356	228.370000000000005	C14H28O2	\N	\N	1	CCCCCCCCCCCCCC(=O)O	16	0	0.930000000000000049	12	2	1	71.1800000000000068	37.2999999999999972	3.31999999999999984	6.11000000000000032	4.76999999999999957	3.68999999999999995	4.37000000000000011	4.45000000000000018	-4.30999999999999961	0.0111000000000000005	4.86000000000000022e-05	Moderately soluble	-6.66999999999999993	4.83000000000000017e-05	2.10999999999999997e-07	Poorly soluble	-4.50999999999999979	0.00711999999999999959	3.11999999999999994e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-3.35000000000000009	0	0	1	0	1	0.560000000000000053
357	312.529999999999973	C20H40O2	\N	\N	1	CCCCCCCCCCCCCCCCCCCC(=O)O	22	0	0.949999999999999956	18	2	1	100.030000000000001	37.2999999999999972	4.55999999999999961	9.28999999999999915	7.11000000000000032	5.12999999999999989	7.00999999999999979	6.62000000000000011	-6.44000000000000039	0.000112999999999999996	3.61000000000000016e-07	Poorly soluble	-9.97000000000000064	3.30999999999999986e-08	1.05999999999999996e-10	Poorly soluble	-6.91000000000000014	3.83999999999999983e-05	1.23000000000000003e-07	Poorly soluble	Low	No	No	Yes	No	No	No	No	-1.6100000000000001	1	1	1	1	2	0.560000000000000053
358	278.430000000000007	C18H30O2	\N	\N	1	CCCCC/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O	20	0	0.609999999999999987	13	2	1	88.9899999999999949	37.2999999999999972	3.97999999999999998	6.58000000000000007	5.66000000000000014	4.37999999999999989	5.58999999999999986	5.24000000000000021	-4.84999999999999964	0.00389999999999999982	1.39999999999999998e-05	Moderately soluble	-7.16000000000000014	1.91000000000000001e-05	6.8799999999999994e-08	Poorly soluble	-3.95999999999999996	0.030800000000000001	0.000111000000000000001	Soluble	High	Yes	No	Yes	No	Yes	No	No	-3.33000000000000007	1	1	1	0	1	0.560000000000000053
359	302.449999999999989	C20H30O2	\N	\N	1	CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O	22	0	0.450000000000000011	13	2	1	97.6599999999999966	37.2999999999999972	4.38999999999999968	6.29000000000000004	5.99000000000000021	4.66999999999999993	6.11000000000000032	5.49000000000000021	-4.82000000000000028	0.00457999999999999987	1.50999999999999994e-05	Moderately soluble	-6.86000000000000032	4.16000000000000015e-05	1.37999999999999992e-07	Poorly soluble	-3.31999999999999984	0.145999999999999991	0.000482000000000000007	Soluble	High	No	No	No	No	Yes	No	No	-3.68000000000000016	1	1	1	1	1	0.560000000000000053
360	596.710000000000036	C36H40N2O6	\N	\N	1	COc1cc2CCN([C@@H](c2cc1O)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1N(C)CCc2c1cc(O)c(c2)OC)C	44	24	0.330000000000000016	8	8	3	179.080000000000013	94.8599999999999994	4.84999999999999964	6.04999999999999982	4.75	3.10999999999999988	5.51999999999999957	4.84999999999999964	-7.23000000000000043	3.53999999999999999e-05	5.93000000000000016e-08	Poorly soluble	-7.82000000000000028	9.00000000000000023e-06	1.50999999999999996e-08	Poorly soluble	-9.38000000000000078	2.49999999999999989e-07	4.19999999999999997e-10	Poorly soluble	High	No	No	No	No	No	No	No	-5.63999999999999968	1	3	0	0	1	0.550000000000000044
361	582.690000000000055	C35H38N2O6	\N	\N	1	COc1cc2CCN[C@H](c2cc1O)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1N(C)CCc2c1cc(O)c(c2)OC	43	24	0.309999999999999998	8	8	4	174.180000000000007	103.650000000000006	5.12000000000000011	5.58000000000000007	4.40000000000000036	2.93000000000000016	5.54999999999999982	4.71999999999999975	-6.84999999999999964	8.16999999999999937e-05	1.4000000000000001e-07	Poorly soluble	-7.51999999999999957	1.76999999999999999e-05	3.03e-08	Poorly soluble	-9.72000000000000064	1.10000000000000006e-07	1.88999999999999994e-10	Poorly soluble	High	No	No	No	No	No	No	No	-5.88999999999999968	1	3	0	0	1	0.550000000000000044
363	301.339999999999975	C17H19NO4	\N	\N	1	COc1cc2CCN[C@H](c2cc1O)Cc1ccc(c(c1)O)O	22	12	0.28999999999999998	3	5	4	87.6400000000000006	81.9500000000000028	2.24000000000000021	2.2200000000000002	1.54000000000000004	1.28000000000000003	2.45000000000000018	1.94999999999999996	-3.31000000000000005	0.146999999999999992	0.00048700000000000002	Soluble	-3.58000000000000007	0.0800000000000000017	0.000266000000000000015	Soluble	-4.36000000000000032	0.0131000000000000005	4.35000000000000003e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-6.55999999999999961	0	0	0	0	0	0.550000000000000044
364	315.360000000000014	C18H21NO4	\N	\N	1	COc1cc2CCN[C@H](c2cc1O)Cc1ccc(c(c1)OC)O	23	12	0.330000000000000016	4	5	3	92.1099999999999994	70.9500000000000028	3.02000000000000002	2.54999999999999982	1.84000000000000008	1.52000000000000002	2.97999999999999998	2.37999999999999989	-3.52000000000000002	0.0943999999999999978	0.000299000000000000004	Soluble	-3.68999999999999995	0.0647999999999999965	0.000204999999999999996	Soluble	-5.05999999999999961	0.00275999999999999987	8.74999999999999923e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.41000000000000014	0	0	0	0	0	0.550000000000000044
365	315.360000000000014	C18H21NO4	\N	\N	1	COc1ccc(cc1O)C[C@@H]1NCCc2c1cc(O)c(c2)OC	23	12	0.330000000000000016	4	5	3	92.1099999999999994	70.9500000000000028	3.10999999999999988	2.54999999999999982	1.84000000000000008	1.52000000000000002	2.97999999999999998	2.39999999999999991	-3.52000000000000002	0.0943999999999999978	0.000299000000000000004	Soluble	-3.68999999999999995	0.0647999999999999965	0.000204999999999999996	Soluble	-5.05999999999999961	0.00275999999999999987	8.74999999999999923e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.41000000000000014	0	0	0	0	0	0.550000000000000044
366	224.340000000000003	C13H24N2O	\N	\N	1	O=C(C[C@@H]1CCCN1C)C[C@@H]1CCCN1C	16	0	0.92000000000000004	4	3	0	74.2000000000000028	23.5500000000000007	3.08999999999999986	1	0.760000000000000009	1.34000000000000008	1.77000000000000002	1.59000000000000008	-1.60000000000000009	5.67999999999999972	0.0252999999999999996	Very soluble	-1.08000000000000007	18.5	0.0825000000000000039	Very soluble	-1.85000000000000009	3.16999999999999993	0.0140999999999999997	Soluble	High	Yes	No	No	No	No	No	No	-6.95999999999999996	0	0	0	0	0	0.550000000000000044
367	334.410000000000025	C21H22N2O2	\N	\N	1	O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3	25	6	0.569999999999999951	0	3	0	101.049999999999997	32.7800000000000011	2.72999999999999998	1.92999999999999994	1.33000000000000007	2.7200000000000002	1.77000000000000002	2.08999999999999986	-3.31000000000000005	0.165000000000000008	0.000492999999999999949	Soluble	-2.24000000000000021	1.90999999999999992	0.00572000000000000026	Soluble	-3.39999999999999991	0.133000000000000007	0.000398000000000000025	Soluble	High	Yes	No	Yes	No	No	Yes	No	-6.96999999999999975	0	0	0	0	0	0.550000000000000044
369	148.199999999999989	C9H12N2	\N	\N	1	C1CN[C@H](C1)c1cccnc1	11	6	0.440000000000000002	1	2	1	48.2299999999999969	24.9200000000000017	1.84000000000000008	0.170000000000000012	0.800000000000000044	0.869999999999999996	2.04000000000000004	1.1399999999999999	-1.19999999999999996	9.26999999999999957	0.0626000000000000029	Very soluble	-0.25	83.2000000000000028	0.561000000000000054	Very soluble	-2.93000000000000016	0.172999999999999987	0.00116000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-7.08000000000000007	0	1	0	0	1	0.550000000000000044
370	324.420000000000016	C20H24N2O2	\N	\N	1	C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O	24	10	0.450000000000000011	4	4	1	99.730000000000004	45.5900000000000034	3.14999999999999991	2.87999999999999989	2.4700000000000002	2.22999999999999998	3.10999999999999988	2.77000000000000002	-3.70999999999999996	0.0632000000000000062	0.000194999999999999996	Soluble	-3.5	0.102999999999999994	0.000317999999999999978	Soluble	-4.30999999999999961	0.0160000000000000003	4.92000000000000033e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-6.23000000000000043	0	0	0	0	0	0.550000000000000044
371	294.389999999999986	C19H22N2O	\N	\N	1	C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](c1ccnc2c1cccc2)O	22	10	0.419999999999999984	3	3	1	93.2399999999999949	36.3599999999999994	2.83999999999999986	2.68000000000000016	2.45999999999999996	2.58999999999999986	3.08000000000000007	2.72999999999999998	-3.49000000000000021	0.0947999999999999954	0.000322000000000000021	Soluble	-3.10000000000000009	0.235999999999999988	0.000801999999999999979	Soluble	-4.20000000000000018	0.0188000000000000007	6.38000000000000058e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.19000000000000039	0	0	0	0	0	0.550000000000000044
372	273.329999999999984	C16H19NO3	\N	\N	1	CO[C@H]1C=CC2=CCN3[C@]2(C1)C1=CC(=O)OC[C@H]1CC3	20	0	0.560000000000000053	1	4	0	78.3700000000000045	38.7700000000000031	2.56000000000000005	0.400000000000000022	1.06000000000000005	1.78000000000000003	1.37000000000000011	1.42999999999999994	-1.71999999999999997	5.20000000000000018	0.0189999999999999995	Very soluble	-0.780000000000000027	45.2999999999999972	0.166000000000000009	Very soluble	-1.68999999999999995	5.54999999999999982	0.0202999999999999986	Soluble	High	Yes	No	No	No	No	No	No	-7.67999999999999972	0	0	0	0	0	0.550000000000000044
373	339.389999999999986	C20H21NO4	\N	\N	1	COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC	25	16	0.25	6	5	0	97.1599999999999966	49.8100000000000023	3.47999999999999998	2.95000000000000018	3.85999999999999988	1.78000000000000003	4.50999999999999979	3.31999999999999984	-3.87999999999999989	0.0446999999999999967	0.00013200000000000001	Soluble	-3.66000000000000014	0.0744999999999999968	0.000220000000000000008	Soluble	-7.09999999999999964	2.68999999999999999e-05	7.9300000000000002e-08	Poorly soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-6.28000000000000025	0	0	0	0	0	0.550000000000000044
375	214.259999999999991	C13H14N2O	\N	\N	1	COc1ccc2=C3C(=C(C)NCC3)N=c2c1	16	6	0.309999999999999998	1	2	1	69.6700000000000017	33.6199999999999974	2.43999999999999995	1.16999999999999993	-0.0599999999999999978	1.14999999999999991	3.29000000000000004	1.60000000000000009	-2.12000000000000011	1.6399999999999999	0.00764000000000000009	Soluble	-1.46999999999999997	7.24000000000000021	0.0337999999999999967	Very soluble	-4.36000000000000032	0.00945999999999999966	4.41999999999999969e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	No	-6.78000000000000025	0	0	0	0	0	0.550000000000000044
376	212.25	C13H12N2O	\N	\N	1	COc1ccc2c(c1)[nH]c1c2ccnc1C	16	13	0.149999999999999994	1	2	1	65.0600000000000023	37.9099999999999966	2.06999999999999984	3.74000000000000021	3.0299999999999998	1.56000000000000005	3.49000000000000021	2.7799999999999998	-4.04999999999999982	0.0189999999999999995	8.96999999999999984e-05	Moderately soluble	-4.23000000000000043	0.0125000000000000007	5.91e-05	Moderately soluble	-5.11000000000000032	0.00166000000000000002	7.79999999999999986e-06	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-4.94000000000000039	0	0	0	0	0	0.550000000000000044
377	608.67999999999995	C33H40N2O9	\N	\N	1	COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC	44	15	0.520000000000000018	10	10	1	165.52000000000001	117.780000000000001	5.16000000000000014	4.04000000000000004	3.4700000000000002	1.75	3.93999999999999995	3.66999999999999993	-5.75	0.00108000000000000001	1.76999999999999999e-06	Moderately soluble	-6.21999999999999975	0.000369000000000000025	6.06999999999999969e-07	Poorly soluble	-6.88999999999999968	7.8100000000000001e-05	1.28000000000000008e-07	Poorly soluble	High	No	Yes	No	No	No	No	No	-7.13999999999999968	2	3	0	0	1	0.170000000000000012
378	634.720000000000027	C35H42N2O9	\N	\N	1	COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC	46	15	0.489999999999999991	11	10	1	175.22999999999999	117.780000000000001	4.95000000000000018	4.46999999999999975	3.75999999999999979	1.78000000000000003	4.58999999999999986	3.91000000000000014	-6.11000000000000032	0.000497000000000000046	7.81999999999999988e-07	Poorly soluble	-6.66000000000000014	0.000137999999999999993	2.16999999999999998e-07	Poorly soluble	-6.95000000000000018	7.18999999999999994e-05	1.13000000000000006e-07	Poorly soluble	High	No	Yes	No	No	No	No	No	-7	2	3	1	0	1	0.170000000000000012
379	578.649999999999977	C32H38N2O8	\N	\N	1	COC(=O)[C@@H]1[C@@H](OC)[C@@H](C[C@H]2[C@@H]1C[C@H]1N(C2)CCc2c1[nH]c1c2cccc1)OC(=O)c1cc(OC)c(c(c1)OC)OC	42	15	0.5	9	9	1	159.030000000000001	108.549999999999997	3.87999999999999989	4.09999999999999964	3.45999999999999996	2.06000000000000005	3.83999999999999986	3.4700000000000002	-5.67999999999999972	0.00120999999999999992	2.07999999999999999e-06	Moderately soluble	-6.08999999999999986	0.000474999999999999999	8.22000000000000028e-07	Poorly soluble	-6.79999999999999982	9.09000000000000004e-05	1.5699999999999999e-07	Poorly soluble	High	No	Yes	No	No	No	Yes	Yes	-6.91999999999999993	1	3	0	0	0	0.550000000000000044
446	338.569999999999993	C22H42O2	\N	\N	1	CCCCCCCC/C=C\\CCCCCCCCCCCC(=O)O	24	0	0.859999999999999987	19	2	1	109.170000000000002	37.2999999999999972	5.21999999999999975	9.8100000000000005	7.66999999999999993	5.46999999999999975	7.70999999999999996	7.16999999999999993	-6.87000000000000011	4.61999999999999981e-05	1.36e-07	Poorly soluble	-10.5099999999999998	1.04000000000000005e-08	3.06000000000000029e-11	Insoluble	-6.99000000000000021	3.49999999999999969e-05	1.04000000000000005e-07	Poorly soluble	Low	No	No	Yes	No	No	No	No	-1.39999999999999991	1	1	1	1	2	0.560000000000000053
380	326.430000000000007	C20H26N2O2	\N	\N	1	CC[C@H]1[C@@H]2C[C@@H]3N([C@@H]1O)[C@@H]1[C@H]2[C@@H](O)[C@]2([C@H]3N(C)c3c2cccc3)C1	24	6	0.699999999999999956	1	3	2	99.8700000000000045	46.9399999999999977	0.770000000000000018	1.81000000000000005	0.790000000000000036	2.66999999999999993	0.729999999999999982	1.35000000000000009	-3.12000000000000011	0.245999999999999996	0.00075299999999999998	Soluble	-2.41999999999999993	1.25	0.0038400000000000001	Soluble	-2.25	1.82000000000000006	0.00557999999999999989	Soluble	High	Yes	Yes	No	No	No	Yes	No	-7.00999999999999979	0	0	0	0	0	0.550000000000000044
381	397.639999999999986	C27H43NO	\N	\N	1	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H]3[C@@H]2[C@H](C)[C@@H]2N3C[C@H](CC2)C)C)C1)C	29	0	0.930000000000000049	0	2	1	126.200000000000003	23.4699999999999989	4.5	6.08999999999999986	5.26999999999999957	5.41000000000000014	3.83000000000000007	5.01999999999999957	-6.13999999999999968	0.000286999999999999983	7.20999999999999958e-07	Poorly soluble	-6.36000000000000032	0.000172000000000000007	4.33000000000000026e-07	Poorly soluble	-4.13999999999999968	0.0286000000000000004	7.18999999999999994e-05	Moderately soluble	High	Yes	No	No	No	No	No	No	-4.40000000000000036	1	1	0	0	1	0.550000000000000044
382	673.789999999999964	C36H51NO11	\N	\N	1	COc1ccc(cc1OC)C(=O)O[C@H]1CC[C@]2([C@H]3[C@]1(O)O[C@]12C[C@@]2([C@@]([C@@H]1CC3)(O)C[C@@H]([C@]1([C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)O)O)O)C	48	6	0.810000000000000053	5	12	6	175.719999999999999	178.610000000000014	-1.12999999999999989	0.959999999999999964	0.979999999999999982	0.810000000000000053	1.44999999999999996	0.609999999999999987	-4.37999999999999989	0.0277999999999999983	4.11999999999999986e-05	Moderately soluble	-4.29999999999999982	0.0338999999999999996	5.03000000000000029e-05	Moderately soluble	-3.68000000000000016	0.140999999999999986	0.000209000000000000012	Soluble	Low	No	Yes	No	No	No	No	No	-9.73000000000000043	3	3	1	1	5	0.170000000000000012
384	211.259999999999991	C11H17NO3	\N	\N	1	NCCc1cc(OC)c(c(c1)OC)OC	15	6	0.450000000000000011	5	4	1	58.3999999999999986	53.7100000000000009	2.37000000000000011	0.780000000000000027	1.20999999999999996	0.930000000000000049	1.85000000000000009	1.42999999999999994	-1.6100000000000001	5.21999999999999975	0.0246999999999999997	Very soluble	-1.48999999999999999	6.86000000000000032	0.0325000000000000011	Very soluble	-3.24000000000000021	0.121999999999999997	0.000577999999999999955	Soluble	High	Yes	No	No	No	No	No	No	-7.03000000000000025	0	0	0	0	0	0.550000000000000044
385	272.25	C15H12O5	\N	\N	1	Oc1ccc(cc1)/C=C/C(=O)c1c(O)cc(cc1O)O	20	12	0	3	5	4	74.3400000000000034	97.9899999999999949	1.03000000000000003	2.81999999999999984	2.29999999999999982	1.02000000000000002	2	1.83000000000000007	-3.54999999999999982	0.0766000000000000014	0.000281	Soluble	-4.54000000000000004	0.00793999999999999914	2.92000000000000016e-05	Moderately soluble	-2.64999999999999991	0.604999999999999982	0.00222000000000000018	Soluble	High	No	No	Yes	No	Yes	No	Yes	-5.95999999999999996	0	0	0	0	0	0.550000000000000044
386	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	1.33000000000000007	0.359999999999999987	1.21999999999999997	0.239999999999999991	0.979999999999999982	0.82999999999999996	-2.2200000000000002	1.73999999999999999	0.00598000000000000007	Soluble	-2.24000000000000021	1.65999999999999992	0.00572000000000000026	Soluble	-2.14000000000000012	2.08999999999999986	0.00719000000000000021	Soluble	High	No	Yes	No	No	No	No	No	-7.82000000000000028	0	0	0	0	0	0.550000000000000044
