005	0.111000000000000001	0.00048799999999999999	Soluble	-3.22999999999999998	0.133000000000000007	0.000585000000000000017	Soluble	-4.67999999999999972	0.00479999999999999958	2.09999999999999988e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	No	No	-5.74000000000000021	0	0	0	0	0	0.550000000000000044
1650	270.279999999999973	C16H14O4	\N	\N	1	O=C1C[C@H](Oc2c1c(O)c(c(c2)O)C)c1ccccc1	20	12	0.190000000000000002	1	4	2	74.5100000000000051	66.7600000000000051	2.45000000000000018	3.24000000000000021	2.79000000000000004	1.52000000000000002	3.04000000000000004	2.60999999999999988	-3.93000000000000016	0.0313999999999999974	0.000116000000000000001	Soluble	-4.32000000000000028	0.0131000000000000005	4.83999999999999974e-05	Moderately soluble	-4.37999999999999989	0.0111999999999999999	4.16000000000000015e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	Yes	-5.65000000000000036	0	0	0	0	0	0.550000000000000044
1651	233.349999999999994	C15H23NO	\N	\N	1	C[C@H]1CC[C@@H]2N(C1)[C@@H](CC[C@H]2C)c1ccoc1	17	5	0.729999999999999982	1	2	0	74.3299999999999983	16.379999999999999	3.2200000000000002	3.49000000000000021	3.14999999999999991	2.58000000000000007	2.64000000000000012	3.02000000000000002	-3.64000000000000012	0.0538000000000000006	0.000231000000000000004	Soluble	-3.52000000000000002	0.0709999999999999937	0.000304000000000000017	Soluble	-3.29999999999999982	0.116000000000000006	0.000497000000000000046	Soluble	High	Yes	No	No	No	No	Yes	No	-5.25	0	0	0	0	0	0.550000000000000044
1652	230.259999999999991	C14H14O3	\N	\N	1	COC1=CC(=O)O[C@H](C1)/C=C/c1ccccc1	17	6	0.209999999999999992	3	3	0	65.1599999999999966	35.5300000000000011	2.64000000000000012	2.54000000000000004	2.43999999999999995	1.94999999999999996	2.79999999999999982	2.4700000000000002	-2.93000000000000016	0.270000000000000018	0.00117000000000000003	Soluble	-2.93000000000000016	0.269000000000000017	0.00117000000000000003	Soluble	-3.16000000000000014	0.159000000000000002	0.000692000000000000015	Soluble	High	Yes	No	Yes	Yes	No	No	No	-5.90000000000000036	0	0	0	0	0	0.560000000000000053
1653	274.269999999999982	C15H14O5	\N	\N	1	COC1=CC(=O)O[C@H](C1)/C=C/c1ccc2c(c1)OCO2	20	6	0.270000000000000018	3	5	0	71.2199999999999989	53.990000000000002	2.89999999999999991	2.35999999999999988	2.16999999999999993	1.46999999999999997	2.70999999999999996	2.31999999999999984	-3.04999999999999982	0.243999999999999995	0.000889000000000000033	Soluble	-3.12999999999999989	0.201000000000000012	0.000734999999999999976	Soluble	-2.89999999999999991	0.341000000000000025	0.00124	Soluble	High	Yes	No	Yes	Yes	Yes	No	No	-6.29999999999999982	0	0	0	0	0	0.560000000000000053
1654	346.29000000000002	C17H14O8	\N	\N	1	CC(=O)O[C@@H]1[C@H](Oc2c(C1=O)c(O)cc(c2)O)c1ccc(c(c1)O)O	25	12	0.179999999999999993	3	8	4	84.4899999999999949	133.52000000000001	1.40999999999999992	1.52000000000000002	1.42999999999999994	-0.200000000000000011	1.1100000000000001	1.06000000000000005	-3.10000000000000009	0.274000000000000021	0.000791000000000000036	Soluble	-3.93000000000000016	0.0405000000000000013	0.000116999999999999998	Soluble	-2.64999999999999991	0.770000000000000018	0.00222000000000000018	Soluble	High	No	Yes	No	No	No	No	No	-7.33000000000000007	0	0	0	1	0	0.550000000000000044
1655	354.439999999999998	C22H26O4	\N	\N	1	COc1cc(OC)c2c(c1CC=C(C)C)O[C@@H](C[C@H]2O)c1ccccc1	26	12	0.359999999999999987	5	4	1	102.950000000000003	47.9200000000000017	3.79000000000000004	4.57000000000000028	4.12000000000000011	2.89999999999999991	4.71999999999999975	4.01999999999999957	-4.92999999999999972	0.00417999999999999969	1.18000000000000005e-05	Moderately soluble	-5.29999999999999982	0.0017799999999999999	5.01000000000000031e-06	Moderately soluble	-5.92999999999999972	0.000415000000000000004	1.17000000000000002e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	Yes	Yes	-5.21999999999999975	0	0	0	0	0	0.550000000000000044
1656	914.730000000000018	C44H34O22	\N	\N	1	Oc1cc2O[C@@H]([C@@H](Cc2c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)c1cc(O)c(c(c1c1c(cc(c(c1O)O)O)[C@H]1Oc2cc(O)cc(c2C[C@H]1OC(=O)c1cc(O)c(c(c1)O)O)O)O)O	66	36	0.140000000000000013	9	22	16	223.120000000000005	394.740000000000009	2.10000000000000009	4.16000000000000014	3.79999999999999982	-1.56000000000000005	0.849999999999999978	1.87000000000000011	-7.94000000000000039	1.04999999999999994e-05	1.13999999999999995e-08	Poorly soluble	-12.1600000000000001	6.35999999999999975e-10	6.95999999999999963e-13	Insoluble	-4.58999999999999986	0.0235000000000000001	2.57000000000000013e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-8.92999999999999972	3	3	1	1	5	0.170000000000000012
1658	378.420000000000016	C23H22O5	\N	\N	1	COc1cc(O)c(c(c1C(=O)CCc1ccccc1)O)Cc1ccccc1O	28	18	0.170000000000000012	7	5	3	107.939999999999998	86.9899999999999949	2.81999999999999984	4.87000000000000011	4.21999999999999975	2.7200000000000002	4.75	3.87999999999999989	-5.26999999999999957	0.00204000000000000015	5.39999999999999997e-06	Moderately soluble	-6.42999999999999972	0.000139999999999999988	3.70000000000000004e-07	Poorly soluble	-6.94000000000000039	4.36999999999999983e-05	1.16000000000000006e-07	Poorly soluble	High	No	No	Yes	Yes	Yes	Yes	Yes	-5.15000000000000036	0	0	0	0	0	0.550000000000000044
1659	258.269999999999982	C15H14O4	\N	\N	1	COc1ccc(cc1)/C=C/c1cc(OC)cc(=O)o1	19	12	0.130000000000000004	4	4	0	73.3299999999999983	48.6700000000000017	2.9700000000000002	2.7200000000000002	2.60999999999999988	1.73999999999999999	3.54999999999999982	2.7200000000000002	-3.35999999999999988	0.113000000000000003	0.000438000000000000021	Soluble	-3.39999999999999991	0.103999999999999995	0.000402000000000000014	Soluble	-4.79999999999999982	0.00408000000000000029	1.58000000000000012e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	No	-5.94000000000000039	0	0	0	0	0	0.550000000000000044
1660	360.310000000000002	C18H16O8	\N	\N	1	COc1ccc(cc1O)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)O	26	16	0.170000000000000012	4	8	3	93.4599999999999937	118.590000000000003	2.89999999999999991	3.04000000000000004	2.60000000000000009	-0.349999999999999978	2.64999999999999991	2.16999999999999993	-4.17999999999999972	0.0238000000000000017	6.60000000000000051e-05	Moderately soluble	-5.20000000000000018	0.00228999999999999993	6.37e-06	Moderately soluble	-4.74000000000000021	0.00655999999999999986	1.81999999999999985e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.33999999999999986	0	0	0	0	0	0.550000000000000044
1661	538.460000000000036	C30H18O10	\N	\N	1	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O)O	40	32	0	3	10	6	146.969999999999999	181.800000000000011	3.02000000000000002	5.04000000000000004	5.12999999999999989	0.25	4.61000000000000032	3.60999999999999988	-6.75	9.62999999999999962e-05	1.79000000000000001e-07	Poorly soluble	-8.59999999999999964	1.3599999999999999e-06	2.51999999999999998e-09	Poorly soluble	-8.69999999999999929	1.06999999999999992e-06	1.98000000000000019e-09	Poorly soluble	Low	No	No	No	No	No	No	No	-6.00999999999999979	2	2	1	1	3	0.170000000000000012
1662	538.460000000000036	C30H18O10	\N	\N	1	Oc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2O)O	40	32	0	3	10	6	146.969999999999999	181.800000000000011	3.06000000000000005	5.04000000000000004	5.12999999999999989	0.25	4.61000000000000032	3.62000000000000011	-6.75	9.62999999999999962e-05	1.79000000000000001e-07	Poorly soluble	-8.59999999999999964	1.3599999999999999e-06	2.51999999999999998e-09	Poorly soluble	-8.69999999999999929	1.06999999999999992e-06	1.98000000000000019e-09	Poorly soluble	Low	No	No	No	No	No	No	No	-6.00999999999999979	2	2	1	1	3	0.170000000000000012
1663	298.29000000000002	C17H14O5	\N	\N	1	COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)OC	22	16	0.119999999999999996	3	5	1	82.9300000000000068	68.9000000000000057	2.54999999999999982	3.66999999999999993	3.18000000000000016	1.01000000000000001	3.54999999999999982	2.79000000000000004	-4.33999999999999986	0.0135999999999999992	4.55000000000000014e-05	Moderately soluble	-4.80999999999999961	0.00466000000000000008	1.55999999999999997e-05	Moderately soluble	-5.79999999999999982	0.000473999999999999975	1.59000000000000002e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.50999999999999979	0	0	0	0	0	0.550000000000000044
1665	346.29000000000002	C17H14O8	\N	\N	1	COc1c(O)cc2c(c1O)c(=O)c(c(o2)c1ccc(c(c1)O)O)OC	25	16	0.119999999999999996	3	8	4	89	129.590000000000003	2.37000000000000011	2.45999999999999996	2.29999999999999982	-0.589999999999999969	2.12000000000000011	1.72999999999999998	-3.81000000000000005	0.0533000000000000002	0.000154000000000000003	Soluble	-4.83000000000000007	0.00517999999999999971	1.50000000000000004e-05	Moderately soluble	-4.04999999999999982	0.0309999999999999998	8.94999999999999935e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.66999999999999993	0	0	0	0	0	0.550000000000000044
1666	316.259999999999991	C16H12O7	\N	\N	1	COc1cc(O)cc2c1c(=O)c(c(o2)c1ccc(c(c1)O)O)O	23	16	0.0599999999999999978	2	7	4	82.5	120.359999999999999	1.70999999999999996	1.32000000000000006	2.29000000000000004	-0.309999999999999998	2.06000000000000005	1.40999999999999992	-3.02000000000000002	0.304999999999999993	0.000965999999999999953	Soluble	-3.45000000000000018	0.113000000000000003	0.00035599999999999998	Soluble	-3.93999999999999995	0.0364999999999999977	0.000115000000000000003	Soluble	High	No	No	Yes	No	No	Yes	Yes	-7.29000000000000004	0	0	0	0	0	0.550000000000000044
1667	270.240000000000009	C15H10O5	\N	\N	1	Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1	20	16	0	1	5	3	73.9899999999999949	90.9000000000000057	2.43000000000000016	3.16000000000000014	2.58000000000000007	0.520000000000000018	2.52000000000000002	2.24000000000000021	-4.03000000000000025	0.0251000000000000008	9.2800000000000006e-05	Moderately soluble	-4.74000000000000021	0.00493000000000000035	1.81999999999999985e-05	Moderately soluble	-4.40000000000000036	0.0106999999999999994	3.94000000000000022e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-5.70000000000000018	0	0	0	0	0	0.550000000000000044
1668	312.319999999999993	C18H16O5	\N	\N	1	COc1cc2oc(cc(=O)c2c(c1OC)OC)c1ccccc1	23	16	0.170000000000000012	4	5	0	87.4000000000000057	57.8999999999999986	3.20999999999999996	3.08999999999999986	3.49000000000000021	1.25	4.08000000000000007	3.02000000000000002	-3.9700000000000002	0.0332000000000000003	0.000106000000000000002	Soluble	-3.9700000000000002	0.0332000000000000003	0.000106000000000000002	Soluble	-6.5	9.99000000000000024e-05	3.20000000000000007e-07	Poorly soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-6.00999999999999979	0	0	0	0	0	0.550000000000000044
1669	446.360000000000014	C21H18O11	\N	\N	1	OC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	32	16	0.239999999999999991	4	11	6	106.719999999999999	187.120000000000005	1.75	1.1100000000000001	0.140000000000000013	-1.62999999999999989	-0.100000000000000006	0.25	-3.41000000000000014	0.172999999999999987	0.000386999999999999974	Soluble	-4.62999999999999989	0.0103999999999999995	2.33000000000000005e-05	Moderately soluble	-2.2200000000000002	2.66999999999999993	0.00598000000000000007	Soluble	Low	No	Yes	No	No	No	No	No	-8.23000000000000043	2	0	1	1	3	0.110000000000000001
1670	580.490000000000009	C26H28O15	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)c2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O	41	16	0.419999999999999984	4	15	11	135.280000000000001	271.199999999999989	1.66999999999999993	-2.54000000000000004	-2.70000000000000018	-4.44000000000000039	-1.79000000000000004	-1.95999999999999996	-1.8600000000000001	7.95000000000000018	0.0137000000000000004	Very soluble	-2.60999999999999988	1.41999999999999993	0.00244999999999999992	Soluble	-0.119999999999999996	445	0.767000000000000015	Soluble	Low	No	No	No	No	No	No	No	-11.6400000000000006	3	3	1	1	4	0.170000000000000012
1671	254.240000000000009	C15H10O4	\N	\N	1	Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1	19	16	0	1	4	2	71.9699999999999989	70.6700000000000017	2.27000000000000002	3.52000000000000002	2.87000000000000011	1.08000000000000007	3.02000000000000002	2.54999999999999982	-4.19000000000000039	0.0164000000000000014	6.43999999999999933e-05	Moderately soluble	-4.69000000000000039	0.00521999999999999981	2.05000000000000002e-05	Moderately soluble	-4.98000000000000043	0.00263999999999999999	1.04000000000000004e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.34999999999999964	0	0	0	0	0	0.550000000000000044
1673	374.339999999999975	C19H18O8	\N	\N	1	COc1cc2oc(c3ccc(c(c3)OC)O)c(c(=O)c2c(c1OC)O)OC	27	16	0.209999999999999992	5	8	2	97.9300000000000068	107.590000000000003	3.35000000000000009	3.12000000000000011	2.91000000000000014	-0.119999999999999996	3.18999999999999995	2.49000000000000021	-4.24000000000000021	0.0217999999999999999	5.81999999999999984e-05	Moderately soluble	-5.04999999999999982	0.00335000000000000011	8.95000000000000071e-06	Moderately soluble	-5.42999999999999972	0.00137999999999999993	3.68999999999999982e-06	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-6.37000000000000011	0	0	0	0	0	0.550000000000000044
1674	360.310000000000002	C18H16O8	\N	\N	1	COc1cc(ccc1O)c1oc2cc(OC)c(c(c2c(=O)c1OC)O)O	26	16	0.170000000000000012	4	8	3	93.4599999999999937	118.590000000000003	2.89999999999999991	2.79000000000000004	2.60000000000000009	-0.349999999999999978	2.64999999999999991	2.12000000000000011	-4.01999999999999957	0.0342000000000000012	9.48000000000000004e-05	Moderately soluble	-4.94000000000000039	0.0041700000000000001	1.16000000000000007e-05	Moderately soluble	-4.74000000000000021	0.00655999999999999986	1.81999999999999985e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.51999999999999957	0	0	0	0	0	0.550000000000000044
1675	344.319999999999993	C18H16O7	\N	\N	1	COc1cc2oc(cc(=O)c2c(c1OC)O)c1ccc(c(c1)OC)O	25	16	0.170000000000000012	4	7	2	91.4399999999999977	98.3599999999999994	3.06999999999999984	3.39999999999999991	2.89999999999999991	0.170000000000000012	3.12000000000000011	2.5299999999999998	-4.33000000000000007	0.0161999999999999991	4.72000000000000021e-05	Moderately soluble	-5.13999999999999968	0.00246999999999999997	7.16000000000000006e-06	Moderately soluble	-5.33000000000000007	0.00162999999999999994	4.7199999999999997e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.99000000000000021	0	0	0	0	0	0.550000000000000044
1676	330.29000000000002	C17H14O7	\N	\N	1	COc1cc2oc(cc(=O)c2c(c1OC)O)c1ccc(c(c1)O)O	24	16	0.119999999999999996	3	7	3	86.9699999999999989	109.359999999999999	2.45999999999999996	3.06999999999999984	2.58999999999999986	-0.0700000000000000067	2.58999999999999986	2.12999999999999989	-4.12000000000000011	0.0252000000000000002	7.62999999999999979e-05	Moderately soluble	-5.03000000000000025	0.00305999999999999979	9.25999999999999943e-06	Moderately soluble	-4.62999999999999989	0.00770999999999999984	2.33000000000000005e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.13999999999999968	0	0	0	0	0	0.550000000000000044
1677	538.460000000000036	C30H18O10	\N	\N	1	Oc1ccc(cc1)c1cc(=O)c2c(o1)c(c(cc2O)O)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O	40	32	0	3	10	6	146.969999999999999	181.800000000000011	2.43999999999999995	5.04000000000000004	5.12999999999999989	0.25	4.61000000000000032	3.5	-6.75	9.62999999999999962e-05	1.79000000000000001e-07	Poorly soluble	-8.59999999999999964	1.3599999999999999e-06	2.51999999999999998e-09	Poorly soluble	-8.69999999999999929	1.06999999999999992e-06	1.98000000000000019e-09	Poorly soluble	Low	No	No	No	No	No	No	No	-6.00999999999999979	2	2	1	1	3	0.170000000000000012
1678	296.319999999999993	C18H16O4	\N	\N	1	CC1=C(O)c2c(=O)cc(oc2C(C1=O)(C)C)c1ccccc1	22	12	0.220000000000000001	1	4	1	84.2399999999999949	67.5100000000000051	2.93999999999999995	2.95000000000000018	3.45999999999999996	1.04000000000000004	4.15000000000000036	2.91000000000000014	-3.87000000000000011	0.0396999999999999992	0.000134000000000000005	Soluble	-4.03000000000000025	0.0275999999999999995	9.33000000000000046e-05	Moderately soluble	-5.99000000000000021	0.000304999999999999987	1.03000000000000009e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	Yes	-6.00999999999999979	0	0	0	0	0	0.560000000000000053
1680	270.240000000000009	C15H10O5	\N	\N	1	Oc1ccc(cc1)c1oc2cc(O)ccc2c(=O)c1O	20	16	0	1	5	3	73.9899999999999949	90.9000000000000057	1.72999999999999998	2.68999999999999995	2.58000000000000007	0.520000000000000018	2.52000000000000002	2.00999999999999979	-3.74000000000000021	0.0495999999999999983	0.000184	Soluble	-4.25	0.0151000000000000006	5.59999999999999992e-05	Moderately soluble	-4.40000000000000036	0.0106999999999999994	3.94000000000000022e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-6.04000000000000004	0	0	0	0	0	0.550000000000000044
1681	300.259999999999991	C16H12O6	\N	\N	1	COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O	22	16	0.0599999999999999978	2	6	3	80.480000000000004	100.129999999999995	2.4700000000000002	3.10000000000000009	2.58999999999999986	0.220000000000000001	2.54999999999999982	2.18999999999999995	-4.05999999999999961	0.0261000000000000017	8.68999999999999981e-05	Moderately soluble	-4.87000000000000011	0.00404000000000000019	1.34999999999999995e-05	Moderately soluble	-4.51999999999999957	0.00906999999999999994	3.01999999999999988e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.92999999999999972	0	0	0	0	0	0.550000000000000044
1682	608.539999999999964	C28H32O15	\N	\N	1	COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)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	43	16	0.46000000000000002	7	15	8	143.819999999999993	238.199999999999989	2.66000000000000014	0.140000000000000013	-1.09000000000000008	-3.22999999999999998	-1.08000000000000007	-0.520000000000000018	-3.50999999999999979	0.185999999999999999	0.000306000000000000011	Soluble	-4.70000000000000018	0.0122000000000000008	2.00000000000000016e-05	Moderately soluble	-1.57000000000000006	16.5	0.0269999999999999997	Soluble	Low	No	Yes	No	No	No	No	No	-9.91000000000000014	3	4	1	1	4	0.170000000000000012
1683	344.319999999999993	C18H16O7	\N	\N	1	COc1cc(ccc1OC)c1cc(=O)c2c(o1)cc(c(c2O)OC)O	25	16	0.170000000000000012	4	7	2	91.4399999999999977	98.3599999999999994	3.10999999999999988	3.39999999999999991	2.89999999999999991	0.170000000000000012	3.12000000000000011	2.54000000000000004	-4.33000000000000007	0.0161999999999999991	4.72000000000000021e-05	Moderately soluble	-5.13999999999999968	0.00246999999999999997	7.16000000000000006e-06	Moderately soluble	-5.33000000000000007	0.00162999999999999994	4.7199999999999997e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.99000000000000021	0	0	0	0	0	0.550000000000000044
1684	286.240000000000009	C15H10O6	\N	\N	1	Oc1ccc2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O	21	16	0	1	6	4	76.0100000000000051	111.129999999999995	1.5	1.96999999999999997	2.2799999999999998	-0.0299999999999999989	2.0299999999999998	1.55000000000000004	-3.35000000000000009	0.127000000000000002	0.00044299999999999998	Soluble	-3.93000000000000016	0.0337000000000000008	0.000117999999999999995	Soluble	-3.81999999999999984	0.0429000000000000006	0.000149999999999999987	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.65000000000000036	0	0	0	0	0	0.550000000000000044
1686	312.319999999999993	C18H16O5	\N	\N	1	COc1cc(OC)c2c(c1)oc(c(c2=O)OC)c1ccccc1	23	16	0.170000000000000012	4	5	0	87.4000000000000057	57.8999999999999986	3.16000000000000014	3.29999999999999982	3.49000000000000021	1.25	4.08000000000000007	3.04999999999999982	-4.11000000000000032	0.0245000000000000009	7.83000000000000059e-05	Moderately soluble	-4.19000000000000039	0.0200999999999999998	6.43000000000000044e-05	Moderately soluble	-6.5	9.99000000000000024e-05	3.20000000000000007e-07	Poorly soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.86000000000000032	0	0	0	0	0	0.550000000000000044
1687	284.259999999999991	C16H12O5	\N	\N	1	COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(cc1)O	21	16	0.0599999999999999978	2	5	2	78.4599999999999937	79.9000000000000057	2.47999999999999998	3.35000000000000009	2.87999999999999989	0.770000000000000018	3.0299999999999998	2.5	-4.13999999999999968	0.0204000000000000015	7.16999999999999945e-05	Moderately soluble	-4.70999999999999996	0.00559999999999999994	1.97000000000000011e-05	Moderately soluble	-5.09999999999999964	0.00224999999999999983	7.9100000000000005e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.66000000000000014	0	0	0	0	0	0.550000000000000044
1688	284.259999999999991	C16H12O5	\N	\N	1	COc1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2)O	21	16	0.0599999999999999978	2	5	2	78.4599999999999937	79.9000000000000057	2.33999999999999986	3.24000000000000021	2.87999999999999989	0.770000000000000018	3.0299999999999998	2.45000000000000018	-4.08000000000000007	0.0239000000000000011	8.40999999999999978e-05	Moderately soluble	-4.58999999999999986	0.00728999999999999961	2.55999999999999988e-05	Moderately soluble	-5.09999999999999964	0.00224999999999999983	7.9100000000000005e-06	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-5.73000000000000043	0	0	0	0	0	0.550000000000000044
1689	566.509999999999991	C32H22O10	\N	\N	1	COc1ccc(cc1c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O)c1cc(=O)c2c(o1)cc(cc2O)OC	42	32	0.0599999999999999978	5	10	4	155.909999999999997	159.800000000000011	3.93999999999999995	5.69000000000000039	5.74000000000000021	0.630000000000000004	5.71999999999999975	4.33999999999999986	-7.16999999999999993	3.82000000000000002e-05	6.75000000000000022e-08	Poorly soluble	-8.8100000000000005	8.74000000000000018e-07	1.54000000000000006e-09	Poorly soluble	-10.0700000000000003	4.77999999999999979e-08	8.42999999999999958e-11	Insoluble	Low	No	No	No	No	Yes	No	No	-5.71999999999999975	1	3	1	1	2	0.550000000000000044
1690	338.350000000000023	C20H18O5	\N	\N	1	CC(=CCc1c(O)cc(c2c1oc(c1ccccc1)c(c2=O)O)O)C	25	16	0.149999999999999994	3	5	3	97.7099999999999937	90.9000000000000057	2.9700000000000002	4.79999999999999982	4.08999999999999986	1.6399999999999999	4.20999999999999996	3.54000000000000004	-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
1691	464.379999999999995	C21H20O12	\N	\N	1	C[C@@H]1O[C@@H](Oc2c(O)cc(c3c2oc(c2ccc(c(c2)O)O)c(c3=O)O)O)[C@@H]([C@@H]([C@H]1O)O)O	33	16	0.28999999999999998	3	12	8	111.019999999999996	210.509999999999991	1.02000000000000002	0.510000000000000009	0.190000000000000002	-2.31999999999999984	-0.46000000000000002	-0.209999999999999992	-3.20000000000000018	0.291999999999999982	0.000629000000000000002	Soluble	-4.5	0.0146000000000000001	3.15e-05	Moderately soluble	-1.48999999999999999	14.9000000000000004	0.0320999999999999966	Soluble	Low	No	No	No	No	No	No	No	-8.76999999999999957	2	0	1	1	3	0.170000000000000012
1693	274.230000000000018	C14H10O6	\N	\N	1	COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O	20	14	0.0700000000000000067	1	6	3	72.5499999999999972	100.129999999999995	2.35999999999999988	2.41999999999999993	2.06999999999999984	0.0200000000000000004	2	1.77000000000000002	-3.52000000000000002	0.0834000000000000019	0.000304000000000000017	Soluble	-4.16999999999999993	0.0187000000000000013	6.83999999999999956e-05	Moderately soluble	-3.68999999999999995	0.0560999999999999971	0.000204999999999999996	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.25	0	0	0	0	0	0.550000000000000044
1694	296.319999999999993	C18H16O4	\N	\N	1	CC(=CCc1ccc2c(c1O)oc1c(c2=O)c(O)ccc1)C	22	14	0.170000000000000012	2	4	2	87.7600000000000051	70.6700000000000017	3.10000000000000009	4.73000000000000043	3.87000000000000011	2.04000000000000004	4.12000000000000011	3.56999999999999984	-5	0.00299000000000000004	1.00999999999999999e-05	Moderately soluble	-5.94000000000000039	0.000337000000000000006	1.1400000000000001e-06	Moderately soluble	-5.40000000000000036	0.00119000000000000009	4.00999999999999972e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	No	-4.75	0	0	0	0	0	0.550000000000000044
1695	294.300000000000011	C18H14O4	\N	\N	1	Oc1cccc2c1c(=O)c1c(o2)c2OC(C)(C)C=Cc2cc1	22	14	0.170000000000000012	0	4	1	86.1299999999999955	59.6700000000000017	3.12000000000000011	4.08000000000000007	3.72999999999999998	2.04000000000000004	3.85000000000000009	3.35999999999999988	-4.70999999999999996	0.00579000000000000001	1.97000000000000011e-05	Moderately soluble	-5.04000000000000004	0.00270000000000000014	9.16000000000000039e-06	Moderately soluble	-5.57000000000000028	0.000794000000000000001	2.69999999999999998e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	Yes	-5.20000000000000018	0	0	0	0	0	0.550000000000000044
1696	260.199999999999989	C13H8O6	\N	\N	1	Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O	19	14	0	0	6	4	68.0799999999999983	111.129999999999995	1.62000000000000011	2.08999999999999986	1.77000000000000002	-0.239999999999999991	1.48999999999999999	1.35000000000000009	-3.31999999999999984	0.126000000000000001	0.000484000000000000001	Soluble	-4.04999999999999982	0.0229999999999999996	8.83999999999999939e-05	Moderately soluble	-2.99000000000000021	0.266000000000000014	0.00102000000000000007	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.40000000000000036	0	0	0	0	0	0.550000000000000044
1697	538.460000000000036	C30H18O10	\N	\N	1	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O)O	40	32	0	4	10	5	146.030000000000001	170.800000000000011	3.5299999999999998	5.65000000000000036	5.54999999999999982	0.520000000000000018	4.62999999999999989	3.97999999999999998	-7.07000000000000028	4.63000000000000006e-05	8.58999999999999949e-08	Poorly soluble	-9	5.37000000000000004e-07	9.98000000000000069e-10	Poorly soluble	-9.01999999999999957	5.15000000000000046e-07	9.56999999999999901e-10	Poorly soluble	Low	No	No	No	No	Yes	No	No	-5.57000000000000028	1	2	1	1	2	0.550000000000000044
1698	300.259999999999991	C16H12O6	\N	\N	1	COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O	22	16	0.0599999999999999978	2	6	3	80.480000000000004	100.129999999999995	2.27000000000000002	2.99000000000000021	2.58999999999999986	0.220000000000000001	2.54999999999999982	2.12000000000000011	-3.99000000000000021	0.0305999999999999987	0.000101999999999999999	Soluble	-4.75999999999999979	0.00525999999999999992	1.74999999999999985e-05	Moderately soluble	-4.51999999999999957	0.00906999999999999994	3.01999999999999988e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-6.00999999999999979	0	0	0	0	0	0.550000000000000044
1699	310.300000000000011	C18H14O5	\N	\N	1	Oc1c2C=CC(Oc2cc2c1c(=O)c1c(o2)c(O)ccc1)(C)C	23	14	0.170000000000000012	0	5	2	88.1599999999999966	79.9000000000000057	2.93000000000000016	3.72999999999999998	3.43000000000000016	1.47999999999999998	3.35999999999999988	2.99000000000000021	-4.55999999999999961	0.00846000000000000051	2.72999999999999995e-05	Moderately soluble	-5.09999999999999964	0.00246999999999999997	7.95000000000000012e-06	Moderately soluble	-4.99000000000000021	0.00320000000000000015	1.02999999999999996e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.54000000000000004	0	0	0	0	0	0.550000000000000044
1701	228.199999999999989	C13H8O4	\N	\N	1	Oc1ccc2c(c1)c(=O)c1c(o2)cccc1O	17	14	0	0	4	2	64.0400000000000063	70.6700000000000017	2	2.79999999999999982	2.35999999999999988	0.869999999999999996	2.47999999999999998	2.10000000000000009	-3.62999999999999989	0.0536999999999999977	0.000234999999999999993	Soluble	-3.93999999999999995	0.0262000000000000011	0.000115000000000000003	Soluble	-4.13999999999999968	0.0164000000000000014	7.1799999999999997e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.70000000000000018	0	0	0	0	0	0.550000000000000044