387	270.240000000000009	C15H10O5	\N	\N	1	Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O	20	16	0	1	5	3	73.9899999999999949	90.9000000000000057	1.90999999999999992	2.66999999999999993	2.58000000000000007	0.520000000000000018	2.52000000000000002	2.04000000000000004	-3.7200000000000002	0.0510999999999999996	0.000189000000000000013	Soluble	-4.23000000000000043	0.0159000000000000009	5.87999999999999995e-05	Moderately soluble	-4.40000000000000036	0.0106999999999999994	3.94000000000000022e-05	Moderately soluble	High	No	No	Yes	No	No	Yes	Yes	-6.04999999999999982	0	0	0	0	0	0.550000000000000044
388	134.219999999999999	C10H14	\N	\N	1	Cc1ccc(cc1)C(C)C	10	6	0.400000000000000022	1	0	0	45.990000000000002	0	2.50999999999999979	4.09999999999999964	3.12000000000000011	4.46999999999999975	3.29000000000000004	3.5	-3.62999999999999989	0.0311999999999999986	0.000232999999999999999	Soluble	-3.81000000000000005	0.0210000000000000013	0.000155999999999999997	Soluble	-3.56999999999999984	0.0357999999999999985	0.000266999999999999985	Soluble	Low	Yes	No	No	No	No	Yes	No	-4.20999999999999996	1	1	0	0	2	0.550000000000000044
390	148.199999999999989	C10H12O	\N	\N	1	O=Cc1ccc(cc1)C(C)C	11	6	0.299999999999999989	2	1	0	46.4099999999999966	17.0700000000000003	2.0299999999999998	2.37000000000000011	2.62000000000000011	2.39999999999999991	2.95999999999999996	2.47999999999999998	-2.52000000000000002	0.444000000000000006	0.00300000000000000006	Soluble	-2.37000000000000011	0.634000000000000008	0.00427999999999999995	Soluble	-3.14999999999999991	0.104999999999999996	0.000711000000000000043	Soluble	High	Yes	No	Yes	No	No	No	No	-5.51999999999999957	0	1	0	0	2	0.550000000000000044
391	650.669999999999959	C32H42O14	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]([C@]2(C)CC[C@H]3[C@@]([C@@]42O[C@@H]4C(=O)O)(C)C(=O)C[C@@H]2[C@]43COC(=O)C[C@@H]4OC2(C)C)c2cocc2)[C@@H]([C@H]([C@@H]1O)O)O	46	5	0.780000000000000027	6	14	5	152.319999999999993	214.949999999999989	1.92999999999999994	-0.609999999999999987	0.160000000000000003	-1.53000000000000003	1.06000000000000005	0.200000000000000011	-3.16999999999999993	0.435999999999999999	0.000668999999999999998	Soluble	-3.43000000000000016	0.240999999999999992	0.000369999999999999995	Soluble	-2.47999999999999998	2.14999999999999991	0.00329999999999999998	Soluble	Low	No	Yes	No	No	No	No	No	-10.6999999999999993	2	3	1	1	3	0.110000000000000001
392	305.410000000000025	C18H27NO3	\N	\N	1	COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O	22	6	0.5	10	3	2	90.519999999999996	58.5600000000000023	3.14999999999999991	3.58000000000000007	3.64000000000000012	2.68999999999999995	4.09999999999999964	3.43000000000000016	-3.5299999999999998	0.0899999999999999967	0.000295000000000000015	Soluble	-4.5	0.00974999999999999999	3.19000000000000029e-05	Moderately soluble	-4.87000000000000011	0.00408000000000000029	1.34000000000000005e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	Yes	-5.62000000000000011	0	0	0	0	0	0.550000000000000044
393	764.940000000000055	C41H64O13	\N	\N	1	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@@H](O)[C@H]([C@H](O1)C)O[C@@H]1C[C@H](O)[C@H]([C@@H](O1)C)O[C@@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O)O	54	0	0.930000000000000049	7	13	5	194.939999999999998	182.830000000000013	4.99000000000000021	1.85000000000000009	3.25	1.12000000000000011	1.54000000000000004	2.54999999999999982	-5.29000000000000004	0.00395999999999999998	5.16999999999999963e-06	Moderately soluble	-5.30999999999999961	0.00373999999999999983	4.88999999999999977e-06	Moderately soluble	-2.25999999999999979	4.23000000000000043	0.00553000000000000019	Soluble	Low	No	Yes	No	No	No	No	No	-9.65000000000000036	2	3	1	1	4	0.170000000000000012
394	780.940000000000055	C41H64O14	\N	\N	1	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O	55	0	0.930000000000000049	7	14	6	196.099999999999994	203.060000000000002	4.62000000000000011	1.26000000000000001	2.2200000000000002	0.380000000000000004	0.650000000000000022	1.83000000000000007	-5.00999999999999979	0.00757000000000000034	9.6900000000000004e-06	Moderately soluble	-5.12000000000000011	0.00587999999999999981	7.5299999999999999e-06	Moderately soluble	-1.42999999999999994	29.3000000000000007	0.0374999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-10.1699999999999999	3	3	1	1	5	0.170000000000000012
395	314.45999999999998	C21H30O2	\N	\N	1	CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C	23	6	0.619999999999999996	4	2	1	97.9099999999999966	29.4600000000000009	4.04999999999999982	6.96999999999999975	5.74000000000000021	4.38999999999999968	5.41000000000000014	5.30999999999999961	-6.11000000000000032	0.000243999999999999995	7.77000000000000036e-07	Poorly soluble	-7.40000000000000036	1.23999999999999999e-05	3.95999999999999973e-08	Poorly soluble	-5.92999999999999972	0.000369000000000000025	1.17000000000000002e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	Yes	No	-3.27000000000000002	1	1	0	0	1	0.550000000000000044
397	180.159999999999997	C7H8N4O2	\N	\N	1	Cn1c(=O)n(C)c2c(c1=O)[nH]cn2	13	9	0.28999999999999998	0	3	1	47.1400000000000006	72.6800000000000068	0.530000000000000027	-0.0200000000000000004	-1.04000000000000004	-0.520000000000000018	0.119999999999999996	-0.190000000000000002	-1.45999999999999996	6.29000000000000004	0.0349000000000000005	Very soluble	-1.06000000000000005	15.8000000000000007	0.087800000000000003	Very soluble	-1.10000000000000009	14.1999999999999993	0.0788999999999999979	Soluble	High	No	No	No	No	No	No	No	-7.41000000000000014	0	1	0	0	1	0.550000000000000044
440	127.189999999999998	C6H13N3	\N	\N	1	CC(=CCN=C(N)N)C	9	0	0.5	2	1	2	39.5799999999999983	64.4000000000000057	1.33000000000000007	0.349999999999999978	0.23000000000000001	0.689999999999999947	-0.0700000000000000067	0.5	-0.719999999999999973	24.3999999999999986	0.192000000000000004	Very soluble	-1.27000000000000002	6.87999999999999989	0.0541000000000000023	Very soluble	-0.479999999999999982	41.7000000000000028	0.328000000000000014	Soluble	High	No	No	No	No	No	No	No	-6.83000000000000007	0	2	0	0	1	0.550000000000000044
398	810.970000000000027	C46H58N4O9	\N	\N	1	COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(C[C@@H]2CN(CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CCN1[C@@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1	59	15	0.589999999999999969	10	11	3	232.52000000000001	154.099999999999994	5.25	3.87999999999999989	2.85000000000000009	2.35000000000000009	4.71999999999999975	3.81000000000000005	-6.83999999999999986	0.000116999999999999998	1.43999999999999992e-07	Poorly soluble	-6.80999999999999961	0.000125000000000000003	1.54000000000000003e-07	Poorly soluble	-8.46000000000000085	2.79999999999999987e-06	3.44999999999999987e-09	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-8.49000000000000021	2	3	1	1	4	0.170000000000000012
399	824.960000000000036	C46H56N4O10	\N	\N	1	O=CN1c2cc(OC)c(cc2[C@]23[C@@H]1[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@]1([C@@H]3N(CC2)CC=C1)CC)[C@]1(C[C@@H]2CN(CCc3c1[nH]c1c3cccc1)C[C@](C2)(O)CC)C(=O)OC	60	15	0.569999999999999951	11	12	3	233.110000000000014	171.169999999999987	4.70000000000000018	3.12999999999999989	2.37999999999999989	2.35000000000000009	4.42999999999999972	3.39999999999999991	-6.38999999999999968	0.000339	4.11000000000000014e-07	Poorly soluble	-6.38999999999999968	0.000333000000000000017	4.04000000000000018e-07	Poorly soluble	-8	8.25000000000000063e-06	1.00000000000000002e-08	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-9.10999999999999943	2	3	2	1	4	0.170000000000000012
400	152.22999999999999	C10H16O	\N	\N	1	CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C	11	0	0.800000000000000044	1	1	0	46.6000000000000014	12.5299999999999994	2.62999999999999989	3.20000000000000018	2.52000000000000002	2.29999999999999982	2.89000000000000012	2.70999999999999996	-2.72999999999999998	0.281000000000000028	0.00185000000000000008	Soluble	-3.12999999999999989	0.112000000000000002	0.000733000000000000036	Soluble	-2.00999999999999979	1.47999999999999998	0.00974999999999999999	Soluble	High	Yes	No	No	No	No	No	No	-4.95999999999999996	0	1	0	0	2	0.550000000000000044
401	368.379999999999995	C21H20O6	\N	\N	1	COc1cc2occ(c(=O)c2c(c1CC=C(C)C)O)c1ccc(cc1O)O	27	16	0.190000000000000002	4	6	3	104.200000000000003	100.129999999999995	3.16999999999999993	4.55999999999999961	4.08999999999999986	1.31000000000000005	4.28000000000000025	3.47999999999999998	-5.16999999999999993	0.00248	6.73999999999999984e-06	Moderately soluble	-6.38999999999999968	0.000152000000000000008	4.11000000000000014e-07	Poorly soluble	-5.75	0.000657999999999999948	1.79000000000000001e-06	Moderately soluble	High	No	No	No	No	Yes	No	No	-5.30999999999999961	0	0	0	0	0	0.550000000000000044
402	523.529999999999973	C25H33NO11	\N	\N	1	C=C[C@H]1[C@@H](OC=C([C@H]1C[C@@H]1NCCc2c1cc(O)c(c2)O)C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	37	6	0.560000000000000053	8	12	7	130.75	187.400000000000006	2.87000000000000011	-0.270000000000000018	-1.37999999999999989	-1.32000000000000006	-0.57999999999999996	-0.140000000000000013	-2.50999999999999979	1.62999999999999989	0.00310999999999999992	Soluble	-3.20999999999999996	0.325000000000000011	0.000622000000000000049	Soluble	-0.630000000000000004	123	0.234000000000000014	Soluble	Low	No	Yes	No	No	No	No	No	-9.6899999999999995	3	3	1	1	3	0.110000000000000001
404	340.420000000000016	C20H24N2O3	\N	\N	1	C=C[C@@]1(O)CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O	25	10	0.450000000000000011	4	5	2	100.930000000000007	65.8199999999999932	2.60999999999999988	1.80000000000000004	1.58000000000000007	1.39999999999999991	2.60999999999999988	2	-3.12000000000000011	0.260000000000000009	0.000764999999999999947	Soluble	-2.79999999999999982	0.538000000000000034	0.00158000000000000002	Soluble	-3.93999999999999995	0.0388000000000000012	0.000114000000000000006	Soluble	High	Yes	Yes	No	No	No	Yes	No	-7.09999999999999964	0	0	0	0	0	0.550000000000000044
405	853.909999999999968	C47H51NO14	\N	\N	1	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C	62	18	0.450000000000000011	15	14	4	218.960000000000008	221.289999999999992	3.60000000000000009	3.66000000000000014	3.41000000000000014	1.69999999999999996	4.58999999999999986	3.39000000000000012	-6.66000000000000014	0.000184999999999999997	2.16000000000000002e-07	Poorly soluble	-8	8.61000000000000057e-06	1.00999999999999995e-08	Poorly soluble	-8.80000000000000071	1.34000000000000009e-06	1.56999999999999996e-09	Poorly soluble	Low	No	Yes	No	No	No	No	No	-8.91000000000000014	2	3	2	1	3	0.170000000000000012
406	208.259999999999991	C11H16N2O2	\N	\N	1	CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C	15	5	0.640000000000000013	3	3	0	56.4699999999999989	44.1199999999999974	1.80000000000000004	0.119999999999999996	1.15999999999999992	0.900000000000000022	1.62999999999999989	1.12000000000000011	-1.26000000000000001	11.5999999999999996	0.0555000000000000007	Very soluble	-0.599999999999999978	52	0.25	Very soluble	-2.2799999999999998	1.10000000000000009	0.00527000000000000038	Soluble	High	Yes	No	No	No	No	No	No	-7.49000000000000021	0	0	0	0	0	0.550000000000000044
407	337.45999999999998	C22H27NO2	\N	\N	1	O[C@H](c1ccccc1)C[C@@H]1CCC[C@@H](N1C)CC(=O)c1ccccc1	25	12	0.409999999999999976	6	3	1	105.439999999999998	40.5399999999999991	3.10999999999999988	3.75999999999999979	3.5299999999999998	2.95000000000000018	4.00999999999999979	3.4700000000000002	-4.25999999999999979	0.0184999999999999991	5.48999999999999995e-05	Moderately soluble	-4.29999999999999982	0.0166999999999999996	4.95999999999999994e-05	Moderately soluble	-5.75999999999999979	0.000580000000000000003	1.72000000000000005e-06	Moderately soluble	High	Yes	No	Yes	No	No	Yes	No	-5.69000000000000039	0	0	0	0	0	0.550000000000000044
408	180.159999999999997	C7H8N4O2	\N	\N	1	Cn1cnc2c1c(=O)[nH]c(=O)n2C	13	9	0.28999999999999998	0	3	1	47.1400000000000006	72.6800000000000068	1.21999999999999997	-0.780000000000000027	-1.04000000000000004	-0.119999999999999996	0.119999999999999996	-0.119999999999999996	-0.979999999999999982	19	0.104999999999999996	Very soluble	-0.270000000000000018	97.2000000000000028	0.539000000000000035	Very soluble	-1.10000000000000009	14.1999999999999993	0.0788999999999999979	Soluble	High	No	No	No	No	No	No	No	-7.95000000000000018	0	1	0	0	1	0.550000000000000044
409	194.189999999999998	C8H10N4O2	\N	\N	1	Cn1cnc2c1c(=O)n(C)c(=O)n2C	14	9	0.380000000000000004	0	3	0	52.0399999999999991	61.8200000000000003	1.79000000000000004	-0.0700000000000000067	-1.03000000000000003	0.220000000000000001	-0.5	0.0800000000000000017	-1.47999999999999998	6.5	0.033500000000000002	Very soluble	-0.780000000000000027	32.5	0.16700000000000001	Very soluble	-0.67000000000000004	41.5	0.213999999999999996	Soluble	High	No	No	No	No	No	No	No	-7.53000000000000025	0	1	0	0	1	0.550000000000000044
411	323.430000000000007	C20H25N3O	\N	\N	1	CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC	24	9	0.450000000000000011	4	2	1	102.299999999999997	39.3400000000000034	2.99000000000000021	2.95000000000000018	2.5299999999999998	2.33000000000000007	3.02000000000000002	2.75999999999999979	-3.7200000000000002	0.0619999999999999996	0.000192000000000000005	Soluble	-3.43999999999999995	0.117999999999999994	0.000364000000000000011	Soluble	-4.79999999999999982	0.00508999999999999991	1.56999999999999988e-05	Moderately soluble	High	Yes	Yes	No	Yes	No	Yes	No	-6.17999999999999972	0	0	0	0	0	0.550000000000000044
412	325.399999999999977	C19H23N3O2	\N	\N	1	OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C	24	9	0.419999999999999984	4	3	3	98.5600000000000023	68.3599999999999994	2.75999999999999979	1.78000000000000003	1.14999999999999991	1.27000000000000002	2.29000000000000004	1.85000000000000009	-2.99000000000000021	0.331000000000000016	0.00102000000000000007	Soluble	-2.83000000000000007	0.47699999999999998	0.00146999999999999995	Soluble	-4.20000000000000018	0.0206000000000000003	6.32000000000000048e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-7.01999999999999957	0	0	0	0	0	0.550000000000000044
413	581.659999999999968	C33H35N5O5	\N	\N	1	O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O	43	15	0.419999999999999984	5	6	3	170.340000000000003	118.209999999999994	4.49000000000000021	3.06000000000000005	0.849999999999999978	1.43999999999999995	2.08999999999999986	2.37999999999999989	-5.29999999999999982	0.0028999999999999998	4.98999999999999966e-06	Moderately soluble	-5.20999999999999996	0.00358999999999999988	6.18000000000000012e-06	Moderately soluble	-6.61000000000000032	0.000142000000000000009	2.44999999999999984e-07	Poorly soluble	High	No	Yes	No	No	Yes	Yes	Yes	-7.67999999999999972	1	3	0	0	1	0.550000000000000044
414	575.700000000000045	C32H41N5O5	\N	\N	1	CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C	42	9	0.589999999999999969	6	6	3	169.889999999999986	118.209999999999994	3.60999999999999988	3.75	1.29000000000000004	1.46999999999999997	2.35999999999999988	2.5	-5.53000000000000025	0.00168000000000000007	2.91999999999999999e-06	Moderately soluble	-5.91999999999999993	0.000684000000000000038	1.19000000000000004e-06	Moderately soluble	-5.36000000000000032	0.00251000000000000008	4.36999999999999966e-06	Moderately soluble	High	No	Yes	No	No	Yes	Yes	Yes	-7.15000000000000036	1	3	0	0	0	0.550000000000000044
415	609.730000000000018	C37H41N2O6	\N	\N	1	COc1cc2CCN([C@@H]3c2cc1Oc1cc(ccc1O)C[C@@H]1c2c(CC[N+]1(C)C)cc(c(c2Oc1ccc(C3)cc1)O)OC)C	45	24	0.349999999999999978	2	7	2	183	80.6200000000000045	1.53000000000000003	6.03000000000000025	5.29000000000000004	-0.130000000000000004	5.03000000000000025	3.54999999999999982	-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
416	314.45999999999998	C21H30O2	\N	\N	1	CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C	23	6	0.520000000000000018	6	2	2	99.8499999999999943	40.4600000000000009	3.89999999999999991	6.51999999999999957	5.84999999999999964	4.30999999999999961	5.41999999999999993	5.20000000000000018	-5.69000000000000039	0.000635999999999999955	2.02000000000000014e-06	Moderately soluble	-7.16999999999999993	2.13999999999999984e-05	6.80999999999999944e-08	Poorly soluble	-5.41000000000000014	0.00120999999999999992	3.86000000000000031e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	Yes	Yes	-3.58999999999999986	1	1	0	0	1	0.550000000000000044
417	310.430000000000007	C21H26O2	\N	\N	1	CCCCCc1cc(O)c2c(c1)OC(c1c2cc(C)cc1)(C)C	23	12	0.429999999999999993	4	2	1	97.0999999999999943	29.4600000000000009	3.93999999999999995	6.11000000000000032	5.62000000000000011	4.23000000000000043	6.15000000000000036	5.20999999999999996	-5.74000000000000021	0.000569999999999999977	1.83999999999999996e-06	Moderately soluble	-6.50999999999999979	9.59e-05	3.08999999999999974e-07	Poorly soluble	-7.49000000000000021	1.00000000000000008e-05	3.21999999999999972e-08	Poorly soluble	High	Yes	Yes	Yes	Yes	No	Yes	No	-3.85999999999999988	1	1	0	0	1	0.550000000000000044
418	399.439999999999998	C22H25NO6	\N	\N	1	COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)OC	29	13	0.359999999999999987	6	6	1	109.359999999999999	83.0900000000000034	3.20999999999999996	1.03000000000000003	2.54999999999999982	1.02000000000000002	3.89999999999999991	2.33999999999999986	-2.89999999999999991	0.502000000000000002	0.00126000000000000005	Soluble	-2.35999999999999988	1.71999999999999997	0.00432000000000000006	Soluble	-6.66000000000000014	8.76000000000000015e-05	2.18999999999999989e-07	Poorly soluble	High	No	Yes	No	No	No	Yes	Yes	-8.00999999999999979	0	0	0	0	0	0.550000000000000044