1702	396.430000000000007	C23H24O6	\N	\N	1	CC(=CCc1c(O)c(CC=C(C)C)c(c2c1oc1c(O)ccc(c1c2=O)O)O)C	29	14	0.260000000000000009	4	6	4	115.519999999999996	111.129999999999995	3.79999999999999982	5.95000000000000018	4.79000000000000004	1.97999999999999998	4.95999999999999996	4.29999999999999982	-6.13999999999999968	0.000286999999999999983	7.25000000000000047e-07	Poorly soluble	-8.0600000000000005	3.45999999999999991e-06	8.71999999999999967e-09	Poorly soluble	-5.45000000000000018	0.00139999999999999999	3.53999999999999999e-06	Moderately soluble	High	No	No	Yes	No	Yes	No	No	-4.49000000000000021	0	0	0	0	1	0.550000000000000044
1703	288.25	C15H12O6	\N	\N	1	COc1cc(O)c2c(c1)oc1c(c2=O)c(OC)c(cc1)O	21	14	0.130000000000000004	2	6	2	77.019999999999996	89.1299999999999955	2.54000000000000004	2.75	2.37000000000000011	0.280000000000000027	2.52000000000000002	2.08999999999999986	-3.7200000000000002	0.0548000000000000015	0.00019000000000000001	Soluble	-4.28000000000000025	0.0152	5.28999999999999983e-05	Moderately soluble	-4.38999999999999968	0.0117999999999999997	4.10000000000000005e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.11000000000000032	0	0	0	0	0	0.550000000000000044
1704	244.199999999999989	C13H8O5	\N	\N	1	Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O	18	14	0	0	5	3	66.0600000000000023	90.9000000000000057	1.64999999999999991	2.45000000000000018	2.06000000000000005	0.299999999999999989	1.97999999999999998	1.68999999999999995	-3.4700000000000002	0.0821999999999999953	0.000335999999999999981	Soluble	-4	0.0242999999999999987	9.94000000000000038e-05	Moderately soluble	-3.56999999999999984	0.0660000000000000031	0.000270000000000000003	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.04999999999999982	0	0	0	0	0	0.550000000000000044
1705	436.370000000000005	C20H20O11	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)c1c(o2)c(OC)c(cc1)O	31	14	0.349999999999999978	3	11	7	105.170000000000002	190.280000000000001	1.84000000000000008	-0.0400000000000000008	-0.739999999999999991	-2.43000000000000016	-0.140000000000000013	-0.299999999999999989	-2.66000000000000014	0.961999999999999966	0.00221000000000000016	Soluble	-3.50999999999999979	0.13600000000000001	0.000311999999999999994	Soluble	-1.65999999999999992	9.55000000000000071	0.0218999999999999993	Soluble	Low	No	No	No	No	No	No	No	-8.99000000000000021	2	1	1	1	3	0.170000000000000012
1707	274.230000000000018	C14H10O6	\N	\N	1	COc1cc2oc3cc(O)cc(c3c(=O)c2cc1O)O	20	14	0.0700000000000000067	1	6	3	72.5499999999999972	100.129999999999995	2.08999999999999986	2.41999999999999993	2.06999999999999984	0.0200000000000000004	2	1.71999999999999997	-3.52000000000000002	0.0834000000000000019	0.000304000000000000017	Soluble	-4.16999999999999993	0.0187000000000000013	6.83999999999999956e-05	Moderately soluble	-3.68999999999999995	0.0560999999999999971	0.000204999999999999996	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.25	0	0	0	0	0	0.550000000000000044
1708	258.230000000000018	C14H10O5	\N	\N	1	COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O	19	14	0.0700000000000000067	1	5	2	70.5300000000000011	79.9000000000000057	2.25999999999999979	2.77000000000000002	2.37000000000000011	0.569999999999999951	2.47999999999999998	2.08999999999999986	-3.66999999999999993	0.0558000000000000024	0.000215999999999999992	Soluble	-4.09999999999999964	0.0202999999999999986	7.88000000000000045e-05	Moderately soluble	-4.26999999999999957	0.0138999999999999992	5.37999999999999999e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-5.91000000000000014	0	0	0	0	0	0.550000000000000044
1709	410.45999999999998	C24H26O6	\N	\N	1	COc1c(O)cc2c(c1CC=C(C)C)c(=O)c1c(o2)cc(c2c1OC(C)(C)CC2)O	30	14	0.380000000000000004	3	6	2	118.049999999999997	89.1299999999999955	3.70999999999999996	5.12999999999999989	4.98000000000000043	2.25999999999999979	5.58000000000000007	4.33000000000000007	-5.75999999999999979	0.000706999999999999946	1.72000000000000005e-06	Moderately soluble	-6.75	7.36000000000000001e-05	1.79000000000000001e-07	Poorly soluble	-6.78000000000000025	6.81000000000000019e-05	1.66000000000000004e-07	Poorly soluble	High	No	No	No	Yes	Yes	No	No	-5.16000000000000014	0	0	0	0	1	0.550000000000000044
1710	302.240000000000009	C15H10O7	\N	\N	1	Oc1ccc(cc1O)c1cc(=O)c2c(o1)cc(c(c2O)O)O	22	16	0	1	7	5	78.0300000000000011	131.360000000000014	1.93999999999999995	2.16999999999999993	1.98999999999999999	-0.560000000000000053	1.54000000000000004	1.41999999999999993	-3.54999999999999982	0.0845999999999999946	0.000279999999999999975	Soluble	-4.55999999999999961	0.00829000000000000049	2.73999999999999985e-05	Moderately soluble	-3.24000000000000021	0.172999999999999987	0.00057300000000000005	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.59999999999999964	0	0	0	0	0	0.550000000000000044
1711	464.379999999999995	C21H20O12	\N	\N	1	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@H]1O)O)O	33	16	0.28999999999999998	4	12	8	110.159999999999997	210.509999999999991	1.44999999999999996	0.359999999999999987	-0.540000000000000036	-2.58999999999999986	-0.589999999999999969	-0.380000000000000004	-3.04000000000000004	0.422999999999999987	0.000910000000000000002	Soluble	-4.34999999999999964	0.0210000000000000013	4.50999999999999985e-05	Moderately soluble	-1.51000000000000001	14.3000000000000007	0.030800000000000001	Soluble	Low	No	No	No	No	No	No	No	-8.88000000000000078	2	1	1	1	3	0.170000000000000012
1712	326.300000000000011	C18H14O6	\N	\N	1	Oc1ccc2c(c1O)oc1c(c2=O)c(O)c2c(c1)OC(C=C2)(C)C	24	14	0.170000000000000012	0	6	3	90.1800000000000068	100.129999999999995	2.79999999999999982	3.37000000000000011	3.14000000000000012	0.930000000000000049	2.87000000000000011	2.62000000000000011	-4.41999999999999993	0.0125000000000000007	3.82000000000000002e-05	Moderately soluble	-5.15000000000000036	0.00229999999999999996	7.06000000000000017e-06	Moderately soluble	-4.40000000000000036	0.0129	3.94999999999999979e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.90000000000000036	0	0	0	0	0	0.550000000000000044
1714	394.420000000000016	C23H22O6	\N	\N	1	C=CC(c1c2OC(C)(C)C=Cc2c(c2c1oc1c(O)c(O)ccc1c2=O)O)(C)C	29	14	0.260000000000000009	2	6	3	113.780000000000001	100.129999999999995	3.18999999999999995	5.32000000000000028	4.59999999999999964	1.97999999999999998	4.62000000000000011	3.93999999999999995	-5.86000000000000032	0.000541999999999999947	1.37000000000000001e-06	Moderately soluble	-7.16999999999999993	2.64000000000000013e-05	6.68999999999999969e-08	Poorly soluble	-5.62000000000000011	0.000937000000000000007	2.38000000000000008e-06	Moderately soluble	High	No	No	No	No	Yes	No	No	-4.92999999999999972	0	0	0	0	1	0.550000000000000044
1715	422.339999999999975	C19H18O11	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)c1c(o2)cc(c(c1)O)O	30	14	0.320000000000000007	2	11	8	100.700000000000003	201.280000000000001	0.890000000000000013	-0.369999999999999996	-1.04000000000000004	-2.66000000000000014	-0.680000000000000049	-0.770000000000000018	-2.43999999999999995	1.54000000000000004	0.00364000000000000001	Soluble	-3.39000000000000012	0.170000000000000012	0.000404000000000000008	Soluble	-0.969999999999999973	45.2000000000000028	0.106999999999999998	Soluble	Low	No	No	No	No	No	No	No	-9.14000000000000057	2	1	1	1	3	0.170000000000000012
1716	302.240000000000009	C15H10O7	\N	\N	1	Oc1cc(ccc1O)c1cc(=O)c2c(o1)c(O)c(cc2O)O	22	16	0	1	7	5	78.0300000000000011	131.360000000000014	1.55000000000000004	2.16999999999999993	1.98999999999999999	-0.560000000000000053	1.54000000000000004	1.34000000000000008	-3.54999999999999982	0.0845999999999999946	0.000279999999999999975	Soluble	-4.55999999999999961	0.00829000000000000049	2.73999999999999985e-05	Moderately soluble	-3.24000000000000021	0.172999999999999987	0.00057300000000000005	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.59999999999999964	0	0	0	0	0	0.550000000000000044
1717	302.240000000000009	C15H10O7	\N	\N	1	Oc1cc(O)c2c(c1)oc(cc2=O)c1cc(O)c(cc1O)O	22	16	0	1	7	5	78.0300000000000011	131.360000000000014	1.66999999999999993	2.16999999999999993	1.98999999999999999	-0.560000000000000053	1.54000000000000004	1.3600000000000001	-3.54999999999999982	0.0845999999999999946	0.000279999999999999975	Soluble	-4.55999999999999961	0.00829000000000000049	2.73999999999999985e-05	Moderately soluble	-3.24000000000000021	0.172999999999999987	0.00057300000000000005	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.59999999999999964	0	0	0	0	0	0.550000000000000044
1718	410.45999999999998	C24H26O6	\N	\N	1	COc1c(O)cc2c(c1CC=C(C)C)c(=O)c1c(o2)cc(c(c1O)CC=C(C)C)O	30	14	0.28999999999999998	5	6	3	119.989999999999995	100.129999999999995	4.13999999999999968	6.26999999999999957	5.08999999999999986	2.18999999999999995	5.51999999999999957	4.63999999999999968	-6.34999999999999964	0.000183000000000000003	4.45999999999999997e-07	Poorly soluble	-8.16000000000000014	2.83999999999999991e-06	6.91000000000000033e-09	Poorly soluble	-6.13999999999999968	0.000297000000000000009	7.23000000000000002e-07	Poorly soluble	High	No	No	No	No	Yes	No	No	-4.34999999999999964	0	0	0	0	1	0.550000000000000044
1719	258.230000000000018	C14H10O5	\N	\N	1	COc1cc(O)c2c(c1)oc1c(c2=O)cccc1O	19	14	0.0700000000000000067	1	5	2	70.5300000000000011	79.9000000000000057	2.39999999999999991	2.77000000000000002	2.37000000000000011	0.569999999999999951	2.47999999999999998	2.12000000000000011	-3.66999999999999993	0.0558000000000000024	0.000215999999999999992	Soluble	-4.09999999999999964	0.0202999999999999986	7.88000000000000045e-05	Moderately soluble	-4.26999999999999957	0.0138999999999999992	5.37999999999999999e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-5.91000000000000014	0	0	0	0	0	0.550000000000000044
1721	288.25	C15H12O6	\N	\N	1	COc1cc(O)c2c(c1)oc1c(c2=O)c(O)c(cc1)OC	21	14	0.130000000000000004	2	6	2	77.019999999999996	89.1299999999999955	2.75	2.75	2.37000000000000011	0.280000000000000027	2.52000000000000002	2.12999999999999989	-3.7200000000000002	0.0548000000000000015	0.00019000000000000001	Soluble	-4.28000000000000025	0.0152	5.28999999999999983e-05	Moderately soluble	-4.38999999999999968	0.0117999999999999997	4.10000000000000005e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.11000000000000032	0	0	0	0	0	0.550000000000000044
1722	316.259999999999991	C16H12O7	\N	\N	1	COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O	23	16	0.0599999999999999978	2	7	4	82.5	120.359999999999999	2.35000000000000009	1.87000000000000011	2.29000000000000004	-0.309999999999999998	2.06000000000000005	1.64999999999999991	-3.35999999999999988	0.138000000000000012	0.000435000000000000003	Soluble	-4.01999999999999957	0.0303000000000000005	9.56999999999999951e-05	Moderately soluble	-3.93999999999999995	0.0364999999999999977	0.000115000000000000003	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.90000000000000036	0	0	0	0	0	0.550000000000000044
1723	260.199999999999989	C13H8O6	\N	\N	1	Oc1cc(O)c2c(c1)oc1c(c2=O)cc(c(c1)O)O	19	14	0	0	6	4	68.0799999999999983	111.129999999999995	1.40999999999999992	2.08999999999999986	1.77000000000000002	-0.239999999999999991	1.48999999999999999	1.30000000000000004	-3.31999999999999984	0.126000000000000001	0.000484000000000000001	Soluble	-4.04999999999999982	0.0229999999999999996	8.83999999999999939e-05	Moderately soluble	-2.99000000000000021	0.266000000000000014	0.00102000000000000007	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.40000000000000036	0	0	0	0	0	0.550000000000000044
1724	258.230000000000018	C14H10O5	\N	\N	1	Oc1cc(C)c2c(c1)oc1c(c2=O)c(O)cc(c1)O	19	14	0.0700000000000000067	0	5	3	71.0300000000000011	90.9000000000000057	1.8600000000000001	2.81000000000000005	2.37000000000000011	0.569999999999999951	2.4700000000000002	2.00999999999999979	-3.75999999999999979	0.0451999999999999971	0.000174999999999999998	Soluble	-4.37999999999999989	0.0109	4.21000000000000001e-05	Moderately soluble	-3.95000000000000018	0.0287999999999999992	0.000111000000000000001	Soluble	High	No	No	Yes	No	No	Yes	Yes	-5.87999999999999989	0	0	0	0	0	0.550000000000000044
1725	260.199999999999989	C13H8O6	\N	\N	1	Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)c(cc1)O	19	14	0	0	6	4	68.0799999999999983	111.129999999999995	1.93999999999999995	2.08999999999999986	1.77000000000000002	-0.239999999999999991	1.48999999999999999	1.40999999999999992	-3.31999999999999984	0.126000000000000001	0.000484000000000000001	Soluble	-4.04999999999999982	0.0229999999999999996	8.83999999999999939e-05	Moderately soluble	-2.99000000000000021	0.266000000000000014	0.00102000000000000007	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.40000000000000036	0	0	0	0	0	0.550000000000000044
1726	422.339999999999975	C19H18O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc(c3c2c(=O)c2c(o3)cc(cc2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	30	14	0.320000000000000007	3	11	7	100.200000000000003	190.280000000000001	1.28000000000000003	0.28999999999999998	-0.760000000000000009	-2.25	-0.660000000000000031	-0.419999999999999984	-2.79000000000000004	0.687000000000000055	0.00162999999999999994	Soluble	-3.85000000000000009	0.0599000000000000019	0.000142000000000000009	Soluble	-1.29000000000000004	21.8999999999999986	0.0517999999999999988	Soluble	Low	No	No	No	No	No	No	No	-8.66999999999999993	2	1	1	1	3	0.170000000000000012
1728	288.25	C15H12O6	\N	\N	1	COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1OC	21	14	0.130000000000000004	2	6	2	77.019999999999996	89.1299999999999955	2.89999999999999991	2.75	2.37000000000000011	0.280000000000000027	2.52000000000000002	2.16000000000000014	-3.7200000000000002	0.0548000000000000015	0.00019000000000000001	Soluble	-4.28000000000000025	0.0152	5.28999999999999983e-05	Moderately soluble	-4.38999999999999968	0.0117999999999999997	4.10000000000000005e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.11000000000000032	0	0	0	0	0	0.550000000000000044
1729	274.230000000000018	C14H10O6	\N	\N	1	COc1cc(O)c2c(c1)oc1c(c2=O)c(O)c(cc1)O	20	14	0.0700000000000000067	1	6	3	72.5499999999999972	100.129999999999995	2.54999999999999982	2.41999999999999993	2.06999999999999984	0.0200000000000000004	2	1.81000000000000005	-3.52000000000000002	0.0834000000000000019	0.000304000000000000017	Soluble	-4.16999999999999993	0.0187000000000000013	6.83999999999999956e-05	Moderately soluble	-3.68999999999999995	0.0560999999999999971	0.000204999999999999996	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.25	0	0	0	0	0	0.550000000000000044
1730	436.370000000000005	C20H20O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc(c3c2c(=O)c2c(o3)cc(cc2O)OC)O)[C@@H]([C@H]([C@@H]1O)O)O	31	14	0.349999999999999978	4	11	6	104.670000000000002	179.280000000000001	2.20999999999999996	0.619999999999999996	-0.46000000000000002	-2.02000000000000002	-0.119999999999999996	0.0500000000000000028	-3.00999999999999979	0.429999999999999993	0.000985999999999999897	Soluble	-3.95999999999999996	0.0478999999999999981	0.000110000000000000004	Soluble	-1.97999999999999998	4.62000000000000011	0.0106	Soluble	Low	No	No	No	No	No	No	No	-8.51999999999999957	2	1	1	1	3	0.170000000000000012
1731	244.199999999999989	C13H8O5	\N	\N	1	Oc1cc(O)c2c(c1)oc1c(c2=O)cccc1O	18	14	0	0	5	3	66.0600000000000023	90.9000000000000057	1.53000000000000003	2.45000000000000018	2.06000000000000005	0.299999999999999989	1.97999999999999998	1.66999999999999993	-3.4700000000000002	0.0821999999999999953	0.000335999999999999981	Soluble	-4	0.0242999999999999987	9.94000000000000038e-05	Moderately soluble	-3.56999999999999984	0.0660000000000000031	0.000270000000000000003	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.04999999999999982	0	0	0	0	0	0.550000000000000044
1732	422.339999999999975	C19H18O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3oc4cc(O)cc(c4c(=O)c3cc2O)O)[C@@H]([C@H]([C@@H]1O)O)O	30	14	0.320000000000000007	3	11	7	100.200000000000003	190.280000000000001	1.31000000000000005	0.28999999999999998	-0.760000000000000009	-2.25	-0.660000000000000031	-0.409999999999999976	-2.79000000000000004	0.687000000000000055	0.00162999999999999994	Soluble	-3.85000000000000009	0.0599000000000000019	0.000142000000000000009	Soluble	-1.29000000000000004	21.8999999999999986	0.0517999999999999988	Soluble	Low	No	No	No	No	No	No	No	-8.66999999999999993	2	1	1	1	3	0.170000000000000012
1733	286.240000000000009	C15H10O6	\N	\N	1	Oc1ccc(cc1)c1cc(=O)c2c(o1)c(O)c(cc2O)O	21	16	0	1	6	4	76.0100000000000051	111.129999999999995	1.6399999999999999	2.66000000000000014	2.2799999999999998	-0.0299999999999999989	2.0299999999999998	1.71999999999999997	-3.79000000000000004	0.0466000000000000025	0.000163000000000000005	Soluble	-4.65000000000000036	0.00647999999999999965	2.26000000000000005e-05	Moderately soluble	-3.81999999999999984	0.0429000000000000006	0.000149999999999999987	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.16000000000000014	0	0	0	0	0	0.550000000000000044
1735	692.710000000000036	C40H36O11	\N	\N	1	CC(=CCc1c(oc2c(c1=O)c(O)cc(c2[C@@H]1C=C(C)C[C@H]([C@@H]1C(=O)c1ccc(cc1O)O)c1ccc(cc1O)O)O)c1ccc(cc1O)O)C	51	28	0.200000000000000011	7	11	8	193.25	209.120000000000005	2.95999999999999996	7.29999999999999982	7.33000000000000007	1.59000000000000008	5.95999999999999996	5.03000000000000025	-8.67999999999999972	1.45000000000000009e-06	2.10000000000000019e-09	Poorly soluble	-11.5199999999999996	2.10000000000000019e-09	3.02999999999999981e-12	Insoluble	-8.46000000000000085	2.38999999999999999e-06	3.44999999999999987e-09	Poorly soluble	Low	No	No	No	No	No	No	No	-5.33999999999999986	3	4	1	2	5	0.170000000000000012
1736	760.82000000000005	C45H44O11	\N	\N	1	CC(=CCc1c(O)ccc(c1O)C(=O)[C@H]1[C@@H](CC(=C[C@@H]1c1c(O)cc(c2c1oc(c1ccc(cc1O)O)c(c2=O)CC=C(C)C)O)C)c1ccc(cc1O)O)C	56	28	0.239999999999999991	9	11	8	216.969999999999999	209.120000000000005	3.50999999999999979	9.23000000000000043	8.83999999999999986	2.35999999999999988	7.84999999999999964	6.36000000000000032	-10.1500000000000004	5.41000000000000014e-08	7.11000000000000052e-11	Insoluble	-13.5199999999999996	2.28999999999999998e-11	3.02000000000000001e-14	Insoluble	-9.63000000000000078	1.79999999999999997e-07	2.36000000000000012e-10	Poorly soluble	Low	No	Yes	No	No	No	No	No	-4.38999999999999968	3	4	1	2	5	0.170000000000000012
1737	610.519999999999982	C27H30O16	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c(c2c1oc(cc2=O)c1ccc(c(c1)O)O)O	43	16	0.440000000000000002	5	16	12	141.25	291.430000000000007	1.80000000000000004	-2.60999999999999988	-3.33999999999999986	-4.96999999999999975	-2.27000000000000002	-2.2799999999999998	-1.92999999999999994	7.24000000000000021	0.0119000000000000009	Very soluble	-2.95999999999999996	0.665000000000000036	0.00109000000000000004	Soluble	0.330000000000000016	1290	2.10999999999999988	Soluble	Low	No	No	No	No	No	No	No	-11.8800000000000008	3	4	1	1	5	0.170000000000000012
1738	534.419999999999959	C24H22O14	\N	\N	1	OC(=O)CC(=O)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	38	16	0.28999999999999998	8	14	7	124.450000000000003	233.650000000000006	1.58000000000000007	1.17999999999999994	-0.220000000000000001	-2.22999999999999998	-0.270000000000000018	0.0100000000000000002	-3.68000000000000016	0.112000000000000002	0.000209000000000000012	Soluble	-5.67999999999999972	0.00111000000000000009	2.07999999999999999e-06	Moderately soluble	-2.04999999999999982	4.75999999999999979	0.00890999999999999952	Soluble	Low	No	Yes	No	No	No	No	No	-8.72000000000000064	3	1	1	1	3	0.110000000000000001
1739	462.399999999999977	C22H22O11	\N	\N	1	COc1c(O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O	33	16	0.320000000000000007	4	11	6	113.459999999999994	179.280000000000001	2.39999999999999991	1.92999999999999994	0.790000000000000036	-1.62000000000000011	0.550000000000000044	0.810000000000000053	-4.01999999999999957	0.044400000000000002	9.60000000000000024e-05	Moderately soluble	-5.32000000000000028	0.00222000000000000018	4.79999999999999978e-06	Moderately soluble	-2.77000000000000002	0.780000000000000027	0.0016900000000000001	Soluble	Low	No	Yes	No	No	No	No	Yes	-7.75	2	0	1	1	3	0.170000000000000012
1740	302.240000000000009	C15H10O7	\N	\N	1	Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O	22	16	0	1	7	5	78.0300000000000011	131.360000000000014	1.46999999999999997	1.54000000000000004	1.98999999999999999	-0.560000000000000053	1.54000000000000004	1.19999999999999996	-3.16000000000000014	0.210999999999999993	0.000698000000000000053	Soluble	-3.91000000000000014	0.0374000000000000027	0.000124000000000000005	Soluble	-3.24000000000000021	0.172999999999999987	0.00057300000000000005	Soluble	High	No	No	Yes	No	No	Yes	Yes	-7.04999999999999982	0	0	0	0	0	0.550000000000000044
1742	464.379999999999995	C21H20O12	\N	\N	1	Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1cc(O)c(c(c1)O)O	33	16	0.28999999999999998	3	12	8	111.019999999999996	210.509999999999991	1.70999999999999996	0.510000000000000009	0.190000000000000002	-2.31999999999999984	-0.46000000000000002	-0.0700000000000000067	-3.20000000000000018	0.291999999999999982	0.000629000000000000002	Soluble	-4.5	0.0146000000000000001	3.15e-05	Moderately soluble	-1.48999999999999999	14.9000000000000004	0.0320999999999999966	Soluble	Low	No	No	No	No	No	No	No	-8.76999999999999957	2	0	1	1	3	0.170000000000000012
1743	580.490000000000009	C26H28O15	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)c2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O	41	16	0.419999999999999984	4	15	11	135.280000000000001	271.199999999999989	1.58000000000000007	-2.54000000000000004	-2.70000000000000018	-4.44000000000000039	-1.79000000000000004	-1.97999999999999998	-1.8600000000000001	7.95000000000000018	0.0137000000000000004	Very soluble	-2.60999999999999988	1.41999999999999993	0.00244999999999999992	Soluble	-0.119999999999999996	445	0.767000000000000015	Soluble	Low	No	No	No	No	No	No	No	-11.6400000000000006	3	3	1	1	4	0.170000000000000012
1744	564.490000000000009	C26H28O14	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)c2c(c1O)c(=O)cc(o2)c1ccc(cc1)O	40	16	0.419999999999999984	4	14	10	133.259999999999991	250.969999999999999	0.550000000000000044	-2.18999999999999995	-2.39999999999999991	-3.9700000000000002	-1.32000000000000006	-1.87000000000000011	-1.98999999999999999	5.75	0.0102000000000000007	Very soluble	-2.54999999999999982	1.59000000000000008	0.00282000000000000002	Soluble	-0.709999999999999964	110	0.195000000000000007	Soluble	Low	No	No	No	No	No	No	No	-11.3000000000000007	3	3	1	1	4	0.170000000000000012
1745	344.319999999999993	C18H16O7	\N	\N	1	COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)O	25	16	0.170000000000000012	4	7	2	91.4399999999999977	98.3599999999999994	3	2.93000000000000016	2.89999999999999991	0.170000000000000012	3.12000000000000011	2.41999999999999993	-4.03000000000000025	0.0320999999999999966	9.33000000000000046e-05	Moderately soluble	-4.66000000000000014	0.00757999999999999993	2.19999999999999994e-05	Moderately soluble	-5.33000000000000007	0.00162999999999999994	4.7199999999999997e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.32000000000000028	0	0	0	0	0	0.550000000000000044
1746	402.389999999999986	C21H22O8	\N	\N	1	COc1cc(ccc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC	29	16	0.28999999999999998	7	8	0	106.870000000000005	85.5900000000000034	3.95999999999999996	3.00999999999999979	3.50999999999999979	0.340000000000000024	4.28000000000000025	3.02000000000000002	-4.17999999999999972	0.0267000000000000015	6.65000000000000037e-05	Moderately soluble	-4.46999999999999975	0.0135999999999999992	3.36999999999999992e-05	Moderately soluble	-6.82000000000000028	6.16000000000000065e-05	1.53000000000000007e-07	Poorly soluble	High	No	No	No	No	Yes	No	Yes	-6.62000000000000011	0	0	0	0	0	0.550000000000000044
1747	270.240000000000009	C15H10O5	\N	\N	1	Oc1cc(O)c2c(c1O)oc(cc2=O)c1ccccc1	20	16	0	1	5	3	73.9899999999999949	90.9000000000000057	2.14999999999999991	3.16000000000000014	2.58000000000000007	0.520000000000000018	2.52000000000000002	2.18000000000000016	-4.03000000000000025	0.0251000000000000008	9.2800000000000006e-05	Moderately soluble	-4.74000000000000021	0.00493000000000000035	1.81999999999999985e-05	Moderately soluble	-4.40000000000000036	0.0106999999999999994	3.94000000000000022e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-5.70000000000000018	0	0	0	0	0	0.550000000000000044
1749	360.310000000000002	C18H16O8	\N	\N	1	COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1cc(O)c(cc1O)OC	26	16	0.170000000000000012	4	8	3	93.4599999999999937	118.590000000000003	2.95000000000000018	2.16000000000000014	2.60000000000000009	-0.349999999999999978	2.64999999999999991	2	-3.62999999999999989	0.085199999999999998	0.000236999999999999987	Soluble	-4.28000000000000025	0.0188000000000000007	5.20999999999999992e-05	Moderately soluble	-4.74000000000000021	0.00655999999999999986	1.81999999999999985e-05	Moderately soluble	High	No	Yes	Yes	No	Yes	Yes	Yes	-6.95999999999999996	0	0	0	0	0	0.550000000000000044
1750	360.310000000000002	C18H16O8	\N	\N	1	COc1ccc(cc1O)c1oc2cc(OC)c(c(c2c(=O)c1OC)O)O	26	16	0.170000000000000012	4	8	3	93.4599999999999937	118.590000000000003	3.06999999999999984	2.79000000000000004	2.60000000000000009	-0.349999999999999978	2.64999999999999991	2.14999999999999991	-4.01999999999999957	0.0342000000000000012	9.48000000000000004e-05	Moderately soluble	-4.94000000000000039	0.0041700000000000001	1.16000000000000007e-05	Moderately soluble	-4.74000000000000021	0.00655999999999999986	1.81999999999999985e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.51999999999999957	0	0	0	0	0	0.550000000000000044
1751	344.319999999999993	C18H16O7	\N	\N	1	COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)O	25	16	0.170000000000000012	4	7	2	91.4399999999999977	98.3599999999999994	3.25999999999999979	3.60999999999999988	2.89999999999999991	0.170000000000000012	3.12000000000000011	2.60999999999999988	-4.45999999999999996	0.0120000000000000002	3.47999999999999988e-05	Moderately soluble	-5.36000000000000032	0.00149	4.33999999999999995e-06	Moderately soluble	-5.33000000000000007	0.00162999999999999994	4.7199999999999997e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.83999999999999986	0	0	0	0	0	0.550000000000000044
1752	332.259999999999991	C16H12O8	\N	\N	1	COc1c(O)cc2c(c1O)c(=O)c(c(o2)c1ccc(c(c1)O)O)O	24	16	0.0599999999999999978	2	8	5	84.5300000000000011	140.590000000000003	2.02000000000000002	2.14000000000000012	2	-0.82999999999999996	1.59000000000000008	1.37999999999999989	-3.60999999999999988	0.0816000000000000059	0.000246000000000000016	Soluble	-4.71999999999999975	0.0062700000000000004	1.88999999999999986e-05	Moderately soluble	-3.35000000000000009	0.146999999999999992	0.00044299999999999998	Soluble	Low	No	No	Yes	No	No	Yes	Yes	-6.80999999999999961	0	0	1	1	0	0.550000000000000044
1753	316.259999999999991	C16H12O7	\N	\N	1	COc1cc2oc(cc(=O)c2c(c1O)O)c1ccc(c(c1)O)O	23	16	0.0599999999999999978	2	7	4	82.5	120.359999999999999	1.25	2.5	2.29000000000000004	-0.309999999999999998	2.06000000000000005	1.56000000000000005	-3.75999999999999979	0.0551000000000000031	0.000174000000000000001	Soluble	-4.66999999999999993	0.00670999999999999982	2.12000000000000003e-05	Moderately soluble	-3.93999999999999995	0.0364999999999999977	0.000115000000000000003	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.45000000000000018	0	0	0	0	0	0.550000000000000044
1754	316.259999999999991	C16H12O7	\N	\N	1	Oc1ccc(cc1O)c1oc2cc(O)c(c(c2c(=O)c1O)O)C	23	16	0.0599999999999999978	1	7	5	83	131.360000000000014	2.02000000000000002	2.5299999999999998	2.29999999999999982	-0.309999999999999998	2.04999999999999982	1.71999999999999997	-3.83999999999999986	0.0453	0.000143000000000000006	Soluble	-4.94000000000000039	0.00367000000000000009	1.16000000000000007e-05	Moderately soluble	-3.62000000000000011	0.0754999999999999977	0.000239000000000000009	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.42999999999999972	0	0	0	0	0	0.550000000000000044