419	394.420000000000016	C23H22O6	\N	\N	1	COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C	29	12	0.349999999999999978	3	6	0	106.150000000000006	63.2199999999999989	3.83000000000000007	4.09999999999999964	3.70000000000000018	1.92999999999999994	4.38999999999999968	3.58999999999999986	-4.98000000000000043	0.00415999999999999964	1.06000000000000002e-05	Moderately soluble	-5.12999999999999989	0.0028999999999999998	7.35999999999999984e-06	Moderately soluble	-6	0.000393000000000000012	9.95000000000000003e-07	Poorly soluble	High	Yes	No	No	Yes	Yes	Yes	Yes	-5.79000000000000004	0	0	0	0	0	0.550000000000000044
420	328.449999999999989	C21H28O3	\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)C	24	0	0.520000000000000018	7	3	0	98.1599999999999966	43.3699999999999974	4.21999999999999975	5.90000000000000036	4.55999999999999961	3.62000000000000011	5.26999999999999957	4.71999999999999975	-5.12999999999999989	0.00242999999999999987	7.3900000000000004e-06	Moderately soluble	-6.58000000000000007	8.55000000000000047e-05	2.59999999999999999e-07	Poorly soluble	-3.87999999999999989	0.0427999999999999978	0.000129999999999999989	Soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-4.11000000000000032	0	0	0	0	1	0.550000000000000044
421	408.399999999999977	C20H24O9	\N	\N	1	O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13[C@]4(C2)[C@H](OC3=O)C[C@H]([C@@]24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C	29	0	0.849999999999999978	1	9	2	92.1299999999999955	128.590000000000003	1.12000000000000011	0.589999999999999969	-0.340000000000000024	0.82999999999999996	0.810000000000000053	0.599999999999999978	-2.68000000000000016	0.857999999999999985	0.00209999999999999987	Soluble	-2.85999999999999988	0.559000000000000052	0.00136999999999999991	Soluble	-1.59000000000000008	10.5999999999999996	0.0258999999999999994	Soluble	High	No	Yes	No	No	No	No	No	-8.36999999999999922	0	0	0	0	0	0.550000000000000044
423	440.399999999999977	C20H24O11	\N	\N	1	O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13[C@]4([C@@H]2O)[C@H](OC3=O)[C@@H]([C@H]([C@@]24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C)O	31	0	0.849999999999999978	1	11	4	94.4500000000000028	169.050000000000011	1.28000000000000003	-1.3600000000000001	-2.39999999999999991	-0.699999999999999956	-0.959999999999999964	-0.82999999999999996	-1.64999999999999991	9.91000000000000014	0.0224999999999999992	Very soluble	-1.68999999999999995	8.99000000000000021	0.0204000000000000015	Very soluble	0.0599999999999999978	500	1.1399999999999999	Soluble	Low	No	Yes	No	No	No	No	No	-9.94999999999999929	1	1	1	1	2	0.550000000000000044
424	424.399999999999977	C20H24O10	\N	\N	1	O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13[C@]4(C2)[C@H](OC3=O)[C@@H]([C@H]([C@@]24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C)O	30	0	0.849999999999999978	1	10	3	93.2900000000000063	148.819999999999993	1.12000000000000011	-0.380000000000000004	-1.37000000000000011	0.0599999999999999978	-0.0700000000000000067	-0.130000000000000004	-2.16999999999999993	2.89999999999999991	0.00683000000000000013	Soluble	-2.2799999999999998	2.2200000000000002	0.00521999999999999981	Soluble	-0.770000000000000018	72.7000000000000028	0.171000000000000013	Soluble	Low	No	Yes	No	No	No	No	No	-9.16000000000000014	0	1	1	1	0	0.550000000000000044
425	326.300000000000011	C15H18O8	\N	\N	1	O=C1O[C@@H]2[C@@]3(C1)C(=O)O[C@H]1[C@]3([C@](C2)(O)C(C)(C)C)[C@H](O)C(=O)O1	23	0	0.800000000000000044	1	8	2	71.2000000000000028	119.359999999999999	1.02000000000000002	-0.270000000000000018	-0.739999999999999991	0.419999999999999984	0.569999999999999951	0.200000000000000011	-1.62999999999999989	7.70000000000000018	0.0235999999999999995	Very soluble	-1.78000000000000003	5.45000000000000018	0.0166999999999999996	Very soluble	-1.12000000000000011	24.8000000000000007	0.0758999999999999952	Soluble	High	No	Yes	No	No	No	No	No	-8.48000000000000043	0	1	0	0	0	0.550000000000000044
426	504.439999999999998	C30H16O8	\N	\N	1	Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O	38	26	0.0700000000000000067	0	8	6	142.909999999999997	155.52000000000001	3.12999999999999989	6.90000000000000036	5.38999999999999968	1.3600000000000001	5.87999999999999989	4.53000000000000025	-7.82000000000000028	7.61999999999999989e-06	1.50999999999999996e-08	Poorly soluble	-9.98000000000000043	5.31999999999999999e-08	1.04999999999999999e-10	Poorly soluble	-8.24000000000000021	2.91000000000000009e-06	5.76999999999999972e-09	Poorly soluble	Low	No	No	No	Yes	Yes	No	No	-4.48000000000000043	2	2	1	1	4	0.170000000000000012
427	248.319999999999993	C15H20O3	\N	\N	1	CC1=CCC[C@@]2(C)O[C@H]2[C@@H]2[C@@H](CC1)C(=C)C(=O)O2	18	0	0.67000000000000004	0	3	0	69.3400000000000034	38.8299999999999983	2.79999999999999982	2.33999999999999986	2.75999999999999979	2.4700000000000002	3.12000000000000011	2.70000000000000018	-2.85000000000000009	0.347999999999999976	0.00139999999999999999	Soluble	-2.79000000000000004	0.39800000000000002	0.00160000000000000008	Soluble	-2.79000000000000004	0.402000000000000024	0.00161999999999999991	Soluble	High	Yes	No	No	No	No	No	No	-6.15000000000000036	0	0	0	0	0	0.550000000000000044
428	482.439999999999998	C25H22O10	\N	\N	1	OC[C@H]1Oc2ccc(cc2O[C@@H]1c1ccc(c(c1)OC)O)[C@@H]1Oc2cc(O)cc(c2C(=O)[C@H]1O)O	35	18	0.239999999999999991	4	10	5	120.549999999999997	155.139999999999986	2.75	1.89999999999999991	1.70999999999999996	-0.400000000000000022	1.91999999999999993	1.58000000000000007	-4.13999999999999968	0.0345999999999999988	7.16999999999999945e-05	Moderately soluble	-4.78000000000000025	0.00799000000000000057	1.66000000000000003e-05	Moderately soluble	-4.5	0.0152999999999999994	3.16000000000000024e-05	Moderately soluble	Low	No	No	No	No	No	No	Yes	-7.88999999999999968	0	1	1	1	1	0.550000000000000044
429	518.549999999999955	C30H30O8	\N	\N	1	O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C	38	20	0.270000000000000018	5	8	6	148.900000000000006	155.52000000000001	3.35999999999999988	6.92999999999999972	6.37999999999999989	2.04999999999999982	6.5	5.04000000000000004	-7.48000000000000043	1.72000000000000013e-05	3.30999999999999986e-08	Poorly soluble	-10.0099999999999998	5.08999999999999992e-08	9.81000000000000024e-11	Insoluble	-6.92999999999999972	6.01999999999999996e-05	1.16000000000000006e-07	Poorly soluble	Low	No	No	No	Yes	Yes	No	No	-4.54000000000000004	2	3	1	2	3	0.170000000000000012
431	270.279999999999973	C12H18N2O5	\N	\N	1	O=C(N[C@H](C(=O)O)C[C@@H]1CC1=C)CC[C@@H](C(=O)O)N	19	0	0.57999999999999996	9	6	4	66.4599999999999937	129.719999999999999	0.880000000000000004	-3.2200000000000002	-0.28999999999999998	-2.70000000000000018	0.0599999999999999978	-1.05000000000000004	1.1100000000000001	3460	12.8000000000000007	Highly soluble	1.07000000000000006	3150	11.5999999999999996	Highly soluble	-0.569999999999999951	73.2999999999999972	0.271000000000000019	Soluble	High	No	Yes	No	No	No	No	No	-10.2300000000000004	0	0	0	0	1	0.560000000000000053
432	340.579999999999984	C22H44O2	\N	\N	1	CCCCCCCCCCCCCCCCCCCCCC(=O)O	24	0	0.949999999999999956	20	2	1	109.640000000000001	37.2999999999999972	5.25999999999999979	10.3699999999999992	7.88999999999999968	5.58000000000000007	7.88999999999999968	7.40000000000000036	-7.16000000000000014	2.33000000000000005e-05	6.84000000000000037e-08	Poorly soluble	-11.0999999999999996	2.72999999999999988e-09	8.03000000000000032e-12	Insoluble	-7.70000000000000018	6.74999999999999975e-06	1.97999999999999986e-08	Poorly soluble	Low	No	No	Yes	No	No	No	No	-1.01000000000000001	1	1	1	1	2	0.560000000000000053
433	280.449999999999989	C18H32O2	\N	\N	1	OC(=O)CCCCCCCCCCCC[C@@H]1C=CCC1	20	0	0.82999999999999996	13	2	1	87.8199999999999932	37.2999999999999972	3.95000000000000018	6.98000000000000043	5.71999999999999975	4.16999999999999993	5.20000000000000018	5.20999999999999996	-5.12000000000000011	0.00213999999999999998	7.61999999999999989e-06	Moderately soluble	-7.58000000000000007	7.42000000000000011e-06	2.64000000000000015e-08	Poorly soluble	-4.79999999999999982	0.00447000000000000001	1.59000000000000002e-05	Moderately soluble	High	Yes	No	Yes	No	Yes	No	No	-3.04999999999999982	1	1	1	0	1	0.560000000000000053
434	157.210000000000008	C8H15NO2	\N	\N	1	[O-]C(=O)[C@H]1CCCC[N+]1(C)C	11	0	0.880000000000000004	1	2	0	46.1499999999999986	40.1300000000000026	-1.62999999999999989	0.75	-1.02000000000000002	-3	0.299999999999999989	-0.92000000000000004	-1.21999999999999997	9.44999999999999929	0.0601000000000000006	Very soluble	-1.16999999999999993	10.5999999999999996	0.0672999999999999987	Very soluble	-1.22999999999999998	9.30000000000000071	0.0592000000000000026	Soluble	High	No	No	No	No	No	No	No	-6.73000000000000043	0	2	0	0	1	0.550000000000000044
435	141.169999999999987	C7H11NO2	\N	\N	1	N[C@H](C(=O)O)C[C@@H]1CC1=C	10	0	0.569999999999999951	3	3	2	37.6499999999999986	63.3200000000000003	1.1100000000000001	-2.45000000000000018	0.359999999999999987	-1.96999999999999997	0.409999999999999976	-0.510000000000000009	1.03000000000000003	1500	10.5999999999999996	Highly soluble	1.65999999999999992	6470	45.8999999999999986	Highly soluble	-0.309999999999999998	69.5	0.491999999999999993	Soluble	High	No	No	No	No	No	No	No	-8.90000000000000036	0	2	0	0	2	0.550000000000000044
436	204.27000000000001	C12H16N2O	\N	\N	1	CN(CCc1c[nH]c2c1cc(O)cc2)C	15	9	0.330000000000000016	3	2	2	62.6000000000000014	39.259999999999998	1.91999999999999993	2.45999999999999996	1.97999999999999998	1.21999999999999997	2.27000000000000002	1.96999999999999997	-2.89999999999999991	0.256000000000000005	0.00125000000000000003	Soluble	-2.93000000000000016	0.240999999999999992	0.00118000000000000006	Soluble	-3.62999999999999989	0.0473999999999999977	0.000232000000000000001	Soluble	High	Yes	No	Yes	No	No	No	No	-5.79999999999999982	0	0	0	0	0	0.550000000000000044
438	149.189999999999998	C9H11NO	\N	\N	1	C[C@@H](C(=O)c1ccccc1)N	11	6	0.220000000000000001	2	2	1	44.1499999999999986	43.0900000000000034	1.46999999999999997	1.10000000000000009	1.21999999999999997	1.16999999999999993	1.46999999999999997	1.29000000000000004	-1.72999999999999998	2.7799999999999998	0.0185999999999999985	Very soluble	-1.60000000000000009	3.77000000000000002	0.0252999999999999996	Very soluble	-2.39999999999999991	0.589999999999999969	0.00395000000000000039	Soluble	High	Yes	No	No	No	No	No	No	-6.42999999999999972	0	1	0	0	1	0.550000000000000044
439	188.27000000000001	C12H16N2	\N	\N	1	CN(CCc1c[nH]c2c1cccc2)C	14	9	0.330000000000000016	3	1	1	60.5799999999999983	19.0300000000000011	2.20999999999999996	1.67999999999999994	2.27000000000000002	1.84000000000000008	2.75999999999999979	2.14999999999999991	-2.33999999999999986	0.853999999999999981	0.00453999999999999976	Soluble	-1.68999999999999995	3.81000000000000005	0.0201999999999999992	Very soluble	-4.20999999999999996	0.0117000000000000003	6.23999999999999989e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-6.25999999999999979	0	0	0	0	1	0.550000000000000044
441	174.240000000000009	C11H14N2	\N	\N	1	CN(Cc1c[nH]c2c1cccc2)C	13	9	0.270000000000000018	2	1	1	55.7700000000000031	19.0300000000000011	1.87999999999999989	1.78000000000000003	2.08000000000000007	1.55000000000000004	2.41000000000000014	1.93999999999999995	-2.41999999999999993	0.65900000000000003	0.00377999999999999994	Soluble	-1.80000000000000004	2.77000000000000002	0.0159000000000000009	Very soluble	-3.79000000000000004	0.0279000000000000012	0.000160000000000000013	Soluble	High	Yes	No	Yes	No	No	No	No	-6.09999999999999964	0	0	0	0	1	0.550000000000000044
442	550.649999999999977	C28H38N8O4	\N	\N	1	NC(=N)NCCCCNC(=O)/C=C/c1ccc2c(c1)[C@@H](C(=O)NCCCCNC(=N)N)[C@@H](O2)c1ccc(cc1)O	40	12	0.359999999999999987	18	6	9	154.27000000000001	211.460000000000008	1.35000000000000009	0.880000000000000004	0.949999999999999956	0.530000000000000027	2.02000000000000002	1.1399999999999999	-2.83999999999999986	0.791000000000000036	0.00144000000000000009	Soluble	-4.91000000000000014	0.00685000000000000019	1.23999999999999999e-05	Moderately soluble	-6.83000000000000007	8.09000000000000013e-05	1.47000000000000006e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-9.02999999999999936	3	3	2	1	3	0.170000000000000012
443	580.67999999999995	C29H40N8O5	\N	\N	1	COc1cc(/C=C/C(=O)NCCCCNC(=N)N)cc2c1O[C@H]([C@@H]2C(=O)NCCCCNC(=N)N)c1ccc(cc1)O	42	12	0.380000000000000004	19	7	9	160.77000000000001	220.689999999999998	2.35000000000000009	0.849999999999999978	0.959999999999999964	0.239999999999999991	2.12999999999999989	1.31000000000000005	-2.93000000000000016	0.677000000000000046	0.00117000000000000003	Soluble	-5.07000000000000028	0.00496999999999999959	8.55999999999999936e-06	Moderately soluble	-6.91999999999999993	6.94999999999999953e-05	1.19999999999999989e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-9.24000000000000021	3	3	2	1	3	0.170000000000000012
445	225.280000000000001	C12H19NO3	\N	\N	1	CNCCc1cc(OC)c(c(c1)OC)OC	16	6	0.5	6	4	1	63.2999999999999972	39.7199999999999989	2.85999999999999988	1.29000000000000004	1.46999999999999997	1.20999999999999996	2.31000000000000005	1.83000000000000007	-1.92999999999999994	2.64000000000000012	0.0117000000000000003	Very soluble	-1.71999999999999997	4.25	0.0189000000000000001	Very soluble	-4.04000000000000004	0.0206999999999999997	9.17999999999999952e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-6.75999999999999979	0	0	0	0	0	0.550000000000000044
447	280.449999999999989	C18H32O2	\N	\N	1	CCCCCCCCC1=C(C1)CCCCCCC(=O)O	20	0	0.82999999999999996	14	2	1	87.8199999999999932	37.2999999999999972	3.66999999999999993	6.20000000000000018	5.86000000000000032	4.16999999999999993	5.95999999999999996	5.16999999999999993	-4.55999999999999961	0.00770999999999999984	2.7500000000000001e-05	Moderately soluble	-6.76999999999999957	4.78000000000000031e-05	1.71000000000000009e-07	Poorly soluble	-5.70000000000000018	0.000559999999999999951	1.99999999999999991e-06	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-3.60999999999999988	1	1	1	0	1	0.560000000000000053
448	226.360000000000014	C14H26O2	\N	\N	1	CCCC/C=C\\CCCCCCCC(=O)O	16	0	0.790000000000000036	11	2	1	70.7099999999999937	37.2999999999999972	3.39000000000000012	5.5	4.54999999999999982	3.58000000000000007	4.19000000000000039	4.24000000000000021	-3.97999999999999998	0.0235999999999999995	0.000103999999999999994	Soluble	-6.04000000000000004	0.000205999999999999993	9.08000000000000031e-07	Poorly soluble	-3.79000000000000004	0.037100000000000001	0.000164000000000000002	Soluble	High	Yes	No	Yes	No	Yes	No	No	-3.7799999999999998	0	0	1	0	1	0.560000000000000053
449	360.319999999999993	C14H20N2O9	\N	\N	1	OC[C@H]1O[C@@H](O[C@]2(C#N)C(=CC(=O)N([C@H]2O)C)OC)[C@@H]([C@H]([C@@H]1O)O)O	25	0	0.709999999999999964	4	10	5	80.5699999999999932	172.939999999999998	-0.110000000000000001	-2.91999999999999993	-3.99000000000000021	-3.77000000000000002	-3.16999999999999993	-2.79000000000000004	0.0299999999999999989	386	1.07000000000000006	Highly soluble	-0.149999999999999994	253	0.702999999999999958	Very soluble	2.20000000000000018	56600	157	Soluble	Low	No	No	No	No	No	No	No	-10.5700000000000003	1	1	1	1	2	0.110000000000000001
450	457.430000000000007	C20H27NO11	\N	\N	1	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H](c3ccccc3)C#N)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	32	6	0.650000000000000022	7	12	7	101.890000000000001	202.319999999999993	1.40999999999999992	-2.70999999999999996	-3.43000000000000016	-3.58000000000000007	-2.70999999999999996	-2.20000000000000018	-0.650000000000000022	103	0.226000000000000006	Very soluble	-0.989999999999999991	47.1000000000000014	0.102999999999999994	Very soluble	1.37999999999999989	11000	24.1000000000000014	Soluble	Low	No	No	No	No	No	No	No	-11.0099999999999998	2	1	1	1	4	0.170000000000000012
451	867.799999999999955	C39H49NO21	\N	\N	1	N#C[C@H](c1ccccc1)O[C@H]1O[C@H](CO[C@@H]2OC[C@@H]([C@@H]([C@@H]2O)O)OC(=O)/C=C/c2ccc(cc2)O[C@@H]2O[C@H](CO[C@@H]3OC[C@H]([C@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@@H]1O)O)O	61	12	0.589999999999999969	15	22	11	195.830000000000013	346.45999999999998	1.87000000000000011	-4.23000000000000043	-5	-5.66000000000000014	-4.20000000000000018	-3.43999999999999995	-1.70999999999999996	16.8999999999999986	0.0195	Very soluble	-2.43999999999999995	3.16999999999999993	0.00365000000000000003	Soluble	2.06999999999999984	102000	118	Soluble	Low	No	Yes	No	No	No	No	No	-14.5999999999999996	3	4	2	1	5	0.170000000000000012
453	275.259999999999991	C11H17NO7	\N	\N	1	OCC(=C)[C@H](O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C#N	19	0	0.729999999999999982	5	8	5	60.1300000000000026	143.400000000000006	0.979999999999999982	-2.04999999999999982	-2.75999999999999979	-2.99000000000000021	-1.79000000000000004	-1.71999999999999997	0.0700000000000000067	327	1.18999999999999995	Highly soluble	-0.440000000000000002	101	0.366999999999999993	Very soluble	1.8899999999999999	21300	77.2999999999999972	Soluble	Low	No	Yes	No	No	No	No	No	-9.42999999999999972	0	1	1	1	1	0.550000000000000044
454	271.269999999999982	C12H17NO6	\N	\N	1	OC[C@H]1O[C@@H](O[C@@]2(C#N)C=CCC2)[C@@H]([C@H]([C@@H]1O)O)O	19	0	0.75	3	7	4	61.7000000000000028	123.170000000000002	1.25	-1.18999999999999995	-1.58000000000000007	-1.92999999999999994	-1.29000000000000004	-0.949999999999999956	-0.569999999999999951	72.2999999999999972	0.267000000000000015	Very soluble	-0.900000000000000022	33.8999999999999986	0.125	Very soluble	1.30000000000000004	5450	20.1000000000000014	Soluble	High	No	Yes	No	No	No	No	No	-8.80000000000000071	0	1	0	0	0	0.550000000000000044
455	311.29000000000002	C14H17NO7	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H](C#N)O)[C@@H]([C@H]([C@@H]1O)O)O	22	6	0.5	4	8	5	71.269999999999996	143.400000000000006	1.58000000000000007	-1.41999999999999993	-1.89999999999999991	-2.10000000000000009	-1.12000000000000011	-0.989999999999999991	-0.810000000000000053	47.8999999999999986	0.153999999999999998	Very soluble	-1.09000000000000008	25.3999999999999986	0.081500000000000003	Very soluble	0.239999999999999991	537	1.72999999999999998	Soluble	Low	No	No	No	No	No	No	No	-9.21000000000000085	0	1	1	1	0	0.550000000000000044
456	303.269999999999982	C12H17NO8	\N	\N	1	OC[C@H]1O[C@@H](O[C@@]2(C#N)C=C[C@@H]([C@H]2O)O)[C@@H]([C@H]([C@@H]1O)O)O	21	0	0.75	3	9	6	64.019999999999996	163.629999999999995	0.479999999999999982	-2.72999999999999998	-3.64000000000000012	-3.49000000000000021	-3.04999999999999982	-2.49000000000000021	0.200000000000000011	478	1.58000000000000007	Highly soluble	-0.149999999999999994	212	0.700999999999999956	Very soluble	2.93000000000000016	256000	843	Soluble	Low	No	Yes	No	No	No	No	No	-10.0899999999999999	1	1	1	1	3	0.550000000000000044
457	261.269999999999982	C11H19NO6	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H](C(C)C)C#N)[C@@H]([C@H]([C@@H]1O)O)O	18	0	0.910000000000000031	4	7	4	59.4399999999999977	123.170000000000002	0.440000000000000002	-1.48999999999999999	-1.64999999999999991	-2.10000000000000009	-1.22999999999999998	-1.19999999999999996	-0.260000000000000009	145	0.553000000000000047	Very soluble	-0.589999999999999969	66.9000000000000057	0.256000000000000005	Very soluble	1.34000000000000008	5680	21.6999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-8.94999999999999929	0	1	0	0	0	0.550000000000000044
458	409.389999999999986	C16H27NO11	\N	\N	1	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(C#N)(C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	28	0	0.939999999999999947	6	12	7	87.0600000000000023	202.319999999999993	1.41999999999999993	-3.81999999999999984	-4.07000000000000028	-4.21999999999999975	-3.52000000000000002	-2.83999999999999986	0.419999999999999984	1090	2.66000000000000014	Highly soluble	0.160000000000000003	597	1.45999999999999996	Highly soluble	3.08000000000000007	490000	1200	Soluble	Low	No	Yes	No	No	No	No	No	-11.5099999999999998	2	1	1	1	4	0.170000000000000012
459	261.269999999999982	C11H19NO6	\N	\N	1	OC[C@H]1O[C@@H](O[C@@](C#N)(CC)C)[C@@H]([C@H]([C@@H]1O)O)O	18	0	0.910000000000000031	4	7	4	59.4799999999999969	123.170000000000002	1.39999999999999991	-1.73999999999999999	-1.5	-2.10000000000000009	-1.20999999999999996	-1.03000000000000003	-0.100000000000000006	208	0.79500000000000004	Very soluble	-0.330000000000000016	122	0.465000000000000024	Very soluble	0.979999999999999982	2500	9.57000000000000028	Soluble	High	No	Yes	No	No	No	No	No	-9.13000000000000078	0	1	0	0	0	0.550000000000000044
461	423.410000000000025	C17H29NO11	\N	\N	1	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@](C#N)(CC)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	29	0	0.939999999999999947	7	12	7	91.8599999999999994	202.319999999999993	0.92000000000000004	-3.29000000000000004	-3.68000000000000016	-3.97999999999999998	-3.12000000000000011	-2.62999999999999989	0.0700000000000000067	497	1.16999999999999993	Highly soluble	-0.390000000000000013	174	0.410999999999999976	Very soluble	2.68999999999999995	205000	485	Soluble	Low	No	Yes	No	No	No	No	No	-11.2200000000000006	2	1	1	1	4	0.170000000000000012
462	391.370000000000005	C16H25NO10	\N	\N	1	N#C[C@H](C(=C)C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O	27	0	0.810000000000000053	6	11	6	85.3799999999999955	182.090000000000003	1.70999999999999996	-2.87999999999999989	-3.27000000000000002	-3.58000000000000007	-2.66000000000000014	-2.12999999999999989	-0.0599999999999999978	344	0.879000000000000004	Very soluble	-0.390000000000000013	161	0.410999999999999976	Very soluble	2.60000000000000009	157000	401	Soluble	Low	No	Yes	No	No	No	No	No	-10.7300000000000004	2	1	1	1	4	0.170000000000000012
463	259.259999999999991	C11H17NO6	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H](C(=C)C)C#N)[C@@H]([C@H]([C@@H]1O)O)O	18	0	0.729999999999999982	4	7	4	58.9699999999999989	123.170000000000002	0.619999999999999996	-1.3899999999999999	-1.72999999999999998	-2.20999999999999996	-1.21999999999999997	-1.17999999999999994	-0.309999999999999998	128	0.491999999999999993	Very soluble	-0.699999999999999956	52.2999999999999972	0.202000000000000013	Very soluble	1.33000000000000007	5490	21.1999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-8.86999999999999922	0	1	0	0	0	0.550000000000000044
464	473.430000000000007	C20H27NO12	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@H](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C#N)[C@@H]([C@H]([C@@H]1O)O)O	33	6	0.650000000000000022	7	13	8	103.650000000000006	222.550000000000011	1.91999999999999993	-1.56000000000000005	-4.08000000000000007	-4.05999999999999961	-3.16999999999999993	-2.18999999999999995	-1.45999999999999996	16.1999999999999993	0.0342999999999999972	Very soluble	-2.60999999999999988	1.16999999999999993	0.00248	Soluble	1.96999999999999997	44600	94.2000000000000028	Soluble	Low	No	No	No	No	No	No	No	-10.3000000000000007	2	1	1	1	3	0.170000000000000012
465	275.259999999999991	C11H17NO7	\N	\N	1	OC[C@H]1O[C@@H](OC/C=C(\\C#N)/CO)[C@@H]([C@H]([C@@H]1O)O)O	19	0	0.729999999999999982	5	8	5	60.1300000000000026	143.400000000000006	1.51000000000000001	-3.06000000000000005	-2.75	-2.99000000000000021	-1.79000000000000004	-1.82000000000000006	0.709999999999999964	1420	5.13999999999999968	Highly soluble	0.609999999999999987	1130	4.09999999999999964	Highly soluble	1.8899999999999999	21300	77.2999999999999972	Soluble	Low	No	Yes	No	No	No	No	No	-10.1500000000000004	0	1	1	1	1	0.550000000000000044
466	359.29000000000002	C14H17NO10	\N	\N	1	OC[C@H]1O[C@@H](O/C(=C(\\CC(=O)O)/C=C\\C(=O)O)/C#N)[C@@H]([C@H]([C@@H]1O)O)O	25	0	0.5	7	11	6	76.4599999999999937	197.77000000000001	0.220000000000000001	-1.84000000000000008	-2.29999999999999982	-3.14000000000000012	-2.37000000000000011	-1.8899999999999999	-0.450000000000000011	129	0.357999999999999985	Very soluble	-1.80000000000000004	5.75999999999999979	0.0160000000000000003	Very soluble	2.91999999999999993	302000	841	Soluble	Low	No	No	No	No	No	No	No	-9.80000000000000071	2	1	1	1	3	0.110000000000000001
467	287.269999999999982	C12H17NO7	\N	\N	1	OC[C@H]1O[C@@H](O[C@@]2(C#N)C=C[C@@H](C2)O)[C@@H]([C@H]([C@@H]1O)O)O	20	0	0.75	3	8	5	62.8599999999999994	143.400000000000006	1.55000000000000004	-2.29999999999999982	-2.60999999999999988	-2.70999999999999996	-2.16999999999999993	-1.64999999999999991	0.0299999999999999989	305	1.06000000000000005	Highly soluble	-0.179999999999999993	192	0.667000000000000037	Very soluble	2.10999999999999988	37300	130	Soluble	Low	No	Yes	No	No	No	No	No	-9.6899999999999995	0	1	1	1	1	0.550000000000000044
469	254.409999999999997	C16H30O2	\N	\N	1	CCCCCC/C=C\\CCCCCCCC(=O)O	18	0	0.810000000000000053	13	2	1	80.3199999999999932	37.2999999999999972	3.5299999999999998	6.58000000000000007	5.33000000000000007	4.08999999999999986	5.07000000000000028	4.91999999999999993	-4.70000000000000018	0.00502000000000000016	1.97000000000000011e-05	Moderately soluble	-7.16000000000000014	1.74999999999999985e-05	6.8799999999999994e-08	Poorly soluble	-4.58999999999999986	0.00649000000000000011	2.54999999999999998e-05	Moderately soluble	High	Yes	No	Yes	No	Yes	No	No	-3.18000000000000016	0	0	1	0	1	0.560000000000000053
470	278.430000000000007	C18H30O2	\N	\N	1	CCCC/C=C\\C=C\\C=C/CCCCCCCC(=O)O	20	0	0.609999999999999987	13	2	1	88.9899999999999949	37.2999999999999972	4.05999999999999961	6.61000000000000032	5.66000000000000014	4.37999999999999989	5.58999999999999986	5.25999999999999979	-4.87000000000000011	0.00372999999999999981	1.34000000000000005e-05	Moderately soluble	-7.19000000000000039	1.7799999999999999e-05	6.4000000000000004e-08	Poorly soluble	-3.95999999999999996	0.030800000000000001	0.000111000000000000001	Soluble	High	Yes	No	Yes	No	Yes	No	No	-3.31000000000000005	1	1	1	0	1	0.560000000000000053
471	298.45999999999998	C18H34O3	\N	\N	1	CCCCCC[C@H](C/C=C\\CCCCCCCC(=O)O)O	21	0	0.82999999999999996	15	3	2	91.0999999999999943	57.5300000000000011	3.99000000000000021	6.12999999999999989	5.08000000000000007	3.68999999999999995	5.21999999999999975	4.82000000000000028	-4.55999999999999961	0.00817999999999999977	2.73999999999999985e-05	Moderately soluble	-7.12000000000000011	2.26000000000000005e-05	7.58000000000000038e-08	Poorly soluble	-4.45999999999999996	0.0103999999999999995	3.49000000000000013e-05	Moderately soluble	High	Yes	Yes	Yes	No	Yes	Yes	No	-3.77000000000000002	0	0	1	0	1	0.560000000000000053
472	294.470000000000027	C19H34O2	\N	\N	1	CCCCCCCCC1=C(C1)CCCCCCCC(=O)O	21	0	0.839999999999999969	15	2	1	92.6299999999999955	37.2999999999999972	3.50999999999999979	6.53000000000000025	6.25	4.41000000000000014	6.38999999999999968	5.41999999999999993	-4.79000000000000004	0.00478000000000000039	1.62000000000000007e-05	Moderately soluble	-7.11000000000000032	2.27999999999999985e-05	7.74999999999999991e-08	Poorly soluble	-6.09999999999999964	0.000233999999999999996	7.94000000000000042e-07	Poorly soluble	High	No	No	Yes	No	No	No	No	-3.45999999999999996	1	1	1	1	1	0.560000000000000053
473	282.45999999999998	C18H34O2	\N	\N	1	CCCCCC/C=C/CCCCCCCCCC(=O)O	20	0	0.82999999999999996	15	2	1	89.9399999999999977	37.2999999999999972	4.12000000000000011	7.63999999999999968	6.11000000000000032	4.57000000000000028	5.95000000000000018	5.67999999999999972	-5.41000000000000014	0.00109000000000000004	3.85000000000000041e-06	Moderately soluble	-8.25999999999999979	1.54000000000000008e-06	5.45999999999999976e-09	Poorly soluble	-5.38999999999999968	0.00113999999999999995	4.04000000000000028e-06	Moderately soluble	High	No	No	Yes	No	Yes	No	No	-2.60000000000000009	1	1	1	1	1	0.560000000000000053
474	296.439999999999998	C18H32O3	\N	\N	1	CCCCC[C@@H]1O[C@@H]1C/C=C\\CCCCCCCC(=O)O	21	0	0.82999999999999996	14	3	1	88.9099999999999966	49.8299999999999983	4.04999999999999982	5.57000000000000028	5.09999999999999964	3.29000000000000004	5.44000000000000039	4.69000000000000039	-4.25999999999999979	0.0161999999999999991	5.4599999999999999e-05	Moderately soluble	-6.37999999999999989	0.000124000000000000005	4.1899999999999998e-07	Poorly soluble	-4.41000000000000014	0.0114999999999999998	3.88999999999999969e-05	Moderately soluble	High	Yes	No	Yes	No	Yes	Yes	No	-4.15000000000000036	0	0	1	0	1	0.560000000000000053
476	435.529999999999973	C13H25NO9S3	\N	\N	1	CSCCCCC/C(=N\\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	26	0	0.92000000000000004	11	10	5	98.7099999999999937	225.090000000000003	1.17999999999999994	-0.160000000000000003	0.660000000000000031	-1.64999999999999991	-1.12000000000000011	-0.220000000000000001	-1.70999999999999996	8.41999999999999993	0.0193000000000000012	Very soluble	-4.11000000000000032	0.0335999999999999979	7.72999999999999951e-05	Moderately soluble	0.330000000000000016	935	2.14999999999999991	Soluble	Low	No	Yes	No	No	No	No	No	-9.07000000000000028	0	0	2	1	1	0.110000000000000001
477	258.360000000000014	C17H22O2	\N	\N	1	CCC[C@H](/C=C/C=C/C=C/C#CC#CCCCO)O	19	0	0.409999999999999976	7	2	2	81.0600000000000023	40.4600000000000009	3.93000000000000016	3.35000000000000009	2.75	3.24000000000000021	4.16999999999999993	3.49000000000000021	-3.08999999999999986	0.209999999999999992	0.000812000000000000005	Soluble	-3.87999999999999989	0.0342999999999999972	0.000133000000000000007	Soluble	-1.62999999999999989	6.07000000000000028	0.0235000000000000001	Soluble	High	Yes	No	Yes	No	Yes	No	No	-5.5	0	0	0	0	0	0.550000000000000044
478	387.430000000000007	C12H21NO9S2	\N	\N	1	C=CCCC/C(=N\\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	24	0	0.75	9	10	5	85.8400000000000034	199.789999999999992	1.3899999999999999	-0.409999999999999976	0.0899999999999999967	-2.00999999999999979	-1.64999999999999991	-0.520000000000000018	-1.3899999999999999	15.8000000000000007	0.0408000000000000029	Very soluble	-3.31999999999999984	0.184999999999999998	0.000476999999999999993	Soluble	1.14999999999999991	5490	14.1999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-8.94999999999999929	0	0	1	1	1	0.110000000000000001
479	333.339999999999975	C8H15NO9S2	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/C)[C@@H]([C@H]([C@@H]1O)O)O	20	0	0.880000000000000004	5	10	5	67.0799999999999983	199.789999999999992	0.0800000000000000017	-1.81000000000000005	-1.25	-3.12000000000000011	-3.06000000000000005	-1.83000000000000007	-0.440000000000000002	122	0.365999999999999992	Very soluble	-1.87000000000000011	4.50999999999999979	0.0134999999999999998	Very soluble	2.37999999999999989	80900	243	Soluble	Low	No	Yes	No	No	No	No	No	-9.61999999999999922	0	1	1	1	1	0.110000000000000001
480	439.480000000000018	C11H21NO11S3	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/CCCS(=O)(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	26	0	0.910000000000000031	9	12	5	90.4699999999999989	242.310000000000002	0.989999999999999991	-2.14000000000000012	-0.359999999999999987	-3.08000000000000007	-3.0299999999999998	-1.52000000000000002	-0.619999999999999996	105	0.237999999999999989	Very soluble	-2.41999999999999993	1.66999999999999993	0.00381000000000000002	Soluble	1.33000000000000007	9420	21.3999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-10.5	1	0	1	1	3	0.110000000000000001
481	405.439999999999998	C12H23NO10S2	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/C[C@](CC)(O)C)[C@@H]([C@H]([C@@H]1O)O)O	25	0	0.92000000000000004	8	11	6	87.5100000000000051	220.02000000000001	-0.239999999999999991	-1.41999999999999993	-0.719999999999999973	-2.68000000000000016	-2.5299999999999998	-1.52000000000000002	-0.930000000000000049	47.5	0.117000000000000007	Very soluble	-2.70000000000000018	0.812999999999999945	0.00200000000000000004	Soluble	1.77000000000000002	23800	58.6000000000000014	Soluble	Low	No	Yes	No	No	No	No	No	-9.77999999999999936	2	1	1	1	3	0.110000000000000001
482	375.420000000000016	C11H21NO9S2	\N	\N	1	CC[C@@H](/C(=N\\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C	23	0	0.910000000000000031	7	10	5	81.5100000000000051	199.789999999999992	0.349999999999999978	-0.409999999999999976	-0.220000000000000001	-2.20000000000000018	-2.18999999999999995	-0.930000000000000049	-1.44999999999999996	13.4000000000000004	0.0357000000000000026	Very soluble	-3.31999999999999984	0.178999999999999992	0.000476999999999999993	Soluble	1.57000000000000006	14100	37.5	Soluble	Low	No	Yes	No	No	No	No	No	-8.88000000000000078	0	0	1	1	1	0.110000000000000001
484	421.509999999999991	C12H23NO9S3	\N	\N	1	CSCCCC/C(=N\\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	25	0	0.92000000000000004	10	10	5	93.9000000000000057	225.090000000000003	1.12999999999999989	-0.510000000000000009	0.270000000000000018	-1.91999999999999993	-1.5	-0.510000000000000009	-1.46999999999999997	14.1999999999999993	0.0337000000000000008	Very soluble	-3.75	0.075200000000000003	0.00017799999999999999	Soluble	0.719999999999999973	2230	5.29999999999999982	Soluble	Low	No	Yes	No	No	No	No	No	-9.23000000000000043	0	0	1	1	1	0.110000000000000001
485	453.509999999999991	C12H23NO11S3	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/CCCCS(=O)(=O)C)[C@@H]([C@H]([C@@H]1O)O)O	27	0	0.92000000000000004	10	12	5	95.2800000000000011	242.310000000000002	-0.0400000000000000008	-1.79000000000000004	0.0299999999999999989	-2.79999999999999982	-2.66999999999999993	-1.44999999999999996	-0.859999999999999987	62	0.137000000000000011	Very soluble	-2.7799999999999998	0.748999999999999999	0.00164999999999999999	Soluble	0.939999999999999947	3950	8.71000000000000085	Soluble	Low	No	Yes	No	No	No	No	No	-10.3399999999999999	1	0	1	1	2	0.110000000000000001
486	423.480000000000018	C11H21NO10S3	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/CCC[S@](=O)C)[C@@H]([C@H]([C@@H]1O)O)O	25	0	0.910000000000000031	9	11	5	89.7800000000000011	236.069999999999993	-1.18999999999999995	-2.43000000000000016	-0.239999999999999991	-3.06000000000000005	-3.14000000000000012	-2.00999999999999979	-0.340000000000000024	193	0.456000000000000016	Very soluble	-1.98999999999999999	4.36000000000000032	0.0103000000000000001	Very soluble	1.21999999999999997	7080	16.6999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-10.6099999999999994	1	0	1	1	3	0.110000000000000001