1755	254.240000000000009	C15H10O4	\N	\N	1	Oc1ccc(c2c1oc(cc2=O)c1ccccc1)O	19	16	0	1	4	2	71.9699999999999989	70.6700000000000017	1.75	3.93999999999999995	2.87000000000000011	1.08000000000000007	3.02000000000000002	2.5299999999999998	-4.45999999999999996	0.00889999999999999993	3.49999999999999969e-05	Moderately soluble	-5.12000000000000011	0.00191000000000000002	7.52e-06	Moderately soluble	-4.98000000000000043	0.00263999999999999999	1.04000000000000004e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.04999999999999982	0	0	0	0	0	0.550000000000000044
1757	296.410000000000025	C19H24N2O	\N	\N	1	O=C(N1CCCC(=C1)[C@@H]1CCCCN1)/C=C/c1ccccc1	22	6	0.419999999999999984	4	2	1	98.4399999999999977	32.3400000000000034	3.5	2.43000000000000016	2.47999999999999998	2.77000000000000002	3.2799999999999998	2.89000000000000012	-3.14999999999999991	0.211999999999999994	0.000714000000000000008	Soluble	-2.75	0.525000000000000022	0.00177000000000000009	Soluble	-4.11000000000000032	0.0229999999999999996	7.73999999999999976e-05	Moderately soluble	High	Yes	Yes	No	Yes	No	No	No	-6.37999999999999989	0	0	0	0	0	0.550000000000000044
1758	189.210000000000008	C8H15NO4	\N	\N	1	OC[C@@H]1[C@@H](O)[C@@H]([C@H]2N1CC[C@@H]2O)O	13	0	1	1	5	4	47.7999999999999972	84.1599999999999966	0.949999999999999956	-1.68999999999999995	-2.85999999999999988	-1.65999999999999992	-1.8600000000000001	-1.41999999999999993	0.119999999999999996	248	1.31000000000000005	Highly soluble	0.440000000000000002	515	2.7200000000000002	Highly soluble	1.8899999999999999	14700	77.5999999999999943	Soluble	Low	No	Yes	No	No	No	No	No	-8.65000000000000036	0	1	0	0	1	0.550000000000000044
1759	208.300000000000011	C12H20N2O	\N	\N	1	CC(=O)N1CCCC(=C1)[C@H]1CCCCN1	15	0	0.75	2	2	1	68.8199999999999932	32.3400000000000034	2.58000000000000007	0.340000000000000024	0.890000000000000013	1.37000000000000011	1.6399999999999999	1.3600000000000001	-1.20999999999999996	12.6999999999999993	0.0611000000000000015	Very soluble	-0.57999999999999996	54.3999999999999986	0.26100000000000001	Very soluble	-1.90999999999999992	2.58000000000000007	0.0123999999999999996	Soluble	High	Yes	No	No	No	No	No	No	-7.33000000000000007	0	0	0	0	0	0.550000000000000044
1760	160.219999999999999	C10H12N2	\N	\N	1	C1=CC[C@H](NC1)c1cccnc1	12	6	0.299999999999999989	1	2	1	52.5600000000000023	24.9200000000000017	1.87999999999999989	0.949999999999999956	0.969999999999999973	1.08000000000000007	1.85000000000000009	1.35000000000000009	-1.73999999999999999	2.93999999999999995	0.0183999999999999997	Very soluble	-1.06000000000000005	13.9000000000000004	0.086999999999999994	Very soluble	-2.75	0.281999999999999973	0.00176000000000000006	Soluble	High	Yes	No	No	No	No	No	No	-6.59999999999999964	0	0	0	0	1	0.550000000000000044
1761	203.189999999999998	C11H9NO3	\N	\N	1	COc1cc(=O)oc(c1)c1cccnc1	15	12	0.0899999999999999967	2	4	0	54.7000000000000028	52.3299999999999983	2	1.04000000000000004	1.70999999999999996	0.469999999999999973	2.45999999999999996	1.54000000000000004	-2.2200000000000002	1.23999999999999999	0.00610000000000000039	Soluble	-1.72999999999999998	3.79000000000000004	0.0185999999999999985	Very soluble	-4.20999999999999996	0.0123999999999999996	6.11999999999999968e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-6.79999999999999982	0	0	0	0	0	0.550000000000000044
1763	155.189999999999998	C8H13NO2	\N	\N	1	COC(=O)C1=CCCN(C1)C	11	0	0.619999999999999996	2	3	0	46.0799999999999983	29.5399999999999991	2.25999999999999979	0.349999999999999978	0.0400000000000000008	0.57999999999999996	0.760000000000000009	0.800000000000000044	-0.890000000000000013	20	0.129000000000000004	Very soluble	-0.530000000000000027	45.2999999999999972	0.291999999999999982	Very soluble	-0.800000000000000044	24.3999999999999986	0.157000000000000001	Soluble	High	No	No	No	No	No	No	No	-7	0	1	0	0	1	0.550000000000000044
1764	310.430000000000007	C20H26N2O	\N	\N	1	CN1CCCC[C@@H]1[C@H]1CC[C@H]2N(C1)C(=O)C=Cc1c2cccc1	23	6	0.550000000000000044	1	2	0	101.859999999999999	23.5500000000000007	3.24000000000000021	3.18000000000000016	2.2799999999999998	3.08000000000000007	2.49000000000000021	2.85000000000000009	-3.89999999999999991	0.0395000000000000004	0.000126999999999999997	Soluble	-3.35000000000000009	0.140000000000000013	0.000451000000000000012	Soluble	-3.7799999999999998	0.0519999999999999976	0.000166999999999999994	Soluble	High	Yes	No	No	No	No	Yes	No	-5.94000000000000039	0	0	0	0	0	0.550000000000000044
1765	298.420000000000016	C19H26N2O	\N	\N	1	O=C(N1CCC[C@H](C1)[C@@H]1CCCCN1)/C=C\\c1ccccc1	22	6	0.530000000000000027	4	2	1	98.9099999999999966	32.3400000000000034	3.39999999999999991	3.0299999999999998	2.20999999999999996	2.85000000000000009	3.29000000000000004	2.95000000000000018	-3.54000000000000004	0.0866999999999999993	0.000290000000000000002	Soluble	-3.37000000000000011	0.126000000000000001	0.000422000000000000012	Soluble	-4.12999999999999989	0.022200000000000001	7.43000000000000035e-05	Moderately soluble	High	Yes	No	No	Yes	No	Yes	No	-5.96999999999999975	0	0	0	0	0	0.550000000000000044
1766	189.210000000000008	C8H15NO4	\N	\N	1	OC[C@@H]1[C@@H](O)[C@@H]([C@@H]2N1CC[C@@H]2O)O	13	0	1	1	5	4	47.7999999999999972	84.1599999999999966	1	-1.68999999999999995	-2.85999999999999988	-1.65999999999999992	-1.8600000000000001	-1.40999999999999992	0.119999999999999996	248	1.31000000000000005	Highly soluble	0.440000000000000002	515	2.7200000000000002	Highly soluble	1.8899999999999999	14700	77.5999999999999943	Soluble	Low	No	Yes	No	No	No	No	No	-8.65000000000000036	0	1	0	0	1	0.550000000000000044
1767	285.25	C12H15NO7	\N	\N	1	O[C@H]1O[C@H](COC(=O)c2cccnc2)[C@H]([C@@H]([C@H]1O)O)O	20	6	0.5	4	8	4	63.1700000000000017	129.340000000000003	0.209999999999999992	-1.97999999999999998	-1.95999999999999996	-1.82000000000000006	-1.3600000000000001	-1.37999999999999989	-0.320000000000000007	137	0.479999999999999982	Very soluble	-0.209999999999999992	175	0.612999999999999989	Very soluble	0.209999999999999992	462	1.62000000000000011	Soluble	Low	No	No	No	No	No	No	No	-9.44999999999999929	0	1	0	0	0	0.550000000000000044
1768	478.70999999999998	C28H50N2O4	\N	\N	1	O=C1CCCCCCC[C@@H]2CC[C@@H]([C@@H](N2)C)OC(=O)CCCCCCC[C@@H]2CC[C@H](O1)[C@H](C)N2	34	0	0.930000000000000049	0	6	2	146.370000000000005	76.6599999999999966	4.40000000000000036	6.29000000000000004	4.79999999999999982	3.75	3.62999999999999989	4.57000000000000028	-6.76999999999999957	8.11999999999999951e-05	1.69999999999999987e-07	Poorly soluble	-7.69000000000000039	9.80999999999999925e-06	2.05000000000000016e-08	Poorly soluble	-5.70999999999999996	0.00092900000000000003	1.94000000000000006e-06	Moderately soluble	High	No	Yes	No	No	No	No	No	-4.75	0	2	0	0	1	0.550000000000000044
1770	125.209999999999994	C8H15N	\N	\N	1	CCCC1=NCCCC1	9	0	0.880000000000000004	2	1	0	45.4699999999999989	12.3599999999999994	2.29000000000000004	1.19999999999999996	2.0299999999999998	1.67999999999999994	3.24000000000000021	2.08999999999999986	-1.23999999999999999	7.20000000000000018	0.0575000000000000025	Very soluble	-1.06000000000000005	11	0.0879000000000000059	Very soluble	-2.45999999999999996	0.439000000000000001	0.0035100000000000001	Soluble	High	Yes	No	No	No	No	No	No	-6.20999999999999996	0	1	0	0	2	0.550000000000000044
1771	261.399999999999977	C17H27NO	\N	\N	1	CC/C=C/C=C/C=C/C=C/[C@@H]1CC[C@@H]([C@@H](N1C)C)O	19	0	0.530000000000000027	5	2	1	87.7999999999999972	23.4699999999999989	3.77000000000000002	3.83999999999999986	3.08000000000000007	2.93999999999999995	3.22999999999999998	3.37000000000000011	-3.54999999999999982	0.0737000000000000016	0.000282000000000000024	Soluble	-4.03000000000000025	0.0245000000000000009	9.35999999999999983e-05	Moderately soluble	-1.27000000000000002	14.0999999999999996	0.0541000000000000023	Soluble	High	Yes	No	No	No	Yes	No	No	-5.16999999999999993	0	0	0	0	0	0.550000000000000044
1772	163.169999999999987	C6H13NO4	\N	\N	1	OC[C@H]1NC[C@H]([C@H]([C@@H]1O)O)O	11	0	1	1	5	5	40.2100000000000009	92.9500000000000028	0.619999999999999996	-1.80000000000000004	-3.35000000000000009	-2.35000000000000009	-1.76000000000000001	-1.72999999999999998	0.349999999999999978	364	2.22999999999999998	Highly soluble	0.359999999999999987	378	2.31999999999999984	Highly soluble	1.51000000000000001	5240	32.1000000000000014	Soluble	Low	No	No	No	No	No	No	No	-8.57000000000000028	0	1	0	0	1	0.550000000000000044
1773	221.300000000000011	C13H19NO2	\N	\N	1	CC1=CC(=O)O[C@@]2(C1)C[C@H]1CC[C@@H]2CN1C	16	0	0.770000000000000018	0	3	0	65.9200000000000017	29.5399999999999991	2.45000000000000018	1.45999999999999996	1.35000000000000009	2.04000000000000004	1.81000000000000005	1.82000000000000006	-2.12999999999999989	1.62999999999999989	0.00738000000000000028	Soluble	-1.68999999999999995	4.54999999999999982	0.0206000000000000003	Very soluble	-1.94999999999999996	2.45999999999999996	0.0111000000000000005	Soluble	High	Yes	No	No	No	No	No	No	-6.61000000000000032	0	0	0	0	0	0.550000000000000044
1774	147.169999999999987	C6H13NO3	\N	\N	1	OC[C@H]1NCC[C@H]([C@@H]1O)O	10	0	1	1	4	4	39.0399999999999991	72.7199999999999989	1.21999999999999997	-1.37000000000000011	-2.31999999999999984	-1.52000000000000002	-0.880000000000000004	-0.969999999999999973	0.179999999999999993	221	1.5	Highly soluble	0.340000000000000024	324	2.20000000000000018	Highly soluble	0.709999999999999964	760	5.16000000000000014	Soluble	Low	No	No	No	No	No	No	No	-8.16999999999999993	0	3	0	0	1	0.550000000000000044
1775	179.219999999999999	C10H13NO2	\N	\N	1	CCCCc1ccc(nc1)C(=O)O	13	6	0.400000000000000022	4	3	1	50.5799999999999983	50.1899999999999977	1.67999999999999994	2.58999999999999986	2.12000000000000011	0.170000000000000012	2.18999999999999995	1.75	-2.66000000000000014	0.392000000000000015	0.00219000000000000011	Soluble	-3.29000000000000004	0.0913000000000000062	0.000510000000000000037	Soluble	-3	0.179999999999999993	0.00100000000000000002	Soluble	High	Yes	No	No	No	No	No	No	-5.54999999999999982	0	0	0	0	1	0.560000000000000053
1776	216.280000000000001	C13H16N2O	\N	\N	1	N#C[C@H](c1ccc(cc1)O)N1CCCCC1	16	6	0.46000000000000002	2	3	1	66.7199999999999989	47.259999999999998	2.20000000000000018	2.24000000000000021	1.73999999999999999	1.31000000000000005	2.06999999999999984	1.90999999999999992	-2.74000000000000021	0.396000000000000019	0.00183000000000000003	Soluble	-2.87000000000000011	0.292999999999999983	0.00135000000000000007	Soluble	-2.68999999999999995	0.444000000000000006	0.00205000000000000017	Soluble	High	Yes	No	No	No	No	No	No	-6.03000000000000025	0	0	0	0	0	0.550000000000000044
1777	127.140000000000001	C6H9NO2	\N	\N	1	OC(=O)C1=CCCNC1	9	0	0.5	1	3	2	36.8599999999999994	49.3299999999999983	1.07000000000000006	-2.54999999999999982	-0.390000000000000013	-0.110000000000000001	0.450000000000000011	-0.299999999999999989	1.04000000000000004	1410	11.0999999999999996	Highly soluble	2.06000000000000005	14600	115	Highly soluble	-0.400000000000000022	50.2000000000000028	0.394000000000000017	Soluble	High	No	No	No	No	No	No	No	-8.89000000000000057	0	3	0	0	2	0.550000000000000044
1778	281.300000000000011	C14H19NO5	\N	\N	1	C/C=C/C[C@H](C(=O)c1c(=O)[nH]c(c(c1O)OC)OC)C	20	6	0.429999999999999993	6	5	2	75.8299999999999983	88.6200000000000045	2.14999999999999991	1.72999999999999998	1.87999999999999989	0.67000000000000004	2.95000000000000018	1.87999999999999989	-2.5	0.890000000000000013	0.00316000000000000005	Soluble	-3.20999999999999996	0.173999999999999988	0.00062	Soluble	-2.87999999999999989	0.373999999999999999	0.00133000000000000002	Soluble	High	No	No	No	No	No	No	No	-6.79000000000000004	0	0	0	0	0	0.550000000000000044
1780	143.22999999999999	C8H17NO	\N	\N	1	C[C@H](C[C@H]1CCCN1C)O	10	0	1	2	2	1	46.4299999999999997	23.4699999999999989	2.12999999999999989	0.92000000000000004	0.469999999999999973	0.900000000000000022	0.959999999999999964	1.08000000000000007	-1.17999999999999994	9.5600000000000005	0.0666999999999999954	Very soluble	-1	14.4000000000000004	0.100000000000000006	Very soluble	-0.719999999999999973	27.1000000000000014	0.189000000000000001	Soluble	High	No	No	No	No	No	No	No	-6.51999999999999957	0	1	0	0	1	0.550000000000000044
1781	287.399999999999977	C18H25NO2	\N	\N	1	CC[C@H](C[C@H]1C=CC[C@H](N1C)CC(=O)c1ccccc1)O	21	6	0.5	6	3	1	90.0900000000000034	40.5399999999999991	3.02000000000000002	3	2.66999999999999993	2.20999999999999996	2.85999999999999988	2.75	-3.33000000000000007	0.135000000000000009	0.00047100000000000001	Soluble	-3.52000000000000002	0.0877000000000000002	0.000304999999999999987	Soluble	-3.60000000000000009	0.072499999999999995	0.000252	Soluble	High	Yes	No	No	No	No	Yes	No	-5.91999999999999993	0	0	0	0	0	0.550000000000000044
1782	157.210000000000008	C8H15NO2	\N	\N	1	O[C@H]1CN2[C@H]([C@@H]1O)CCCC2	11	0	1	0	3	2	45.4799999999999969	43.7000000000000028	1.62999999999999989	-0.28999999999999998	-0.800000000000000044	0.0200000000000000004	-0.100000000000000006	0.0899999999999999967	-0.630000000000000004	36.7000000000000028	0.233000000000000013	Very soluble	-0.170000000000000012	107	0.679000000000000048	Very soluble	0.419999999999999984	414	2.64000000000000012	Soluble	High	No	No	No	No	No	No	No	-7.45999999999999996	0	2	0	0	1	0.550000000000000044
1783	339.470000000000027	C22H29NO2	\N	\N	1	O[C@H](c1ccccc1)C[C@@H]1CCC[C@@H](N1C)C[C@H](c1ccccc1)O	25	12	0.450000000000000011	6	3	2	106.180000000000007	43.7000000000000028	3.33000000000000007	3.64000000000000012	3.06000000000000005	3.0299999999999998	3.68999999999999995	3.35000000000000009	-4.20000000000000018	0.0216000000000000011	6.34999999999999985e-05	Moderately soluble	-4.25	0.0193000000000000012	5.67000000000000026e-05	Moderately soluble	-5.29000000000000004	0.00175000000000000004	5.13999999999999992e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	No	-5.79000000000000004	0	0	0	0	0	0.550000000000000044
1784	335.439999999999998	C22H25NO2	\N	\N	1	CN1[C@H](CCC[C@H]1CC(=O)c1ccccc1)CC(=O)c1ccccc1	25	12	0.359999999999999987	6	3	0	104.700000000000003	37.3800000000000026	3.31000000000000005	3.87000000000000011	4	2.87000000000000011	4.33999999999999986	3.68000000000000016	-4.32000000000000028	0.0161999999999999991	4.81999999999999993e-05	Moderately soluble	-4.34999999999999964	0.0149	4.44999999999999975e-05	Moderately soluble	-6.24000000000000021	0.000193000000000000002	5.74000000000000031e-07	Poorly soluble	High	Yes	No	No	Yes	Yes	Yes	Yes	-5.59999999999999964	0	0	0	0	0	0.550000000000000044
1785	151.210000000000008	C9H13NO	\N	\N	1	C[C@@H]1C[C@H]2CC(=O)[C@@H]1C(=N2)C	11	0	0.780000000000000027	0	2	0	48.3599999999999994	29.4299999999999997	1.84000000000000008	0.589999999999999969	1.06000000000000005	0.969999999999999973	2.43999999999999995	1.37999999999999989	-1.14999999999999991	10.6999999999999993	0.0709000000000000047	Very soluble	-0.780000000000000027	25	0.165000000000000008	Very soluble	-1.81000000000000005	2.35999999999999988	0.0155999999999999993	Soluble	High	Yes	No	No	No	No	No	No	-6.79999999999999982	0	1	0	0	1	0.550000000000000044
1787	146.189999999999998	C9H10N2	\N	\N	1	c1ccc(cn1)C1=NCCC1	11	6	0.330000000000000016	1	2	0	48.5200000000000031	25.25	1.85000000000000009	0.599999999999999978	1.28000000000000003	0.780000000000000027	3.10999999999999988	1.52000000000000002	-1.45999999999999996	5.04999999999999982	0.0345000000000000029	Very soluble	-0.699999999999999956	28.8999999999999986	0.198000000000000009	Very soluble	-3.14999999999999991	0.104999999999999996	0.000715999999999999948	Soluble	High	Yes	No	Yes	No	No	No	No	-6.76999999999999957	0	1	0	0	1	0.550000000000000044
1788	158.199999999999989	C10H10N2	\N	\N	1	Cn1cccc1c1cccnc1	12	11	0.100000000000000006	1	1	0	48.9299999999999997	17.8200000000000003	1.93999999999999995	1.25	2.08999999999999986	0.949999999999999956	2.02000000000000002	1.64999999999999991	-2.2200000000000002	0.951999999999999957	0.00602000000000000018	Soluble	-1.21999999999999997	9.48000000000000043	0.0599000000000000019	Very soluble	-3.29999999999999982	0.0791000000000000036	0.00050000000000000001	Soluble	High	Yes	No	Yes	No	No	No	No	-6.37999999999999989	0	1	0	0	1	0.550000000000000044
1789	175.27000000000001	C12H17N	\N	\N	1	C/C=C/C=C/C=C/C1=NCCCC1	13	0	0.419999999999999984	3	1	0	63.2700000000000031	12.3599999999999994	3.04999999999999982	2.47999999999999998	2.91999999999999993	2.58000000000000007	4.09999999999999964	3.0299999999999998	-2.29000000000000004	0.89700000000000002	0.00512000000000000042	Soluble	-2.37999999999999989	0.723999999999999977	0.00412999999999999999	Soluble	-1.95999999999999996	1.93999999999999995	0.0111000000000000005	Soluble	High	Yes	No	Yes	No	No	No	No	-5.61000000000000032	0	0	0	0	2	0.550000000000000044
1790	169.259999999999991	C10H19NO	\N	\N	1	O[C@@H]1CCCC[C@]21CCCNC2	12	0	1	0	2	2	53.5700000000000003	32.259999999999998	2.20999999999999996	1.16999999999999993	0.910000000000000031	1.52000000000000002	1.8600000000000001	1.53000000000000003	-1.62999999999999989	4	0.0235999999999999995	Very soluble	-1.43999999999999995	6.11000000000000032	0.0361000000000000001	Very soluble	-1.87999999999999989	2.20999999999999996	0.0131000000000000005	Soluble	High	Yes	No	No	No	No	No	No	-6.5	0	0	0	0	1	0.550000000000000044
1791	123.109999999999999	C6H5NO2	\N	\N	1	OC(=O)c1ccccn1	9	6	0	1	3	1	31.1999999999999993	50.1899999999999977	0.739999999999999991	0.719999999999999973	0.780000000000000027	-1.12999999999999989	0.75	0.369999999999999996	-1.47999999999999998	4.04000000000000004	0.0328000000000000028	Very soluble	-1.35000000000000009	5.46999999999999975	0.044400000000000002	Very soluble	-1.35000000000000009	5.45999999999999996	0.044400000000000002	Soluble	High	Yes	No	No	No	No	No	No	-6.54000000000000004	0	3	0	0	1	0.560000000000000053
1793	317.339999999999975	C17H19NO5	\N	\N	1	COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(c1OC)OC	23	6	0.28999999999999998	6	5	0	89.4699999999999989	65.0699999999999932	2.45999999999999996	2.06999999999999984	1.55000000000000004	1.34000000000000008	2.35999999999999988	1.95999999999999996	-2.91000000000000014	0.392000000000000015	0.00122999999999999997	Soluble	-3.06999999999999984	0.27300000000000002	0.000859999999999999979	Soluble	-2.93999999999999995	0.359999999999999987	0.00113999999999999995	Soluble	High	Yes	No	No	No	No	No	No	-6.76999999999999957	0	0	0	0	0	0.550000000000000044
1794	313.480000000000018	C18H35NO3	\N	\N	1	CCC(=O)CCCCCCCCC[C@@H]1CC[C@@H]([C@H](N1)CO)O	22	0	0.939999999999999947	12	4	3	95.769999999999996	69.5600000000000023	3.58999999999999986	3.56999999999999984	2.56999999999999984	1.73999999999999999	3.79000000000000004	3.04999999999999982	-3.24000000000000021	0.179999999999999993	0.00057499999999999999	Soluble	-4.71999999999999975	0.00602000000000000018	1.91999999999999991e-05	Moderately soluble	-4.25	0.0176000000000000011	5.61999999999999972e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-5.67999999999999972	0	0	1	0	0	0.550000000000000044
1795	143.22999999999999	C8H17NO	\N	\N	1	CCC[C@H]1CC[C@@H](CN1)O	10	0	1	2	2	2	46.3299999999999983	32.259999999999998	2.16000000000000014	0.979999999999999982	0.520000000000000018	0.900000000000000022	1.25	1.15999999999999992	-1.20999999999999996	8.75999999999999979	0.0611999999999999975	Very soluble	-1.25	8.14000000000000057	0.0568000000000000033	Very soluble	-1.45999999999999996	5.00999999999999979	0.0350000000000000033	Soluble	High	Yes	No	No	No	No	No	No	-6.48000000000000043	0	1	0	0	1	0.550000000000000044
1796	592.809999999999945	C38H48N4O2	\N	\N	1	O=C([C@@H]1[C@@H](c2ccccc2)[C@@H]([C@H]1c1ccccc1)C(=O)N1CCCC(=C1)[C@H]1CCCCN1)N1CCCC(=C1)[C@H]1CCCCN1	44	12	0.530000000000000027	8	4	2	192.009999999999991	64.6800000000000068	5.66000000000000014	3.66999999999999993	4.57000000000000028	4.12999999999999989	4.86000000000000032	4.58000000000000007	-5.5	0.00186999999999999992	3.14999999999999991e-06	Moderately soluble	-4.71999999999999975	0.0114000000000000004	1.91000000000000001e-05	Moderately soluble	-8.07000000000000028	4.98999999999999966e-06	8.41000000000000053e-09	Poorly soluble	High	Yes	Yes	No	No	No	No	Yes	-7.30999999999999961	1	3	0	0	0	0.550000000000000044
1797	219.319999999999993	C14H21NO	\N	\N	1	CN1CCCC[C@H]1C[C@@H](c1ccccc1)O	16	6	0.569999999999999951	3	2	1	70.9200000000000017	23.4699999999999989	2.56999999999999984	2.37999999999999989	1.8899999999999999	2.2799999999999998	2.52000000000000002	2.33000000000000007	-2.7799999999999998	0.364999999999999991	0.00166000000000000002	Soluble	-2.50999999999999979	0.672000000000000042	0.00305999999999999979	Soluble	-3.16000000000000014	0.149999999999999994	0.000684999999999999954	Soluble	High	Yes	No	No	No	No	Yes	No	-5.95000000000000018	0	0	0	0	0	0.550000000000000044
1798	143.180000000000007	C7H13NO2	\N	\N	1	[O-]C(=O)[C@@H]1CCC[N+]1(C)C	10	0	0.859999999999999987	1	2	0	41.3500000000000014	40.1300000000000026	-1.19999999999999996	0.400000000000000022	-1.40999999999999992	-3.33000000000000007	0.0200000000000000004	-1.10000000000000009	-0.910000000000000031	17.5	0.121999999999999997	Very soluble	-0.810000000000000053	22.1999999999999993	0.154999999999999999	Very soluble	-0.939999999999999947	16.5	0.115000000000000005	Soluble	Low	No	No	No	No	No	No	No	-6.88999999999999968	0	2	0	0	1	0.550000000000000044
1800	742.629999999999995	C32H38O20	\N	\N	1	Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)c1ccc(c(c1)O)O	52	16	0.530000000000000027	8	20	12	167.789999999999992	328.350000000000023	1.41999999999999993	-2.81000000000000005	-3.2200000000000002	-5.41000000000000014	-3.74000000000000021	-2.75	-2.37000000000000011	3.14000000000000012	0.00423000000000000025	Soluble	-3.5299999999999998	0.219	0.000295000000000000015	Soluble	1.1100000000000001	9500	12.8000000000000007	Soluble	Low	No	No	No	No	No	No	No	-12.8300000000000001	3	4	1	1	5	0.170000000000000012
1801	316.259999999999991	C16H12O7	\N	\N	1	COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O	23	16	0.0599999999999999978	2	7	4	82.5	120.359999999999999	2.22999999999999998	1.87000000000000011	2.29000000000000004	-0.309999999999999998	2.06000000000000005	1.62999999999999989	-3.35999999999999988	0.138000000000000012	0.000435000000000000003	Soluble	-4.01999999999999957	0.0303000000000000005	9.56999999999999951e-05	Moderately soluble	-3.93999999999999995	0.0364999999999999977	0.000115000000000000003	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.90000000000000036	0	0	0	0	0	0.550000000000000044
1802	302.240000000000009	C15H10O7	\N	\N	1	Oc1ccc2c(c1)oc(c(c2=O)O)c1cc(O)c(c(c1)O)O	22	16	0	1	7	5	78.0300000000000011	131.360000000000014	1	1.6100000000000001	1.98999999999999999	-0.560000000000000053	1.54000000000000004	1.12000000000000011	-3.20000000000000018	0.191000000000000003	0.000630000000000000026	Soluble	-3.97999999999999998	0.0316000000000000031	0.000105000000000000004	Soluble	-3.24000000000000021	0.172999999999999987	0.00057300000000000005	Soluble	High	No	No	Yes	No	No	Yes	Yes	-7	0	0	0	0	0	0.550000000000000044
1803	740.659999999999968	C33H40O19	\N	\N	1	Oc1ccc(cc1)c1oc2cc(O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)cc(c2c(=O)c1O[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	52	16	0.550000000000000044	8	19	11	170.319999999999993	308.120000000000005	1.79000000000000004	-1.28000000000000003	-2.89000000000000012	-4.76999999999999957	-3.14999999999999991	-2.06000000000000005	-3.33000000000000007	0.349999999999999978	0.000473000000000000005	Soluble	-4.69000000000000039	0.0149999999999999994	2.02999999999999988e-05	Moderately soluble	0.369999999999999996	1740	2.35999999999999988	Soluble	Low	No	Yes	No	No	No	No	No	-11.7300000000000004	3	4	1	1	4	0.170000000000000012
1804	538.460000000000036	C30H18O10	\N	\N	1	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)c1cc(ccc1O)c1cc(=O)c2c(o1)cc(cc2O)O)O	40	32	0	3	10	6	146.969999999999999	181.800000000000011	3.06000000000000005	5.04000000000000004	5.12999999999999989	0.25	4.61000000000000032	3.62000000000000011	-6.75	9.62999999999999962e-05	1.79000000000000001e-07	Poorly soluble	-8.59999999999999964	1.3599999999999999e-06	2.51999999999999998e-09	Poorly soluble	-8.69999999999999929	1.06999999999999992e-06	1.98000000000000019e-09	Poorly soluble	Low	No	No	No	No	No	No	No	-6.00999999999999979	2	2	1	1	3	0.170000000000000012
1805	344.319999999999993	C18H16O7	\N	\N	1	COc1ccc(cc1)c1oc2cc(O)c(c(c2c(=O)c1OC)O)OC	25	16	0.170000000000000012	4	7	2	91.4399999999999977	98.3599999999999994	3.25	3.14000000000000012	2.89999999999999991	0.170000000000000012	3.12000000000000011	2.52000000000000002	-4.16000000000000014	0.0236999999999999988	6.88000000000000054e-05	Moderately soluble	-4.87999999999999989	0.00459000000000000033	1.32999999999999997e-05	Moderately soluble	-5.33000000000000007	0.00162999999999999994	4.7199999999999997e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.16999999999999993	0	0	0	0	0	0.550000000000000044
1806	564.490000000000009	C26H28O14	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)c2c(c1O)c(=O)cc(o2)c1ccc(cc1)O	40	16	0.419999999999999984	4	14	10	133.259999999999991	250.969999999999999	1.46999999999999997	-2.18999999999999995	-2.39999999999999991	-3.9700000000000002	-1.32000000000000006	-1.67999999999999994	-1.98999999999999999	5.75	0.0102000000000000007	Very soluble	-2.54999999999999982	1.59000000000000008	0.00282000000000000002	Soluble	-0.709999999999999964	110	0.195000000000000007	Soluble	Low	No	Yes	No	No	No	No	No	-11.3000000000000007	3	3	1	1	4	0.170000000000000012
1808	374.339999999999975	C19H18O8	\N	\N	1	COc1cccc(c1c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC)O	27	16	0.209999999999999992	5	8	2	97.9300000000000068	107.590000000000003	3.10999999999999988	2.91000000000000014	2.91000000000000014	-0.119999999999999996	3.18999999999999995	2.39999999999999991	-4.09999999999999964	0.0294999999999999984	7.88999999999999934e-05	Moderately soluble	-4.83000000000000007	0.00553000000000000019	1.48000000000000006e-05	Moderately soluble	-5.42999999999999972	0.00137999999999999993	3.68999999999999982e-06	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-6.51999999999999957	0	0	0	0	0	0.550000000000000044
1809	286.240000000000009	C15H10O6	\N	\N	1	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)O)O	21	16	0	1	6	4	76.0100000000000051	111.129999999999995	2.08000000000000007	2.66000000000000014	2.2799999999999998	-0.0299999999999999989	2.0299999999999998	1.81000000000000005	-3.79000000000000004	0.0466000000000000025	0.000163000000000000005	Soluble	-4.65000000000000036	0.00647999999999999965	2.26000000000000005e-05	Moderately soluble	-3.81999999999999984	0.0429000000000000006	0.000149999999999999987	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.16000000000000014	0	0	0	0	0	0.550000000000000044
1810	316.259999999999991	C16H12O7	\N	\N	1	COc1c(O)cc(c2c1oc(c1ccc(cc1)O)c(c2=O)O)O	23	16	0.0599999999999999978	2	7	4	82.5	120.359999999999999	2.04000000000000004	2.49000000000000021	2.29000000000000004	-0.309999999999999998	2.06000000000000005	1.71999999999999997	-3.75	0.0558999999999999983	0.000176999999999999993	Soluble	-4.66000000000000014	0.00687999999999999983	2.16999999999999989e-05	Moderately soluble	-3.93999999999999995	0.0364999999999999977	0.000115000000000000003	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.45999999999999996	0	0	0	0	0	0.550000000000000044