487	407.480000000000018	C11H21NO9S3	\N	\N	1	CSCCC/C(=N\\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	24	0	0.910000000000000031	9	10	5	89.0999999999999943	225.090000000000003	0.989999999999999991	-0.869999999999999996	-0.119999999999999996	-2.20000000000000018	-1.87000000000000011	-0.819999999999999951	-1.21999999999999997	24.3000000000000007	0.0597000000000000031	Very soluble	-3.37999999999999989	0.171999999999999986	0.000420999999999999988	Soluble	1.12000000000000011	5320	13.0999999999999996	Soluble	Low	No	Yes	No	No	No	No	No	-9.40000000000000036	0	0	1	1	1	0.110000000000000001
488	347.360000000000014	C9H17NO9S2	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/CC)[C@@H]([C@H]([C@@H]1O)O)O	21	0	0.890000000000000013	6	10	5	71.8900000000000006	199.789999999999992	-0.719999999999999973	-1.34000000000000008	-0.859999999999999987	-2.79999999999999982	-2.72999999999999998	-1.68999999999999995	-0.75	61.2999999999999972	0.17599999999999999	Very soluble	-2.35999999999999988	1.53000000000000003	0.00440000000000000027	Soluble	1.98999999999999999	33900	97.5	Soluble	Low	No	Yes	No	No	No	No	No	-9.36999999999999922	0	1	1	1	1	0.110000000000000001
490	403.430000000000007	C12H21NO10S2	\N	\N	1	C=CC[C@@H](C/C(=N\\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	25	0	0.75	9	11	6	87	220.02000000000001	0.729999999999999982	-1.3899999999999999	-0.939999999999999947	-2.77000000000000002	-2.39000000000000012	-1.35000000000000009	-0.869999999999999996	54.2000000000000028	0.134000000000000008	Very soluble	-2.72999999999999998	0.753000000000000003	0.00186999999999999992	Soluble	2.10000000000000009	50200	124	Soluble	Low	No	Yes	No	No	No	No	No	-9.75	2	1	1	1	3	0.110000000000000001
491	423.45999999999998	C15H21NO9S2	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/CCc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	27	6	0.530000000000000027	8	10	5	96.3799999999999955	199.789999999999992	0.729999999999999982	0.0800000000000000017	0.369999999999999996	-1.3899999999999999	-1.35000000000000009	-0.309999999999999998	-2.14999999999999991	2.97999999999999998	0.00704000000000000025	Soluble	-3.83000000000000007	0.0627000000000000057	0.000147999999999999992	Soluble	-0.479999999999999982	139	0.328000000000000014	Soluble	Low	No	Yes	No	No	No	No	No	-8.83000000000000007	0	0	1	1	1	0.110000000000000001
492	361.389999999999986	C10H19NO9S2	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/C(C)C)[C@@H]([C@H]([C@@H]1O)O)O	22	0	0.900000000000000022	6	10	5	76.7000000000000028	199.789999999999992	0.650000000000000022	-0.770000000000000018	-0.609999999999999987	-2.49000000000000021	-2.54999999999999982	-1.15999999999999992	-1.19999999999999996	22.8000000000000007	0.0632000000000000062	Very soluble	-2.95000000000000018	0.407999999999999974	0.00112999999999999993	Soluble	1.96999999999999997	33600	92.9000000000000057	Soluble	Low	No	Yes	No	No	No	No	No	-9.05000000000000071	0	1	1	1	1	0.110000000000000001
493	437.509999999999991	C12H23NO10S3	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/CCCC[S@](=O)C)[C@@H]([C@H]([C@@H]1O)O)O	26	0	0.92000000000000004	10	11	5	94.5900000000000034	236.069999999999993	1.01000000000000001	-2.06999999999999984	0.149999999999999994	-2.77000000000000002	-2.77000000000000002	-1.29000000000000004	-0.589999999999999969	113	0.258000000000000007	Very soluble	-2.35999999999999988	1.90999999999999992	0.00436000000000000016	Soluble	0.82999999999999996	2970	6.79000000000000004	Soluble	Low	No	Yes	No	No	No	No	No	-10.4399999999999995	1	0	1	1	3	0.110000000000000001
494	435.490000000000009	C12H21NO10S3	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/CC/C=C/[S@@](=O)C)[C@@H]([C@H]([C@@H]1O)O)O	26	0	0.75	9	11	5	94.1200000000000045	236.069999999999993	0.680000000000000049	-2	0.270000000000000018	-2.85999999999999988	-2.95000000000000018	-1.37000000000000011	-0.689999999999999947	89.7000000000000028	0.205999999999999989	Very soluble	-2.43000000000000016	1.6100000000000001	0.00369000000000000014	Soluble	1.55000000000000004	15400	35.3999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-10.3800000000000008	1	0	1	1	2	0.110000000000000001
495	478.490000000000009	C17H22N2O10S2	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N\\OS(=O)(=O)O)/Cc2cn(c3c2cccc3)OC)[C@@H]([C@H]([C@@H]1O)O)O	31	9	0.469999999999999973	8	11	5	109.510000000000005	213.949999999999989	1.23999999999999999	0.270000000000000018	-0.0100000000000000002	-1.21999999999999997	-2.14999999999999991	-0.369999999999999996	-2.66000000000000014	1.04000000000000004	0.00217000000000000005	Soluble	-4.32000000000000028	0.0227000000000000014	4.74000000000000002e-05	Moderately soluble	-0.209999999999999992	294	0.61399999999999999	Soluble	Low	No	Yes	No	No	No	No	No	-9.02999999999999936	1	0	1	1	2	0.110000000000000001
497	425.430000000000007	C14H19NO10S2	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/Cc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	27	6	0.5	7	11	6	93.5900000000000034	220.02000000000001	0.280000000000000027	-0.569999999999999951	-0.320000000000000007	-2.14000000000000012	-2.18999999999999995	-0.989999999999999991	-1.82000000000000006	6.41999999999999993	0.0151000000000000006	Very soluble	-3.58000000000000007	0.112000000000000002	0.000262999999999999996	Soluble	0.5	1340	3.14999999999999991	Soluble	Low	No	No	No	No	No	No	No	-9.30000000000000071	2	0	1	1	3	0.110000000000000001
498	359.370000000000005	C10H17NO9S2	\N	\N	1	C=CC/C(=N\\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	22	0	0.699999999999999956	7	10	5	76.2199999999999989	199.789999999999992	0.959999999999999964	-1.07000000000000006	-0.689999999999999947	-2.58999999999999986	-2.39000000000000012	-1.14999999999999991	-0.930000000000000049	42	0.117000000000000007	Very soluble	-2.64000000000000012	0.82999999999999996	0.00230999999999999999	Soluble	1.93999999999999995	31200	86.7000000000000028	Soluble	Low	No	Yes	No	No	No	No	No	-9.25	0	1	1	1	1	0.110000000000000001
499	528.529999999999973	C16H20N2O12S3	\N	\N	1	OC[C@H]1O[C@@H](S/C(=N\\OS(=O)(=O)O)/Cc2cn(c3c2cccc3)S(=O)(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	33	9	0.440000000000000002	8	13	6	114.060000000000002	267.470000000000027	0.890000000000000013	-0.959999999999999964	0.660000000000000031	-1.8899999999999999	-3.77000000000000002	-1.01000000000000001	-2.18999999999999995	3.43999999999999995	0.00651999999999999975	Soluble	-4.16999999999999993	0.0355999999999999997	6.7299999999999996e-05	Moderately soluble	0.619999999999999996	2210	4.19000000000000039	Soluble	Low	No	Yes	No	No	No	No	No	-10.2100000000000009	3	1	1	1	3	0.110000000000000001
500	244.370000000000005	C17H24O	\N	\N	1	CCCCCCC/C=C\\CC#CC#C[C@@H](C=C)O	18	0	0.530000000000000027	8	1	1	80.3700000000000045	20.2300000000000004	3.91999999999999993	5.49000000000000021	4.00999999999999979	4.25999999999999979	5.08000000000000007	4.54999999999999982	-4.29000000000000004	0.0126999999999999995	5.17999999999999987e-05	Moderately soluble	-5.66999999999999993	0.000519000000000000039	2.12000000000000003e-06	Moderately soluble	-3.2799999999999998	0.128000000000000003	0.000522000000000000003	Soluble	High	Yes	No	Yes	No	Yes	No	No	-3.89000000000000012	1	0	0	0	2	0.550000000000000044
501	228.330000000000013	C13H8S2	\N	\N	1	CC#CC1=CC=C(SS1)C#CC#CC=C	15	0	0.0800000000000000017	0	0	0	70.7399999999999949	50.6000000000000014	3.56999999999999984	3.81999999999999984	3.60000000000000009	3.75999999999999979	3.85999999999999988	3.7200000000000002	-3.66000000000000014	0.0497000000000000011	0.000218000000000000013	Soluble	-4.58000000000000007	0.00604000000000000023	2.64000000000000013e-05	Moderately soluble	-1.80000000000000004	3.60000000000000009	0.0158000000000000015	Soluble	High	Yes	No	No	Yes	Yes	No	No	-4.98000000000000043	0	0	0	0	0	0.550000000000000044
502	228.330000000000013	C13H8S2	\N	\N	1	CC#CC#CC1=CC=C(SS1)C#CC=C	15	0	0.0800000000000000017	0	0	0	70.7399999999999949	50.6000000000000014	3.66000000000000014	3.81999999999999984	3.60000000000000009	3.75999999999999979	3.85999999999999988	3.74000000000000021	-3.66000000000000014	0.0497000000000000011	0.000218000000000000013	Soluble	-4.58000000000000007	0.00604000000000000023	2.64000000000000013e-05	Moderately soluble	-1.80000000000000004	3.60000000000000009	0.0158000000000000015	Soluble	High	Yes	No	No	Yes	Yes	No	No	-4.98000000000000043	0	0	0	0	0	0.550000000000000044
504	622.919999999999959	C37H66O7	\N	\N	1	CCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCC[C@@H](CC1=C[C@@H](OC1=O)C)O)O)O	44	0	0.92000000000000004	25	7	3	180.099999999999994	105.450000000000003	7.30999999999999961	9.69999999999999929	7.86000000000000032	3.81000000000000005	9.23000000000000043	7.58000000000000007	-8.16000000000000014	4.27999999999999968e-06	6.86999999999999964e-09	Poorly soluble	-11.8300000000000001	9.19000000000000032e-10	1.47e-12	Insoluble	-7.87000000000000011	8.34999999999999968e-06	1.33999999999999992e-08	Poorly soluble	Low	No	No	No	No	No	No	Yes	-3.20999999999999996	1	4	1	1	3	0.550000000000000044
505	341.269999999999982	C17H11NO7	\N	\N	1	COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O	25	14	0.119999999999999996	3	7	1	89.7900000000000063	110.810000000000002	1.95999999999999996	3.56000000000000005	3.33999999999999986	1.35000000000000009	1.1399999999999999	2.27000000000000002	-4.41999999999999993	0.0131000000000000005	3.85000000000000007e-05	Moderately soluble	-5.57000000000000028	0.000912999999999999966	2.68000000000000018e-06	Moderately soluble	-4.34999999999999964	0.0152	4.47000000000000023e-05	Moderately soluble	High	No	No	Yes	Yes	Yes	No	No	-5.84999999999999964	0	0	0	0	0	0.560000000000000053
506	184.099999999999994	C7H4O6	\N	\N	1	OC(=O)c1oc(cc(=O)c1)C(=O)O	13	6	0	2	6	2	38.8999999999999986	104.810000000000002	-0.0100000000000000002	-0.400000000000000022	0.0400000000000000008	-1.25	0.170000000000000012	-0.28999999999999998	-0.939999999999999947	21.1999999999999993	0.115000000000000005	Very soluble	-1.34000000000000008	8.47000000000000064	0.0459999999999999992	Very soluble	-0.680000000000000049	38.1000000000000014	0.20699999999999999	Soluble	High	No	No	No	No	No	No	No	-7.70999999999999996	0	2	0	0	1	0.560000000000000053
507	280.319999999999993	C18H16O3	\N	\N	1	COc1ccc(cc1)CCc1cc(=O)c2c(o1)cccc2	21	16	0.170000000000000012	4	3	0	83.2399999999999949	39.4399999999999977	3.20999999999999996	4.12000000000000011	3.58999999999999986	2.39000000000000012	4.75999999999999979	3.60999999999999988	-4.46999999999999975	0.00941999999999999955	3.35999999999999968e-05	Moderately soluble	-4.65000000000000036	0.00621000000000000024	2.20999999999999985e-05	Moderately soluble	-7.05999999999999961	2.43000000000000011e-05	8.67000000000000021e-08	Poorly soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.08000000000000007	0	0	0	0	0	0.550000000000000044
508	210.27000000000001	C12H18O3	\N	\N	1	CC/C=C\\C[C@@H]1[C@H](CCC1=O)CC(=O)O	15	0	0.67000000000000004	5	3	1	59.1799999999999997	54.3699999999999974	1.89999999999999991	1.60000000000000009	2.41000000000000014	1.67999999999999994	2.41999999999999993	2	-1.82000000000000006	3.16999999999999993	0.0151000000000000006	Very soluble	-2.35000000000000009	0.932000000000000051	0.00442999999999999991	Soluble	-1.77000000000000002	3.58999999999999986	0.0171000000000000006	Soluble	High	Yes	No	No	No	No	No	No	-6.45000000000000018	0	0	0	0	0	0.560000000000000053
509	276.240000000000009	C11H16O8	\N	\N	1	OC[C@H]1O[C@@H](OC[C@@H]2C=CC(=O)O2)[C@@H]([C@H]([C@@H]1O)O)O	19	0	0.729999999999999982	4	8	4	58.3900000000000006	125.680000000000007	0.770000000000000018	-2.62000000000000011	-2.7200000000000002	-2.18000000000000016	-1.82000000000000006	-1.70999999999999996	0.359999999999999987	636	2.29999999999999982	Highly soluble	0.530000000000000027	932	3.37999999999999989	Highly soluble	1.85000000000000009	19800	71.5999999999999943	Soluble	Low	No	Yes	No	No	No	No	No	-9.84999999999999964	0	1	0	0	1	0.550000000000000044
511	361.389999999999986	C19H23NO6	\N	\N	1	COc1c2OCOc2cc2c1CN1CC[C@]32[C@H]1C[C@H](C[C@H]3O)OC(=O)C	26	6	0.630000000000000004	3	7	1	94.9899999999999949	77.4599999999999937	3.10000000000000009	1.39999999999999991	0.800000000000000044	1.26000000000000001	1.72999999999999998	1.65999999999999992	-2.93999999999999995	0.418999999999999984	0.00116000000000000001	Soluble	-2.62999999999999989	0.845999999999999974	0.00234000000000000007	Soluble	-2.85999999999999988	0.503000000000000003	0.00138999999999999996	Soluble	High	No	No	No	No	No	Yes	No	-7.50999999999999979	0	0	0	0	0	0.550000000000000044
512	317.379999999999995	C18H23NO4	\N	\N	1	CO[C@H]1C=C[C@@]23[C@@H](C1)N(CC2)Cc1c3cc(O)c(c1OC)OC	23	6	0.560000000000000053	3	5	1	90.7999999999999972	51.1599999999999966	3.27000000000000002	2.02000000000000002	1.67999999999999994	1.41999999999999993	1.98999999999999999	2.06999999999999984	-3.08000000000000007	0.267000000000000015	0.000840999999999999951	Soluble	-2.7200000000000002	0.60199999999999998	0.0019	Soluble	-3.06999999999999984	0.269000000000000017	0.000846999999999999988	Soluble	High	Yes	No	No	No	No	Yes	No	-6.79999999999999982	0	0	0	0	0	0.550000000000000044
513	331.360000000000014	C18H21NO5	\N	\N	1	CO[C@H]1C=C[C@@]23[C@@H](C1)N(Cc1c3cc3OCOc3c1OC)C[C@@H]2O	24	6	0.560000000000000053	2	6	1	89.5100000000000051	60.3900000000000006	2.99000000000000021	1.23999999999999999	0.660000000000000031	1.01000000000000001	1.39999999999999991	1.45999999999999996	-2.72999999999999998	0.618999999999999995	0.00186999999999999992	Soluble	-2.10999999999999988	2.60000000000000009	0.00783000000000000015	Soluble	-2.45999999999999996	1.14999999999999991	0.00348000000000000002	Soluble	High	No	No	No	No	No	Yes	No	-7.44000000000000039	0	0	0	0	0	0.550000000000000044
514	271.310000000000002	C16H17NO3	\N	\N	1	O[C@@H]1CC=C2[C@@H]3[C@@H]1c1cc4OCOc4cc1CN3CC2	20	6	0.5	0	4	1	77.2399999999999949	41.9299999999999997	2.54000000000000004	1.09000000000000008	1.25	1.90999999999999992	1.78000000000000003	1.70999999999999996	-2.43000000000000016	1.01000000000000001	0.00371000000000000019	Soluble	-1.56000000000000005	7.41999999999999993	0.0274000000000000007	Very soluble	-2.45999999999999996	0.938999999999999946	0.00345999999999999997	Soluble	High	Yes	Yes	No	No	No	Yes	No	-7.17999999999999972	0	0	0	0	0	0.550000000000000044
515	326.389999999999986	C19H22N2O3	\N	\N	1	O[C@@H]1CN2[C@@H]3C1=C[C@@H]1CCCN[C@@H]1[C@H]3c1c(C2)cc2c(c1)OCO2	24	6	0.57999999999999996	0	5	2	96.269999999999996	53.9600000000000009	2.72999999999999998	0.510000000000000009	0.450000000000000011	1.79000000000000004	1.32000000000000006	1.3600000000000001	-2.37000000000000011	1.3899999999999999	0.00427000000000000036	Soluble	-1.20999999999999996	20	0.0611999999999999975	Very soluble	-2.85999999999999988	0.454000000000000015	0.00138999999999999996	Soluble	High	No	Yes	No	No	No	Yes	No	-7.92999999999999972	0	0	0	0	0	0.550000000000000044
516	303.350000000000023	C17H21NO4	\N	\N	1	OC[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)c1cc(O)c(cc1C3)OC	22	6	0.530000000000000027	2	5	3	85.6599999999999966	73.1599999999999966	2.33999999999999986	0.550000000000000044	0.450000000000000011	0.910000000000000031	0.890000000000000013	1.03000000000000003	-2.14000000000000012	2.20999999999999996	0.00728999999999999961	Soluble	-1.65999999999999992	6.66000000000000014	0.0219999999999999987	Very soluble	-1.85000000000000009	4.29999999999999982	0.0142000000000000008	Soluble	High	No	Yes	No	No	No	Yes	No	-7.75999999999999979	0	0	0	0	0	0.550000000000000044
518	301.339999999999975	C17H19NO4	\N	\N	1	CO[C@H]1C=C[C@]23[C@H](C1)N(C[C@@H]2O)Cc1c3cc2OCOc2c1	22	6	0.530000000000000027	1	5	1	83.019999999999996	51.1599999999999966	2.91999999999999993	1.27000000000000002	0.650000000000000022	1.32000000000000006	1.37999999999999989	1.51000000000000001	-2.64000000000000012	0.684000000000000052	0.00226999999999999988	Soluble	-1.93999999999999995	3.43000000000000016	0.0114000000000000004	Very soluble	-2.35000000000000009	1.3600000000000001	0.00449999999999999966	Soluble	High	Yes	No	No	No	No	Yes	No	-7.24000000000000021	0	0	0	0	0	0.550000000000000044
519	287.350000000000023	C17H21NO3	\N	\N	1	COc1ccc2c3c1O[C@@H]1[C@@]3(CCN(C2)C)C=C[C@@H](C1)O	21	6	0.530000000000000027	1	4	1	84.0499999999999972	41.9299999999999997	2.66999999999999993	1.84000000000000008	1.32000000000000006	1.73999999999999999	2.0299999999999998	1.91999999999999993	-2.93000000000000016	0.341000000000000025	0.00119000000000000009	Soluble	-2.33999999999999986	1.31000000000000005	0.00455999999999999982	Soluble	-2.95999999999999996	0.317000000000000004	0.00110000000000000007	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.75	0	0	0	0	0	0.550000000000000044
520	301.339999999999975	C17H19NO4	\N	\N	1	CO[C@@H]1C=C[C@]23[C@H](C1)N(C[C@@H]2O)Cc1c3cc2OCOc2c1	22	6	0.530000000000000027	1	5	1	83.019999999999996	51.1599999999999966	2.93000000000000016	1.27000000000000002	0.650000000000000022	1.32000000000000006	1.37999999999999989	1.51000000000000001	-2.64000000000000012	0.684000000000000052	0.00226999999999999988	Soluble	-1.93999999999999995	3.43000000000000016	0.0114000000000000004	Very soluble	-2.35000000000000009	1.3600000000000001	0.00449999999999999966	Soluble	High	Yes	No	No	No	No	Yes	No	-7.24000000000000021	0	0	0	0	0	0.550000000000000044