1811	372.370000000000005	C20H20O7	\N	\N	1	COc1ccc(cc1OC)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OC	27	16	0.25	6	7	0	100.379999999999995	76.3599999999999994	3.66000000000000014	3.5	3.5	0.630000000000000004	4.20999999999999996	3.10000000000000009	-4.40000000000000036	0.0149999999999999994	4.02000000000000014e-05	Moderately soluble	-4.79000000000000004	0.00608999999999999993	1.62999999999999998e-05	Moderately soluble	-6.70999999999999996	7.2399999999999998e-05	1.95000000000000012e-07	Poorly soluble	High	Yes	No	No	Yes	Yes	No	Yes	-6.08999999999999986	0	0	0	0	0	0.550000000000000044
1812	462.399999999999977	C22H22O11	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(OC)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O	33	16	0.320000000000000007	4	11	7	113.099999999999994	190.280000000000001	2.18000000000000016	0.179999999999999993	-0.220000000000000001	-2.29000000000000004	0.400000000000000022	0.0500000000000000028	-2.91999999999999993	0.562000000000000055	0.00121999999999999995	Soluble	-3.72999999999999998	0.0853000000000000008	0.000184999999999999997	Soluble	-2.47999999999999998	1.55000000000000004	0.00335000000000000011	Soluble	Low	No	No	No	No	No	No	No	-8.99000000000000021	2	0	1	1	3	0.170000000000000012
1813	316.259999999999991	C16H12O7	\N	\N	1	COc1ccc(cc1O)c1oc2cc(O)cc(c2c(=O)c1O)O	23	16	0.0599999999999999978	2	7	4	82.5	120.359999999999999	2.24000000000000021	2.95000000000000018	2.29000000000000004	-0.309999999999999998	2.06000000000000005	1.85000000000000009	-4.04000000000000004	0.0286999999999999998	9.0799999999999998e-05	Moderately soluble	-5.13999999999999968	0.00228999999999999993	7.24000000000000014e-06	Moderately soluble	-3.93999999999999995	0.0364999999999999977	0.000115000000000000003	Soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.12999999999999989	0	0	0	0	0	0.550000000000000044
1815	372.370000000000005	C20H20O7	\N	\N	1	COc1ccc(cc1)c1cc(=O)c2c(o1)c(OC)c(c(c2OC)OC)OC	27	16	0.25	6	7	0	100.379999999999995	76.3599999999999994	3.70999999999999996	3.04000000000000004	3.5	0.630000000000000004	4.20999999999999996	3.02000000000000002	-4.11000000000000032	0.0291000000000000009	7.83000000000000059e-05	Moderately soluble	-4.30999999999999961	0.0183000000000000003	4.89999999999999984e-05	Moderately soluble	-6.70999999999999996	7.2399999999999998e-05	1.95000000000000012e-07	Poorly soluble	High	Yes	No	No	No	Yes	No	Yes	-6.41000000000000014	0	0	0	0	0	0.550000000000000044
1816	360.310000000000002	C18H16O8	\N	\N	1	COc1cc(ccc1O)c1cc(=O)c2c(o1)c(OC)c(c(c2O)O)OC	26	16	0.170000000000000012	4	8	3	93.4599999999999937	118.590000000000003	3.06999999999999984	2.58000000000000007	2.60000000000000009	-0.349999999999999978	2.64999999999999991	2.10999999999999988	-3.89000000000000012	0.0463000000000000009	0.000128999999999999991	Soluble	-4.71999999999999975	0.00687999999999999983	1.91000000000000001e-05	Moderately soluble	-4.74000000000000021	0.00655999999999999986	1.81999999999999985e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.66999999999999993	0	0	0	0	0	0.550000000000000044
1817	302.240000000000009	C15H10O7	\N	\N	1	Oc1cc(O)c2c(c1)oc(cc2=O)c1cc(O)c(c(c1)O)O	22	16	0	1	7	5	78.0300000000000011	131.360000000000014	1.33000000000000007	2.16999999999999993	1.98999999999999999	-0.560000000000000053	1.54000000000000004	1.30000000000000004	-3.54999999999999982	0.0845999999999999946	0.000279999999999999975	Soluble	-4.55999999999999961	0.00829000000000000049	2.73999999999999985e-05	Moderately soluble	-3.24000000000000021	0.172999999999999987	0.00057300000000000005	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.59999999999999964	0	0	0	0	0	0.550000000000000044
1818	330.29000000000002	C17H14O7	\N	\N	1	COc1cc(cc(c1O)OC)c1cc(=O)c2c(o1)cc(cc2O)O	24	16	0.119999999999999996	3	7	3	86.9699999999999989	109.359999999999999	2.58000000000000007	3.06999999999999984	2.58999999999999986	-0.0700000000000000067	2.58999999999999986	2.14999999999999991	-4.12000000000000011	0.0252000000000000002	7.62999999999999979e-05	Moderately soluble	-5.03000000000000025	0.00305999999999999979	9.25999999999999943e-06	Moderately soluble	-4.62999999999999989	0.00770999999999999984	2.33000000000000005e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.13999999999999968	0	0	0	0	0	0.550000000000000044
1819	368.339999999999975	C20H16O7	\N	\N	1	CC(=C)[C@@H]1Cc2c(O1)cc1c(c2O)c(=O)c(c(o1)c1ccc(c(c1)O)O)O	27	16	0.149999999999999994	2	7	4	99.2999999999999972	120.359999999999999	2.39000000000000012	3.83000000000000007	3.16000000000000014	0.560000000000000053	3.2200000000000002	2.62999999999999989	-4.83999999999999986	0.00529000000000000043	1.43999999999999993e-05	Moderately soluble	-6.04999999999999982	0.000326000000000000009	8.84999999999999997e-07	Poorly soluble	-4.66999999999999993	0.00786000000000000067	2.12999999999999994e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.83000000000000007	0	0	0	0	0	0.550000000000000044
1820	594.519999999999982	C27H30O15	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c(c2c1oc(cc2=O)c1ccc(cc1)O)O	42	16	0.440000000000000002	5	15	11	139.22999999999999	271.199999999999989	1.72999999999999998	-2.25999999999999979	-3.04000000000000004	-4.50999999999999979	-1.80000000000000004	-1.97999999999999998	-2.04999999999999982	5.25	0.00882999999999999931	Soluble	-2.89999999999999991	0.745999999999999996	0.00126000000000000005	Soluble	-0.270000000000000018	319	0.536000000000000032	Soluble	Low	No	Yes	No	No	No	No	No	-11.5299999999999994	3	4	1	1	4	0.170000000000000012
1821	578.519999999999982	C27H30O14	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)c2c(c1O)c(=O)cc(o2)c1ccc(cc1)O	41	16	0.440000000000000002	4	14	10	138.069999999999993	250.969999999999999	2.04000000000000004	-1.76000000000000001	-2.00999999999999979	-3.77000000000000002	-1.20999999999999996	-1.34000000000000008	-2.33999999999999986	2.62999999999999989	0.00453999999999999976	Soluble	-3	0.584999999999999964	0.00101000000000000005	Soluble	-0.849999999999999978	81.7000000000000028	0.140999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-11.0800000000000001	3	4	1	1	3	0.170000000000000012
1823	328.269999999999982	C17H12O7	\N	\N	1	O[C@]12COc3c([C@@H]2Oc2c1cc1OCOc1c2)ccc1c3OCO1	24	12	0.28999999999999998	0	7	1	77.8199999999999932	75.6099999999999994	2.91999999999999993	2.41999999999999993	1.41999999999999993	1.02000000000000002	2.41000000000000014	2.04000000000000004	-3.77000000000000002	0.0558000000000000024	0.000170000000000000012	Soluble	-3.64999999999999991	0.0734000000000000069	0.000223999999999999997	Soluble	-3.87999999999999989	0.0430999999999999994	0.000131000000000000013	Soluble	High	No	No	Yes	Yes	Yes	Yes	Yes	-6.58000000000000007	0	0	0	0	0	0.550000000000000044
1824	298.29000000000002	C17H14O5	\N	\N	1	COc1ccc(cc1)c1coc2c(c1=O)cc(c(c2)O)OC	22	16	0.119999999999999996	3	5	1	82.9300000000000068	68.9000000000000057	2.9700000000000002	2.77000000000000002	3.18000000000000016	1.01000000000000001	3.54999999999999982	2.70000000000000018	-3.77000000000000002	0.0500999999999999987	0.000167999999999999991	Soluble	-3.87000000000000011	0.0400000000000000008	0.000134000000000000005	Soluble	-5.79999999999999982	0.000473999999999999975	1.59000000000000002e-06	Moderately soluble	High	Yes	No	Yes	No	Yes	Yes	Yes	-6.15000000000000036	0	0	0	0	0	0.550000000000000044
1825	254.240000000000009	C15H10O4	\N	\N	1	Oc1ccc2c(c1)OCc1c2oc2c1ccc(c2)O	19	15	0.0700000000000000067	0	4	2	70.230000000000004	62.8299999999999983	2.06999999999999984	2.81999999999999984	3.25	1.45999999999999996	2.99000000000000021	2.52000000000000002	-3.7799999999999998	0.0425000000000000031	0.000166999999999999994	Soluble	-3.79999999999999982	0.0405999999999999972	0.000160000000000000013	Soluble	-4.66999999999999993	0.00542000000000000034	2.12999999999999994e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-5.84999999999999964	0	0	0	0	0	0.550000000000000044
1826	312.269999999999982	C17H12O6	\N	\N	1	COc1c2OCOc2cc2c1c(=O)c(co2)c1ccccc1O	23	16	0.119999999999999996	2	6	1	82.5	78.1299999999999955	2.39999999999999991	2.60999999999999988	2.89999999999999991	0.869999999999999996	3.39000000000000012	2.43999999999999995	-3.79999999999999982	0.0490999999999999978	0.000156999999999999994	Soluble	-3.89999999999999991	0.0393000000000000016	0.000126	Soluble	-5.41999999999999993	0.00119999999999999989	3.82999999999999975e-06	Moderately soluble	High	Yes	No	Yes	No	Yes	Yes	Yes	-6.34999999999999964	0	0	0	0	0	0.550000000000000044
1827	298.25	C16H10O6	\N	\N	1	COC1=CC(=O)C(=CC1=O)c1coc2c(c1=O)ccc(c2)O	22	10	0.0599999999999999978	2	6	1	77.5300000000000011	93.8100000000000023	1.65999999999999992	1.12000000000000011	1.56000000000000005	-0.650000000000000022	2.54999999999999982	1.25	-2.60000000000000009	0.751000000000000001	0.0025200000000000001	Soluble	-2.68000000000000016	0.617999999999999994	0.00206999999999999979	Soluble	-4.09999999999999964	0.0235999999999999995	7.93000000000000031e-05	Moderately soluble	High	No	No	No	No	No	No	No	-7.32000000000000028	0	0	0	0	0	0.560000000000000053
1828	300.259999999999991	C16H12O6	\N	\N	1	COc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1O)O	22	16	0.0599999999999999978	2	6	3	80.480000000000004	100.129999999999995	2.06999999999999984	2.64000000000000012	2.58999999999999986	0.220000000000000001	2.54999999999999982	2.00999999999999979	-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
1830	268.220000000000027	C15H8O5	\N	\N	1	Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O	20	17	0	0	5	2	73.8100000000000023	83.8100000000000023	1.80000000000000004	2.75999999999999979	3.10000000000000009	1.76000000000000001	2.87999999999999989	2.45999999999999996	-3.87000000000000011	0.0361000000000000001	0.000135000000000000002	Soluble	-4.17999999999999972	0.0178999999999999992	6.67999999999999974e-05	Moderately soluble	-5.03000000000000025	0.00251000000000000008	9.37999999999999998e-06	Moderately soluble	High	No	No	Yes	No	No	Yes	No	-5.98000000000000043	0	0	0	0	0	0.550000000000000044
1889	258.269999999999982	C15H14O4	\N	\N	1	Oc1ccc(cc1)CCc1cccc(c1C(=O)O)O	19	12	0.130000000000000004	4	4	3	71.7099999999999937	77.7600000000000051	1.3600000000000001	3.50999999999999979	2.58000000000000007	2.4700000000000002	2.64999999999999991	2.52000000000000002	-3.85999999999999988	0.0359999999999999973	0.000138999999999999991	Soluble	-4.83000000000000007	0.00385000000000000012	1.48999999999999996e-05	Moderately soluble	-3.95000000000000018	0.0288999999999999986	0.000111999999999999998	Soluble	High	Yes	No	No	No	No	No	No	-5.37999999999999989	0	0	0	0	0	0.560000000000000053
1831	354.399999999999977	C21H22O5	\N	\N	1	COc1ccc2c(c1CC=C(C)C)O[C@@H]1[C@@]2(O)COc2c1ccc(c2)O	26	12	0.330000000000000016	3	5	2	97.9300000000000068	68.1500000000000057	3.10000000000000009	4.33999999999999986	3.18999999999999995	2.12000000000000011	3.93999999999999995	3.33999999999999986	-4.91000000000000014	0.0043099999999999996	1.22000000000000001e-05	Moderately soluble	-5.49000000000000021	0.00116000000000000001	3.27000000000000003e-06	Moderately soluble	-5.17999999999999972	0.00234000000000000007	6.58999999999999959e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	Yes	Yes	-5.37999999999999989	0	0	0	0	0	0.550000000000000044
1832	354.350000000000023	C20H18O6	\N	\N	1	Oc1ccc(c(c1)O)[C@@H]1COc2c(C1=O)c(O)cc1c2C=CC(O1)(C)C	26	12	0.25	1	6	3	95.6899999999999977	96.2199999999999989	1.96999999999999997	3.47999999999999998	3.24000000000000021	1.28000000000000003	2.95000000000000018	2.58000000000000007	-4.5	0.0111000000000000005	3.13000000000000019e-05	Moderately soluble	-5.17999999999999972	0.00232000000000000001	6.55999999999999987e-06	Moderately soluble	-4.24000000000000021	0.0202999999999999986	5.72999999999999969e-05	Moderately soluble	High	No	Yes	Yes	No	Yes	Yes	Yes	-5.99000000000000021	0	0	0	0	0	0.550000000000000044
1833	254.240000000000009	C15H10O4	\N	\N	1	Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O	19	16	0	1	4	2	71.9699999999999989	70.6700000000000017	1.77000000000000002	2.4700000000000002	2.87000000000000011	1.08000000000000007	3.02000000000000002	2.24000000000000021	-3.5299999999999998	0.0751000000000000001	0.000295000000000000015	Soluble	-3.60000000000000009	0.0641000000000000042	0.000252	Soluble	-4.98000000000000043	0.00263999999999999999	1.04000000000000004e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-6.09999999999999964	0	0	0	0	0	0.550000000000000044
1834	546.519999999999982	C30H26O10	\N	\N	1	Oc1ccc(cc1)[C@H]1Oc2c(C[C@@H]1O)c(O)cc(c2[C@H]1[C@H](O)[C@H](Oc2c1c(O)cc(c2)O)c1ccc(cc1)O)O	40	24	0.200000000000000011	3	10	8	142.669999999999987	180.300000000000011	2.20999999999999996	3.08000000000000007	2.93999999999999995	0.719999999999999973	2.08999999999999986	2.20999999999999996	-5.41000000000000014	0.00209999999999999987	3.85000000000000041e-06	Moderately soluble	-6.53000000000000025	0.000160000000000000013	2.9299999999999999e-07	Poorly soluble	-5.09999999999999964	0.0043	7.86999999999999919e-06	Moderately soluble	Low	No	No	No	No	No	No	Yes	-7.45000000000000018	2	2	1	1	2	0.170000000000000012
1835	1871.26999999999998	C82H54O52	\N	\N	1	O=C(c1cc(O)c(c(c1)Oc1c(cc(c(c1O)O)O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@@H]2[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c3O)O)O)O)O)O[C@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c3O)O)O)O	134	60	0.149999999999999994	8	52	29	422.579999999999984	877.360000000000014	2.08999999999999986	4.16999999999999993	3.68999999999999995	-6.70999999999999996	-4.32000000000000028	-0.209999999999999992	-13.8699999999999992	2.50999999999999993e-11	1.34e-14	Insoluble	-22.3000000000000007	9.30999999999999972e-20	4.98000000000000015e-23	Insoluble	-4.5	0.0585000000000000034	3.13000000000000019e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-14.75	3	3	1	1	5	0.170000000000000012
1836	934.629999999999995	C41H26O26	\N	\N	1	O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3Oc3c(c4c5c(C(=O)O[C@@H]2[C@@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c5oc(=O)c4cc3O)O)O)O)O	67	32	0.149999999999999994	0	26	14	213.210000000000008	437.089999999999975	0.890000000000000013	1.60000000000000009	1.76000000000000001	-2.68999999999999995	-1.56000000000000005	0	-7	9.43000000000000018e-05	1.01000000000000004e-07	Poorly soluble	-10.3900000000000006	3.80000000000000028e-08	4.0699999999999999e-11	Insoluble	-3.58000000000000007	0.245999999999999996	0.00026400000000000002	Soluble	Low	No	Yes	No	No	No	No	No	-10.8699999999999992	3	3	1	1	5	0.170000000000000012
1874	300.310000000000002	C17H16O5	\N	\N	1	COc1c(O)c2COc3c4c2c(c1OC)CCc4cc(c3)O	22	12	0.28999999999999998	2	5	2	81.2600000000000051	68.1500000000000057	2.43000000000000016	2.62000000000000011	2.62000000000000011	1.55000000000000004	3.50999999999999979	2.54999999999999982	-3.62000000000000011	0.0714000000000000051	0.000238000000000000012	Soluble	-3.70000000000000018	0.059799999999999999	0.000199000000000000012	Soluble	-4.57000000000000028	0.00803000000000000068	2.66999999999999985e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.26999999999999957	0	0	0	0	0	0.550000000000000044
1837	936.649999999999977	C41H28O26	\N	\N	1	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c3O)O)O)O	67	30	0.149999999999999994	3	26	15	212.259999999999991	444.180000000000007	1.75	2.10000000000000009	1.64999999999999991	-3.22999999999999998	-1.98999999999999999	0.0599999999999999978	-7.09999999999999964	7.38000000000000049e-05	7.88000000000000042e-08	Poorly soluble	-11.0600000000000005	8.18999999999999922e-09	8.75000000000000048e-12	Insoluble	-2.58000000000000007	2.49000000000000021	0.00265000000000000001	Soluble	Low	No	Yes	No	No	No	No	No	-10.5199999999999996	3	3	1	1	5	0.170000000000000012
1839	954.659999999999968	C41H30O27	\N	\N	1	OC(=O)C[C@@H]1C(=O)O[C@@H]2[C@@H]3COC(=O)c4cc(O)c(c(c4c4c(C(=O)O[C@@H]2[C@@H](OC(=O)c2c5[C@H]1[C@H](O)C(=O)Oc5c(c(c2)O)O)[C@@H](O3)OC(=O)c1cc(O)c(c(c1)O)O)cc(O)c(c4O)O)O)O	68	24	0.239999999999999991	5	27	13	210.060000000000002	447.089999999999975	0.270000000000000018	0.359999999999999987	0	-2.64000000000000012	-2.56000000000000005	-0.92000000000000004	-5.91999999999999993	0.00116000000000000001	1.21000000000000006e-06	Moderately soluble	-9.3100000000000005	4.64000000000000026e-07	4.85999999999999976e-10	Poorly soluble	-1.58000000000000007	25.1999999999999993	0.0263999999999999999	Soluble	Low	No	Yes	No	No	No	No	No	-11.8699999999999992	3	3	1	1	5	0.110000000000000001
1840	956.67999999999995	C41H32O27	\N	\N	1	OC(=O)C[C@@H]1C(=O)O[C@@H]2[C@@H](COC(=O)c3cc(O)c(c(c3)O)O)O[C@H]([C@@H]([C@H]2OC(=O)c2cc(O)c(c(c2)O)O)OC(=O)c2c3[C@H]1[C@H](O)C(=O)Oc3c(c(c2)O)O)OC(=O)c1cc(O)c(c(c1)O)O	68	24	0.239999999999999991	12	27	13	211.069999999999993	447.089999999999975	-1.09000000000000008	0.660000000000000031	0.0200000000000000004	-2.64000000000000012	-2.2799999999999998	-1.07000000000000006	-5.66000000000000014	0.0021099999999999999	2.21000000000000002e-06	Moderately soluble	-9.61999999999999922	2.27000000000000008e-07	2.37000000000000009e-10	Poorly soluble	-1.27000000000000002	51.6000000000000014	0.0539999999999999994	Soluble	Low	No	Yes	No	No	No	No	No	-11.6699999999999999	3	3	2	1	4	0.110000000000000001
1841	416.379999999999995	C21H20O9	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	30	16	0.28999999999999998	4	9	5	104.090000000000003	149.819999999999993	2.41999999999999993	0.67000000000000004	0.340000000000000024	-1.1100000000000001	0.819999999999999951	0.630000000000000004	-2.9700000000000002	0.442000000000000004	0.00105999999999999996	Soluble	-3.39000000000000012	0.169000000000000011	0.000404999999999999978	Soluble	-3.2799999999999998	0.217999999999999999	0.000522000000000000003	Soluble	Low	No	No	No	No	No	No	No	-8.35999999999999943	0	0	1	1	0	0.550000000000000044
1842	1875.30999999999995	C82H58O52	\N	\N	1	O=C(c1cc(O)c(c(c1)Oc1c(cc(c(c1O)O)O)C(=O)O[C@@H]1O[C@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)cc(O)c(c3O)O)O)O)O)O[C@@H]1O[C@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)cc(O)c(c3O)O)O)O	134	60	0.149999999999999994	20	52	29	424.589999999999975	877.360000000000014	3.81000000000000005	4.75999999999999979	3.72999999999999998	-6.70999999999999996	-4.03000000000000025	0.309999999999999998	-13.4800000000000004	6.25000000000000039e-11	3.33000000000000007e-14	Insoluble	-22.9200000000000017	2.27999999999999986e-20	1.22000000000000007e-23	Insoluble	-3.62999999999999989	0.437	0.000232999999999999999	Soluble	Low	No	Yes	No	No	No	No	No	-14.3599999999999994	3	3	2	1	6	0.170000000000000012
1843	634.450000000000045	C27H22O18	\N	\N	1	O[C@@H]1[C@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@@H]1[C@H]([C@@H](O2)OC(=O)c1cc(O)c(c(c1)O)O)O)cc(O)c(c3O)O)O)O	45	18	0.220000000000000001	3	18	11	141.849999999999994	310.660000000000025	1.47999999999999998	0.0700000000000000067	-0.299999999999999989	-2.41999999999999993	-2.14999999999999991	-0.660000000000000031	-3.91999999999999993	0.076999999999999999	0.000121	Soluble	-6.15000000000000036	0.000451999999999999982	7.12000000000000023e-07	Poorly soluble	-0.510000000000000009	195	0.306999999999999995	Soluble	Low	No	Yes	No	No	No	No	No	-10.1199999999999992	3	2	1	1	4	0.170000000000000012
1844	800.580000000000041	C35H28O22	\N	\N	1	O=C(c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)O[C@@H]1[C@H](OC(=O)c2cc(O)c(c(c2)O)O)C[C@@](C[C@H]1OC(=O)c1cc(O)c(c(c1)O)O)(O)C(=O)O	57	24	0.170000000000000012	13	22	13	182.680000000000007	385.259999999999991	0.419999999999999984	1.83000000000000007	1.25	-2.08000000000000007	-1.16999999999999993	0.0500000000000000028	-5.41000000000000014	0.00310999999999999992	3.89000000000000003e-06	Moderately soluble	-9.53999999999999915	2.30999999999999991e-07	2.87999999999999988e-10	Poorly soluble	-1.54000000000000004	22.8000000000000007	0.028500000000000001	Soluble	Low	No	Yes	No	No	No	No	No	-9.88000000000000078	3	3	2	1	4	0.110000000000000001
1845	578.519999999999982	C30H26O12	\N	\N	1	Oc1cc(O)c2c(c1)O[C@@H]([C@@H]([C@H]2c1c(O)cc(c2c1O[C@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O	42	24	0.200000000000000011	3	12	10	146.710000000000008	220.759999999999991	2.14000000000000012	2.37000000000000011	2.35000000000000009	-0.260000000000000009	1.1399999999999999	1.55000000000000004	-5.13999999999999968	0.00415000000000000004	7.16999999999999996e-06	Moderately soluble	-6.65000000000000036	0.000131000000000000013	2.26000000000000012e-07	Poorly soluble	-3.91000000000000014	0.0704999999999999932	0.000121999999999999997	Soluble	Low	No	No	No	No	No	No	Yes	-8.15000000000000036	3	2	1	1	3	0.170000000000000012
1846	1731.52999999999997	C90H74O36	\N	\N	1	Oc1cc(O)c2c(c1)O[C@@H]([C@@H]([C@H]2c1c(O)cc(c2c1O[C@H](c1ccc(c(c1)O)O)[C@@H]([C@H]2c1c(O)cc(c2c1O[C@H](c1ccc(c(c1)O)O)[C@@H]([C@H]2c1c(O)cc(c2c1O[C@H](c1ccc(c(c1)O)O)[C@@H]([C@H]2c1c(O)cc(c2c1O[C@H](c1ccc(c(c1)O)O)[C@@H]([C@H]2c1c(O)cc(c2c1O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O)O)O)c1ccc(c(c1)O)O	126	72	0.200000000000000011	11	36	30	436.230000000000018	662.279999999999973	2.18999999999999995	6.16000000000000014	6.83999999999999986	-4.37999999999999989	1.80000000000000004	2.52000000000000002	-14.1500000000000004	1.22000000000000005e-11	7.03000000000000024e-15	Insoluble	-19.8500000000000014	2.43999999999999996e-17	1.40999999999999986e-20	Insoluble	-9.91000000000000014	2.12999999999999988e-07	1.22999999999999989e-10	Poorly soluble	Low	No	Yes	No	No	No	No	No	-12.4900000000000002	3	4	2	2	6	0.170000000000000012
1848	938.659999999999968	C41H30O26	\N	\N	1	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H](O[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)OC2)cc(c(c1O)O)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O	67	30	0.149999999999999994	9	26	15	213.27000000000001	444.180000000000007	1.81000000000000005	2.39999999999999991	1.66999999999999993	-2.83000000000000007	-1.8899999999999999	0.23000000000000001	-6.91000000000000014	0.000116000000000000001	1.23000000000000003e-07	Poorly soluble	-11.3699999999999992	4.01000000000000001e-09	4.27000000000000018e-12	Insoluble	-2.14000000000000012	6.76999999999999957	0.00721000000000000026	Soluble	Low	No	Yes	No	No	No	No	No	-10.3200000000000003	3	3	1	1	4	0.170000000000000012
1849	834.769999999999982	C45H38O16	\N	\N	1	Oc1ccc2c(c1)O[C@@H]([C@@H]([C@H]2c1c(O)c2C[C@H](O)[C@H](Oc2c(c1O)[C@@H]1[C@@H](O)[C@H](Oc2c1ccc(c2)O)c1ccc(c(c1)O)O)c1ccc(c(c1)O)O)O)c1ccc(c(c1)O)O	61	36	0.200000000000000011	5	16	13	215.050000000000011	290.680000000000007	2.75999999999999979	4.03000000000000025	4.05999999999999961	-0.190000000000000002	2.25	2.58000000000000007	-7.66000000000000014	1.81999999999999985e-05	2.18e-08	Poorly soluble	-9.83999999999999986	1.21000000000000011e-07	1.4499999999999999e-10	Poorly soluble	-6.71999999999999975	0.000158999999999999989	1.91000000000000003e-07	Poorly soluble	Low	No	Yes	No	No	No	No	No	-8.52999999999999936	3	3	1	1	5	0.170000000000000012
1850	610.519999999999982	C30H26O14	\N	\N	1	Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc(c2c1O[C@@H]([C@@H](C2)O)c1cc(O)c(c(c1)O)O)O)O)c1cc(O)c(c(c1)O)O	44	24	0.200000000000000011	3	14	12	150.759999999999991	261.220000000000027	1.87999999999999989	1.65999999999999992	1.76000000000000001	-1.21999999999999997	0.200000000000000011	0.849999999999999978	-4.87999999999999989	0.00810999999999999915	1.32999999999999997e-05	Moderately soluble	-6.75999999999999979	0.000106000000000000002	1.73999999999999996e-07	Poorly soluble	-2.7200000000000002	1.15999999999999992	0.0019	Soluble	Low	No	No	No	No	No	No	No	-8.84999999999999964	3	2	1	1	4	0.170000000000000012
1851	562.519999999999982	C30H26O11	\N	\N	1	Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2[C@@H]([C@H]1O)c1c(O)cc(c2c1O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)O	41	24	0.200000000000000011	3	11	9	144.689999999999998	200.530000000000001	2.08000000000000007	2.7200000000000002	2.64000000000000012	0.23000000000000001	1.6100000000000001	1.8600000000000001	-5.28000000000000025	0.00298000000000000001	5.29000000000000017e-06	Moderately soluble	-6.58000000000000007	0.000145999999999999998	2.59999999999999999e-07	Poorly soluble	-4.50999999999999979	0.0173999999999999988	3.10000000000000014e-05	Moderately soluble	Low	No	No	No	No	No	No	Yes	-7.79999999999999982	3	2	1	1	3	0.170000000000000012
1852	1873.28999999999996	C82H56O52	\N	\N	1	Oc1cc(cc(c1O)Oc1c(cc(c(c1O)O)O)C(=O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c3O)O)O)O)C(=O)O[C@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3cc(C(=O)O[C@H]2[C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)c(O)c(c3O)O)O)O	134	60	0.149999999999999994	14	52	29	423.579999999999984	877.360000000000014	3.10000000000000009	4.46999999999999975	3.70999999999999996	-6.70999999999999996	-4.16999999999999993	0.0800000000000000017	-13.6799999999999997	3.93000000000000026e-11	2.09999999999999989e-14	Insoluble	-22.6099999999999994	4.54999999999999998e-20	2.4300000000000001e-23	Insoluble	-4.07000000000000028	0.160000000000000003	8.52999999999999998e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-14.5500000000000007	3	3	2	1	5	0.170000000000000012
1853	952.639999999999986	C41H28O27	\N	\N	1	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]4[C@@H]1OC(=O)c1cc(O)c(c5c1[C@@H]1C(=CC(=O)[C@](O5)(C1(O)O)O)C(=O)O[C@H]24)O)cc(O)c(c3O)O)O)O	68	24	0.220000000000000001	3	27	14	208.099999999999994	450.25	0.160000000000000003	-0.589999999999999969	-1.10000000000000009	-3.45000000000000018	-3.00999999999999979	-1.60000000000000009	-5.44000000000000039	0.00348000000000000002	3.65000000000000021e-06	Moderately soluble	-8.39000000000000057	3.83999999999999966e-06	4.03000000000000035e-09	Poorly soluble	-1.3899999999999999	38.5	0.0405000000000000013	Soluble	Low	No	Yes	No	No	No	No	No	-12.5299999999999994	3	4	1	1	5	0.170000000000000012
1854	546.519999999999982	C30H26O10	\N	\N	1	Oc1ccc(cc1)[C@H]1Oc2cc(O)ccc2[C@@H]([C@@H]1O)c1c(O)cc2c(c1O)C[C@@H]([C@H](O2)c1ccc(c(c1)O)O)O	40	24	0.200000000000000011	3	10	8	142.669999999999987	180.300000000000011	2.10000000000000009	3.08000000000000007	2.93999999999999995	0.719999999999999973	2.08999999999999986	2.18000000000000016	-5.41000000000000014	0.00209999999999999987	3.85000000000000041e-06	Moderately soluble	-6.53000000000000025	0.000160000000000000013	2.9299999999999999e-07	Poorly soluble	-5.09999999999999964	0.0043	7.86999999999999919e-06	Moderately soluble	Low	No	No	No	No	No	No	Yes	-7.45000000000000018	2	2	1	1	2	0.170000000000000012
1855	954.659999999999968	C41H30O27	\N	\N	1	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H](O[C@H]2[C@H]1OC(=O)c1cc(O)c(c3c1[C@@H]1C(=CC(=O)[C@](O3)(C1(O)O)O)C(=O)OC2)O)OC(=O)c1cc(O)c(c(c1)O)O	68	24	0.220000000000000001	9	27	14	209.110000000000014	450.25	0.0599999999999999978	-0.28999999999999998	-1.08000000000000007	-3.85999999999999988	-2.91999999999999993	-1.62000000000000011	-5.24000000000000021	0.00544999999999999998	5.71000000000000039e-06	Moderately soluble	-8.71000000000000085	1.88e-06	1.97000000000000002e-09	Poorly soluble	-0.959999999999999964	105	0.110000000000000001	Soluble	Low	No	Yes	No	No	No	No	No	-12.3300000000000001	3	4	1	1	5	0.170000000000000012
1857	528.509999999999991	C30H24O9	\N	\N	1	Oc1ccc(cc1)[C@H]1Oc2c(C[C@H]1O)c(O)cc1c2[C@H]2C[C@@](O1)(Oc1c2c(O)cc(c1)O)c1ccc(cc1)O	39	24	0.200000000000000011	2	9	6	138.939999999999998	149.069999999999993	2.58000000000000007	4.07000000000000028	3.97999999999999998	2.16000000000000014	3.20000000000000018	3.20000000000000018	-6	0.000523000000000000027	9.9000000000000005e-07	Poorly soluble	-6.91000000000000014	6.58000000000000002e-05	1.23999999999999999e-07	Poorly soluble	-6.45999999999999996	0.000184	3.47999999999999993e-07	Poorly soluble	Low	No	No	No	No	Yes	No	Yes	-6.62999999999999989	2	2	1	1	1	0.170000000000000012
1858	1120.75	C48H32O32	\N	\N	1	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@@H]2COC(=O)c3cc(Oc4c(cc(c(c4O)O)O)C(=O)O)c(c(c3c3c(C(=O)O[C@@H]4[C@H]1OC(=O)c1cc(O)c(c5c1[C@@H]1C(=CC(=O)[C@](O5)(C1(O)O)O)C(=O)O[C@H]24)O)cc(O)c(c3O)O)O)O	80	30	0.190000000000000002	6	32	17	245.620000000000005	537.240000000000009	-0.149999999999999994	-0.239999999999999991	-0.200000000000000011	-4.11000000000000032	-3.35000000000000009	-1.6100000000000001	-6.51999999999999957	0.000339	3.03e-07	Poorly soluble	-10.5800000000000001	2.92000000000000001e-08	2.60999999999999991e-11	Insoluble	-1.57000000000000006	30.3999999999999986	0.0271999999999999985	Soluble	Low	No	Yes	No	No	No	No	No	-13.3100000000000005	3	3	1	1	5	0.110000000000000001
1859	784.539999999999964	C34H24O22	\N	\N	1	O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(c(c1O)O)O)O)O)cc(O)c(c3O)O)O)O	56	24	0.179999999999999993	0	22	13	176.550000000000011	377.420000000000016	0.75	0.939999999999999947	0.67000000000000004	-2.60000000000000009	-2.10000000000000009	-0.469999999999999973	-5.61000000000000032	0.00191000000000000002	2.43999999999999993e-06	Moderately soluble	-8.44999999999999929	2.77000000000000016e-06	3.53000000000000001e-09	Poorly soluble	-1.78000000000000003	13.0999999999999996	0.0166999999999999996	Soluble	Low	No	Yes	No	No	No	No	No	-10.4199999999999999	3	3	1	1	4	0.170000000000000012
1860	576.5	C30H24O12	\N	\N	1	Oc1cc(O)c2c(c1)O[C@@]1([C@@H]([C@H]2c2c(O1)cc(c1c2O[C@@H]([C@@H](C1)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O	42	24	0.200000000000000011	2	12	9	144.139999999999986	209.759999999999991	1.72999999999999998	2.39000000000000012	2.35999999999999988	0.409999999999999976	1.3600000000000001	1.64999999999999991	-5.20999999999999996	0.0035500000000000002	6.15000000000000041e-06	Moderately soluble	-6.44000000000000039	0.000211000000000000006	3.66000000000000022e-07	Poorly soluble	-4.44000000000000039	0.0206999999999999997	3.60000000000000009e-05	Moderately soluble	Low	No	No	No	No	Yes	No	Yes	-8.11999999999999922	3	2	1	1	3	0.170000000000000012
1861	578.519999999999982	C30H26O12	\N	\N	1	Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc(c2c1O[C@@H]([C@@H](C2)O)c1ccc(c(c1)O)O)O)O)c1ccc(c(c1)O)O	42	24	0.200000000000000011	3	12	10	146.710000000000008	220.759999999999991	2.04999999999999982	2.37000000000000011	2.35000000000000009	-0.260000000000000009	1.1399999999999999	1.53000000000000003	-5.13999999999999968	0.00415000000000000004	7.16999999999999996e-06	Moderately soluble	-6.65000000000000036	0.000131000000000000013	2.26000000000000012e-07	Poorly soluble	-3.91000000000000014	0.0704999999999999932	0.000121999999999999997	Soluble	Low	No	No	No	No	No	No	Yes	-8.15000000000000036	3	2	1	1	3	0.170000000000000012
1862	866.769999999999982	C45H38O18	\N	\N	1	Oc1ccc2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)c2C[C@H](O)[C@H](Oc2c(c1O)[C@H]1[C@H](O)[C@H](Oc2c1ccc(c2)O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O)O)c1cc(O)c(c(c1)O)O	63	36	0.200000000000000011	5	18	15	219.090000000000003	331.139999999999986	2.08999999999999986	3.31000000000000005	3.4700000000000002	-1.1100000000000001	1.30000000000000004	1.81000000000000005	-7.38999999999999968	3.50999999999999994e-05	4.04999999999999987e-08	Poorly soluble	-9.9399999999999995	9.94999999999999976e-08	1.15000000000000004e-10	Poorly soluble	-5.51999999999999957	0.00263999999999999999	3.04000000000000012e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	-9.24000000000000021	3	3	1	1	5	0.170000000000000012
1863	1875.30999999999995	C82H58O52	\N	\N	1	Oc1cc(C(=O)O[C@@H]2O[C@@H]3COC(=O)c4cc(O)c(c(c4c4c(C(=O)O[C@H]3[C@@H]([C@H]2OC(=O)c2cc(O)c(c(c2)O)O)OC(=O)c2cc(O)c(c(c2)O)O)cc(O)c(c4O)O)O)O)c(c(c1O)O)Oc1cc2C(=O)OC[C@H]3O[C@@H](OC(=O)c4cc(O)c(c(c4)O)O)[C@H]([C@H]([C@@H]3OC(=O)c3c(c2c(c1O)O)c(O)c(c(c3)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O	134	60	0.149999999999999994	20	52	29	424.589999999999975	877.360000000000014	-0.220000000000000001	4.75999999999999979	3.72999999999999998	-6.70999999999999996	-4.03000000000000025	-0.489999999999999991	-13.4800000000000004	6.25000000000000039e-11	3.33000000000000007e-14	Insoluble	-22.9200000000000017	2.27999999999999986e-20	1.22000000000000007e-23	Insoluble	-3.62999999999999989	0.437	0.000232999999999999999	Soluble	Low	No	Yes	No	No	No	No	No	-14.3599999999999994	3	3	2	1	6	0.170000000000000012
1865	602.370000000000005	C28H10O16	\N	\N	1	Oc1cc2c(=O)oc3c(c2c(c1O)O)c1c(=O)oc2c4c1c(c3O)oc(=O)c4c1c(c2O)oc(=O)c2c1c(O)c(O)c(c2)O	44	32	0	0	16	8	150.5	282.680000000000007	0.75	1.90999999999999992	2.64999999999999991	-0.309999999999999998	2.66999999999999993	1.53000000000000003	-5.32000000000000028	0.00290999999999999983	4.83000000000000034e-06	Moderately soluble	-7.46999999999999975	2.04000000000000012e-05	3.38999999999999992e-08	Poorly soluble	-6.54000000000000004	0.000175999999999999995	2.92000000000000021e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-8.61999999999999922	3	2	1	1	5	0.170000000000000012
1866	788.57000000000005	C34H28O22	\N	\N	1	OC[C@H]1O[C@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O	56	24	0.179999999999999993	13	22	13	178.569999999999993	377.420000000000016	0.299999999999999989	1.53000000000000003	0.699999999999999956	-2.60000000000000009	-1.77000000000000002	-0.369999999999999996	-5.15000000000000036	0.00555000000000000025	7.04000000000000036e-06	Moderately soluble	-9.0600000000000005	6.78999999999999979e-07	8.62000000000000022e-10	Poorly soluble	-1.03000000000000003	73.2999999999999972	0.0928999999999999965	Soluble	Low	No	Yes	No	No	No	No	No	-10.0199999999999996	3	3	2	1	4	0.170000000000000012
1867	282.29000000000002	C17H14O4	\N	\N	1	COc1cc2OCc3c4c2c(c1)ccc4cc(c3OC)O	21	14	0.179999999999999993	2	4	1	81	47.9200000000000017	2.9700000000000002	3.54999999999999982	3.45999999999999996	1.94999999999999996	3.83000000000000007	3.14999999999999991	-4.19000000000000039	0.0183000000000000003	6.49000000000000054e-05	Moderately soluble	-4.24000000000000021	0.0161999999999999991	5.73999999999999993e-05	Moderately soluble	-5.44000000000000039	0.0010300000000000001	3.65000000000000021e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-5.5	0	0	0	0	0	0.550000000000000044
1868	406.379999999999995	C20H22O9	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(c(c3)O)O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O	29	12	0.299999999999999989	5	9	7	102.030000000000001	160.069999999999993	1.70999999999999996	0.729999999999999982	-0.0700000000000000067	-0.869999999999999996	0	0.299999999999999989	-2.79999999999999982	0.651000000000000023	0.00160000000000000008	Soluble	-3.66999999999999993	0.0868000000000000022	0.000213999999999999998	Soluble	-1.02000000000000002	39	0.0958999999999999991	Soluble	Low	No	No	No	No	No	No	No	-8.25999999999999979	1	0	1	1	2	0.550000000000000044
1869	284.310000000000002	C17H16O4	\N	\N	1	COc1cc(OC)c2c(c1)ccc1c2cc(O)c(c1)OC	21	14	0.179999999999999993	3	4	1	82.9500000000000028	47.9200000000000017	3.04999999999999982	3.97999999999999998	3.7200000000000002	2.35000000000000009	3.58000000000000007	3.33999999999999986	-4.41000000000000014	0.0111999999999999999	3.92999999999999998e-05	Moderately soluble	-4.69000000000000039	0.00583999999999999971	2.05000000000000002e-05	Moderately soluble	-5.54999999999999982	0.00079600000000000005	2.79999999999999987e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	No	-5.20999999999999996	0	0	0	0	0	0.550000000000000044
1870	244.289999999999992	C15H16O3	\N	\N	1	COc1cc(CCc2ccccc2O)cc(c1)O	18	12	0.200000000000000011	4	3	2	71.2399999999999949	49.6899999999999977	2.25999999999999979	3.39999999999999991	2.89000000000000012	2.58999999999999986	3.27000000000000002	2.87999999999999989	-3.72999999999999998	0.0459000000000000033	0.000187999999999999989	Soluble	-4.12000000000000011	0.0183999999999999997	7.54000000000000032e-05	Moderately soluble	-4.70999999999999996	0.00478999999999999999	1.95999999999999987e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	No	-5.37999999999999989	0	0	0	0	0	0.550000000000000044
1871	480.509999999999991	C30H24O6	\N	\N	1	COc1cc(O)c(c2c1c1ccc(cc1CC2)O)c1c(O)cc(c2c1ccc1c2ccc(c1)O)OC	36	26	0.130000000000000004	3	6	4	141.219999999999999	99.3799999999999955	3.5	6.49000000000000021	6.26999999999999957	3.18000000000000016	5.92999999999999972	5.07000000000000028	-7.24000000000000021	2.73999999999999985e-05	5.70000000000000009e-08	Poorly soluble	-8.36999999999999922	2.03999999999999995e-06	4.24000000000000025e-09	Poorly soluble	-9.13000000000000078	3.5400000000000002e-07	7.36000000000000043e-10	Poorly soluble	Low	No	No	Yes	Yes	No	No	No	-4.62000000000000011	0	3	0	1	1	0.550000000000000044
1872	680.700000000000045	C42H32O9	\N	\N	1	Oc1ccc(cc1)[C@@H]1c2c(O)cc(cc2[C@H]2[C@@H](Oc3c2c([C@H]2[C@H]1c1cc(O)cc(c1[C@H]2c1ccc(cc1)O)O)cc(c3)O)c1ccc(cc1)O)O	51	36	0.140000000000000013	3	9	8	189.879999999999995	171.069999999999993	2.14999999999999991	6.83999999999999986	7.42999999999999972	3.49000000000000021	5.11000000000000032	5	-8.6899999999999995	1.37999999999999992e-06	2.02000000000000006e-09	Poorly soluble	-10.2400000000000002	3.89999999999999985e-08	5.72999999999999986e-11	Insoluble	-9.98000000000000043	7.16000000000000059e-08	1.04999999999999999e-10	Poorly soluble	Low	No	Yes	No	No	No	No	No	-5.59999999999999964	2	4	1	2	5	0.170000000000000012
1875	680.700000000000045	C42H32O9	\N	\N	1	Oc1ccc(cc1)C1=C(c2cc(O)cc(c2)O)[C@H](c2ccc(cc2)O)c2c([C@H]3[C@H]1c1cc(O)cc(c1[C@H]3c1ccc(cc1)O)O)cc(cc2O)O	51	36	0.100000000000000006	4	9	9	193.280000000000001	182.069999999999993	2.14999999999999991	6.65000000000000036	7.80999999999999961	3.43000000000000016	5.25999999999999979	5.05999999999999961	-8.50999999999999979	2.11000000000000013e-06	3.10000000000000005e-09	Poorly soluble	-10.2799999999999994	3.6099999999999999e-08	5.29999999999999979e-11	Insoluble	-10.0999999999999996	5.38999999999999996e-08	7.93000000000000002e-11	Insoluble	Low	No	No	No	No	No	No	No	-5.73000000000000043	2	4	1	2	5	0.170000000000000012
1876	230.259999999999991	C14H14O3	\N	\N	1	Oc1cc(CCc2ccccc2O)cc(c1)O	17	12	0.140000000000000013	3	3	3	66.769999999999996	60.6899999999999977	1.64999999999999991	3.18000000000000016	2.58999999999999986	2.33999999999999986	2.75	2.5	-3.60000000000000009	0.0585000000000000034	0.000253999999999999994	Soluble	-4.12999999999999989	0.0172	7.49000000000000046e-05	Moderately soluble	-4.00999999999999979	0.0227000000000000014	9.85999999999999979e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.45000000000000018	0	0	0	0	0	0.550000000000000044
1877	214.259999999999991	C14H14O2	\N	\N	1	Oc1cc(CCc2ccccc2)cc(c1)O	16	12	0.140000000000000013	3	2	2	64.75	40.4600000000000009	2.0299999999999998	3.43000000000000016	2.87999999999999989	2.95000000000000018	3.25	2.91000000000000014	-3.68999999999999995	0.0441000000000000003	0.000205999999999999993	Soluble	-3.95999999999999996	0.0235000000000000001	0.000110000000000000004	Soluble	-4.58000000000000007	0.00562	2.61999999999999999e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	No	-5.16999999999999993	0	0	0	0	0	0.550000000000000044
1878	230.259999999999991	C14H14O3	\N	\N	1	Oc1ccc(cc1)CCc1cc(O)cc(c1)O	17	12	0.140000000000000013	3	3	3	66.769999999999996	60.6899999999999977	1.70999999999999996	3.06999999999999984	2.58999999999999986	2.33999999999999986	2.75	2.49000000000000021	-3.5299999999999998	0.0685999999999999943	0.000297999999999999979	Soluble	-4.00999999999999979	0.0223999999999999998	9.73999999999999958e-05	Moderately soluble	-4.00999999999999979	0.0227000000000000014	9.85999999999999979e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.51999999999999957	0	0	0	0	0	0.550000000000000044
1880	240.25	C15H12O3	\N	\N	1	Oc1cc2CCc3c4c2c(c1)OCc4cc(c3)O	18	12	0.200000000000000011	0	3	2	68.2800000000000011	49.6899999999999977	1.85000000000000009	2.68000000000000016	2.60000000000000009	2.20000000000000018	3.47999999999999998	2.56000000000000005	-3.50999999999999979	0.0739999999999999963	0.000308000000000000006	Soluble	-3.37999999999999989	0.101000000000000006	0.000420999999999999988	Soluble	-4.33000000000000007	0.0111000000000000005	4.63000000000000006e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-5.86000000000000032	0	0	0	0	0	0.550000000000000044
1881	298.379999999999995	C19H22O3	\N	\N	1	O[C@H](C(=C)C)Cc1c(O)cc(cc1O)CCc1ccccc1	22	12	0.260000000000000009	6	3	3	89.6299999999999955	60.6899999999999977	2.91000000000000014	4.30999999999999961	3.35999999999999988	3.20999999999999996	4.32000000000000028	3.62000000000000011	-4.41000000000000014	0.0114999999999999998	3.86000000000000031e-05	Moderately soluble	-5.29999999999999982	0.00150000000000000003	5.03000000000000012e-06	Moderately soluble	-5.28000000000000025	0.00158000000000000002	5.30000000000000008e-06	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.05999999999999961	0	0	0	0	0	0.550000000000000044
1882	454.470000000000027	C28H22O6	\N	\N	1	Oc1ccc(cc1)/C=C/C1=CC(=O)[C@H]2C(=O)[C@@H]1[C@H](c1cc(O)cc(c1)O)[C@H]2c1ccc(cc1)O	34	18	0.140000000000000013	4	6	4	127.75	115.060000000000002	1.91999999999999993	3.93000000000000016	4.30999999999999961	2.31999999999999984	3.99000000000000021	3.29000000000000004	-5.25999999999999979	0.00249000000000000003	5.48000000000000005e-06	Moderately soluble	-6.04999999999999982	0.000409000000000000021	8.99999999999999959e-07	Poorly soluble	-5.91999999999999993	0.000550000000000000033	1.21000000000000006e-06	Moderately soluble	High	No	No	No	No	Yes	No	No	-6.28000000000000025	0	0	0	0	0	0.550000000000000044
1883	256.25	C15H12O4	\N	\N	1	Oc1ccc(cc1)[C@H]1OC(=O)c2c(C1)cccc2O	19	12	0.130000000000000004	1	4	2	69.1099999999999994	66.7600000000000051	1.97999999999999998	3.18000000000000016	2.22999999999999998	2.08000000000000007	2.54999999999999982	2.39999999999999991	-3.83000000000000007	0.0376000000000000015	0.000146999999999999995	Soluble	-4.25	0.0143000000000000002	5.58000000000000011e-05	Moderately soluble	-4	0.0258	0.000101000000000000002	Soluble	High	Yes	No	Yes	No	No	No	No	-5.61000000000000032	0	0	0	0	0	0.550000000000000044
1884	283.360000000000014	C15H25NO4	\N	\N	1	CC([C@](C(=O)OCC1=CCN2[C@H]1CCC2)([C@@H](O)C)O)C	20	0	0.800000000000000044	6	5	2	79.9699999999999989	70	2.93000000000000016	0.540000000000000036	0.320000000000000007	0.880000000000000004	1.18999999999999995	1.16999999999999993	-1.54000000000000004	8.15000000000000036	0.0287999999999999992	Very soluble	-1.58000000000000007	7.42999999999999972	0.0262000000000000011	Very soluble	-0.92000000000000004	33.7999999999999972	0.118999999999999995	Soluble	High	No	No	No	No	No	No	No	-7.65000000000000036	0	0	0	0	0	0.550000000000000044
1885	338.399999999999977	C21H22O4	\N	\N	1	COc1cc(O)c(c(c1CC=C(C)C)/C=C/c1ccccc1)C(=O)O	25	12	0.190000000000000002	6	4	2	101.010000000000005	66.7600000000000051	3.16999999999999993	5.80999999999999961	4.55999999999999961	3.72999999999999998	4.78000000000000025	4.41000000000000014	-5.55999999999999961	0.000937000000000000007	2.77000000000000016e-06	Moderately soluble	-6.98000000000000043	3.52999999999999974e-05	1.04000000000000005e-07	Poorly soluble	-5.16999999999999993	0.00229999999999999996	6.79000000000000021e-06	Moderately soluble	High	Yes	No	Yes	No	Yes	No	No	-4.24000000000000021	0	0	0	0	1	0.560000000000000053
1887	420.410000000000025	C21H24O9	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(c(c3)OC)O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O	30	12	0.330000000000000016	6	9	6	106.5	149.069999999999993	1.98999999999999999	1.06000000000000005	0.239999999999999991	-0.650000000000000022	0.550000000000000044	0.640000000000000013	-3.00999999999999979	0.406999999999999973	0.000968000000000000002	Soluble	-3.7799999999999998	0.0695000000000000062	0.000164999999999999999	Soluble	-1.70999999999999996	8.24000000000000021	0.0195999999999999994	Soluble	Low	No	Yes	No	No	No	No	No	-8.10999999999999943	1	0	1	1	1	0.550000000000000044
1888	256.300000000000011	C16H16O3	\N	\N	1	COc1cc(OC)c2c(c1)CCc1c2c(O)ccc1	19	12	0.25	2	3	1	74.7000000000000028	38.6899999999999977	2.99000000000000021	3.43000000000000016	3.18000000000000016	2.45000000000000018	3.7200000000000002	3.14999999999999991	-3.93000000000000016	0.0303999999999999999	0.000119000000000000006	Soluble	-3.91999999999999993	0.0305999999999999987	0.000119000000000000006	Soluble	-5.15000000000000036	0.00180999999999999998	7.07999999999999998e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-5.42999999999999972	0	0	0	0	0	0.550000000000000044
1890	214.259999999999991	C14H14O2	\N	\N	1	Oc1ccc(cc1)CCc1cccc(c1)O	16	12	0.140000000000000013	3	2	2	64.75	40.4600000000000009	1.8899999999999999	3.45999999999999996	2.87999999999999989	2.95000000000000018	3.25	2.89000000000000012	-3.70999999999999996	0.0422000000000000014	0.000196999999999999991	Soluble	-3.99000000000000021	0.0218999999999999993	0.000101999999999999999	Soluble	-4.58000000000000007	0.00562	2.61999999999999999e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	No	-5.15000000000000036	0	0	0	0	0	0.550000000000000044
1891	440.490000000000009	C28H24O5	\N	\N	1	Oc1c(O)cc2cc1Oc1ccc(cc1)CCc1c(Oc3cc(CC2)ccc3)c(O)ccc1	33	24	0.140000000000000013	0	5	3	127.620000000000005	79.1500000000000057	3.54000000000000004	6.41999999999999993	6.26999999999999957	4.00999999999999979	4.95000000000000018	5.04000000000000004	-7.15000000000000036	3.08999999999999989e-05	7.02000000000000066e-08	Poorly soluble	-7.87999999999999989	5.8699999999999997e-06	1.33e-08	Poorly soluble	-8.69999999999999929	8.82999999999999953e-07	2.00000000000000012e-09	Poorly soluble	High	No	No	Yes	Yes	No	No	No	-4.42999999999999972	0	1	0	1	1	0.550000000000000044
1892	258.310000000000002	C16H18O3	\N	\N	1	COc1cccc(c1)CCc1cc(O)cc(c1)OC	19	12	0.25	5	3	1	75.7099999999999937	38.6899999999999977	2.83999999999999986	3.72999999999999998	3.18999999999999995	2.83999999999999986	3.79000000000000004	3.2799999999999998	-3.93000000000000016	0.0303999999999999999	0.000117999999999999995	Soluble	-4.23000000000000043	0.0151000000000000006	5.83000000000000009e-05	Moderately soluble	-5.41000000000000014	0.00101000000000000005	3.90999999999999983e-06	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	No	-5.23000000000000043	0	0	0	0	0	0.550000000000000044
1894	244.240000000000009	C14H12O4	\N	\N	1	Oc1ccc(c(c1)O)/C=C/c1cc(O)cc(c1)O	18	12	0	2	4	4	69.9000000000000057	80.9200000000000017	1.43999999999999995	2.77000000000000002	2.45999999999999996	1.66999999999999993	2.08000000000000007	2.08000000000000007	-3.45999999999999996	0.0845000000000000057	0.000346000000000000008	Soluble	-4.12000000000000011	0.0183000000000000003	7.49999999999999934e-05	Moderately soluble	-2.70999999999999996	0.474999999999999978	0.00194999999999999991	Soluble	High	No	No	Yes	No	Yes	No	Yes	-5.82000000000000028	0	0	0	0	0	0.550000000000000044
1895	286.279999999999973	C16H14O5	\N	\N	1	COc1ccc(cc1O)[C@@H]1OC(=O)c2c(C1)cccc2O	21	12	0.190000000000000002	2	5	2	75.5999999999999943	75.9899999999999949	2.5	3.14999999999999991	2.24000000000000021	1.77000000000000002	2.56999999999999984	2.43999999999999995	-3.89000000000000012	0.0369000000000000022	0.000128999999999999991	Soluble	-4.41999999999999993	0.0109999999999999994	3.83999999999999983e-05	Moderately soluble	-4.12000000000000011	0.0218999999999999993	7.66000000000000052e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-5.80999999999999961	0	0	0	0	0	0.550000000000000044
1896	390.379999999999995	C20H22O8	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(cc3)O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O	28	12	0.299999999999999989	5	8	6	100	139.840000000000003	1.83000000000000007	1.03000000000000003	0.23000000000000001	-0.359999999999999987	0.469999999999999973	0.640000000000000013	-2.89999999999999991	0.495999999999999996	0.00127000000000000008	Soluble	-3.56000000000000005	0.107999999999999999	0.000277999999999999981	Soluble	-1.6100000000000001	9.66999999999999993	0.0247999999999999991	Soluble	High	No	Yes	No	No	No	No	No	-7.95000000000000018	1	0	0	1	1	0.550000000000000044
1897	226.27000000000001	C15H14O2	\N	\N	1	COc1cc(/C=C/c2ccccc2)cc(c1)O	17	12	0.0700000000000000067	3	2	1	70.3299999999999983	29.4600000000000009	2.64999999999999991	3.81000000000000005	3.35000000000000009	3.12999999999999989	3.58000000000000007	3.29999999999999982	-3.9700000000000002	0.0244000000000000015	0.000107999999999999996	Soluble	-4.12000000000000011	0.0170000000000000012	7.51999999999999983e-05	Moderately soluble	-4.55999999999999961	0.00617000000000000014	2.72999999999999995e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	No	-4.98000000000000043	0	0	0	0	0	0.550000000000000044
1898	351.389999999999986	C18H25NO6	\N	\N	1	C/C=C/1\\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)[C@H](O)C3	25	0	0.67000000000000004	0	7	2	93.0900000000000034	96.2999999999999972	2.83999999999999986	0.110000000000000001	-0.220000000000000001	0.630000000000000004	0.569999999999999951	0.790000000000000036	-2.08999999999999986	2.87000000000000011	0.00817000000000000018	Soluble	-1.68999999999999995	7.20999999999999996	0.0205000000000000009	Very soluble	-1.17999999999999994	23.1999999999999993	0.066100000000000006	Soluble	High	No	Yes	No	No	No	No	No	-8.36999999999999922	0	0	0	0	0	0.550000000000000044
1899	237.289999999999992	C13H19NO3	\N	\N	1	C/C(=C/C)/C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)CO	17	0	0.619999999999999996	4	4	1	68.6899999999999977	49.7700000000000031	3.00999999999999979	1.28000000000000003	0.489999999999999991	1.10000000000000009	1.05000000000000004	1.3899999999999999	-1.85000000000000009	3.31999999999999984	0.0140000000000000003	Very soluble	-1.91999999999999993	2.81999999999999984	0.0119000000000000009	Very soluble	-0.839999999999999969	34.6000000000000014	0.145999999999999991	Soluble	High	Yes	No	No	No	No	No	No	-6.83999999999999986	0	0	0	0	0	0.550000000000000044
1901	559.690000000000055	C31H45NO8	\N	\N	1	OC[C@H]1O[C@@H](Oc2c(CC=C(C)C)cc(cc2CC=C(C)C)C(=O)OC[C@H]2CCN3[C@@H]2CCC3)[C@@H]([C@H]([C@@H]1O)O)O	40	6	0.650000000000000022	11	9	4	155.539999999999992	128.919999999999987	3.56000000000000005	4.45000000000000018	2.14000000000000012	1.73999999999999999	3.41000000000000014	3.06000000000000005	-5.5	0.0017799999999999999	3.17000000000000014e-06	Moderately soluble	-6.87999999999999989	7.4400000000000006e-05	1.33000000000000013e-07	Poorly soluble	-3.41999999999999993	0.214999999999999997	0.00038400000000000001	Soluble	High	No	Yes	No	No	No	No	Yes	-6.54999999999999982	1	3	1	0	0	0.550000000000000044
1902	282.379999999999995	C19H22O2	\N	\N	1	CC(=CCc1c(O)cc(cc1O)CCc1ccccc1)C	21	12	0.260000000000000009	5	2	2	88.4699999999999989	40.4600000000000009	3.35999999999999988	5.34999999999999964	4.38999999999999968	4.08999999999999986	4.92999999999999972	4.41999999999999993	-5.04999999999999982	0.00249000000000000003	8.83000000000000016e-06	Moderately soluble	-5.95000000000000018	0.000315000000000000013	1.12000000000000008e-06	Moderately soluble	-5.83999999999999986	0.000409000000000000021	1.45000000000000009e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-4.21999999999999975	0	0	0	0	1	0.550000000000000044
1903	405.439999999999998	C21H27NO7	\N	\N	1	C=CC1=C[C@@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C	29	0	0.520000000000000018	3	8	0	108.319999999999993	99.2099999999999937	3.02000000000000002	2.00999999999999979	0.979999999999999982	1.09000000000000008	2.0299999999999998	1.82000000000000006	-3.41999999999999993	0.152999999999999997	0.000378000000000000027	Soluble	-3.7200000000000002	0.0772000000000000047	0.00019000000000000001	Soluble	-2.89000000000000012	0.525000000000000022	0.00128999999999999991	Soluble	High	No	No	No	No	No	No	No	-7.34999999999999964	0	0	0	0	0	0.550000000000000044
1904	171.189999999999998	C8H13NO3	\N	\N	1	OCC1=CCN2[C@H]1[C@H](O)[C@@H](C2)O	12	0	0.75	1	4	3	46.1599999999999966	63.9299999999999997	1.14999999999999991	-2.27000000000000002	-2.06000000000000005	-0.979999999999999982	-0.969999999999999973	-1.03000000000000003	0.589999999999999969	673	3.93000000000000016	Highly soluble	1.45999999999999996	4960	29	Highly soluble	1.1100000000000001	2210	12.9000000000000004	Soluble	Low	No	No	No	No	No	No	No	-8.96000000000000085	0	1	0	0	2	0.550000000000000044
1905	296.360000000000014	C19H20O3	\N	\N	1	CC(=CCc1c(O)cc(cc1O)/C=C/c1ccc(cc1)O)C	22	12	0.160000000000000003	4	3	3	91.5999999999999943	60.6899999999999977	2.91000000000000014	5.04999999999999982	4.25999999999999979	3.39999999999999991	4.28000000000000025	3.97999999999999998	-5	0.00296999999999999998	1.00000000000000008e-05	Moderately soluble	-6.07000000000000028	0.000255000000000000018	8.58999999999999949e-07	Poorly soluble	-4.54000000000000004	0.00856999999999999949	2.89000000000000011e-05	Moderately soluble	High	Yes	No	Yes	No	Yes	Yes	Yes	-4.51999999999999957	0	0	0	0	1	0.550000000000000044
1906	459.920000000000016	C21H30ClNO8	\N	\N	1	CN1CC[C@H]2OC(=O)[C@](O)(C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)[C@H](Cl)C	31	0	0.709999999999999964	3	9	1	115.260000000000005	119.439999999999998	3.2799999999999998	1.48999999999999999	0.609999999999999987	0.689999999999999947	1.90999999999999992	1.60000000000000009	-3.43000000000000016	0.170000000000000012	0.000369999999999999995	Soluble	-3.60999999999999988	0.114000000000000004	0.000248000000000000011	Soluble	-3.10000000000000009	0.361999999999999988	0.000787000000000000048	Soluble	High	No	Yes	No	No	No	No	No	-8.05000000000000071	0	0	0	0	0	0.550000000000000044
1907	256.300000000000011	C16H16O3	\N	\N	1	COc1cc(/C=C/c2ccc(cc2)O)cc(c1)OC	19	12	0.119999999999999996	4	3	1	76.8199999999999932	38.6899999999999977	3.02000000000000002	3.7799999999999998	3.35999999999999988	2.75999999999999979	3.60999999999999988	3.31000000000000005	-4.00999999999999979	0.0247999999999999991	9.68999999999999972e-05	Moderately soluble	-4.29000000000000004	0.0132999999999999993	5.17000000000000031e-05	Moderately soluble	-4.69000000000000039	0.00523999999999999987	2.05000000000000002e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	No	-5.17999999999999972	0	0	0	0	0	0.550000000000000044
1908	420.410000000000025	C21H24O9	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(c(c3)O)OC)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O	30	12	0.330000000000000016	6	9	6	106.5	149.069999999999993	2.50999999999999979	0.520000000000000018	0.239999999999999991	-0.650000000000000022	0.550000000000000044	0.630000000000000004	-2.66999999999999993	0.890000000000000013	0.00211999999999999992	Soluble	-3.2200000000000002	0.253000000000000003	0.000600999999999999972	Soluble	-1.70999999999999996	8.24000000000000021	0.0195999999999999994	Soluble	Low	No	Yes	No	No	No	No	No	-8.5	1	0	1	1	1	0.550000000000000044
1909	454.470000000000027	C28H22O6	\N	\N	1	Oc1ccc(cc1)/C=C/c1cc(O)cc2c1[C@@H](c1cc(O)cc(c1)O)[C@@H](O2)c1ccc(cc1)O	34	24	0.0700000000000000067	4	6	5	130.240000000000009	110.379999999999995	2.50999999999999979	5.40000000000000036	5.11000000000000032	2.85999999999999988	4.45999999999999996	4.07000000000000028	-6.32000000000000028	0.000218000000000000013	4.81000000000000032e-07	Poorly soluble	-7.46999999999999975	1.52999999999999992e-05	3.36999999999999974e-08	Poorly soluble	-6.87000000000000011	6.20000000000000027e-05	1.36e-07	Poorly soluble	High	No	No	No	No	Yes	No	No	-5.24000000000000021	0	1	0	0	1	0.550000000000000044
1910	254.240000000000009	C15H10O4	\N	\N	1	COc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1	19	12	0.0700000000000000067	1	4	1	68.2600000000000051	63.6000000000000014	2.12000000000000011	3.0299999999999998	2.18000000000000016	0.92000000000000004	3.06000000000000005	2.25999999999999979	-3.72999999999999998	0.0476999999999999993	0.000187999999999999989	Soluble	-4.03000000000000025	0.0236999999999999988	9.30999999999999997e-05	Moderately soluble	-4.79999999999999982	0.00402999999999999973	1.58000000000000012e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-5.70000000000000018	0	0	0	0	0	0.550000000000000044