521	287.310000000000002	C16H17NO4	\N	\N	1	O[C@H]1C=C2CCN3[C@H]2[C@@H]([C@@H]1O)c1cc2OCOc2cc1C3	21	6	0.5	0	5	2	78.4000000000000057	62.1599999999999966	2.24000000000000021	-0.0200000000000000004	0.220000000000000001	1.08000000000000007	0.859999999999999987	0.869999999999999996	-1.82000000000000006	4.34999999999999964	0.0151000000000000006	Very soluble	-0.839999999999999969	41.8999999999999986	0.145999999999999991	Very soluble	-1.64999999999999991	6.42999999999999972	0.0223999999999999998	Soluble	High	No	Yes	No	No	No	Yes	No	-8.07000000000000028	0	0	0	0	0	0.550000000000000044
522	285.339999999999975	C17H19NO3	\N	\N	1	COc1ccc2c3c1O[C@@H]1[C@@]3(CCN(C2)C)C=CC(=O)C1	21	6	0.469999999999999973	1	4	0	83.0799999999999983	38.7700000000000031	2.50999999999999979	1.75	1.53000000000000003	1.65999999999999992	2.62000000000000011	2.00999999999999979	-2.85999999999999988	0.39700000000000002	0.00138999999999999996	Soluble	-2.18000000000000016	1.87999999999999989	0.00659000000000000037	Soluble	-3.64999999999999991	0.063399999999999998	0.000222000000000000002	Soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.79999999999999982	0	0	0	0	0	0.550000000000000044
523	726.590000000000032	C30H34N2O19	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3C[C@H](/[N+](=C\\C=C\\4/C[C@H](NC(=C4)C(=O)O)C(=O)O)/c3cc2O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@@H]1O)O)O	51	6	0.5	10	19	11	167.150000000000006	345.600000000000023	-1.84000000000000008	-2.85999999999999988	-6.54000000000000004	-6.70999999999999996	-5.66000000000000014	-4.71999999999999975	-1.96999999999999997	7.78000000000000025	0.0106999999999999994	Very soluble	-3.83999999999999986	0.104999999999999996	0.000144000000000000004	Soluble	3.37000000000000011	1710000	2350	Soluble	Low	No	Yes	No	No	No	No	No	-12.7599999999999998	3	4	1	1	5	0.110000000000000001
525	388.329999999999984	C18H16N2O8	\N	\N	1	OC(=O)[C@@H]1C/C(=C\\C=[N+]\\2/[C@@H](Cc3c2cc(O)c(c3)O)C(=O)[O-])/C=C(N1)C(=O)O	28	6	0.220000000000000001	4	8	5	102.030000000000001	170.22999999999999	-2.08000000000000007	0.28999999999999998	-1.92999999999999994	-2.70999999999999996	-1.1100000000000001	-1.51000000000000001	-2.31999999999999984	1.84000000000000008	0.00472999999999999983	Soluble	-3.43000000000000016	0.14499999999999999	0.000373999999999999983	Soluble	-0.709999999999999964	76.0999999999999943	0.196000000000000008	Soluble	Low	No	No	No	No	No	No	No	-8.46000000000000085	0	1	1	1	1	0.110000000000000001
526	550.470000000000027	C24H26N2O13	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3C[C@H](/[N+](=C\\C=C\\4/C[C@H](NC(=C4)C(=O)O)C(=O)O)/c3cc2O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O	39	6	0.419999999999999984	7	13	8	134.150000000000006	249.379999999999995	-2.18999999999999995	-1.51000000000000001	-4.45999999999999996	-4.71999999999999975	-3.14999999999999991	-3.20999999999999996	-1.94999999999999996	6.12999999999999989	0.0111000000000000005	Very soluble	-3.2200000000000002	0.331000000000000016	0.000600999999999999972	Soluble	1.07000000000000006	6410	11.5999999999999996	Soluble	Low	No	No	No	No	No	No	No	-10.7300000000000004	3	3	1	1	3	0.110000000000000001
527	712.610000000000014	C30H36N2O18	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3C[C@H](/[N+](=C\\C=C\\4/C[C@H](NC(=C4)C(=O)O)C(=O)O)/c3cc2O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	50	6	0.530000000000000027	10	18	11	166.539999999999992	328.529999999999973	-2.04000000000000004	-3.10000000000000009	-6.63999999999999968	-6.74000000000000021	-5.21999999999999975	-4.75	-1.72999999999999998	13.0999999999999996	0.0184999999999999991	Very soluble	-3.22999999999999998	0.415999999999999981	0.000583999999999999992	Soluble	2.89000000000000012	558000	783	Soluble	Low	No	No	No	No	No	No	No	-12.8499999999999996	3	4	1	1	5	0.110000000000000001
528	902.759999999999991	C40H42N2O22	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3C[C@H](/[N+](=C\\C=C\\4/C[C@H](NC(=C4)C(=O)O)C(=O)O)/c3cc2O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1OC(=O)/C=C/c1ccc(c(c1)OC)O)O)O	64	12	0.400000000000000022	15	22	11	215.009999999999991	381.129999999999995	-1.51000000000000001	-0.57999999999999996	-4.66999999999999993	-6.03000000000000025	-3.81000000000000005	-3.31999999999999984	-4.21999999999999975	0.054300000000000001	6.01999999999999996e-05	Moderately soluble	-6.95000000000000018	0.000101000000000000002	1.11000000000000001e-07	Poorly soluble	1.23999999999999999	15500	17.1999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-12.2200000000000006	3	4	2	1	4	0.110000000000000001
529	390.339999999999975	C18H18N2O8	\N	\N	1	OC(=O)[C@H](Cc1ccc(c(c1)O)O)N/C=C/C1=CC(=N[C@@H](C1)C(=O)O)C(=O)O	28	6	0.220000000000000001	8	9	6	100.400000000000006	176.75	0.160000000000000003	0.780000000000000027	0.119999999999999996	-2.97999999999999998	0.520000000000000018	-0.280000000000000027	-2.37999999999999989	1.62000000000000011	0.00415000000000000004	Soluble	-4.07000000000000028	0.0330000000000000016	8.46999999999999988e-05	Moderately soluble	-0.839999999999999969	56.8999999999999986	0.145999999999999991	Soluble	Low	No	No	No	No	No	No	No	-8.13000000000000078	1	0	1	1	2	0.110000000000000001
530	550.470000000000027	C24H26N2O13	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(cc2O)C[C@H](/[N+]/3=C\\C=C\\2/C[C@H](NC(=C2)C(=O)O)C(=O)O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O	39	6	0.419999999999999984	7	13	8	134.150000000000006	249.379999999999995	-2.5	-1.51000000000000001	-4.45999999999999996	-4.71999999999999975	-3.14999999999999991	-3.27000000000000002	-1.94999999999999996	6.12999999999999989	0.0111000000000000005	Very soluble	-3.2200000000000002	0.331000000000000016	0.000600999999999999972	Soluble	1.07000000000000006	6410	11.5999999999999996	Soluble	Low	No	No	No	No	No	No	No	-10.7300000000000004	3	3	1	1	3	0.110000000000000001
531	726.639999999999986	C34H34N2O16	\N	\N	1	COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3cc4c(cc3O)C[C@H](/[N+]/4=C\\C=C\\3/C[C@H](NC(=C3)C(=O)O)C(=O)O)C(=O)[O-])[C@@H]([C@H]([C@@H]2O)O)O)ccc1O	52	12	0.320000000000000007	12	16	8	182.02000000000001	284.910000000000025	-0.540000000000000036	0.209999999999999992	-2.58999999999999986	-3.9700000000000002	-1.31000000000000005	-1.6399999999999999	-3.85999999999999988	0.101000000000000006	0.000138999999999999991	Soluble	-5.75	0.00128999999999999991	1.76999999999999999e-06	Moderately soluble	-1.1100000000000001	56.1000000000000014	0.0772999999999999937	Soluble	Low	No	Yes	No	No	No	No	No	-10.5800000000000001	3	4	2	1	4	0.110000000000000001
533	308.29000000000002	C14H16N2O6	\N	\N	1	OC(=O)[C@@H]1C/C(=C\\C=[N+]/2\\CCC[C@H]2C(=O)[O-])/C=C(N1)C(=O)O	22	0	0.429999999999999993	4	6	3	82.3900000000000006	129.77000000000001	-2.2200000000000002	-0.270000000000000018	-2.43999999999999995	-2.7200000000000002	-1.06000000000000005	-1.73999999999999999	-1.32000000000000006	14.8000000000000007	0.0481999999999999998	Very soluble	-2	3.10999999999999988	0.0100999999999999996	Very soluble	0.0500000000000000028	344	1.12000000000000011	Soluble	Low	No	No	No	No	No	No	No	-8.36999999999999922	0	1	0	0	0	0.560000000000000053
534	870.720000000000027	C36H42N2O23	\N	\N	1	O=C(C[C@@](CC(=O)O)(O)C)OC[C@H]1O[C@@H](Oc2cc3C[C@H](/[N+](=C\\C=C\\4/C[C@H](NC(=C4)C(=O)O)C(=O)O)/c3cc2O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O	61	6	0.530000000000000027	16	23	12	199.080000000000013	409.199999999999989	-4.25999999999999979	-3.83999999999999986	-6.37999999999999989	-6.94000000000000039	-5.37999999999999989	-5.36000000000000032	-1.84000000000000008	12.6999999999999993	0.0146000000000000001	Very soluble	-4.16000000000000014	0.0602999999999999994	6.92000000000000015e-05	Moderately soluble	3.29000000000000004	1720000	1970	Soluble	Low	No	Yes	No	No	No	No	No	-14.3399999999999999	3	4	2	1	6	0.110000000000000001
535	550.470000000000027	C24H26N2O13	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3C[C@H](/[N+](=C\\C=C\\4/C[C@@H](NC(=C4)C(=O)O)C(=O)O)/c3cc2O)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O	39	6	0.419999999999999984	7	13	8	134.150000000000006	249.379999999999995	-2.04999999999999982	-1.51000000000000001	-4.45999999999999996	-4.71999999999999975	-3.14999999999999991	-3.18000000000000016	-1.94999999999999996	6.12999999999999989	0.0111000000000000005	Very soluble	-3.2200000000000002	0.331000000000000016	0.000600999999999999972	Soluble	1.07000000000000006	6410	11.5999999999999996	Soluble	Low	No	No	No	No	No	No	No	-10.7300000000000004	3	3	1	1	3	0.110000000000000001
536	358.370000000000005	C14H18N2O7S	\N	\N	1	C[S@@](=O)CC[C@@H](C(=O)O)N/C=C/C1=CC(=N[C@@H](C1)C(=O)O)C(=O)O	24	0	0.429999999999999993	9	8	4	89.7600000000000051	172.569999999999993	0.450000000000000011	-1.02000000000000002	0.110000000000000001	-3.58000000000000007	-0.469999999999999973	-0.900000000000000022	-0.82999999999999996	53.6000000000000014	0.149999999999999994	Very soluble	-2.12000000000000011	2.74000000000000021	0.00764000000000000009	Soluble	-0.299999999999999989	178	0.496999999999999997	Soluble	Low	No	No	No	No	No	No	No	-9.21000000000000085	0	0	1	1	1	0.110000000000000001
537	326.259999999999991	C13H14N2O8	\N	\N	1	OC(=O)C[C@@H](C(=O)O)N/C=C/C1=CC(=N[C@@H](C1)C(=O)O)C(=O)O	23	0	0.309999999999999998	8	9	5	78.4399999999999977	173.590000000000003	-0.0100000000000000002	-0.969999999999999973	-1.05000000000000004	-3.79999999999999982	-0.709999999999999964	-1.31000000000000005	-0.719999999999999973	61.6000000000000014	0.189000000000000001	Very soluble	-2.18999999999999995	2.10999999999999988	0.0064599999999999996	Soluble	1.1100000000000001	4220	12.9000000000000004	Soluble	Low	No	No	No	No	No	No	No	-8.98000000000000043	0	1	1	1	1	0.110000000000000001
539	346.329999999999984	C17H18N2O6	\N	\N	1	OC(=O)[C@H]1CC(=CC(=N1)C(=O)O)/C=C/NCCc1ccc(c(c1)O)O	25	6	0.239999999999999991	7	7	5	93.8199999999999932	139.449999999999989	1.21999999999999997	1.14999999999999991	0.67000000000000004	-0.190000000000000002	1.32000000000000006	0.839999999999999969	-2.43000000000000016	1.29000000000000004	0.00373999999999999983	Soluble	-3.66999999999999993	0.0734999999999999959	0.000212000000000000003	Soluble	-1.85000000000000009	4.87999999999999989	0.0140999999999999997	Soluble	High	No	No	No	No	No	No	No	-7.59999999999999964	0	0	0	1	0	0.560000000000000053
540	351.269999999999982	C14H13N3O8	\N	\N	1	O=c1[nH]oc(c1)[C@@H](C(=O)O)N/C=C/C1=CC(=N[C@@H](C1)C(=O)O)C(=O)O	25	5	0.209999999999999992	7	9	5	84.4300000000000068	182.289999999999992	0.190000000000000002	-1	-1.19999999999999996	-3.66999999999999993	0.0700000000000000067	-1.12000000000000011	-1.07000000000000006	29.6000000000000014	0.0844000000000000028	Very soluble	-2.33999999999999986	1.60000000000000009	0.00455000000000000022	Soluble	-0.359999999999999987	153	0.437	Soluble	Low	No	No	No	No	No	No	No	-9.15000000000000036	1	1	1	1	1	0.110000000000000001
541	420.329999999999984	C18H16N2O10	\N	\N	1	O=c1cc(C[C@@H](C(=O)O)N/C=C/C2=CC(=N[C@@H](C2)C(=O)O)C(=O)O)cc(o1)C(=O)O	30	6	0.220000000000000001	9	11	5	101.849999999999994	203.800000000000011	-0.0500000000000000028	-0.359999999999999987	-0.630000000000000004	-3.2799999999999998	0.429999999999999993	-0.780000000000000027	-1.77000000000000002	7.08999999999999986	0.0168999999999999984	Very soluble	-3.45999999999999996	0.146999999999999992	0.000349000000000000026	Soluble	-0.869999999999999996	56.3999999999999986	0.134000000000000008	Soluble	Low	No	No	No	No	No	No	No	-9.11999999999999922	1	1	1	1	2	0.110000000000000001
542	348.310000000000002	C15H16N4O6	\N	\N	1	N[C@H](C(=O)[O-])Cc1[nH]c[n+](c1)/C=C/C1=CC(=N[C@@H](C1)C(=O)O)C(=O)O	25	5	0.270000000000000018	7	8	4	88.2399999999999949	172.780000000000001	-5.19000000000000039	-3.45000000000000018	-2.79000000000000004	-3.79999999999999982	-0.340000000000000024	-3.10999999999999988	0.489999999999999991	1070	3.08000000000000007	Highly soluble	0.400000000000000022	876	2.50999999999999979	Highly soluble	0.380000000000000004	830	2.37999999999999989	Soluble	Low	No	No	No	No	No	No	No	-10.8699999999999992	0	1	1	1	2	0.110000000000000001
543	418.310000000000002	C18H14N2O10	\N	\N	1	OC(=O)[C@@H]1C/C(=C\\C=[N+]\\2/[C@@H](Cc3c2c(=O)oc(c3)C(=O)O)C(=O)[O-])/C=C(N1)C(=O)O	30	6	0.220000000000000001	5	10	4	103.480000000000004	197.280000000000001	-2.31000000000000005	-0.640000000000000013	-2.68999999999999995	-3.02000000000000002	-1.20999999999999996	-1.96999999999999997	-1.85000000000000009	5.92999999999999972	0.0142000000000000008	Very soluble	-3.0299999999999998	0.390000000000000013	0.000933000000000000019	Soluble	-0.739999999999999991	75.4000000000000057	0.179999999999999993	Soluble	Low	No	No	No	No	No	No	No	-9.3100000000000005	1	1	1	1	1	0.110000000000000001
544	324.29000000000002	C14H16N2O7	\N	\N	1	O[C@@H]1C[C@H](/[N+](=C\\C=C\\2/C[C@H](NC(=C2)C(=O)O)C(=O)O)/C1)C(=O)[O-]	23	0	0.429999999999999993	4	7	4	83.5600000000000023	150	-3.06000000000000005	-1.23999999999999999	-3.4700000000000002	-3.5	-1.93999999999999995	-2.64000000000000012	-0.810000000000000053	50.7999999999999972	0.157000000000000001	Very soluble	-1.40999999999999992	12.5	0.0384999999999999995	Very soluble	0.859999999999999987	2360	7.28000000000000025	Soluble	Low	No	No	No	No	No	No	No	-9.16000000000000014	0	1	1	1	0	0.110000000000000001
545	374.339999999999975	C18H18N2O7	\N	\N	1	Oc1ccc(cc1)C[C@@H](C(=O)O)N/C=C/C1=CC(=N[C@@H](C1)C(=O)O)C(=O)O	27	6	0.220000000000000001	8	8	5	98.3700000000000045	156.52000000000001	0.630000000000000004	1.12999999999999989	0.419999999999999984	-2.47999999999999998	0.979999999999999982	0.140000000000000013	-2.50999999999999979	1.15999999999999992	0.00309999999999999989	Soluble	-4.00999999999999979	0.0364999999999999977	9.76000000000000007e-05	Moderately soluble	-1.41999999999999993	14.0999999999999996	0.0376999999999999974	Soluble	Low	No	No	No	No	No	No	No	-7.78000000000000025	0	0	1	1	1	0.110000000000000001
547	630.529999999999973	C24H26N2O16S	\N	\N	1	O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)COS(=O)(=O)[O-])Oc1cc2C[C@H](/[N+](=C\\C=C\\3/C[C@@H](NC(=C3)C(=O)O)C(=O)O)/c2cc1O)C(=O)O	43	6	0.419999999999999984	9	16	8	144.699999999999989	301.129999999999995	-4.53000000000000025	-2.45000000000000018	-2.56000000000000005	-5.01999999999999957	-4.70000000000000018	-3.85000000000000009	-1.71999999999999997	12.1999999999999993	0.0193000000000000012	Very soluble	-3.33000000000000007	0.292999999999999983	0.000465000000000000027	Soluble	1.51000000000000001	20200	32.1000000000000014	Soluble	Low	No	No	No	No	No	No	No	-11.8900000000000006	3	3	1	1	5	0.110000000000000001
548	339.300000000000011	C14H17N3O7	\N	\N	1	NC(=O)CC[C@@H](C(=O)O)N/C=C/C1=CC(=N[C@@H](C1)C(=O)O)C(=O)O	24	0	0.359999999999999987	9	8	5	84.3900000000000006	179.379999999999995	0.0500000000000000028	-1.26000000000000001	-1.26000000000000001	-3.93999999999999995	-0.550000000000000044	-1.3899999999999999	-0.560000000000000053	94.2999999999999972	0.278000000000000025	Very soluble	-2.00999999999999979	3.31000000000000005	0.00975999999999999958	Soluble	0.5	1070	3.16000000000000014	Soluble	Low	No	No	No	No	No	No	No	-9.25999999999999979	0	1	1	1	1	0.110000000000000001
549	340.29000000000002	C14H16N2O8	\N	\N	1	OC(=O)CC[C@@H](C(=O)O)N/C=C/C1=CC(=N[C@@H](C1)C(=O)O)C(=O)O	24	0	0.359999999999999987	9	9	5	83.25	173.590000000000003	-0.130000000000000004	-0.609999999999999987	-0.660000000000000031	-3.5299999999999998	-0.309999999999999998	-1.05000000000000004	-0.969999999999999973	36.2999999999999972	0.106999999999999998	Very soluble	-2.56000000000000005	0.930000000000000049	0.00272999999999999979	Soluble	0.709999999999999964	1770	5.19000000000000039	Soluble	Low	No	No	No	No	No	No	No	-8.8100000000000005	0	1	1	1	1	0.110000000000000001
550	648.950000000000045	C39H68O7	\N	\N	1	CCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](CCCCCCCCCCCCC1=C[C@@H](OC1=O)C)O)OC(=O)C	46	0	0.900000000000000022	27	7	1	188.669999999999987	91.2900000000000063	8.19999999999999929	11.8100000000000005	9.46000000000000085	4.87999999999999989	10.5600000000000005	8.98000000000000043	-9.51999999999999957	1.95000000000000012e-07	3.00999999999999995e-10	Poorly soluble	-13.7200000000000006	1.23000000000000005e-11	1.89000000000000002e-14	Insoluble	-9.41999999999999993	2.46999999999999975e-07	3.80999999999999977e-10	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-1.87000000000000011	2	4	1	1	3	0.170000000000000012
551	392.490000000000009	C25H28O4	\N	\N	1	CC(=CCc1cc(/C=C/C(=O)c2ccc(cc2O)O)cc(c1O)CC=C(C)C)C	29	12	0.239999999999999991	7	4	3	119.760000000000005	77.7600000000000051	4.16999999999999993	7.03000000000000025	5.61000000000000032	3.70000000000000018	6.07000000000000028	5.32000000000000028	-6.54999999999999982	0.000111999999999999998	2.84000000000000002e-07	Poorly soluble	-8.48000000000000043	1.30000000000000005e-06	3.32000000000000012e-09	Poorly soluble	-5.70000000000000018	0.000791999999999999952	2.02000000000000014e-06	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-3.70000000000000018	0	1	0	0	1	0.550000000000000044