1911	270.240000000000009	C15H10O5	\N	\N	1	OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1	20	12	0.0700000000000000067	1	5	3	69.9200000000000017	94.8299999999999983	1.94999999999999996	1.82000000000000006	1.20999999999999996	0.100000000000000006	2.41999999999999993	1.5	-3.04000000000000004	0.245999999999999996	0.00091200000000000005	Soluble	-3.43000000000000016	0.100000000000000006	0.000369999999999999995	Soluble	-3.91999999999999993	0.0321999999999999995	0.000119000000000000006	Soluble	High	No	No	Yes	No	No	No	Yes	-6.66000000000000014	0	0	0	0	0	0.550000000000000044
1912	256.20999999999998	C14H8O5	\N	\N	1	O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O	19	12	0	0	5	3	65.8199999999999932	94.8299999999999983	1.62999999999999989	2.35000000000000009	1.58000000000000007	0.110000000000000001	2.04999999999999982	1.54000000000000004	-3.37999999999999989	0.107999999999999999	0.000420000000000000017	Soluble	-3.97999999999999998	0.0268000000000000009	0.000103999999999999994	Soluble	-3.52000000000000002	0.076999999999999999	0.000300999999999999998	Soluble	High	No	No	No	No	No	No	Yes	-6.19000000000000039	0	0	0	0	0	0.550000000000000044
1913	397.45999999999998	C20H31NO7	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@@H](O)C)O)/C	28	0	0.699999999999999956	9	8	3	106.019999999999996	116.530000000000001	2.66000000000000014	0.739999999999999991	-0.0800000000000000017	0.299999999999999989	1	0.92000000000000004	-2.18000000000000016	2.64999999999999991	0.00666000000000000012	Soluble	-2.77000000000000002	0.68100000000000005	0.00170999999999999993	Soluble	-0.599999999999999978	99.7999999999999972	0.251000000000000001	Soluble	High	No	Yes	No	No	No	No	No	-8.19999999999999929	0	0	0	0	0	0.550000000000000044
1914	329.389999999999986	C16H27NO6	\N	\N	1	CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)O)C	23	0	0.810000000000000053	7	7	3	87.0699999999999932	99.4599999999999937	2.64999999999999991	-0.489999999999999991	-0.939999999999999947	-0.479999999999999982	0.119999999999999996	0.170000000000000012	-1.1100000000000001	25.5	0.0773999999999999966	Very soluble	-1.12999999999999989	24.3000000000000007	0.0738999999999999935	Very soluble	-0.220000000000000001	197	0.596999999999999975	Soluble	High	No	Yes	No	No	No	No	No	-8.66000000000000014	0	1	0	0	0	0.550000000000000044
1915	492.430000000000007	C23H24O12	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(C)c(c(c4C(=O)c3c(c2OC)O)OC)O)[C@@H]([C@H]([C@@H]1O)O)O	35	12	0.390000000000000013	5	12	6	115.890000000000001	192.439999999999998	2.2200000000000002	0.859999999999999987	-0.619999999999999996	-2.31000000000000005	0.599999999999999978	0.149999999999999994	-3.35999999999999988	0.215999999999999998	0.000438000000000000021	Soluble	-4.48000000000000043	0.0160999999999999997	3.2700000000000002e-05	Moderately soluble	-2.39000000000000012	2.02000000000000002	0.00408999999999999989	Soluble	Low	No	Yes	No	No	No	No	No	-8.6899999999999995	2	2	1	1	3	0.170000000000000012
1917	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	1.39999999999999991	-0.119999999999999996	-1.04000000000000004	-1.59000000000000008	0.179999999999999993	-0.239999999999999991	-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
1918	382.319999999999993	C20H14O8	\N	\N	1	COc1cc(C)c2c(c1)oc1c(c2=O)c(O)c2c(c1O)C(=O)C(=CC2=O)OC	28	14	0.149999999999999994	2	8	2	99.1899999999999977	123.269999999999996	2.5299999999999998	3.39999999999999991	2.58000000000000007	-0.599999999999999978	3.37999999999999989	2.25999999999999979	-4.58999999999999986	0.0098200000000000006	2.57000000000000013e-05	Moderately soluble	-5.66999999999999993	0.000821000000000000007	2.15000000000000017e-06	Moderately soluble	-5.34999999999999964	0.0016900000000000001	4.42999999999999994e-06	Moderately soluble	High	No	No	No	No	Yes	No	Yes	-6.21999999999999975	0	0	0	0	0	0.560000000000000053
1919	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	1.48999999999999999	-1.92999999999999994	-3.56999999999999984	-3.70999999999999996	-1.91999999999999993	-1.92999999999999994	-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
1920	506.45999999999998	C30H18O8	\N	\N	1	Cc1cc2c(c(c1c1c(C)cc3c(c1O)C(=O)c1c(C3=O)cccc1O)O)C(=O)c1c(C2=O)cccc1O	38	24	0.0700000000000000067	1	8	4	136.52000000000001	149.199999999999989	3.18000000000000016	5.84999999999999964	4.33999999999999986	0.92000000000000004	5.79999999999999982	4.01999999999999957	-7.07000000000000028	4.33999999999999978e-05	8.57000000000000064e-08	Poorly soluble	-8.75	8.89999999999999949e-07	1.75999999999999992e-09	Poorly soluble	-8.89000000000000057	6.44999999999999966e-07	1.26999999999999996e-09	Poorly soluble	Low	No	No	No	Yes	Yes	No	No	-5.24000000000000021	1	2	1	1	1	0.550000000000000044
1921	304.680000000000007	C15H9ClO5	\N	\N	1	Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)Cl	21	12	0.0700000000000000067	0	5	3	75.7900000000000063	94.8299999999999983	2.08999999999999986	3.35000000000000009	2.54000000000000004	0.880000000000000004	3.18999999999999995	2.41000000000000014	-4.25999999999999979	0.0166999999999999996	5.47000000000000014e-05	Moderately soluble	-5.01999999999999957	0.00291999999999999985	9.56999999999999985e-06	Moderately soluble	-4.50999999999999979	0.00944000000000000047	3.10000000000000014e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.78000000000000025	0	0	0	0	0	0.550000000000000044
1922	240.210000000000008	C14H8O4	\N	\N	1	Oc1cccc2c1C(=O)c1c(C2=O)cccc1O	18	12	0	0	4	2	63.7999999999999972	74.5999999999999943	1.95999999999999996	3.16000000000000014	1.87000000000000011	0.67000000000000004	2.54999999999999982	2.04000000000000004	-3.81000000000000005	0.0369000000000000022	0.000154000000000000003	Soluble	-4.40000000000000036	0.00962999999999999967	4.00999999999999989e-05	Moderately soluble	-4.09999999999999964	0.0190999999999999989	7.94000000000000055e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-5.51999999999999957	0	0	0	0	0	0.550000000000000044
1923	520.480000000000018	C25H28O12	\N	\N	1	OC[C@H]1O[C@@H](Oc2c(C)cc3c(c2OC)C(=O)c2c(C3=O)cc(c(c2OC)OC)OC)[C@@H]([C@H]([C@@H]1O)O)O	37	12	0.440000000000000002	7	12	4	124.829999999999998	170.439999999999998	2.60999999999999988	0.959999999999999964	-0.0200000000000000004	-1.8899999999999999	1.70999999999999996	0.67000000000000004	-3.45000000000000018	0.184999999999999998	0.00035500000000000001	Soluble	-4.12999999999999989	0.0388999999999999971	7.46999999999999997e-05	Moderately soluble	-3.75999999999999979	0.0902000000000000024	0.000173000000000000004	Soluble	Low	No	Yes	No	No	No	No	No	-8.78999999999999915	2	1	1	1	2	0.170000000000000012
1925	254.240000000000009	C15H10O4	\N	\N	1	Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1	19	12	0.0700000000000000067	0	4	2	68.7600000000000051	74.5999999999999943	2.2200000000000002	3.5299999999999998	2.18000000000000016	0.92000000000000004	3.04000000000000004	2.37999999999999989	-4.11000000000000032	0.0198000000000000016	7.8100000000000001e-05	Moderately soluble	-4.78000000000000025	0.0042100000000000002	1.66000000000000003e-05	Moderately soluble	-4.49000000000000021	0.00831999999999999927	3.2700000000000002e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-5.33999999999999986	0	0	0	0	0	0.550000000000000044
1926	416.379999999999995	C21H20O9	\N	\N	1	OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cc(cc2O)C)[C@@H]([C@H]([C@@H]1O)O)O	30	12	0.330000000000000016	3	9	5	100.879999999999995	153.75	1.68999999999999995	1.27000000000000002	-0.349999999999999978	-1.26000000000000001	0.92000000000000004	0.450000000000000011	-3.31999999999999984	0.19900000000000001	0.000478999999999999988	Soluble	-4.09999999999999964	0.0332000000000000003	7.98000000000000017e-05	Moderately soluble	-2.79000000000000004	0.683000000000000052	0.00163999999999999996	Soluble	Low	No	Yes	No	No	No	No	No	-7.94000000000000039	0	0	1	1	1	0.550000000000000044
1927	397.45999999999998	C20H31NO7	\N	\N	1	C/C=C(\\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](O)C)O)/C	28	0	0.699999999999999956	9	8	3	106.019999999999996	116.530000000000001	2.95000000000000018	0.739999999999999991	-0.0800000000000000017	0.299999999999999989	1	0.979999999999999982	-2.18000000000000016	2.64999999999999991	0.00666000000000000012	Soluble	-2.77000000000000002	0.68100000000000005	0.00170999999999999993	Soluble	-0.599999999999999978	99.7999999999999972	0.251000000000000001	Soluble	High	No	Yes	No	No	No	No	No	-8.19999999999999929	0	0	0	0	0	0.550000000000000044
1928	155.189999999999998	C8H13NO2	\N	\N	1	OCC1=CCN2[C@H]1[C@@H](O)CC2	11	0	0.75	1	3	2	45	43.7000000000000028	1.3600000000000001	-1.29000000000000004	-1.03000000000000003	-0.119999999999999996	-0.0599999999999999978	-0.23000000000000001	0.0800000000000000017	185	1.18999999999999995	Highly soluble	0.869999999999999996	1150	7.41000000000000014	Highly soluble	0.320000000000000007	321	2.06999999999999984	Soluble	High	No	No	No	No	No	No	No	-8.16000000000000014	0	2	0	0	1	0.550000000000000044
1929	313.389999999999986	C16H27NO5	\N	\N	1	CO[C@@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)(C(C)C)O)C	22	0	0.810000000000000053	7	6	2	85.8700000000000045	79.230000000000004	2.81000000000000005	0.910000000000000031	-0.0500000000000000028	0.320000000000000007	0.859999999999999987	0.969999999999999973	-1.8899999999999999	4	0.0128000000000000006	Very soluble	-2.16000000000000014	2.16999999999999993	0.0069300000000000004	Soluble	-0.810000000000000053	48.7999999999999972	0.156	Soluble	High	No	No	No	No	No	No	No	-7.57000000000000028	0	0	0	0	0	0.550000000000000044
1931	299.360000000000014	C15H25NO5	\N	\N	1	O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@]([C@@H](O)C)(C(C)C)O	21	0	0.800000000000000044	6	6	3	81.1400000000000006	90.230000000000004	3.54000000000000004	-0.440000000000000002	-0.709999999999999964	0.0700000000000000067	0.320000000000000007	0.560000000000000053	-1.02000000000000002	28.3999999999999986	0.0948999999999999982	Very soluble	-0.989999999999999991	30.6999999999999993	0.101999999999999993	Very soluble	-0.110000000000000001	231	0.77300000000000002	Soluble	High	No	Yes	No	No	No	No	No	-8.4399999999999995	0	1	0	0	0	0.550000000000000044
1932	254.240000000000009	C15H10O4	\N	\N	1	OCc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1	19	12	0.0700000000000000067	1	4	2	67.9000000000000057	74.5999999999999943	1.90999999999999992	2.62999999999999989	1.51000000000000001	0.660000000000000031	2.91000000000000014	1.91999999999999993	-3.4700000000000002	0.0853000000000000008	0.000335000000000000011	Soluble	-3.85000000000000009	0.036200000000000003	0.000142000000000000009	Soluble	-4.5	0.00800000000000000017	3.15e-05	Moderately soluble	High	No	No	Yes	No	No	No	Yes	-5.98000000000000043	0	0	0	0	0	0.550000000000000044
1933	335.389999999999986	C18H25NO5	\N	\N	1	C/C=C/1\\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	24	0	0.67000000000000004	0	6	1	91.9300000000000068	76.0699999999999932	2.95000000000000018	1.08000000000000007	0.810000000000000053	1.42999999999999994	1.45999999999999996	1.55000000000000004	-2.60000000000000009	0.842999999999999972	0.00251000000000000008	Soluble	-2.27000000000000002	1.80000000000000004	0.00538000000000000023	Soluble	-2	3.39000000000000012	0.0100999999999999996	Soluble	High	No	No	No	No	No	No	No	-7.58000000000000007	0	0	0	0	0	0.550000000000000044
1934	254.240000000000009	C15H10O4	\N	\N	1	Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O	19	12	0.0700000000000000067	0	4	2	68.7600000000000051	74.5999999999999943	2.24000000000000021	3.62000000000000011	2.18000000000000016	0.92000000000000004	3.04000000000000004	2.39999999999999991	-4.16000000000000014	0.0173999999999999988	6.84999999999999981e-05	Moderately soluble	-4.87000000000000011	0.00339999999999999981	1.34000000000000005e-05	Moderately soluble	-4.49000000000000021	0.00831999999999999927	3.2700000000000002e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-5.28000000000000025	0	0	0	0	0	0.550000000000000044
1935	299.360000000000014	C15H25NO5	\N	\N	1	O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O	21	0	0.800000000000000044	6	6	3	81.1400000000000006	90.230000000000004	2.43000000000000016	-0.440000000000000002	-0.709999999999999964	0.0700000000000000067	0.320000000000000007	0.330000000000000016	-1.02000000000000002	28.3999999999999986	0.0948999999999999982	Very soluble	-0.989999999999999991	30.6999999999999993	0.101999999999999993	Very soluble	-0.110000000000000001	231	0.77300000000000002	Soluble	High	No	Yes	No	No	No	No	No	-8.4399999999999995	0	1	0	0	0	0.550000000000000044
1936	372.279999999999973	C18H12O9	\N	\N	1	O[C@@H]1O[C@H]2[C@](C1)(O)c1c(O2)cc2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O	27	12	0.220000000000000001	0	9	5	85.9500000000000028	153.75	1.85000000000000009	1.25	0.119999999999999996	-1.01000000000000001	0.819999999999999951	0.609999999999999987	-3.25999999999999979	0.202000000000000013	0.000543999999999999996	Soluble	-4.08000000000000007	0.0311999999999999986	8.37000000000000016e-05	Moderately soluble	-2.41999999999999993	1.39999999999999991	0.00376999999999999991	Soluble	Low	No	No	No	No	No	No	No	-7.67999999999999972	0	0	1	1	1	0.550000000000000044
1938	299.360000000000014	C15H25NO5	\N	\N	1	OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)[C@]([C@H](O)C)(C(C)C)O	21	0	0.800000000000000044	6	6	3	81.1400000000000006	90.230000000000004	2.20000000000000018	-0.440000000000000002	-0.709999999999999964	0.0700000000000000067	0.320000000000000007	0.28999999999999998	-1.02000000000000002	28.3999999999999986	0.0948999999999999982	Very soluble	-0.989999999999999991	30.6999999999999993	0.101999999999999993	Very soluble	-0.110000000000000001	231	0.77300000000000002	Soluble	High	No	Yes	No	No	No	No	No	-8.4399999999999995	0	1	0	0	0	0.550000000000000044
1939	351.389999999999986	C18H25NO6	\N	\N	1	O=C1OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@]2(C[C@H]([C@@]1(C)O)C)O[C@H]2C	25	0	0.780000000000000027	0	7	1	91.4099999999999966	88.5999999999999943	2.81000000000000005	0.299999999999999989	0.0200000000000000004	0.719999999999999973	1.06000000000000005	0.979999999999999982	-2.20999999999999996	2.18000000000000016	0.00619999999999999978	Soluble	-1.71999999999999997	6.65000000000000036	0.0189000000000000001	Very soluble	-1.72999999999999998	6.59999999999999964	0.0188000000000000007	Soluble	High	No	Yes	No	No	No	No	No	-8.23000000000000043	0	0	0	0	0	0.550000000000000044
1940	411.490000000000009	C21H33NO7	\N	\N	1	CO[C@@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\\C)/C)O)C	29	0	0.709999999999999964	10	8	2	110.75	105.530000000000001	3.93999999999999995	1.28000000000000003	0.57999999999999996	0.520000000000000018	1.56000000000000005	1.58000000000000007	-2.54000000000000004	1.18999999999999995	0.0028999999999999998	Soluble	-3.10000000000000009	0.330000000000000016	0.000801999999999999979	Soluble	-1.29000000000000004	21.1000000000000014	0.0512000000000000025	Soluble	High	No	Yes	No	No	No	No	No	-7.90000000000000036	0	0	0	0	0	0.550000000000000044
1941	270.240000000000009	C15H10O5	\N	\N	1	Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O	20	12	0.0700000000000000067	0	5	3	70.7800000000000011	94.8299999999999983	1.81000000000000005	2.7200000000000002	1.8899999999999999	0.359999999999999987	2.54999999999999982	1.87000000000000011	-3.66999999999999993	0.0573999999999999996	0.000212000000000000003	Soluble	-4.37000000000000011	0.0117000000000000003	4.30999999999999973e-05	Moderately soluble	-3.91000000000000014	0.0335999999999999979	0.000124000000000000005	Soluble	High	No	No	Yes	No	No	No	Yes	-6.01999999999999957	0	0	0	0	0	0.550000000000000044
1942	393.430000000000007	C20H27NO7	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]1(O)[C@@H](C)OC(=O)[C@H]1C)/C	28	0	0.650000000000000022	7	8	1	102.829999999999998	102.370000000000005	2.97999999999999998	0.859999999999999987	0.349999999999999978	1.02000000000000002	1.3899999999999999	1.32000000000000006	-2.35999999999999988	1.71999999999999997	0.00436999999999999975	Soluble	-2.58999999999999986	1	0.00255000000000000018	Soluble	-1.48999999999999999	12.8000000000000007	0.032599999999999997	Soluble	High	No	No	No	No	No	No	No	-8.08999999999999986	0	0	0	0	0	0.550000000000000044
1943	432.379999999999995	C21H20O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2C(=O)c2c(C3=O)cc(cc2O)C)[C@@H]([C@H]([C@@H]1O)O)O	31	12	0.330000000000000016	3	10	6	102.909999999999997	173.97999999999999	1.96999999999999997	0.910000000000000031	-0.640000000000000013	-1.77000000000000002	0.450000000000000011	0.179999999999999993	-3.18000000000000016	0.283999999999999975	0.000657000000000000032	Soluble	-4.15000000000000036	0.0307000000000000016	7.09000000000000022e-05	Moderately soluble	-2.18999999999999995	2.75999999999999979	0.00638000000000000025	Soluble	Low	No	Yes	No	No	No	No	No	-8.28999999999999915	1	1	1	1	2	0.550000000000000044
1945	299.360000000000014	C15H25NO5	\N	\N	1	O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O	21	0	0.800000000000000044	6	6	3	81.1400000000000006	90.230000000000004	2.41000000000000014	-0.440000000000000002	-0.709999999999999964	0.0700000000000000067	0.320000000000000007	0.330000000000000016	-1.02000000000000002	28.3999999999999986	0.0948999999999999982	Very soluble	-0.989999999999999991	30.6999999999999993	0.101999999999999993	Very soluble	-0.110000000000000001	231	0.77300000000000002	Soluble	High	No	Yes	No	No	No	No	No	-8.4399999999999995	0	1	0	0	0	0.550000000000000044
1946	239.310000000000002	C13H21NO3	\N	\N	1	C/C=C(\\C(=O)OC[C@H]1[C@@H](O)CN2[C@@H]1CCC2)/C	17	0	0.770000000000000018	4	4	1	69.1599999999999966	49.7700000000000031	2.81000000000000005	1.32000000000000006	0.569999999999999951	1.18999999999999995	1.06000000000000005	1.3899999999999999	-1.8899999999999999	3.06999999999999984	0.0128000000000000006	Very soluble	-1.96999999999999997	2.58999999999999986	0.0108000000000000006	Very soluble	-0.849999999999999978	33.5	0.140000000000000013	Soluble	High	Yes	No	No	No	No	No	No	-6.82000000000000028	0	0	0	0	0	0.550000000000000044
1947	402.350000000000023	C20H18O9	\N	\N	1	OC[C@@]1(O)CO[C@H]([C@@H]1O)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C	29	12	0.299999999999999989	3	9	5	96.980000000000004	153.75	2.2799999999999998	1.28000000000000003	0	-1.21999999999999997	1.48999999999999999	0.770000000000000018	-3.25	0.227000000000000007	0.000563000000000000024	Soluble	-4.11000000000000032	0.0313999999999999974	7.78999999999999962e-05	Moderately soluble	-3.20000000000000018	0.255000000000000004	0.000634000000000000015	Soluble	Low	No	Yes	No	No	No	No	No	-7.84999999999999964	0	0	1	1	1	0.550000000000000044
1948	325.360000000000014	C16H23NO6	\N	\N	1	O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O	23	0	0.75	0	7	2	83.9899999999999949	96.2999999999999972	2.47999999999999998	-0.729999999999999982	-0.770000000000000018	0.239999999999999991	0.239999999999999991	0.28999999999999998	-1.39999999999999991	13	0.0400999999999999968	Very soluble	-0.819999999999999951	49.7000000000000028	0.152999999999999997	Very soluble	-1.1100000000000001	25.5	0.0782999999999999946	Soluble	High	No	Yes	No	No	No	No	No	-8.80000000000000071	0	1	0	0	0	0.550000000000000044
1949	337.410000000000025	C18H27NO5	\N	\N	1	O=C1O[C@@H]2CCN3[C@@H]2[C@H](CC3)COC(=O)[C@@]2(O[C@](C1)(C)C[C@H]2C)C	24	0	0.890000000000000013	0	6	0	90.730000000000004	65.0699999999999932	2.91000000000000014	1.68999999999999995	1.12999999999999989	1.6100000000000001	1.71999999999999997	1.81000000000000005	-3	0.340000000000000024	0.00101000000000000005	Soluble	-2.66999999999999993	0.718999999999999972	0.00212999999999999995	Soluble	-2.56000000000000005	0.93100000000000005	0.00275999999999999987	Soluble	High	Yes	No	No	No	No	No	No	-7.16000000000000014	0	0	0	0	0	0.550000000000000044
1950	238.240000000000009	C15H10O3	\N	\N	1	OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1	18	12	0.0700000000000000067	1	3	1	65.8799999999999955	54.3699999999999974	1.94999999999999996	2.68999999999999995	1.80000000000000004	1.23999999999999999	3.39999999999999991	2.2200000000000002	-3.43999999999999995	0.0866999999999999993	0.000364000000000000011	Soluble	-3.47999999999999998	0.0781000000000000028	0.000328000000000000004	Soluble	-5.08000000000000007	0.00199000000000000002	8.33999999999999977e-06	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-5.83999999999999986	0	0	0	0	0	0.550000000000000044
1952	439.5	C22H33NO8	\N	\N	1	O=C1O[C@H](C)[C@@](O)(C(C)C)C(=O)OCC2=CCN3[C@H]2[C@H](OC(=O)[C@@](C1)(O)C(C)C)CC3	31	0	0.770000000000000018	2	9	2	114.120000000000005	122.599999999999994	3.25	0.949999999999999956	0.179999999999999993	0.770000000000000018	1.23999999999999999	1.28000000000000003	-3.0299999999999998	0.408999999999999975	0.000930000000000000054	Soluble	-3.10999999999999988	0.340000000000000024	0.000773000000000000033	Soluble	-2.08000000000000007	3.70000000000000018	0.00841000000000000081	Soluble	High	No	Yes	No	No	No	No	No	-8.3100000000000005	0	0	0	0	0	0.550000000000000044
1953	381.420000000000016	C19H27NO7	\N	\N	1	CN1CC[C@H]2OC(=O)[C@@]3(O[C@@H]3C)C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)O)C	27	0	0.739999999999999991	0	8	1	98.5300000000000011	105.670000000000002	2.33999999999999986	0.630000000000000004	-0.160000000000000003	0.0700000000000000067	1.26000000000000001	0.82999999999999996	-2.60000000000000009	0.953999999999999959	0.00250000000000000005	Soluble	-2.41999999999999993	1.43999999999999995	0.00376999999999999991	Soluble	-2.2200000000000002	2.31000000000000005	0.00606999999999999987	Soluble	High	No	Yes	No	No	No	No	No	-8.17999999999999972	0	0	0	0	0	0.550000000000000044
1954	338.350000000000023	C20H18O5	\N	\N	1	CC(=CCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)C)C	25	12	0.200000000000000011	2	5	3	94.5	94.8299999999999983	2.47999999999999998	4.63999999999999968	3.39999999999999991	1.47999999999999998	4.28000000000000025	3.25	-5.08000000000000007	0.00278999999999999995	8.24000000000000073e-06	Moderately soluble	-6.36000000000000032	0.00014899999999999999	4.39e-07	Poorly soluble	-5.13999999999999968	0.00242999999999999987	7.18999999999999977e-06	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-5.07000000000000028	0	0	0	0	0	0.550000000000000044
1955	361.430000000000007	C20H27NO5	\N	\N	1	COC(=O)C[C@@](C(=O)OC[C@H]1CCN2[C@H]1CCC2)(Cc1ccccc1)O	26	6	0.599999999999999978	9	6	1	100.25	76.0699999999999932	2.9700000000000002	2.08000000000000007	1.16999999999999993	1.80000000000000004	2.41999999999999993	2.08999999999999986	-2.9700000000000002	0.389000000000000012	0.00108000000000000001	Soluble	-3.31000000000000005	0.177999999999999992	0.000492999999999999949	Soluble	-3.62000000000000011	0.0870999999999999969	0.000241000000000000003	Soluble	High	No	No	No	No	No	No	No	-7.03000000000000025	0	0	0	0	0	0.550000000000000044
1980	139.189999999999998	C8H13NO	\N	\N	1	OCC1=CCN2[C@H]1CCC2	10	0	0.75	1	2	1	43.8400000000000034	23.4699999999999989	1.45999999999999996	-0.320000000000000007	0	0.760000000000000009	0.880000000000000004	0.560000000000000053	-0.440000000000000002	51.1000000000000014	0.366999999999999993	Very soluble	0.28999999999999998	270	1.93999999999999995	Highly soluble	-0.479999999999999982	46.2999999999999972	0.333000000000000018	Soluble	High	No	No	No	No	No	No	No	-7.37999999999999989	0	1	0	0	1	0.550000000000000044
1956	337.410000000000025	C18H27NO5	\N	\N	1	C/C=C\\1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](OC1=O)CCN3CC2	24	0	0.780000000000000027	0	6	1	92.4000000000000057	76.0699999999999932	2.77000000000000002	1.92999999999999994	0.890000000000000013	1.52000000000000002	1.46999999999999997	1.71999999999999997	-3.14999999999999991	0.239999999999999991	0.000711000000000000043	Soluble	-3.14999999999999991	0.237999999999999989	0.00070600000000000003	Soluble	-2.00999999999999979	3.27000000000000002	0.00970999999999999988	Soluble	High	No	No	No	No	No	No	No	-6.99000000000000021	0	0	0	0	0	0.550000000000000044
1957	351.389999999999986	C18H25NO6	\N	\N	1	C/C=C/1\\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	25	0	0.67000000000000004	1	7	2	93.0900000000000034	96.2999999999999972	2.45000000000000018	0.589999999999999969	-0.220000000000000001	0.630000000000000004	0.849999999999999978	0.859999999999999987	-2.31999999999999984	1.66999999999999993	0.00474000000000000029	Soluble	-2.18999999999999995	2.29000000000000004	0.00651999999999999975	Soluble	-1.42999999999999994	13.0999999999999996	0.0372999999999999998	Soluble	High	No	Yes	No	No	No	No	No	-8.01999999999999957	0	0	0	0	0	0.550000000000000044
1958	434.389999999999986	C24H18O8	\N	\N	1	COc1cc(O)c(c(c1C(=O)C)O)c1c(C)cc(c2c1C(=O)c1cccc(c1C2=O)O)O	32	18	0.119999999999999996	3	8	4	114.930000000000007	141.360000000000014	2.25999999999999979	4.20000000000000018	3.4700000000000002	0.260000000000000009	4.20000000000000018	2.87999999999999989	-5.40000000000000036	0.00174000000000000001	3.99999999999999982e-06	Moderately soluble	-6.87999999999999989	5.75000000000000017e-05	1.31999999999999991e-07	Poorly soluble	-6.20000000000000018	0.000273000000000000022	6.27999999999999959e-07	Poorly soluble	Low	No	No	No	No	Yes	No	Yes	-5.96999999999999975	0	0	1	1	0	0.550000000000000044
1960	174.150000000000006	C10H6O3	\N	\N	1	O=C1C=C(O)c2c(C1=O)cccc2	13	6	0	0	3	1	46.3900000000000006	54.3699999999999974	0.82999999999999996	0.849999999999999978	1.35000000000000009	0.0299999999999999989	1.75	0.959999999999999964	-1.80000000000000004	2.7799999999999998	0.0160000000000000003	Very soluble	-1.58000000000000007	4.62999999999999989	0.0265999999999999986	Very soluble	-2.45999999999999996	0.608999999999999986	0.00350000000000000007	Soluble	High	Yes	No	No	No	No	No	No	-6.75999999999999979	0	1	0	0	1	0.560000000000000053
1961	270.240000000000009	C15H10O5	\N	\N	1	OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1	20	12	0.0700000000000000067	1	5	3	69.9200000000000017	94.8299999999999983	0.520000000000000018	2.37000000000000011	1.20999999999999996	0.100000000000000006	2.41999999999999993	1.32000000000000006	-3.39000000000000012	0.111000000000000001	0.000411000000000000015	Soluble	-4	0.0269000000000000003	9.95000000000000062e-05	Moderately soluble	-3.91999999999999993	0.0321999999999999995	0.000119000000000000006	Soluble	High	No	No	No	No	No	No	Yes	-6.26999999999999957	0	0	0	0	0	0.550000000000000044
1962	284.259999999999991	C16H12O5	\N	\N	1	COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1	21	12	0.119999999999999996	2	5	2	74.6500000000000057	83.8299999999999983	1.98999999999999999	2.35999999999999988	1.87000000000000011	0.340000000000000024	2.93999999999999995	1.89999999999999991	-3.37999999999999989	0.117999999999999994	0.000416999999999999999	Soluble	-3.75999999999999979	0.0492999999999999966	0.000174000000000000001	Soluble	-4.62000000000000011	0.00679000000000000003	2.39000000000000016e-05	Moderately soluble	High	No	No	Yes	No	No	No	Yes	-6.36000000000000032	0	0	0	0	0	0.550000000000000044
1963	252.219999999999999	C15H8O4	\N	\N	1	O=C1c2ccccc2C(=O)c2c1ccc1c2OCO1	19	12	0.0700000000000000067	0	4	0	65.8100000000000023	52.6000000000000014	2.0299999999999998	2.68000000000000016	2.18999999999999995	1.33000000000000007	3.43000000000000016	2.33000000000000007	-3.56000000000000005	0.0695000000000000062	0.000275999999999999987	Soluble	-3.43999999999999995	0.0922000000000000042	0.000366000000000000006	Soluble	-5	0.0025200000000000001	9.97999999999999932e-06	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-5.94000000000000039	0	0	0	0	0	0.550000000000000044