552	255.25	C15H11O4	\N	\N	1	Oc1ccc(cc1)c1ccc2c([o+]1)cc(cc2O)O	19	16	0	1	4	3	72.1299999999999955	73.8299999999999983	-1.92999999999999994	1.76000000000000001	3.5	1.41999999999999993	1.25	1.19999999999999996	-3.08999999999999986	0.20799999999999999	0.000815999999999999994	Soluble	-2.93000000000000016	0.30099999999999999	0.00118000000000000006	Soluble	-3.60000000000000009	0.0646999999999999936	0.000253999999999999994	Soluble	High	Yes	Yes	Yes	No	No	Yes	No	-6.61000000000000032	0	0	0	0	0	0.550000000000000044
553	286.240000000000009	C15H10O6	\N	\N	1	Oc1cc2O/C(=C\\c3ccc(c(c3)O)O)/C(=O)c2c(c1)O	21	12	0	1	6	4	73.9099999999999966	107.219999999999999	1.72999999999999998	2.95000000000000018	2.02000000000000002	0.0899999999999999967	1.80000000000000004	1.71999999999999997	-3.83000000000000007	0.0422999999999999973	0.000147999999999999992	Soluble	-4.86000000000000032	0.00391000000000000028	1.36999999999999993e-05	Moderately soluble	-2.81999999999999984	0.432999999999999996	0.00151000000000000006	Soluble	High	No	No	No	No	No	No	Yes	-5.95000000000000018	0	0	0	0	0	0.550000000000000044
554	302.240000000000009	C15H10O7	\N	\N	1	Oc1cc2O/C(=C\\c3cc(O)c(c(c3)O)O)/C(=O)c2c(c1)O	22	12	0	1	7	5	75.9300000000000068	127.450000000000003	1.59000000000000008	2.37000000000000011	1.71999999999999997	-0.450000000000000011	1.32000000000000006	1.31000000000000005	-3.54000000000000004	0.0861999999999999988	0.000284999999999999989	Soluble	-4.69000000000000039	0.00621000000000000024	2.05999999999999993e-05	Moderately soluble	-2.24000000000000021	1.73999999999999999	0.00576999999999999996	Soluble	High	No	No	No	No	No	No	Yes	-6.45999999999999996	0	0	0	0	0	0.550000000000000044
556	584.870000000000005	C40H56O3	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\[C@]12O[C@]2(C)C[C@H](CC1(C)C)O)/C)/C)/C=C/C=C(/C=C/C1=C(C)C[C@H](CC1(C)C)O)\\C	43	0	0.5	10	3	2	186.280000000000001	52.990000000000002	7.23000000000000043	10.3399999999999999	9.75999999999999979	6.15000000000000036	10.75	8.84999999999999964	-9.32000000000000028	2.80000000000000019e-07	4.78000000000000004e-10	Poorly soluble	-11.3900000000000006	2.36000000000000012e-09	4.03999999999999975e-12	Insoluble	-5.66000000000000014	0.0012800000000000001	2.17999999999999988e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	-2.5299999999999998	2	4	0	1	1	0.170000000000000012
557	596.840000000000032	C40H52O4	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\C1=C(C)C(=O)[C@H](CC1(C)C)O)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)[C@H](CC1(C)C)O)\\C	44	0	0.400000000000000022	10	4	2	187.159999999999997	74.5999999999999943	6.58999999999999986	10.2699999999999996	8.91000000000000014	5.08999999999999986	10.3300000000000001	8.24000000000000021	-9.34999999999999964	2.66000000000000026e-07	4.46000000000000011e-10	Poorly soluble	-11.7699999999999996	1.00000000000000006e-09	1.67999999999999991e-12	Insoluble	-5.67999999999999972	0.00124	2.07999999999999999e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	-2.64999999999999991	2	4	0	1	1	0.170000000000000012
558	394.5	C25H30O4	\N	\N	1	COC(=O)/C=C/C(=C\\C=C\\C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\C(=O)O)/C)/C)\\C)/C	29	0	0.200000000000000011	11	4	1	121.079999999999998	63.6000000000000014	4.74000000000000021	7.51999999999999957	5.80999999999999961	4.45000000000000018	6.13999999999999968	5.73000000000000043	-6.29999999999999982	0.000199000000000000012	5.0399999999999996e-07	Poorly soluble	-8.6899999999999995	8.05000000000000022e-07	2.03999999999999999e-09	Poorly soluble	-1.6100000000000001	9.57000000000000028	0.0242999999999999987	Soluble	High	No	Yes	No	No	Yes	No	No	-3.37000000000000011	1	1	1	0	1	0.560000000000000053
559	564.840000000000032	C40H52O2	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\\C	42	0	0.400000000000000022	10	2	0	184.830000000000013	34.1400000000000006	7.12999999999999989	11.3800000000000008	10.9600000000000009	6.82000000000000028	12.0700000000000003	9.66999999999999993	-9.84999999999999964	7.95000000000000038e-08	1.41000000000000004e-10	Poorly soluble	-12.0800000000000001	4.73000000000000021e-10	8.36999999999999968e-13	Insoluble	-7.33000000000000007	2.61999999999999999e-05	4.62999999999999977e-08	Poorly soluble	Low	No	Yes	No	No	No	No	No	-1.66999999999999993	2	4	0	1	1	0.170000000000000012
560	584.870000000000005	C40H56O3	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\C1=C(C)C[C@H](CC1(C)C)O)/C)/C)/C=C/C=C(/C=C/C(=O)[C@]1(C)C[C@H](CC1(C)C)O)\\C	43	0	0.469999999999999973	11	3	2	187.169999999999987	57.5300000000000011	7	10.5999999999999996	9.8100000000000005	6.08000000000000007	10.6500000000000004	8.83000000000000007	-9.41999999999999993	2.22999999999999998e-07	3.82000000000000025e-10	Poorly soluble	-11.7599999999999998	1.01999999999999999e-09	1.74000000000000006e-12	Insoluble	-5.61000000000000032	0.00144000000000000009	2.47000000000000007e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	-2.33999999999999986	2	4	1	1	1	0.170000000000000012
561	600.870000000000005	C40H56O4	\N	\N	1	O[C@@H]1C[C@@](C(C1)(C)C)(C)C(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C(=O)[C@]1(C)C[C@H](CC1(C)C)O)\\C)\\C)/C)/C	44	0	0.5	12	4	2	187.580000000000013	74.5999999999999943	6.49000000000000021	10.2899999999999991	9.07000000000000028	5.23000000000000043	10.4000000000000004	8.30000000000000071	-9.25999999999999979	3.32999999999999978e-07	5.55000000000000048e-10	Poorly soluble	-11.8000000000000007	9.61999999999999987e-10	1.60000000000000005e-12	Insoluble	-5.28000000000000025	0.00319000000000000013	5.30999999999999998e-06	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-2.66000000000000014	2	4	1	1	2	0.170000000000000012
562	536.870000000000005	C40H56	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\[C@H]1C(=CCCC1(C)C)C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\\C)\\C	40	0	0.400000000000000022	13	0	0	186.330000000000013	0	8.33999999999999986	14.6300000000000008	12.6300000000000008	8.89000000000000057	12.5700000000000003	11.4100000000000001	-11.5299999999999994	1.59000000000000009e-09	2.97000000000000007e-12	Insoluble	-14.7300000000000004	9.92999999999999909e-13	1.85000000000000008e-15	Insoluble	-6.5	0.000167999999999999991	3.1300000000000001e-07	Poorly soluble	Low	No	Yes	No	No	No	No	No	0.810000000000000053	2	4	1	1	2	0.170000000000000012
564	328.399999999999977	C20H24O4	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)\\C	24	0	0.200000000000000011	8	4	2	98.480000000000004	74.5999999999999943	3.33000000000000007	5.41000000000000014	4.61000000000000032	3.52000000000000002	4.16000000000000014	4.20999999999999996	-4.75999999999999979	0.0057499999999999999	1.74999999999999985e-05	Moderately soluble	-6.73000000000000043	6.09000000000000031e-05	1.85000000000000002e-07	Poorly soluble	-0.780000000000000027	54.3999999999999986	0.166000000000000009	Soluble	High	No	No	No	Yes	Yes	No	No	-4.45999999999999996	0	0	0	0	1	0.560000000000000053
565	976.960000000000036	C44H64O24	\N	\N	1	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\\C)\\C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O	68	0	0.640000000000000013	20	24	14	227.189999999999998	391.199999999999989	3.08000000000000007	-2.49000000000000021	-5.23000000000000043	-5.67999999999999972	-3.39999999999999991	-2.74000000000000021	-3.00999999999999979	0.957999999999999963	0.000981000000000000101	Soluble	-5.17999999999999972	0.00642000000000000036	6.56999999999999978e-06	Moderately soluble	6.50999999999999979	3150000000	3230000	Soluble	Low	No	Yes	No	No	No	No	No	-14.0299999999999994	3	4	2	1	6	0.170000000000000012
566	552.870000000000005	C40H56O	\N	\N	1	O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@H]1C(=CCCC1(C)C)C)\\C)\\C)/C)/C)C	41	0	0.450000000000000011	10	1	1	185.590000000000003	20.2300000000000004	7.62000000000000011	12.3000000000000007	11.4299999999999997	7.88999999999999968	11.3800000000000008	10.1199999999999992	-10.3599999999999994	2.42999999999999992e-08	4.40000000000000032e-11	Insoluble	-12.7400000000000002	1.01e-10	1.82000000000000007e-13	Insoluble	-6.32000000000000028	0.000266000000000000015	4.82000000000000001e-07	Poorly soluble	Low	No	Yes	No	No	No	No	No	-0.939999999999999947	2	4	0	1	2	0.170000000000000012
567	552.870000000000005	C40H56O	\N	\N	1	O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\\C)\\C)/C)/C)C	41	0	0.450000000000000011	10	1	1	185.590000000000003	20.2300000000000004	7.59999999999999964	12.25	11.5800000000000001	7.88999999999999968	11.7699999999999996	10.2200000000000006	-10.3300000000000001	2.60999999999999988e-08	4.73000000000000008e-11	Insoluble	-12.6899999999999995	1.12999999999999998e-10	2.0500000000000001e-13	Insoluble	-6.76999999999999957	9.48000000000000004e-05	1.71000000000000009e-07	Poorly soluble	Low	No	Yes	No	No	No	No	No	-0.979999999999999982	2	4	0	1	2	0.170000000000000012
568	566.860000000000014	C40H54O2	\N	\N	1	C/C(=C\\C=C\\C(=C\\C=C/1\\C(=C[C@H](CC1(C)C)O)C)\\C)/C=C/C=C/C(=C/C=C/C(=C/C=C\\1/C(=C[C@H](CC1(C)C)O)C)/C)/C	42	0	0.400000000000000022	9	2	2	186.280000000000001	40.4600000000000009	7.08000000000000007	10.7100000000000009	10.3200000000000003	6.88999999999999968	10.4900000000000002	9.09999999999999964	-9.50999999999999979	1.75999999999999988e-07	3.11000000000000012e-10	Poorly soluble	-11.5099999999999998	1.73000000000000002e-09	3.05999999999999989e-12	Insoluble	-5.46999999999999975	0.0019	3.35000000000000011e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	-2.14999999999999991	2	4	0	1	1	0.170000000000000012
569	584.870000000000005	C40H56O3	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\[C@H]1C=C2[C@@](O1)(C)C[C@H](CC2(C)C)O)/C)/C)/C=C/C=C(/C=C/[C@H]1C(=C[C@@H](CC1(C)C)O)C)\\C	43	0	0.5	9	3	2	186.240000000000009	49.6899999999999977	7.24000000000000021	10.0600000000000005	9.60999999999999943	6.15000000000000036	9.52999999999999936	8.51999999999999957	-9.21000000000000085	3.61000000000000016e-07	6.17000000000000041e-10	Poorly soluble	-11.0299999999999994	5.41000000000000014e-09	9.25000000000000037e-12	Insoluble	-5.20999999999999996	0.0035999999999999999	6.15000000000000041e-06	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-2.72999999999999998	2	4	0	1	1	0.170000000000000012
570	658.909999999999968	C42H58O6	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C(=O)C[C@]12O[C@]2(C)C[C@H](CC1(C)C)O)/C)/C)/C=C/C=C(/C=C=C1C(C)(C)C[C@@H](C[C@@]1(C)O)OC(=O)C)\\C	48	0	0.550000000000000044	12	6	2	197.069999999999993	96.3599999999999994	5.91000000000000014	8.05000000000000071	8.6899999999999995	4.74000000000000021	10.3200000000000003	7.54000000000000004	-8.19999999999999929	4.10999999999999961e-06	6.23999999999999996e-09	Poorly soluble	-9.92999999999999972	7.77000000000000009e-08	1.18000000000000006e-10	Poorly soluble	-5.90000000000000036	0.000831000000000000033	1.26000000000000001e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	-4.59999999999999964	2	4	1	1	2	0.170000000000000012
572	568.870000000000005	C40H56O2	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\[C@H]1C(=C[C@@H](CC1(C)C)O)C)/C)/C)/C=C/C=C(/C=C/[C@H]1C(=C[C@@H](CC1(C)C)O)C)\\C	42	0	0.450000000000000011	10	2	2	186.759999999999991	40.4600000000000009	7.19000000000000039	11.0999999999999996	10.2599999999999998	6.95999999999999996	10.1099999999999994	9.11999999999999922	-9.69999999999999929	1.14000000000000002e-07	2.00000000000000007e-10	Poorly soluble	-11.9199999999999999	6.85000000000000013e-10	1.19999999999999994e-12	Insoluble	-5.04000000000000004	0.00517999999999999971	9.09999999999999927e-06	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-1.8899999999999999	2	4	0	1	1	0.170000000000000012
573	466.439999999999998	C25H22O9	\N	\N	1	OC[C@H]1Oc2cc(ccc2O[C@@H]1c1ccc(c(c1)OC)O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O	34	18	0.239999999999999991	4	9	4	119.390000000000001	134.909999999999997	2.87999999999999989	3.22999999999999998	2.74000000000000021	0.369999999999999996	2.81000000000000005	2.41000000000000014	-4.88999999999999968	0.00595000000000000043	1.27000000000000004e-05	Moderately soluble	-5.74000000000000021	0.00085599999999999999	1.83999999999999996e-06	Moderately soluble	-5.32000000000000028	0.00222000000000000018	4.76000000000000017e-06	Moderately soluble	High	No	No	No	No	Yes	No	Yes	-6.84999999999999964	0	0	0	1	0	0.550000000000000044
574	568.870000000000005	C40H56O2	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\C1=C(C)C[C@H](CC1(C)C)O)/C)/C)/C=C/C=C(/C=C/[C@H]1C(=C[C@@H](CC1(C)C)O)C)\\C	42	0	0.450000000000000011	10	2	2	186.759999999999991	40.4600000000000009	7.28000000000000025	11.0099999999999998	10.4000000000000004	6.95999999999999996	10.5099999999999998	9.23000000000000043	-9.64000000000000057	1.29000000000000004e-07	2.26999999999999992e-10	Poorly soluble	-11.8300000000000001	8.48999999999999963e-10	1.48999999999999991e-12	Insoluble	-5.49000000000000021	0.00184000000000000006	3.22999999999999999e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	-1.94999999999999996	2	4	0	1	1	0.170000000000000012
575	584.870000000000005	C40H56O3	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\[C@]12O[C@]2(C)C[C@H](CC1(C)C)O)/C)/C)/C=C/C=C(/C=C/[C@H]1C(=C[C@@H](CC1(C)C)O)C)\\C	43	0	0.5	10	3	2	186.280000000000001	52.990000000000002	7.24000000000000021	10.4299999999999997	9.60999999999999943	6.15000000000000036	10.3599999999999994	8.75999999999999979	-9.38000000000000078	2.44999999999999984e-07	4.19999999999999997e-10	Poorly soluble	-11.4900000000000002	1.90000000000000006e-09	3.25999999999999984e-12	Insoluble	-5.20999999999999996	0.0035999999999999999	6.15000000000000041e-06	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-2.45999999999999996	2	4	0	1	1	0.170000000000000012
576	552.870000000000005	C40H56O	\N	\N	1	OC/C(=C/CC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\\C)\\C)\\C)/C)/C)/C)/C	41	0	0.349999999999999978	17	1	1	189.389999999999986	20.2300000000000004	7.95999999999999996	14.3100000000000005	11.9100000000000001	8.14000000000000057	12.6999999999999993	11	-11.1600000000000001	3.81999999999999963e-09	6.90000000000000008e-12	Insoluble	-14.8300000000000001	8.26000000000000014e-13	1.48999999999999995e-15	Insoluble	-5.74000000000000021	0.00100000000000000002	1.81999999999999994e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	0.489999999999999991	2	4	1	1	3	0.170000000000000012
577	449.379999999999995	C21H21O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	32	16	0.28999999999999998	4	11	8	108.290000000000006	193.439999999999998	-3.37999999999999989	-1.03000000000000003	0.380000000000000004	-1.76000000000000001	-1.90999999999999992	-1.54000000000000004	-2.08000000000000007	3.70999999999999996	0.00825000000000000039	Soluble	-2.54000000000000004	1.28000000000000003	0.0028500000000000001	Soluble	-0.930000000000000049	52.2999999999999972	0.116000000000000006	Soluble	Low	No	No	No	No	No	No	No	-9.76999999999999957	2	0	1	1	3	0.170000000000000012
578	552.870000000000005	C40H56O	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\[C@@H]1C=C2[C@](O1)(C)CCCC2(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\\C	41	0	0.5	9	1	0	183.919999999999987	9.23000000000000043	7.70000000000000018	12.4700000000000006	11.8200000000000003	7.95999999999999996	11.6799999999999997	10.3200000000000003	-10.5299999999999994	1.63000000000000004e-08	2.95000000000000015e-11	Insoluble	-12.6899999999999995	1.13999999999999994e-10	2.06000000000000006e-13	Insoluble	-7.30999999999999961	2.6999999999999999e-05	4.88000000000000002e-08	Poorly soluble	Low	No	Yes	No	No	No	No	No	-0.819999999999999951	2	4	0	1	2	0.170000000000000012
580	562.82000000000005	C40H50O2	\N	\N	1	C/C(=C\\C=C\\C(=C\\C=C/1\\C(=CC(=O)CC1(C)C)C)\\C)/C=C/C=C/C(=C/C=C/C(=C/C=C\\1/C(=CC(=O)CC1(C)C)C)/C)/C	42	0	0.349999999999999978	9	2	0	184.360000000000014	34.1400000000000006	6.92999999999999972	10.5399999999999991	10.7400000000000002	6.75	11.6699999999999999	9.33000000000000007	-9.38000000000000078	2.36999999999999991e-07	4.20999999999999994e-10	Poorly soluble	-11.2100000000000009	3.51000000000000008e-09	6.22999999999999991e-12	Insoluble	-6.87000000000000011	7.61000000000000066e-05	1.35000000000000004e-07	Poorly soluble	Low	No	Yes	No	No	No	No	No	-2.25	2	4	0	1	1	0.170000000000000012
581	552.870000000000005	C40H56O	\N	\N	1	O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\\C)\\C)\\C)/C)/C)C	41	0	0.400000000000000022	13	1	1	187.490000000000009	20.2300000000000004	8.02999999999999936	13.2300000000000004	11.7400000000000002	7.82000000000000028	12.0999999999999996	10.5800000000000001	-10.7400000000000002	9.94999999999999976e-09	1.79999999999999992e-11	Insoluble	-13.6999999999999993	1.08999999999999992e-11	1.97000000000000006e-14	Insoluble	-6.12999999999999989	0.000409999999999999991	7.40999999999999978e-07	Poorly soluble	Low	No	Yes	No	No	No	No	No	-0.280000000000000027	2	4	1	1	2	0.170000000000000012
582	600.870000000000005	C40H56O4	\N	\N	1	C/C(=C\\C=C\\C=C(\\C=C\\C=C(\\C=C\\[C@]12O[C@]2(C)C[C@H](CC1(C)C)O)/C)/C)/C=C/C=C(/C=C/[C@]12O[C@]2(C)C[C@H](CC1(C)C)O)\\C	44	0	0.550000000000000044	10	4	2	185.800000000000011	65.519999999999996	7.28000000000000025	9.75999999999999979	8.97000000000000064	5.37000000000000011	10.5999999999999996	8.40000000000000036	-9.05000000000000071	5.30000000000000008e-07	8.82999999999999949e-10	Poorly soluble	-11.0600000000000005	5.28999999999999972e-09	8.80999999999999982e-12	Insoluble	-5.37999999999999989	0.00250000000000000005	4.16999999999999989e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	-3.04000000000000004	2	4	0	1	2	0.170000000000000012