1964	349.379999999999995	C18H23NO6	\N	\N	1	C/C=C/1\\CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	25	0	0.560000000000000053	1	7	2	92.6200000000000045	96.2999999999999972	2.70999999999999996	0.190000000000000002	-0.299999999999999989	0.540000000000000036	1.12000000000000011	0.849999999999999978	-2.06000000000000005	3.04000000000000004	0.00871000000000000073	Soluble	-1.77000000000000002	5.91999999999999993	0.0170000000000000012	Very soluble	-1.65999999999999992	7.66000000000000014	0.0218999999999999993	Soluble	High	No	No	No	No	No	No	No	-8.30000000000000071	0	0	0	0	0	0.550000000000000044
1966	299.360000000000014	C15H25NO5	\N	\N	1	O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O	21	0	0.800000000000000044	6	6	3	81.1400000000000006	90.230000000000004	2.43999999999999995	-0.440000000000000002	-0.709999999999999964	0.0700000000000000067	0.320000000000000007	0.340000000000000024	-1.02000000000000002	28.3999999999999986	0.0948999999999999982	Very soluble	-0.989999999999999991	30.6999999999999993	0.101999999999999993	Very soluble	-0.110000000000000001	231	0.77300000000000002	Soluble	High	No	Yes	No	No	No	No	No	-8.4399999999999995	0	1	0	0	0	0.550000000000000044
1967	270.240000000000009	C15H10O5	\N	\N	1	Oc1cccc2c1C(=O)c1c(C2=O)cc(c(c1O)O)C	20	12	0.0700000000000000067	0	5	3	70.7800000000000011	94.8299999999999983	2.06000000000000005	2.7200000000000002	1.8899999999999999	0.359999999999999987	2.54999999999999982	1.91999999999999993	-3.66999999999999993	0.0573999999999999996	0.000212000000000000003	Soluble	-4.37000000000000011	0.0117000000000000003	4.30999999999999973e-05	Moderately soluble	-3.91000000000000014	0.0335999999999999979	0.000124000000000000005	Soluble	High	No	No	Yes	No	No	No	Yes	-6.01999999999999957	0	0	0	0	0	0.550000000000000044
1968	353.410000000000025	C18H27NO6	\N	\N	1	C/C=C/1\\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](OC1=O)CCN3C[C@H]2O	25	0	0.780000000000000027	0	7	2	93.5699999999999932	96.2999999999999972	2.56000000000000005	0.949999999999999956	-0.140000000000000013	0.719999999999999973	0.57999999999999996	0.930000000000000049	-2.62999999999999989	0.828999999999999959	0.00235000000000000009	Soluble	-2.56000000000000005	0.974999999999999978	0.00275999999999999987	Soluble	-1.19999999999999996	22.5	0.0635000000000000009	Soluble	High	No	Yes	No	No	No	No	No	-7.78000000000000025	0	0	0	0	0	0.550000000000000044
1969	446.399999999999977	C22H22O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2c(C)cc3c(c2OC)C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O	32	12	0.359999999999999987	4	10	5	107.379999999999995	162.97999999999999	2.31999999999999984	1.23999999999999999	-0.340000000000000024	-1.55000000000000004	0.989999999999999991	0.530000000000000027	-3.39999999999999991	0.176999999999999991	0.000395999999999999976	Soluble	-4.25999999999999979	0.0245000000000000009	5.48999999999999995e-05	Moderately soluble	-2.87999999999999989	0.582999999999999963	0.00130999999999999997	Soluble	Low	No	Yes	No	No	No	No	No	-8.14000000000000057	0	0	1	1	1	0.550000000000000044
1970	608.539999999999964	C28H32O15	\N	\N	1	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(OC)cc4c3C(=O)c3c(C4=O)cc(cc3O)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	43	12	0.5	7	15	8	139.759999999999991	242.129999999999995	2.91999999999999993	-0.910000000000000031	-2.50999999999999979	-3.64999999999999991	-1.09000000000000008	-1.05000000000000004	-2.7799999999999998	1	0.00163999999999999996	Soluble	-3.68999999999999995	0.123999999999999999	0.000203000000000000001	Soluble	-1.09000000000000008	49.7000000000000028	0.0816999999999999948	Soluble	Low	No	Yes	No	No	No	No	No	-10.6600000000000001	3	4	1	1	4	0.170000000000000012
1971	337.410000000000025	C18H27NO5	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)/C(=C\\C)/CO)/C	24	0	0.67000000000000004	8	6	1	94.0100000000000051	76.0699999999999932	3.2799999999999998	1.84000000000000008	1.06000000000000005	1.42999999999999994	1.84000000000000008	1.8899999999999999	-2.56000000000000005	0.923000000000000043	0.00272999999999999979	Soluble	-3.06000000000000005	0.294999999999999984	0.000875000000000000018	Soluble	-1.3899999999999999	13.8000000000000007	0.0408999999999999989	Soluble	High	No	No	No	No	No	No	No	-7.04999999999999982	0	0	0	0	0	0.550000000000000044
1972	446.399999999999977	C22H22O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(C)cc3c2C(=O)c2c(C3=O)cc(cc2O)OC)[C@@H]([C@H]([C@@H]1O)O)O	32	12	0.359999999999999987	4	10	5	107.379999999999995	162.97999999999999	1.22999999999999998	1.23999999999999999	-0.340000000000000024	-1.55000000000000004	0.989999999999999991	0.320000000000000007	-3.39999999999999991	0.176999999999999991	0.000395999999999999976	Soluble	-4.25999999999999979	0.0245000000000000009	5.48999999999999995e-05	Moderately soluble	-2.87999999999999989	0.582999999999999963	0.00130999999999999997	Soluble	Low	No	Yes	No	No	No	No	No	-8.14000000000000057	0	0	1	1	1	0.550000000000000044
1974	335.389999999999986	C18H25NO5	\N	\N	1	C=C1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@@H]([C@H]1C)C)(C)O	24	0	0.67000000000000004	0	6	1	91.9300000000000068	76.0699999999999932	2.54999999999999982	1.17999999999999994	0.67000000000000004	1.42999999999999994	1.35000000000000009	1.42999999999999994	-2.66000000000000014	0.728999999999999981	0.00217000000000000005	Soluble	-2.37000000000000011	1.41999999999999993	0.00423000000000000025	Soluble	-2.12000000000000011	2.54000000000000004	0.00757000000000000034	Soluble	High	No	No	No	No	No	No	No	-7.50999999999999979	0	0	0	0	0	0.550000000000000044
1975	300.220000000000027	C15H8O7	\N	\N	1	O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2O)O)C(=O)O	22	12	0	1	7	4	72.7800000000000011	132.129999999999995	-0.209999999999999992	2.97999999999999998	1.28000000000000003	-0.239999999999999991	1.47999999999999998	1.06000000000000005	-3.91999999999999993	0.0364000000000000018	0.000121	Soluble	-5.41999999999999993	0.00114999999999999998	3.81999999999999985e-06	Moderately soluble	-2.87999999999999989	0.394000000000000017	0.00130999999999999997	Soluble	High	No	No	No	No	No	No	No	-6.01999999999999957	0	0	0	1	0	0.560000000000000053
1976	256.20999999999998	C14H8O5	\N	\N	1	Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O	19	12	0	0	5	3	65.8199999999999932	94.8299999999999983	1.82000000000000006	3.83000000000000007	1.58000000000000007	0.110000000000000001	2.04999999999999982	1.87999999999999989	-4.30999999999999961	0.0126000000000000001	4.91000000000000008e-05	Moderately soluble	-5.51999999999999957	0.000778999999999999962	3.04000000000000012e-06	Moderately soluble	-3.52000000000000002	0.076999999999999999	0.000300999999999999998	Soluble	High	No	No	Yes	No	No	No	Yes	-5.13999999999999968	0	0	0	0	0	0.550000000000000044
1977	365.420000000000016	C19H27NO6	\N	\N	1	C/C=C\\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C	26	0	0.630000000000000004	0	7	1	99.0499999999999972	93.1400000000000006	2.18000000000000016	1.41999999999999993	0.630000000000000004	0.770000000000000018	1.65999999999999992	1.33000000000000007	-3	0.364999999999999991	0.00100000000000000002	Soluble	-2.97999999999999998	0.382000000000000006	0.00104999999999999994	Soluble	-2.49000000000000021	1.18999999999999995	0.00323999999999999982	Soluble	High	No	No	No	No	No	No	No	-7.51999999999999957	0	0	0	0	0	0.550000000000000044
1978	270.240000000000009	C15H10O5	\N	\N	1	COc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O	20	12	0.0700000000000000067	1	5	2	70.2900000000000063	83.8299999999999983	1.96999999999999997	3.60000000000000009	1.87999999999999989	0.359999999999999987	2.56999999999999984	2.08000000000000007	-4.16000000000000014	0.0185999999999999985	6.88999999999999942e-05	Moderately soluble	-5.04999999999999982	0.00241999999999999984	8.97000000000000052e-06	Moderately soluble	-4.21999999999999975	0.0161999999999999991	6.00999999999999972e-05	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-5.38999999999999968	0	0	0	0	0	0.550000000000000044
1981	284.220000000000027	C15H8O6	\N	\N	1	Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O	21	12	0	1	6	3	70.75	111.900000000000006	1.37000000000000011	2.22999999999999998	1.57000000000000006	0.28999999999999998	1.95999999999999996	1.47999999999999998	-3.35999999999999988	0.122999999999999998	0.000433000000000000008	Soluble	-4.21999999999999975	0.0172999999999999994	6.09000000000000031e-05	Moderately soluble	-3.45999999999999996	0.0979000000000000009	0.000344000000000000013	Soluble	High	No	No	No	No	No	No	Yes	-6.45000000000000018	0	0	0	0	0	0.560000000000000053
1982	254.240000000000009	C15H10O4	\N	\N	1	O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C	19	12	0.0700000000000000067	0	4	2	68.7600000000000051	74.5999999999999943	1.93999999999999995	3.06999999999999984	2.18000000000000016	0.92000000000000004	3.04000000000000004	2.22999999999999998	-3.81999999999999984	0.0386999999999999983	0.000152000000000000008	Soluble	-4.29999999999999982	0.0126000000000000001	4.97000000000000019e-05	Moderately soluble	-4.49000000000000021	0.00831999999999999927	3.2700000000000002e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-5.66999999999999993	0	0	0	0	0	0.550000000000000044
1983	283.360000000000014	C15H25NO4	\N	\N	1	CC([C@@](C(=O)OCC1=CCN2[C@H]1CCC2)([C@H](O)C)O)C	20	0	0.800000000000000044	6	5	2	79.9699999999999989	70	2.70000000000000018	0.540000000000000036	0.320000000000000007	0.880000000000000004	1.18999999999999995	1.12999999999999989	-1.54000000000000004	8.15000000000000036	0.0287999999999999992	Very soluble	-1.58000000000000007	7.42999999999999972	0.0262000000000000011	Very soluble	-0.92000000000000004	33.7999999999999972	0.118999999999999995	Soluble	High	No	No	No	No	No	No	No	-7.65000000000000036	0	0	0	0	0	0.550000000000000044
1984	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	0.849999999999999978	1.19999999999999996	-1.10000000000000009	-3.14999999999999991	-0.739999999999999991	-0.589999999999999969	-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
1985	222.240000000000009	C15H10O2	\N	\N	1	Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1	17	12	0.0700000000000000067	0	2	0	64.7199999999999989	34.1400000000000006	2.20000000000000018	3.93999999999999995	2.77000000000000002	2.12000000000000011	4.04000000000000004	3.00999999999999979	-4.21999999999999975	0.0132999999999999993	5.98999999999999991e-05	Moderately soluble	-4.36000000000000032	0.0097800000000000005	4.39999999999999989e-05	Moderately soluble	-5.63999999999999968	0.000513000000000000001	2.30999999999999991e-06	Moderately soluble	High	Yes	No	Yes	Yes	No	No	No	-4.86000000000000032	0	0	0	0	0	0.550000000000000044
1987	381.45999999999998	C20H31NO6	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)/C	27	0	0.699999999999999956	9	7	2	104.819999999999993	96.2999999999999972	3.75999999999999979	2.14000000000000012	0.810000000000000053	1.09000000000000008	1.73999999999999999	1.90999999999999992	-2.95999999999999996	0.418999999999999984	0.00110000000000000007	Soluble	-3.79000000000000004	0.0613000000000000003	0.00016100000000000001	Soluble	-1.18999999999999995	24.6999999999999993	0.0648999999999999994	Soluble	High	No	No	No	No	No	No	No	-7.11000000000000032	0	0	0	0	0	0.550000000000000044
1988	381.45999999999998	C20H31NO6	\N	\N	1	C/C=C(/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)\\C	27	0	0.699999999999999956	9	7	2	104.819999999999993	96.2999999999999972	3.27000000000000002	2.14000000000000012	0.810000000000000053	1.09000000000000008	1.73999999999999999	1.81000000000000005	-2.95999999999999996	0.418999999999999984	0.00110000000000000007	Soluble	-3.79000000000000004	0.0613000000000000003	0.00016100000000000001	Soluble	-1.18999999999999995	24.6999999999999993	0.0648999999999999994	Soluble	High	No	No	No	No	No	No	No	-7.11000000000000032	0	0	0	0	0	0.550000000000000044
1989	335.389999999999986	C18H25NO5	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C\\C)/CO)/C	24	0	0.560000000000000053	8	6	1	93.5300000000000011	76.0699999999999932	3.25999999999999979	1.80000000000000004	0.979999999999999982	1.34000000000000008	1.83000000000000007	1.84000000000000008	-2.5299999999999998	1	0.00298000000000000001	Soluble	-3.02000000000000002	0.323000000000000009	0.000962999999999999989	Soluble	-1.37000000000000011	14.3000000000000007	0.042599999999999999	Soluble	High	No	No	No	No	No	No	No	-7.07000000000000028	0	0	0	0	0	0.550000000000000044
1990	199.25	C10H17NO3	\N	\N	1	COC(=O)[C@H]1[C@@H]2CCCN2C[C@@]1(C)O	14	0	0.900000000000000022	2	4	1	55.25	49.7700000000000031	2.33000000000000007	0.569999999999999951	-0.380000000000000004	0.46000000000000002	0.400000000000000022	0.680000000000000049	-1.30000000000000004	9.92999999999999972	0.049799999999999997	Very soluble	-1.18999999999999995	12.9000000000000004	0.0648999999999999994	Very soluble	-0.57999999999999996	52.7999999999999972	0.265000000000000013	Soluble	High	No	No	No	No	No	No	No	-7.11000000000000032	0	0	0	0	1	0.550000000000000044
1991	357.399999999999977	C17H27NO7	\N	\N	1	CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@@H](O)C)O	25	0	0.760000000000000009	8	8	3	92.0699999999999932	116.530000000000001	2.20999999999999996	-0.450000000000000011	-1.02000000000000002	-0.309999999999999998	0.100000000000000006	0.110000000000000001	-1.23999999999999999	20.3999999999999986	0.0570000000000000021	Very soluble	-1.53000000000000003	10.5	0.0293999999999999991	Very soluble	-0.149999999999999994	251	0.700999999999999956	Soluble	High	No	Yes	No	No	No	No	No	-8.80000000000000071	0	1	0	0	0	0.550000000000000044
1992	351.389999999999986	C18H25NO6	\N	\N	1	C/C=C/1\\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	25	0	0.67000000000000004	1	7	2	93.0900000000000034	96.2999999999999972	2.45000000000000018	0.589999999999999969	-0.220000000000000001	0.630000000000000004	0.849999999999999978	0.859999999999999987	-2.31999999999999984	1.66999999999999993	0.00474000000000000029	Soluble	-2.18999999999999995	2.29000000000000004	0.00651999999999999975	Soluble	-1.42999999999999994	13.0999999999999996	0.0372999999999999998	Soluble	High	No	Yes	No	No	No	No	No	-8.01999999999999957	0	0	0	0	0	0.550000000000000044
1994	288.25	C15H12O6	\N	\N	1	Oc1ccc(c(c1)O)[C@@H]1COc2c(C1=O)c(O)cc(c2)O	21	12	0.130000000000000004	1	6	4	73.5900000000000034	107.219999999999999	1.37000000000000011	2.20000000000000018	1.87000000000000011	0.160000000000000003	1.56000000000000005	1.42999999999999994	-3.37000000000000011	0.122999999999999998	0.000427000000000000025	Soluble	-4.08999999999999986	0.0236999999999999988	8.21000000000000034e-05	Moderately soluble	-2.83999999999999986	0.418999999999999984	0.0014499999999999999	Soluble	High	No	Yes	No	No	No	No	Yes	-6.5	0	0	0	0	0	0.550000000000000044
1995	534.509999999999991	C26H30O12	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1OC[C@@H](C2=O)c1cc2C[C@H](Oc2cc1O)C(O)(C)C)O	38	12	0.5	4	12	8	129.150000000000006	206.599999999999994	2.24000000000000021	0.100000000000000006	-0.569999999999999951	-2.02000000000000002	0.340000000000000024	0.0200000000000000004	-3.18999999999999995	0.347999999999999976	0.000650999999999999994	Soluble	-3.99000000000000021	0.0541999999999999982	0.000101000000000000002	Soluble	-1.59000000000000008	13.6999999999999993	0.0257000000000000006	Soluble	Low	No	Yes	No	No	No	No	No	-9.49000000000000021	3	2	1	1	3	0.170000000000000012
1996	394.420000000000016	C23H22O6	\N	\N	1	COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C=CC(Oc1cc2)(C)C	29	12	0.349999999999999978	2	6	0	106.980000000000004	63.2199999999999989	3.85999999999999988	3.7200000000000002	3.89999999999999991	1.92999999999999994	4.11000000000000032	3.5	-4.79999999999999982	0.00621000000000000024	1.56999999999999988e-05	Moderately soluble	-4.74000000000000021	0.00719000000000000021	1.81999999999999985e-05	Moderately soluble	-5.96999999999999975	0.000420000000000000017	1.06000000000000002e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	Yes	Yes	-6.05999999999999961	0	0	0	0	0	0.550000000000000044
1997	340.370000000000005	C20H20O5	\N	\N	1	CC(=CCc1c(O)ccc2c1OC[C@H](C2=O)c1ccc(cc1O)O)C	25	12	0.25	3	5	3	95.2900000000000063	86.9899999999999949	1.97999999999999998	3.93000000000000016	3.66999999999999993	1.82000000000000006	3.75	3.0299999999999998	-4.58000000000000007	0.00888000000000000074	2.61000000000000008e-05	Moderately soluble	-5.45999999999999996	0.00119000000000000009	3.49999999999999995e-06	Moderately soluble	-4.65000000000000036	0.00755000000000000029	2.22000000000000009e-05	Moderately soluble	High	No	No	No	No	Yes	Yes	Yes	-5.58999999999999986	0	0	0	0	0	0.550000000000000044
1998	302.279999999999973	C16H14O6	\N	\N	1	COc1ccc(c(c1)O)[C@@H]1COc2c(C1=O)c(O)cc(c2)O	22	12	0.190000000000000002	2	6	3	78.0600000000000023	96.2199999999999989	2.06000000000000005	2.5299999999999998	2.16999999999999993	0.409999999999999976	2.08000000000000007	1.85000000000000009	-3.58000000000000007	0.0796000000000000041	0.000262999999999999996	Soluble	-4.20000000000000018	0.0191999999999999983	6.34999999999999985e-05	Moderately soluble	-3.5299999999999998	0.0884000000000000064	0.000291999999999999996	Soluble	High	No	Yes	Yes	No	No	No	Yes	-6.34999999999999964	0	0	0	0	0	0.550000000000000044
1999	432.379999999999995	C21H20O10	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1occ(c2=O)c1ccc(cc1)O)O	31	16	0.28999999999999998	3	10	7	106.609999999999999	181.050000000000011	1.53000000000000003	0.209999999999999992	-0.23000000000000001	-2.02000000000000002	0.330000000000000016	-0.0299999999999999989	-2.83999999999999986	0.629000000000000004	0.00145999999999999993	Soluble	-3.56999999999999984	0.116000000000000006	0.000268000000000000009	Soluble	-2.37999999999999989	1.81000000000000005	0.00419999999999999974	Soluble	Low	No	No	No	No	No	No	No	-8.78999999999999915	1	0	1	1	2	0.550000000000000044
2000	324.370000000000005	C20H20O4	\N	\N	1	Oc1ccc(c(c1)O)[C@@H]1COc2c(C1)ccc1c2C=CC(O1)(C)C	24	12	0.299999999999999989	1	4	2	93.25	58.9200000000000017	2.9700000000000002	3.89000000000000012	3.89000000000000012	2.72999999999999998	3.75999999999999979	3.45000000000000018	-4.61000000000000032	0.00804000000000000027	2.47999999999999997e-05	Moderately soluble	-4.83000000000000007	0.00485000000000000014	1.50000000000000004e-05	Moderately soluble	-4.95000000000000018	0.00367000000000000009	1.13000000000000002e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-5.51999999999999957	0	0	0	0	0	0.550000000000000044
2002	330.29000000000002	C17H14O7	\N	\N	1	COc1cc2c(cc1O)OC[C@@]1([C@H]2Oc2c1cc1c(c2)OCO1)O	24	12	0.28999999999999998	1	7	2	80.269999999999996	86.6099999999999994	2.56999999999999984	2.2200000000000002	1.40999999999999992	0.609999999999999987	2.10000000000000009	1.78000000000000003	-3.58999999999999986	0.0848000000000000004	0.000257000000000000013	Soluble	-3.66999999999999993	0.0700000000000000067	0.000212000000000000003	Soluble	-3.68000000000000016	0.0688	0.000207999999999999987	Soluble	High	No	Yes	Yes	No	No	Yes	Yes	-6.74000000000000021	0	0	0	0	0	0.550000000000000044
2003	392.490000000000009	C25H28O4	\N	\N	1	CC(=CCc1c(O)ccc(c1O)[C@@H]1COc2c(C1)ccc1c2C=CC(O1)(C)C)C	29	12	0.359999999999999987	3	4	2	116.969999999999999	58.9200000000000017	4.20999999999999996	5.82000000000000028	5.40000000000000036	3.72999999999999998	5.5	4.92999999999999972	-6.04999999999999982	0.000351000000000000021	8.95000000000000007e-07	Poorly soluble	-6.83000000000000007	5.83000000000000009e-05	1.48999999999999997e-07	Poorly soluble	-6.16999999999999993	0.000266999999999999985	6.81000000000000023e-07	Poorly soluble	High	Yes	No	No	Yes	Yes	No	Yes	-4.55999999999999961	0	0	0	0	1	0.550000000000000044
2004	234.25	C13H14O4	\N	\N	1	C=C[C@@H](c1ccc(cc1)OC(=O)C)OC(=O)C	17	6	0.23000000000000001	6	4	0	62.9500000000000028	52.6000000000000014	2.7799999999999998	2.20999999999999996	2.08000000000000007	2.31000000000000005	2.58000000000000007	2.39000000000000012	-2.54999999999999982	0.660000000000000031	0.00282000000000000002	Soluble	-2.95000000000000018	0.263000000000000012	0.0011199999999999999	Soluble	-3.04999999999999982	0.20799999999999999	0.000886999999999999985	Soluble	High	Yes	No	Yes	Yes	No	No	No	-6.16000000000000014	0	0	0	0	0	0.550000000000000044
2005	148.199999999999989	C10H12O	\N	\N	1	C/C=C/c1ccc(cc1)OC	11	6	0.200000000000000011	2	1	0	47.8299999999999983	9.23000000000000043	2.54999999999999982	3.29999999999999982	2.62000000000000011	2.66999999999999993	2.79000000000000004	2.79000000000000004	-3.10999999999999988	0.115000000000000005	0.000777000000000000021	Soluble	-3.16999999999999993	0.100000000000000006	0.000676999999999999976	Soluble	-2.97999999999999998	0.154999999999999999	0.00103999999999999991	Soluble	High	Yes	No	Yes	No	No	No	No	-4.86000000000000032	0	1	0	0	2	0.550000000000000044
2006	336.29000000000002	C16H16O8	\N	\N	1	O=C(O[C@@H]1CC(=C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O	24	6	0.25	5	8	5	81.8299999999999983	144.52000000000001	0.419999999999999984	0.23000000000000001	0.0500000000000000028	-0.349999999999999978	-0.140000000000000013	0.0400000000000000008	-1.91999999999999993	4	0.0119000000000000009	Very soluble	-2.81999999999999984	0.503000000000000003	0.00150000000000000003	Soluble	0.0500000000000000028	380	1.12999999999999989	Soluble	Low	No	No	No	No	No	No	No	-8.1899999999999995	0	0	1	1	0	0.560000000000000053
2007	368.379999999999995	C21H20O6	\N	\N	1	COc1cc(/C=C/C(=C/C(=O)/C=C/c2ccc(c(c2)OC)O)/O)ccc1O	27	12	0.100000000000000006	7	6	3	103.700000000000003	96.2199999999999989	3.20999999999999996	3.97999999999999998	3.62999999999999989	1.46999999999999997	3.54999999999999982	3.16999999999999993	-4.5	0.0117000000000000003	3.18000000000000005e-05	Moderately soluble	-5.70000000000000018	0.000732000000000000012	1.99000000000000001e-06	Moderately soluble	-3.60999999999999988	0.0902000000000000024	0.000244999999999999992	Soluble	High	No	No	No	No	Yes	No	Yes	-5.71999999999999975	0	0	0	0	0	0.560000000000000053
2009	182.219999999999999	C10H14O3	\N	\N	1	OCCCc1ccc(c(c1)OC)O	13	6	0.400000000000000022	4	3	2	50.7000000000000028	49.6899999999999977	2.12000000000000011	1.12999999999999989	1.33000000000000007	1.21999999999999997	1.87999999999999989	1.54000000000000004	-1.76000000000000001	3.16999999999999993	0.0173999999999999988	Very soluble	-1.77000000000000002	3.10999999999999988	0.0171000000000000006	Very soluble	-2.58999999999999986	0.468999999999999972	0.00257999999999999983	Soluble	High	Yes	No	No	No	No	No	No	-6.61000000000000032	0	0	0	0	1	0.550000000000000044
2010	208.25	C12H16O3	\N	\N	1	C=CCc1cc(OC)c(c(c1)OC)OC	15	6	0.330000000000000016	5	3	0	60.0200000000000031	27.6900000000000013	2.89000000000000012	2.5299999999999998	2.43999999999999995	1.96999999999999997	3.06000000000000005	2.58000000000000007	-2.68999999999999995	0.423999999999999988	0.00204000000000000015	Soluble	-2.75999999999999979	0.36399999999999999	0.00175000000000000004	Soluble	-3.64000000000000012	0.0478999999999999981	0.000230000000000000007	Soluble	High	Yes	No	Yes	No	No	No	No	-5.76999999999999957	0	0	0	0	0	0.550000000000000044
2011	148.199999999999989	C10H12O	\N	\N	1	COc1ccc(cc1)CC=C	11	6	0.200000000000000011	3	1	0	47.0399999999999991	9.23000000000000043	2.4700000000000002	3.37000000000000011	2.41999999999999993	2.66999999999999993	2.95999999999999996	2.7799999999999998	-3.08999999999999986	0.120999999999999996	0.000817000000000000018	Soluble	-3.24000000000000021	0.0849000000000000032	0.00057300000000000005	Soluble	-3.35000000000000009	0.0653999999999999998	0.00044200000000000001	Soluble	High	Yes	No	Yes	No	No	No	No	-4.80999999999999961	0	1	0	0	2	0.550000000000000044
2012	164.199999999999989	C10H12O2	\N	\N	1	C=CCc1ccc(c(c1)OC)O	12	6	0.200000000000000011	3	2	1	49.0600000000000023	29.4600000000000009	2.37000000000000011	2.27000000000000002	2.12999999999999989	2.00999999999999979	2.47999999999999998	2.25	-2.45999999999999996	0.56899999999999995	0.00346999999999999999	Soluble	-2.5299999999999998	0.489999999999999991	0.00298000000000000001	Soluble	-2.79000000000000004	0.265000000000000013	0.0016100000000000001	Soluble	High	Yes	No	Yes	No	No	No	No	-5.69000000000000039	0	0	0	0	1	0.550000000000000044
2013	300.310000000000002	C17H16O5	\N	\N	1	COc1ccc2c(c1)O[C@@H]1[C@H]2COc2c1ccc(c2O)OC	22	12	0.28999999999999998	2	5	1	79.6599999999999966	57.1499999999999986	2.91999999999999993	2.58000000000000007	2.68999999999999995	1.55000000000000004	2.7799999999999998	2.50999999999999979	-3.60000000000000009	0.0756000000000000005	0.000252	Soluble	-3.43000000000000016	0.112000000000000002	0.000373000000000000013	Soluble	-4.42999999999999972	0.0111999999999999999	3.74000000000000011e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-6.29999999999999982	0	0	0	0	0	0.550000000000000044
2014	294.389999999999986	C17H26O4	\N	\N	1	CCCCC[C@@H](CC(=O)CCc1ccc(c(c1)OC)O)O	21	6	0.589999999999999969	10	4	2	84.5499999999999972	66.7600000000000051	3.47999999999999998	2.75999999999999979	3.22999999999999998	2.14000000000000012	4.04000000000000004	3.12999999999999989	-2.95999999999999996	0.326000000000000012	0.00111000000000000009	Soluble	-3.81999999999999984	0.0447999999999999995	0.000152000000000000008	Soluble	-4.58000000000000007	0.00764999999999999968	2.59999999999999984e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	No	-6.13999999999999968	0	0	0	0	0	0.550000000000000044
2015	410.420000000000016	C23H22O7	\N	\N	1	COc1cc2c(cc1OC)OC[C@@H]1[C@@]2(O)C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C	30	12	0.349999999999999978	3	7	1	107.200000000000003	83.4500000000000028	3.7200000000000002	3.33999999999999986	2.70000000000000018	1.12999999999999989	3.89999999999999991	2.95999999999999996	-4.58999999999999986	0.0106	2.58999999999999994e-05	Moderately soluble	-4.76999999999999957	0.00698000000000000009	1.69999999999999999e-05	Moderately soluble	-5.62999999999999989	0.000957999999999999976	2.33000000000000014e-06	Moderately soluble	High	No	No	No	No	Yes	Yes	Yes	-6.42999999999999972	0	0	0	0	0	0.550000000000000044
2017	298.25	C16H10O6	\N	\N	1	Oc1ccc(cc1)c1coc2c(c1=O)c(O)c1c(c2)OCO1	22	16	0.0599999999999999978	1	6	2	78.0300000000000011	89.1299999999999955	2.29000000000000004	2.83000000000000007	2.60000000000000009	0.630000000000000004	2.87999999999999989	2.24000000000000021	-3.93999999999999995	0.0338999999999999996	0.000114000000000000006	Soluble	-4.36000000000000032	0.0129999999999999994	4.36999999999999983e-05	Moderately soluble	-4.71999999999999975	0.00566999999999999969	1.9000000000000001e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.11000000000000032	0	0	0	0	0	0.550000000000000044
2018	516.450000000000045	C25H24O12	\N	\N	1	O=C(O[C@@H]1[C@H](O)C[C@@](C[C@H]1OC(=O)/C=C/c1ccc(c(c1)O)O)(O)C(=O)O)/C=C/c1ccc(c(c1)O)O	37	12	0.239999999999999991	9	12	7	126.900000000000006	211.280000000000001	1.32000000000000006	1.52000000000000002	0.810000000000000053	-0.349999999999999978	0.689999999999999947	0.800000000000000044	-3.64999999999999991	0.117000000000000007	0.000225999999999999991	Soluble	-5.57000000000000028	0.00139999999999999999	2.71999999999999979e-06	Moderately soluble	-1.15999999999999992	35.3999999999999986	0.0685000000000000053	Soluble	Low	No	Yes	No	No	No	No	No	-8.36999999999999922	3	1	1	1	3	0.110000000000000001
2019	314.29000000000002	C17H14O6	\N	\N	1	COc1ccc(cc1)c1coc2c(c1=O)c(O)c(c(c2)O)OC	23	16	0.119999999999999996	3	6	2	84.9500000000000028	89.1299999999999955	2.95999999999999996	2.95999999999999996	2.89000000000000012	0.469999999999999973	3.06999999999999984	2.4700000000000002	-3.9700000000000002	0.0337000000000000008	0.000106999999999999999	Soluble	-4.49000000000000021	0.0100999999999999996	3.19999999999999986e-05	Moderately soluble	-5.21999999999999975	0.00191000000000000002	6.08000000000000023e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.12000000000000011	0	0	0	0	0	0.550000000000000044
2020	192.210000000000008	C11H12O3	\N	\N	1	C=CCc1cc(OC)c2c(c1)OCO2	14	6	0.270000000000000018	3	3	0	53.1000000000000014	27.6900000000000013	2.66999999999999993	2.93999999999999995	2.14999999999999991	1.69999999999999996	2.99000000000000021	2.49000000000000021	-3	0.191000000000000003	0.000992999999999999959	Soluble	-3.18000000000000016	0.126000000000000001	0.000654999999999999983	Soluble	-3.12999999999999989	0.141999999999999987	0.000738000000000000049	Soluble	High	Yes	No	Yes	No	No	No	No	-5.38999999999999968	0	0	0	0	1	0.550000000000000044
2021	278.389999999999986	C17H26O3	\N	\N	1	CCCCCCCC(=O)CCc1ccc(c(c1)OC)O	20	6	0.589999999999999969	10	3	1	83.3900000000000006	46.5300000000000011	3.64999999999999991	4.11000000000000032	4.25999999999999979	2.99000000000000021	4.79000000000000004	3.95999999999999996	-3.7200000000000002	0.053400000000000003	0.000192000000000000005	Soluble	-4.79000000000000004	0.00447999999999999961	1.60999999999999983e-05	Moderately soluble	-5.51999999999999957	0.000836999999999999962	3.00999999999999998e-06	Moderately soluble	High	Yes	No	Yes	No	No	Yes	No	-5.08000000000000007	0	0	0	0	0	0.550000000000000044
2022	354.350000000000023	C20H18O6	\N	\N	1	CC(=CCc1c(O)ccc(c1O)c1coc2c(c1=O)c(O)cc(c2)O)C	26	16	0.149999999999999994	3	6	4	99.730000000000004	111.129999999999995	2.85000000000000009	4.24000000000000021	3.79000000000000004	1.09000000000000008	3.72999999999999998	3.14000000000000012	-4.96999999999999975	0.0038400000000000001	1.07999999999999999e-05	Moderately soluble	-6.28000000000000025	0.000184	5.19000000000000028e-07	Poorly soluble	-5.04999999999999982	0.00311999999999999994	8.81000000000000035e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	No	-5.45000000000000018	0	0	0	0	0	0.550000000000000044
2024	276.370000000000005	C17H24O3	\N	\N	1	CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O	20	6	0.469999999999999973	9	3	1	82.9099999999999966	46.5300000000000011	3.2799999999999998	3.99000000000000021	4.04000000000000004	2.89999999999999991	4.61000000000000032	3.75999999999999979	-3.70000000000000018	0.0558000000000000024	0.000202000000000000004	Soluble	-4.66999999999999993	0.00593000000000000037	2.13999999999999984e-05	Moderately soluble	-4.79999999999999982	0.0043499999999999997	1.56999999999999988e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	No	-5.15000000000000036	0	0	0	0	0	0.550000000000000044
2025	302.319999999999993	C17H18O5	\N	\N	1	COc1cc(OC)c2c(c1)OC[C@H](C2)c1ccc(cc1O)O	22	12	0.28999999999999998	3	5	2	82.1099999999999994	68.1500000000000057	2.52000000000000002	2.91000000000000014	2.83000000000000007	1.55000000000000004	2.91999999999999993	2.54999999999999982	-3.75	0.053400000000000003	0.000175999999999999995	Soluble	-4	0.0300999999999999983	9.95000000000000062e-05	Moderately soluble	-4.34999999999999964	0.0135999999999999992	4.49000000000000004e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.08000000000000007	0	0	0	0	0	0.550000000000000044
2026	354.350000000000023	C20H18O6	\N	\N	1	CC(=CCc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1O)O)C	26	16	0.149999999999999994	3	6	4	99.730000000000004	111.129999999999995	2.70999999999999996	4.24000000000000021	3.79000000000000004	1.09000000000000008	3.72999999999999998	3.10999999999999988	-4.96999999999999975	0.0038400000000000001	1.07999999999999999e-05	Moderately soluble	-6.28000000000000025	0.000184	5.19000000000000028e-07	Poorly soluble	-5.04999999999999982	0.00311999999999999994	8.81000000000000035e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	No	-5.45000000000000018	0	0	0	0	0	0.550000000000000044
2027	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	2.47999999999999998	2.60999999999999988	2.41000000000000014	1.70999999999999996	2.60000000000000009	2.35999999999999988	-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
2028	270.279999999999973	C16H14O4	\N	\N	1	COc1ccc2c(c1)O[C@@H]1[C@H]2COc2c1ccc(c2)O	20	12	0.25	1	4	1	73.1700000000000017	47.9200000000000017	2.58000000000000007	2.77000000000000002	2.68999999999999995	1.87000000000000011	2.75	2.5299999999999998	-3.64000000000000012	0.0621000000000000024	0.000230000000000000007	Soluble	-3.43000000000000016	0.100000000000000006	0.000369999999999999995	Soluble	-4.30999999999999961	0.0131999999999999999	4.89999999999999984e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-5.98000000000000043	0	0	0	0	0	0.550000000000000044
2029	284.259999999999991	C16H12O5	\N	\N	1	COc1cc2oc(=O)cc(c2cc1O)c1ccc(cc1)O	21	16	0.0599999999999999978	2	5	2	78.4599999999999937	79.9000000000000057	2.2799999999999998	2.35000000000000009	2.87999999999999989	1.58000000000000007	3.0299999999999998	2.41999999999999993	-3.50999999999999979	0.086900000000000005	0.000306000000000000011	Soluble	-3.66999999999999993	0.0611000000000000015	0.000214999999999999995	Soluble	-5.09999999999999964	0.00224999999999999983	7.9100000000000005e-06	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-6.37000000000000011	0	0	0	0	0	0.550000000000000044
2031	378.370000000000005	C22H18O6	\N	\N	1	O=C1c2ccc3c(c2O[C@H]2[C@@H]1c1cc4OCOc4cc1OC2)C=CC(O3)(C)C	28	12	0.320000000000000007	0	6	0	100.060000000000002	63.2199999999999989	3.60000000000000009	3.62000000000000011	3.60999999999999988	2.12000000000000011	3.85000000000000009	3.35999999999999988	-4.78000000000000025	0.00623000000000000029	1.65000000000000013e-05	Moderately soluble	-4.63999999999999968	0.00876000000000000043	2.32000000000000015e-05	Moderately soluble	-5.48000000000000043	0.00124	3.28999999999999984e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-6.04000000000000004	0	0	0	0	0	0.550000000000000044
2032	302.319999999999993	C17H18O5	\N	\N	1	COc1c(ccc(c1O)OC)[C@H]1COc2c(C1)ccc(c2)O	22	12	0.28999999999999998	3	5	2	82.1099999999999994	68.1500000000000057	2.77000000000000002	2.91000000000000014	2.83000000000000007	1.55000000000000004	2.91999999999999993	2.60000000000000009	-3.75	0.053400000000000003	0.000175999999999999995	Soluble	-4	0.0300999999999999983	9.95000000000000062e-05	Moderately soluble	-4.34999999999999964	0.0135999999999999992	4.49000000000000004e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.08000000000000007	0	0	0	0	0	0.550000000000000044
2033	286.279999999999973	C16H14O5	\N	\N	1	COc1c(O)ccc2c1O[C@@H]1[C@H]2COc2c1ccc(c2)O	21	12	0.25	1	5	2	75.1899999999999977	68.1500000000000057	2.41000000000000014	2.41000000000000014	2.39000000000000012	1.31000000000000005	2.25999999999999979	2.16000000000000014	-3.49000000000000021	0.0926000000000000018	0.000324000000000000015	Soluble	-3.47999999999999998	0.0941000000000000031	0.000328999999999999974	Soluble	-3.72999999999999998	0.0533000000000000002	0.000185999999999999995	Soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-6.33999999999999986	0	0	0	0	0	0.550000000000000044
2034	430.399999999999977	C22H22O9	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)OC)[C@@H]([C@H]([C@@H]1O)O)O	31	16	0.320000000000000007	5	9	4	108.560000000000002	138.819999999999993	2.64999999999999991	0.989999999999999991	0.650000000000000022	-0.890000000000000013	1.3600000000000001	0.949999999999999956	-3.18000000000000016	0.281999999999999973	0.000653999999999999959	Soluble	-3.49000000000000021	0.138000000000000012	0.000320999999999999996	Soluble	-3.9700000000000002	0.0459000000000000033	0.000106999999999999999	Soluble	High	No	Yes	No	No	No	No	Yes	-8.22000000000000064	0	0	0	1	0	0.550000000000000044
2035	286.240000000000009	C15H10O6	\N	\N	1	Oc1cc(O)c2c(c1)occ(c2=O)c1ccc(c(c1)O)O	21	16	0	1	6	4	76.0100000000000051	111.129999999999995	1.8600000000000001	2.5299999999999998	2.2799999999999998	-0.0299999999999999989	2.0299999999999998	1.72999999999999998	-3.70999999999999996	0.0563000000000000028	0.000196999999999999991	Soluble	-4.50999999999999979	0.00884000000000000064	3.08999999999999989e-05	Moderately soluble	-3.81999999999999984	0.0429000000000000006	0.000149999999999999987	Soluble	High	No	No	Yes	No	No	Yes	Yes	-6.25	0	0	0	0	0	0.550000000000000044
2036	366.319999999999993	C20H14O7	\N	\N	1	COc1c2O[C@@H]3COc4c([C@@H]3C(=O)c2cc2c1occ2)cc1c(c4)OCO1	27	15	0.25	1	7	0	92.2099999999999937	76.3599999999999994	3.10999999999999988	3.06999999999999984	3.29000000000000004	1.08000000000000007	3.39000000000000012	2.79000000000000004	-4.38999999999999968	0.0149	4.07e-05	Moderately soluble	-4.33999999999999986	0.0166999999999999996	4.56999999999999995e-05	Moderately soluble	-5.63999999999999968	0.000831000000000000033	2.26999999999999987e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-6.34999999999999964	0	0	0	0	0	0.550000000000000044
2037	594.519999999999982	C27H30O15	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c2c(c1O)c(=O)c(co2)c1ccc(cc1)O	42	16	0.440000000000000002	5	15	11	139.22999999999999	271.199999999999989	0.959999999999999964	-2.25999999999999979	-3.04000000000000004	-4.50999999999999979	-1.80000000000000004	-2.12999999999999989	-2.04999999999999982	5.25	0.00882999999999999931	Soluble	-2.89999999999999991	0.745999999999999996	0.00126000000000000005	Soluble	-0.270000000000000018	319	0.536000000000000032	Soluble	Low	No	No	No	No	No	No	No	-11.5299999999999994	3	4	1	1	4	0.170000000000000012
2039	324.370000000000005	C20H20O4	\N	\N	1	Oc1ccc2c(c1)OC[C@H](C2)c1ccc2c(c1O)C=CC(O2)(C)C	24	12	0.299999999999999989	1	4	2	93.25	58.9200000000000017	3.08000000000000007	3.89000000000000012	3.89000000000000012	2.72999999999999998	3.75999999999999979	3.4700000000000002	-4.61000000000000032	0.00804000000000000027	2.47999999999999997e-05	Moderately soluble	-4.83000000000000007	0.00485000000000000014	1.50000000000000004e-05	Moderately soluble	-4.95000000000000018	0.00367000000000000009	1.13000000000000002e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-5.51999999999999957	0	0	0	0	0	0.550000000000000044
2040	314.29000000000002	C17H14O6	\N	\N	1	COc1ccc2c(c1)OC[C@]1([C@@H]2Oc2c1cc1c(c2)OCO1)O	23	12	0.28999999999999998	1	6	1	78.25	66.3799999999999955	2.91999999999999993	2.58000000000000007	1.69999999999999996	1.1399999999999999	2.58999999999999986	2.18999999999999995	-3.72999999999999998	0.0580000000000000029	0.000184	Soluble	-3.62000000000000011	0.0749999999999999972	0.000239000000000000009	Soluble	-4.25999999999999979	0.0171000000000000006	5.45000000000000034e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	Yes	-6.38999999999999968	0	0	0	0	0	0.550000000000000044
2041	451.509999999999991	C26H29NO6	\N	\N	1	COc1c(N)c(O)c(c(c1CC=C(C)C)c1coc2c(c1=O)c(O)cc(c2)O)CC=C(C)C	33	16	0.270000000000000018	6	6	4	132.330000000000013	126.150000000000006	3.58000000000000007	5.80999999999999961	5.19000000000000039	1.77000000000000002	5.40000000000000036	4.34999999999999964	-6.25999999999999979	0.000246999999999999986	5.46000000000000045e-07	Poorly soluble	-8.23000000000000043	2.65999999999999994e-06	5.89999999999999989e-09	Poorly soluble	-6.58000000000000007	0.000116999999999999998	2.59999999999999999e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-4.92999999999999972	0	1	0	0	1	0.550000000000000044
2042	420.449999999999989	C25H24O6	\N	\N	1	CC(=CCc1c2OC(C)(C)C=Cc2c2c(c1O)c(=O)c(co2)c1ccc(c(c1)O)O)C	31	16	0.239999999999999991	3	6	3	121.829999999999998	100.129999999999995	3.87000000000000011	5.51999999999999957	5.16000000000000014	2.08999999999999986	5.17999999999999972	4.37000000000000011	-6.11000000000000032	0.000328000000000000004	7.78999999999999974e-07	Poorly soluble	-7.37999999999999989	1.73999999999999994e-05	4.1500000000000001e-08	Poorly soluble	-6.44000000000000039	0.000152000000000000008	3.61000000000000016e-07	Poorly soluble	High	No	No	No	Yes	Yes	No	No	-4.95000000000000018	0	0	0	0	1	0.550000000000000044
2043	300.259999999999991	C16H12O6	\N	\N	1	COc1ccc(cc1O)c1coc2c(c1=O)c(O)cc(c2)O	22	16	0.0599999999999999978	2	6	3	80.480000000000004	100.129999999999995	2.37999999999999989	3.10000000000000009	2.58999999999999986	0.220000000000000001	2.54999999999999982	2.16999999999999993	-4.05999999999999961	0.0261000000000000017	8.68999999999999981e-05	Moderately soluble	-4.87000000000000011	0.00404000000000000019	1.34999999999999995e-05	Moderately soluble	-4.51999999999999957	0.00906999999999999994	3.01999999999999988e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.92999999999999972	0	0	0	0	0	0.550000000000000044
2044	284.259999999999991	C16H12O5	\N	\N	1	COc1cc(O)c2c(c1)occ(c2=O)c1ccc(cc1)O	21	16	0.0599999999999999978	2	5	2	78.4599999999999937	79.9000000000000057	2.5	2.99000000000000021	2.87999999999999989	0.770000000000000018	3.0299999999999998	2.43000000000000016	-3.91999999999999993	0.0342999999999999972	0.000121	Soluble	-4.33000000000000007	0.0131999999999999999	4.66000000000000011e-05	Moderately soluble	-5.09999999999999964	0.00224999999999999983	7.9100000000000005e-06	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-5.91000000000000014	0	0	0	0	0	0.550000000000000044
2045	282.25	C16H10O5	\N	\N	1	Oc1ccc2c(c1)occ(c2=O)c1ccc2c(c1)OCO2	21	16	0.0599999999999999978	1	5	1	76.0100000000000051	68.9000000000000057	2.47999999999999998	2.64000000000000012	2.89000000000000012	1.16999999999999993	3.37999999999999989	2.50999999999999979	-3.75	0.0500999999999999987	0.000176999999999999993	Soluble	-3.74000000000000021	0.0516	0.000183000000000000003	Soluble	-5.29999999999999982	0.00139999999999999999	4.97999999999999975e-06	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-6.15000000000000036	0	0	0	0	0	0.550000000000000044
2046	336.339999999999975	C20H16O5	\N	\N	1	CC(=CCc1cc2c(cc1O)oc(=O)c1c2oc2c1ccc(c2)O)C	25	17	0.149999999999999994	2	5	2	97.5300000000000011	83.8100000000000023	3.14999999999999991	4.69000000000000039	4.61000000000000032	2.87999999999999989	4.55999999999999961	3.97999999999999998	-5.25	0.00188999999999999997	5.60999999999999965e-06	Moderately soluble	-6.17999999999999972	0.000222999999999999999	6.64000000000000017e-07	Poorly soluble	-6.25999999999999979	0.000183000000000000003	5.43000000000000032e-07	Poorly soluble	High	No	No	Yes	Yes	Yes	No	No	-5.01999999999999957	0	0	0	0	0	0.550000000000000044
2091	257.329999999999984	C16H19NO2	\N	\N	1	Cc1cccc2c1C(=O)[C@H]1[C@H](O2)CCN2[C@@H]1CCC2	19	6	0.560000000000000053	0	3	0	77.4099999999999966	29.5399999999999991	2.93000000000000016	2.56000000000000005	2.04000000000000004	2.08000000000000007	2.62000000000000011	2.45000000000000018	-3.2799999999999998	0.134000000000000008	0.000522000000000000003	Soluble	-2.83000000000000007	0.382000000000000006	0.00149	Soluble	-3.54999999999999982	0.0722000000000000003	0.000281	Soluble	High	Yes	No	No	No	No	Yes	No	-6.04999999999999982	0	0	0	0	0	0.550000000000000044
2047	416.379999999999995	C21H20O9	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O	30	16	0.28999999999999998	3	9	6	104.590000000000003	160.819999999999993	1.77000000000000002	0.0100000000000000002	0.0599999999999999978	-1.52000000000000002	0.810000000000000053	0.23000000000000001	-2.62000000000000011	0.98899999999999999	0.00237000000000000014	Soluble	-2.93999999999999995	0.478999999999999981	0.00114999999999999998	Soluble	-2.9700000000000002	0.44900000000000001	0.00108000000000000001	Soluble	Low	No	No	No	No	No	No	No	-8.83000000000000007	1	0	1	1	2	0.550000000000000044
2048	406.379999999999995	C23H18O7	\N	\N	1	COc1cc2c(cc1OC)oc(=O)c1c2c(=O)c2c(o1)c1C[C@@H](Oc1cc2)C(=C)C	30	18	0.220000000000000001	3	7	0	112.310000000000002	88.1099999999999994	3.72999999999999998	4.12999999999999989	3.95000000000000018	1.82000000000000006	5.19000000000000039	3.75999999999999979	-5.20999999999999996	0.0025200000000000001	6.19999999999999993e-06	Moderately soluble	-5.69000000000000039	0.000835000000000000022	2.04999999999999985e-06	Moderately soluble	-7.57000000000000028	1.09999999999999997e-05	2.71000000000000011e-08	Poorly soluble	High	No	No	Yes	Yes	Yes	No	Yes	-5.84999999999999964	0	0	0	0	0	0.550000000000000044
2049	286.319999999999993	C17H18O4	\N	\N	1	COc1cc(OC)ccc1[C@@H]1COc2c(C1)ccc(c2)O	21	12	0.28999999999999998	3	4	1	80.0900000000000034	47.9200000000000017	3.0299999999999998	3.25999999999999979	3.12999999999999989	2.10999999999999988	3.41000000000000014	2.99000000000000021	-3.89000000000000012	0.0366000000000000006	0.000127999999999999994	Soluble	-3.93999999999999995	0.0328000000000000028	0.000115000000000000003	Soluble	-4.92999999999999972	0.00336000000000000014	1.16999999999999998e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	Yes	-5.73000000000000043	0	0	0	0	0	0.550000000000000044
2050	298.29000000000002	C17H14O5	\N	\N	1	COc1ccc2c(c1)occ(c2=O)c1ccc(c(c1)OC)O	22	16	0.119999999999999996	3	5	1	82.9300000000000068	68.9000000000000057	2.95000000000000018	2.77000000000000002	3.18000000000000016	1.01000000000000001	3.54999999999999982	2.68999999999999995	-3.77000000000000002	0.0500999999999999987	0.000167999999999999991	Soluble	-3.87000000000000011	0.0400000000000000008	0.000134000000000000005	Soluble	-5.79999999999999982	0.000473999999999999975	1.59000000000000002e-06	Moderately soluble	High	Yes	No	Yes	No	Yes	Yes	Yes	-6.15000000000000036	0	0	0	0	0	0.550000000000000044
2051	336.339999999999975	C20H16O5	\N	\N	1	Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc1c2CCC(O1)(C)C	25	17	0.25	0	5	1	95.5900000000000034	72.8100000000000023	3.10999999999999988	4.09999999999999964	4.5	2.95000000000000018	4.66000000000000014	3.85999999999999988	-5.00999999999999979	0.00327999999999999993	9.73999999999999992e-06	Moderately soluble	-5.33000000000000007	0.00155999999999999997	4.62999999999999972e-06	Moderately soluble	-6.90000000000000036	4.19999999999999977e-05	1.24999999999999994e-07	Poorly soluble	High	Yes	Yes	Yes	Yes	Yes	No	No	-5.44000000000000039	0	0	0	0	0	0.550000000000000044
2053	300.310000000000002	C17H16O5	\N	\N	1	COc1cc2c(cc1OC)OC[C@@H]1[C@H]2Oc2c1ccc(c2)O	22	12	0.28999999999999998	2	5	1	79.6599999999999966	57.1499999999999986	2.74000000000000021	2.74000000000000021	2.68999999999999995	1.55000000000000004	2.7799999999999998	2.5	-3.70000000000000018	0.0599999999999999978	0.00020000000000000001	Soluble	-3.58999999999999986	0.0763999999999999957	0.000253999999999999994	Soluble	-4.42999999999999972	0.0111999999999999999	3.74000000000000011e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-6.19000000000000039	0	0	0	0	0	0.550000000000000044
2054	410.420000000000016	C23H22O7	\N	\N	1	COc1cc2OC[C@@H]3[C@H](c2cc1OC)C(=O)c1c(O3)c2C[C@@H](Oc2cc1O)C(=C)C	30	12	0.349999999999999978	3	7	1	108.180000000000007	83.4500000000000028	3.79999999999999982	4.29999999999999982	3.41000000000000014	1.39999999999999991	3.91999999999999993	3.37000000000000011	-5.19000000000000039	0.00263999999999999999	6.43000000000000027e-06	Moderately soluble	-5.76999999999999957	0.000703999999999999982	1.70999999999999993e-06	Moderately soluble	-5.41000000000000014	0.00159000000000000005	3.86000000000000031e-06	Moderately soluble	High	No	No	No	Yes	Yes	Yes	Yes	-5.75	0	0	0	0	0	0.550000000000000044
2055	462.399999999999977	C22H22O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3occ(c(=O)c3c(c2OC)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	33	16	0.320000000000000007	5	11	6	112.599999999999994	179.280000000000001	2.31999999999999984	0.82999999999999996	0.0599999999999999978	-1.8899999999999999	0.419999999999999984	0.349999999999999978	-3.25999999999999979	0.255000000000000004	0.000550999999999999949	Soluble	-4.17999999999999972	0.0307000000000000016	6.65000000000000037e-05	Moderately soluble	-2.79000000000000004	0.747999999999999998	0.00161999999999999991	Soluble	Low	No	Yes	No	No	No	No	Yes	-8.52999999999999936	2	0	1	1	3	0.170000000000000012
2056	300.259999999999991	C16H12O6	\N	\N	1	COc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O	22	16	0.0599999999999999978	2	6	3	80.480000000000004	100.129999999999995	2.31999999999999984	2.64000000000000012	2.58999999999999986	0.220000000000000001	2.54999999999999982	2.06000000000000005	-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
2057	410.420000000000016	C23H22O7	\N	\N	1	COc1cc2c(cc1OC)OC[C@@H]1[C@@]2(O)C(=O)c2c(O1)c1C=CC(Oc1cc2)(C)C	30	12	0.349999999999999978	2	7	1	108.030000000000001	83.4500000000000028	3.56000000000000005	2.97999999999999998	2.89000000000000012	1.12999999999999989	3.60000000000000009	2.83000000000000007	-4.42999999999999972	0.0154000000000000005	3.74999999999999967e-05	Moderately soluble	-4.40000000000000036	0.0165000000000000008	4.02000000000000014e-05	Moderately soluble	-5.59999999999999964	0.00102000000000000007	2.48999999999999988e-06	Moderately soluble	High	No	Yes	No	Yes	Yes	Yes	Yes	-6.69000000000000039	0	0	0	0	0	0.550000000000000044
2058	284.259999999999991	C16H12O5	\N	\N	1	COc1ccc(cc1)c1coc2c(c1=O)cc(c(c2)O)O	21	16	0.0599999999999999978	2	5	2	78.4599999999999937	79.9000000000000057	2.39000000000000012	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
2059	410.420000000000016	C23H22O7	\N	\N	1	COc1cc2OC[C@@H]3[C@H](c2cc1OC)C(=O)c1c(O3)c2C=CC(Oc2cc1O)(C)C	30	12	0.349999999999999978	2	7	1	109.010000000000005	83.4500000000000028	3.75999999999999979	3.91000000000000014	3.60000000000000009	1.39999999999999991	3.62999999999999989	3.25999999999999979	-5.00999999999999979	0.00398999999999999962	9.73000000000000001e-06	Moderately soluble	-5.36000000000000032	0.00178999999999999992	4.34999999999999986e-06	Moderately soluble	-5.37999999999999989	0.00169999999999999991	4.13000000000000027e-06	Moderately soluble	High	No	No	Yes	Yes	Yes	Yes	Yes	-6.03000000000000025	0	0	0	0	0	0.550000000000000044
2061	300.310000000000002	C17H16O5	\N	\N	1	COc1ccc2c(c1)OC[C@]1([C@@H]2Oc2c1ccc(c2)OC)O	22	12	0.28999999999999998	2	5	1	78.6800000000000068	57.1499999999999986	2.99000000000000021	2.74000000000000021	1.97999999999999998	1.28000000000000003	2.75	2.35000000000000009	-3.70000000000000018	0.0599999999999999978	0.00020000000000000001	Soluble	-3.58999999999999986	0.0763999999999999957	0.000253999999999999994	Soluble	-4.65000000000000036	0.00679000000000000003	2.26000000000000005e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-6.19000000000000039	0	0	0	0	0	0.550000000000000044
2062	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	2.33999999999999986	2.93999999999999995	2.83000000000000007	1.87000000000000011	2.89000000000000012	2.56999999999999984	-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
2063	314.25	C16H10O7	\N	\N	1	COc1cc(O)c2c(c1)oc(=O)c1c2oc2c1cc(c(c2)O)O	23	17	0.0599999999999999978	1	7	3	82.3199999999999932	113.269999999999996	1.91999999999999993	2.37999999999999989	2.81999999999999984	0.660000000000000031	2.41999999999999993	2.04000000000000004	-3.77000000000000002	0.0534999999999999989	0.000170000000000000012	Soluble	-4.40000000000000036	0.0125000000000000007	3.97999999999999984e-05	Moderately soluble	-4.55999999999999961	0.00861999999999999919	2.73999999999999985e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-6.53000000000000025	0	0	0	0	0	0.550000000000000044
2064	338.350000000000023	C20H18O5	\N	\N	1	CC(=CCc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)O)C	25	16	0.149999999999999994	3	5	3	97.7099999999999937	90.9000000000000057	3.00999999999999979	4.58999999999999986	4.08999999999999986	1.6399999999999999	4.20999999999999996	3.50999999999999979	-5.11000000000000032	0.00266000000000000004	7.84999999999999938e-06	Moderately soluble	-6.21999999999999975	0.000202000000000000004	5.98000000000000034e-07	Poorly soluble	-5.63999999999999968	0.000773000000000000033	2.2900000000000001e-06	Moderately soluble	High	No	No	No	No	Yes	No	No	-5.11000000000000032	0	0	0	0	0	0.550000000000000044
2065	416.420000000000016	C22H24O8	\N	\N	1	COc1cc(ccc1O)[C@H]1OC[C@]2([C@@H]1CO[C@@H]2c1ccc(c(c1)OC)O)OC(=O)C	30	12	0.409999999999999976	6	8	2	105.840000000000003	103.680000000000007	2.62000000000000011	1.80000000000000004	2.22999999999999998	0.75	2.62999999999999989	2.00999999999999979	-3.45999999999999996	0.145999999999999991	0.000349999999999999996	Soluble	-3.60000000000000009	0.104999999999999996	0.000253000000000000024	Soluble	-4.44000000000000039	0.0149999999999999994	3.61000000000000033e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	Yes	-7.55999999999999961	0	0	0	0	0	0.550000000000000044
2066	372.410000000000025	C21H24O6	\N	\N	1	COc1cc(ccc1OC)C[C@H]1COC(=O)[C@@H]1Cc1ccc(c(c1)OC)O	27	12	0.380000000000000004	7	6	1	100.599999999999994	74.2199999999999989	2.64000000000000012	3.58999999999999986	2.99000000000000021	2.12000000000000011	3.99000000000000021	3.06999999999999984	-4.28000000000000025	0.0196999999999999988	5.28000000000000027e-05	Moderately soluble	-4.83999999999999986	0.00544000000000000039	1.46000000000000008e-05	Moderately soluble	-5.75	0.000656000000000000008	1.76000000000000009e-06	Moderately soluble	High	Yes	No	No	No	Yes	Yes	Yes	-6.01999999999999957	0	0	0	0	0	0.550000000000000044
2068	386.439999999999998	C22H26O6	\N	\N	1	COc1cc(C[C@@H]2COC[C@H]2Cc2ccc3c(c2)OCO3)cc(c1OC)OC	28	12	0.450000000000000011	7	6	0	104.439999999999998	55.3800000000000026	3.83000000000000007	4.00999999999999979	3.49000000000000021	2.2799999999999998	4.65000000000000036	3.64999999999999991	-4.62000000000000011	0.00932999999999999975	2.40999999999999997e-05	Moderately soluble	-4.87999999999999989	0.00515000000000000006	1.32999999999999997e-05	Moderately soluble	-6.17999999999999972	0.000253999999999999994	6.57999999999999989e-07	Poorly soluble	High	Yes	No	No	No	Yes	Yes	Yes	-5.80999999999999961	0	0	0	0	0	0.550000000000000044
2069	540.519999999999982	C28H28O11	\N	\N	1	CO[C@H]1[C@H](OC)CO[C@H]([C@@H]1O)Oc1c2COC(=O)c2c(c2c1cc(OC)c(c2)OC)c1ccc2c(c1)OCO2	39	16	0.390000000000000013	7	11	1	135.389999999999986	120.370000000000005	3.75	2.95999999999999996	2.89999999999999991	0.839999999999999969	3.60000000000000009	2.81000000000000005	-4.90000000000000036	0.00683999999999999973	1.27000000000000004e-05	Moderately soluble	-5.15000000000000036	0.00382000000000000004	7.07000000000000007e-06	Moderately soluble	-6.17999999999999972	0.000357000000000000004	6.61000000000000003e-07	Poorly soluble	High	No	No	No	No	Yes	Yes	Yes	-7.5	2	2	0	0	1	0.170000000000000012
2070	326.389999999999986	C20H22O4	\N	\N	1	C=CCc1cc(OC)c(c(c1)c1cc(CC=C)cc(c1O)OC)O	24	12	0.200000000000000011	7	4	2	97.1200000000000045	58.9200000000000017	3.75999999999999979	4.91999999999999993	4.24000000000000021	3.04000000000000004	5.12999999999999989	4.21999999999999975	-4.87000000000000011	0.00438999999999999981	1.34999999999999995e-05	Moderately soluble	-5.88999999999999968	0.000416999999999999999	1.28000000000000003e-06	Moderately soluble	-5.70000000000000018	0.000656000000000000008	2.00999999999999981e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-4.79999999999999982	0	0	0	0	0	0.550000000000000044
2071	368.379999999999995	C21H20O6	\N	\N	1	COc1cc(ccc1OC)[C@H]1[C@H]2C(=O)OC[C@@H]2Cc2c1cc1OCOc1c2	27	12	0.380000000000000004	3	6	0	96.1899999999999977	63.2199999999999989	3.12000000000000011	3.14999999999999991	2.91000000000000014	2.5299999999999998	3.74000000000000021	3.08999999999999986	-4.24000000000000021	0.0212000000000000001	5.75999999999999974e-05	Moderately soluble	-4.15000000000000036	0.0262000000000000011	7.11999999999999959e-05	Moderately soluble	-5.46999999999999975	0.00125000000000000003	3.40000000000000006e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	Yes	Yes	-6.30999999999999961	0	0	0	0	0	0.550000000000000044