583	426.720000000000027	C30H50O	\N	\N	1	C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C	31	0	0.930000000000000049	0	1	1	135.139999999999986	20.2300000000000004	4.65000000000000036	9.00999999999999979	8.01999999999999957	6.91999999999999993	6.51999999999999957	7.03000000000000025	-8.16000000000000014	2.9399999999999998e-06	6.88999999999999999e-09	Poorly soluble	-9.33000000000000007	2.02000000000000009e-07	4.72000000000000024e-10	Poorly soluble	-6.70999999999999996	8.22999999999999947e-05	1.92999999999999994e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-2.50999999999999979	1	3	0	1	2	0.550000000000000044
584	426.720000000000027	C30H50O	\N	\N	1	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C	31	0	0.930000000000000049	0	1	1	134.879999999999995	20.2300000000000004	4.75999999999999979	9.15000000000000036	8.16999999999999993	6.91999999999999993	6.91999999999999993	7.17999999999999972	-8.25	2.39999999999999989e-06	5.62000000000000003e-09	Poorly soluble	-9.47000000000000064	1.43999999999999992e-07	3.38000000000000022e-10	Poorly soluble	-7.16000000000000014	2.93000000000000007e-05	6.8499999999999998e-08	Poorly soluble	Low	No	No	No	No	No	No	No	-2.41000000000000014	1	3	0	1	2	0.550000000000000044
585	488.699999999999989	C30H48O5	\N	\N	1	OC[C@]1(C)[C@@H](O)[C@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@H](CC1)C)C(=O)O)C)C	35	0	0.900000000000000022	2	5	4	139.240000000000009	97.9899999999999949	2.95000000000000018	5.70000000000000018	5.03000000000000025	4.13999999999999968	3.95999999999999996	4.36000000000000032	-6.33000000000000007	0.00022900000000000001	4.68999999999999978e-07	Poorly soluble	-7.51999999999999957	1.46000000000000008e-05	2.9900000000000003e-08	Poorly soluble	-4.28000000000000025	0.0258999999999999994	5.31000000000000032e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-5.23000000000000043	0	3	0	0	1	0.560000000000000053
586	442.720000000000027	C30H50O2	\N	\N	1	OC[C@@]12CC[C@H]([C@@H]2[C@@H]2[C@](CC1)(C)[C@]1(C)CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3(C)C)O)C(=C)C	32	0	0.930000000000000049	2	2	2	136.300000000000011	40.4600000000000009	4.40000000000000036	8.27999999999999936	7	6	6.20999999999999996	6.37999999999999989	-7.66999999999999993	9.48000000000000071e-06	2.13999999999999997e-08	Poorly soluble	-8.99000000000000021	4.4999999999999998e-07	1.01999999999999999e-09	Poorly soluble	-6.16999999999999993	0.000299000000000000004	6.74999999999999996e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-3.12000000000000011	1	3	0	1	1	0.550000000000000044
587	456.699999999999989	C30H48O3	\N	\N	1	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O	33	0	0.900000000000000022	2	3	2	136.909999999999997	57.5300000000000011	3.81000000000000005	8.21000000000000085	7.08999999999999986	5.82000000000000028	5.75	6.13999999999999968	-7.70999999999999996	8.86999999999999978e-06	1.93999999999999984e-08	Poorly soluble	-9.27999999999999936	2.39999999999999979e-07	5.26000000000000045e-10	Poorly soluble	-5.70000000000000018	0.000908999999999999977	1.99000000000000001e-06	Moderately soluble	Low	No	No	No	No	Yes	No	No	-3.25999999999999979	1	3	0	1	1	0.560000000000000053
589	444.730000000000018	C30H52O2	\N	\N	1	CC(=CCC[C@]([C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)(O)C)C	32	0	0.930000000000000049	4	2	2	138.719999999999999	40.4600000000000009	5.07000000000000028	8.53999999999999915	7.53000000000000025	6	6.65000000000000036	6.75999999999999979	-7.70999999999999996	8.60000000000000067e-06	1.93000000000000008e-08	Poorly soluble	-9.25999999999999979	2.42999999999999992e-07	5.45999999999999976e-10	Poorly soluble	-6.16999999999999993	0.000299000000000000004	6.71000000000000013e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-2.95000000000000018	1	3	0	1	1	0.550000000000000044
590	442.720000000000027	C30H50O2	\N	\N	1	CC(=CCC[C@@]([C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)(O)C)C	32	0	0.900000000000000022	4	2	1	137.75	37.2999999999999972	4.90000000000000036	8.23000000000000043	7.74000000000000021	5.88999999999999968	7.24000000000000021	6.79999999999999982	-7.50999999999999979	1.38e-05	3.12000000000000014e-08	Poorly soluble	-8.86999999999999922	5.91000000000000038e-07	1.32999999999999996e-09	Poorly soluble	-6.87000000000000011	5.9700000000000001e-05	1.35000000000000004e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-3.16000000000000014	1	3	0	1	1	0.550000000000000044
669	353.449999999999989	C22H27NO3	\N	\N	1	C=C1C[C@]23CC(=O)[C@H]4[C@@]56[C@@H]3C(=O)[C@@H]1C[C@@H]2[C@H]5N1CCO[C@@H]1[C@]4(C)CCC6	26	0	0.819999999999999951	0	4	0	100.109999999999999	46.6099999999999994	2.75999999999999979	1.67999999999999994	2.18999999999999995	2.83999999999999986	3.04999999999999982	2.5	-3.08999999999999986	0.286999999999999977	0.000813000000000000029	Soluble	-2.27000000000000002	1.87999999999999989	0.00532999999999999967	Soluble	-3.58000000000000007	0.0929999999999999993	0.000262999999999999996	Soluble	High	Yes	Yes	No	No	No	No	No	-7.25999999999999979	0	0	0	0	0	0.550000000000000044
591	456.699999999999989	C30H48O3	\N	\N	1	CC(=CCC[C@@H]([C@@H]1CC[C@]2([C@@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)C)C(=O)O)C	33	0	0.82999999999999996	5	3	2	138.810000000000002	57.5300000000000011	4.29000000000000004	7.46999999999999975	7.54000000000000004	5.73000000000000043	6.74000000000000021	6.34999999999999964	-7.04999999999999982	4.0899999999999998e-05	8.9599999999999995e-08	Poorly soluble	-8.50999999999999979	1.41000000000000005e-06	3.08000000000000012e-09	Poorly soluble	-6.15000000000000036	0.000320000000000000026	7.01000000000000043e-07	Poorly soluble	Low	No	No	No	No	Yes	No	No	-3.7799999999999998	1	3	0	1	1	0.560000000000000053
592	426.720000000000027	C30H50O	\N	\N	1	CC(=CCC[C@H]([C@@H]1CC[C@]2([C@@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)C	31	0	0.869999999999999996	4	1	1	137.039999999999992	20.2300000000000004	5.13999999999999968	8.91000000000000014	8.48000000000000043	6.82000000000000028	7.79000000000000004	7.42999999999999972	-7.83000000000000007	6.2400000000000004e-06	1.46e-08	Poorly soluble	-9.22000000000000064	2.56000000000000016e-07	5.99999999999999996e-10	Poorly soluble	-7.20000000000000018	2.71000000000000014e-05	6.35000000000000061e-08	Poorly soluble	Low	No	No	No	No	No	No	No	-2.58000000000000007	1	3	0	1	2	0.550000000000000044
593	410.720000000000027	C30H50	\N	\N	1	CC([C@H]1CC[C@@H]2[C@]1(C)CC[C@]1([C@@]2(C)CC=C2[C@@H]1CC[C@@H]1[C@]2(C)CCCC1(C)C)C)C	30	0	0.930000000000000049	1	0	0	133.97999999999999	0	5.05999999999999961	10.5399999999999991	9.05000000000000071	8.91000000000000014	7.69000000000000039	8.25	-8.96000000000000085	4.4999999999999998e-07	1.08999999999999996e-09	Poorly soluble	-10.4900000000000002	1.33e-08	3.24999999999999976e-11	Insoluble	-7.54000000000000004	1.20000000000000003e-05	2.92000000000000001e-08	Poorly soluble	Low	No	No	No	No	No	No	No	-1.32000000000000006	1	3	0	1	2	0.550000000000000044
594	426.720000000000027	C30H50O	\N	\N	1	O=C1CC[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C	31	0	0.969999999999999973	0	1	0	134.389999999999986	17.0700000000000003	4.5	9.80000000000000071	8.46000000000000085	6.91999999999999993	7.51999999999999957	7.44000000000000039	-8.66000000000000014	9.33999999999999973e-07	2.19000000000000009e-09	Poorly soluble	-10.0800000000000001	3.56000000000000011e-08	8.32999999999999993e-11	Insoluble	-7.87999999999999989	5.66000000000000002e-06	1.33e-08	Poorly soluble	Low	No	No	No	No	No	No	No	-1.93999999999999995	1	3	0	1	2	0.550000000000000044
595	470.769999999999982	C32H54O2	\N	\N	1	CC(=O)OC[C@H]([C@H]1CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCCC1(C)C)C)C)C	34	0	0.969999999999999973	4	2	0	145.349999999999994	26.3000000000000007	5	10.8200000000000003	8.67999999999999972	7.19000000000000039	7.59999999999999964	7.86000000000000032	-9.3100000000000005	2.29999999999999995e-07	4.87999999999999969e-10	Poorly soluble	-11.3300000000000001	2.19000000000000009e-09	4.65999999999999993e-12	Insoluble	-7.58999999999999986	1.22000000000000001e-05	2.57999999999999994e-08	Poorly soluble	Low	No	No	No	No	No	No	No	-1.48999999999999999	1	3	0	1	1	0.550000000000000044
597	773.669999999999959	C33H41O21	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2ccc(c(c2)O[C@H]2O[C@@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@@H]1O)O)O	54	16	0.550000000000000044	10	21	14	172.539999999999992	351.740000000000009	-3.00999999999999979	-4.63999999999999968	-4.66999999999999993	-5.86000000000000032	-6.12999999999999989	-4.86000000000000032	-1.27000000000000002	41.2999999999999972	0.053400000000000003	Very soluble	-2.12000000000000011	5.83000000000000007	0.00753999999999999983	Soluble	2.70999999999999996	393000	508	Soluble	Low	No	Yes	No	No	No	No	No	-14.3100000000000005	3	4	1	1	5	0.170000000000000012
598	468.75	C32H52O2	\N	\N	1	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]1([C@@H]2[C@@H](CC1)C(=C)C)C)C)C	34	0	0.910000000000000031	3	2	0	144.879999999999995	26.3000000000000007	5.16999999999999993	10.4499999999999993	8.59999999999999964	7.08000000000000007	7.33000000000000007	7.71999999999999975	-9.13000000000000078	3.46000000000000001e-07	7.38000000000000036e-10	Poorly soluble	-10.9499999999999993	5.28999999999999972e-09	1.13000000000000007e-11	Insoluble	-7.34999999999999964	2.08000000000000008e-05	4.44000000000000005e-08	Poorly soluble	Low	No	No	No	No	No	No	No	-1.73999999999999999	1	3	0	1	1	0.550000000000000044
599	444.689999999999998	C29H48O3	\N	\N	1	OC[C@@]12CC[C@H]([C@@H]2[C@@H]2[C@](CC1)(C)[C@]1(C)CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3(C)C)O)C(=O)C	32	0	0.969999999999999973	2	3	2	132.169999999999987	57.5300000000000011	4.03000000000000025	6.26999999999999957	6.00999999999999979	4.91999999999999993	5.50999999999999979	5.34999999999999964	-6.41999999999999993	0.000171000000000000009	3.83999999999999997e-07	Poorly soluble	-7.26999999999999957	2.40999999999999997e-05	5.42000000000000023e-08	Poorly soluble	-5.66999999999999993	0.000948999999999999974	2.12999999999999994e-06	Moderately soluble	High	No	No	No	No	No	No	No	-4.55999999999999961	1	3	0	1	1	0.550000000000000044
600	604.809999999999945	C35H56O8	\N	\N	1	CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](C([C@@H]3CC[C@]2([C@]2([C@H]1[C@H](CC2)[C@]1(C)CC[C@@H](O1)C(O)(C)C)C)C)(C)C)OC(=O)CC(=O)O	43	0	0.910000000000000031	8	8	2	165.409999999999997	119.359999999999999	4.59999999999999964	6.75	6.30999999999999961	4.20000000000000018	5.41999999999999993	5.45000000000000018	-7.30999999999999961	2.93000000000000007e-05	4.84999999999999975e-08	Poorly soluble	-9.0600000000000005	5.23999999999999981e-07	8.66000000000000008e-10	Poorly soluble	-5.58000000000000007	0.00159000000000000005	2.6199999999999999e-06	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-5.20000000000000018	2	4	0	1	2	0.560000000000000053
601	464.639999999999986	C30H40O4	\N	\N	1	COC(=O)[C@]1(C)CC[C@]2([C@@H](C1)[C@]1(C)CC[C@@]3(C(=CC=C4C3=CC(=O)C(=C4C)O)[C@]1(CC2)C)C)C	34	0	0.67000000000000004	2	4	1	135.610000000000014	63.6000000000000014	4.28000000000000025	6.26999999999999957	6.79000000000000004	4.62000000000000011	5.94000000000000039	5.58000000000000007	-6.54000000000000004	0.000134000000000000005	2.89000000000000007e-07	Poorly soluble	-7.38999999999999968	1.87999999999999996e-05	4.03999999999999978e-08	Poorly soluble	-6.49000000000000021	0.00014899999999999999	3.20999999999999976e-07	Poorly soluble	Low	No	Yes	No	No	Yes	No	No	-4.67999999999999972	1	3	0	1	1	0.550000000000000044
602	474.720000000000027	C30H50O4	\N	\N	1	O[C@@H]1C[C@H](CO[C@H]1C(O)(C)C)[C@@H]1CC[C@]2([C@@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)C	34	0	0.930000000000000049	2	4	3	138.849999999999994	69.9200000000000017	4.37999999999999989	6.08999999999999986	5.49000000000000021	4.26999999999999957	4.70999999999999996	4.99000000000000021	-6.49000000000000021	0.000154000000000000003	3.25000000000000012e-07	Poorly soluble	-7.33999999999999986	2.16999999999999989e-05	4.57999999999999998e-08	Poorly soluble	-4.70000000000000018	0.00949000000000000017	2.00000000000000016e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-4.87000000000000011	1	2	0	0	1	0.550000000000000044
603	702.740000000000009	C36H46O14	\N	\N	1	CC(=O)O[C@H]1[C@H]2[C@@H]([C@@H](O)C(=O)[C@@H]3[C@]2(C)[C@@H](OC(=O)C)[C@H]2O[C@H]2C3)[C@H]2[C@@]([C@H]1OC(=O)C)(C)[C@H]1[C@H](C)C=C3[C@]([C@@H]1[C@@H]2OC(=O)C)(C)[C@](C)(O)C(=O)O3	50	0	0.780000000000000027	8	14	2	169.189999999999998	201.560000000000002	3.04999999999999982	1.64999999999999991	1.40999999999999992	1.10000000000000009	1.69999999999999996	1.78000000000000003	-4.70999999999999996	0.0137000000000000004	1.95999999999999987e-05	Moderately soluble	-5.5	0.0022399999999999998	3.18999999999999995e-06	Moderately soluble	-2.62999999999999989	1.64999999999999991	0.00234000000000000007	Soluble	Low	No	Yes	No	No	No	No	No	-9.41999999999999993	2	3	1	1	3	0.170000000000000012
605	426.720000000000027	C30H50O	\N	\N	1	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@@]2(C1=CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C)C	31	0	0.930000000000000049	0	1	1	134.879999999999995	20.2300000000000004	4.82000000000000028	9.30000000000000071	8.16999999999999993	6.91999999999999993	6.91999999999999993	7.23000000000000043	-8.33999999999999986	1.93000000000000016e-06	4.52000000000000011e-09	Poorly soluble	-9.63000000000000078	1.01000000000000004e-07	2.36000000000000012e-10	Poorly soluble	-7.16000000000000014	2.93000000000000007e-05	6.8499999999999998e-08	Poorly soluble	Low	No	No	No	No	No	No	No	-2.29999999999999982	1	3	0	1	2	0.550000000000000044
606	420.579999999999984	C28H36O3	\N	\N	1	C[C@@H]1C[C@@H]2[C@@](CC1=O)(C)CC[C@@]1([C@]2(C)CC[C@@]2(C1=CC=C1C2=CC(=O)C(=C1C)O)C)C	31	0	0.640000000000000013	0	3	1	125.180000000000007	54.3699999999999974	3.66000000000000014	5.40000000000000036	6.41999999999999993	4.26999999999999957	5.62999999999999989	5.08000000000000007	-5.84999999999999964	0.000595000000000000043	1.41000000000000005e-06	Moderately soluble	-6.29999999999999982	0.000212000000000000003	5.05000000000000035e-07	Poorly soluble	-6.12999999999999989	0.000311999999999999994	7.40999999999999978e-07	Poorly soluble	High	No	No	No	No	Yes	No	Yes	-5.03000000000000025	1	1	0	1	1	0.550000000000000044
607	611.529999999999973	C27H31O16	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O	43	16	0.440000000000000002	7	16	11	140.419999999999987	272.589999999999975	-1.69999999999999996	-1.66999999999999993	-2.14000000000000012	-3.81999999999999984	-4.03000000000000025	-2.66999999999999993	-2.39000000000000012	2.47999999999999998	0.00404999999999999978	Soluble	-3.54000000000000004	0.174999999999999989	0.000286999999999999983	Soluble	0.859999999999999987	4460	7.29000000000000004	Soluble	Low	No	No	No	No	No	No	No	-11.2200000000000006	3	4	1	1	4	0.170000000000000012
608	1113.95000000000005	C51H53O28	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2cc(O)c(c(c2)O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(c(c3)O)O)[C@H]([C@@H]([C@@H]2O)O)O)O)O)O[C@@H]2O[C@@H](COC(=O)/C=C/c3ccc(c(c3)O)O)[C@H]([C@@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	79	28	0.349999999999999978	18	28	17	261.350000000000023	465.029999999999973	-7.59999999999999964	-2.20000000000000018	-1.83000000000000007	-5.46999999999999975	-4.05999999999999961	-4.23000000000000043	-4.42999999999999972	0.0408999999999999989	3.66999999999999976e-05	Moderately soluble	-7.03000000000000025	0.000102999999999999996	9.25000000000000011e-08	Poorly soluble	0.440000000000000002	3040	2.72999999999999998	Soluble	Low	No	Yes	No	No	No	No	No	-14.6600000000000001	3	4	2	1	7	0.170000000000000012
629	407.589999999999975	C24H41NO4	\N	\N	1	CN(CCOC(=O)/C=C/1\\CC[C@H]2[C@H]([C@H]1C)[C@@H](O)C[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O)C	29	0	0.880000000000000004	5	5	2	116.650000000000006	70	3.47999999999999998	3.39999999999999991	3.25	2.93999999999999995	2.91999999999999993	3.20000000000000018	-4.17999999999999972	0.0269999999999999997	6.61999999999999964e-05	Moderately soluble	-4.54999999999999982	0.0114999999999999998	2.82000000000000011e-05	Moderately soluble	-3.31000000000000005	0.198000000000000009	0.000485999999999999995	Soluble	High	Yes	No	No	No	No	No	No	-6.37000000000000011	0	0	0	0	0	0.550000000000000044
609	1760.53999999999996	C79H91O45	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](COC(=O)/C=C/c4ccc(c(c4)O)O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(c(c5)O[C@@H]5O[C@H](CO)[C@H]([C@@H]([C@H]5O)O)O)O)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](COC(=O)/C=C/c4ccc(c(c4)O[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)O)[C@H]([C@@H]([C@H]2O)O)O)O)O)c([o+]3)c2ccc(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O	124	34	0.469999999999999973	32	45	25	403.819999999999993	717.779999999999973	-0.170000000000000012	-4.16000000000000014	-6.90000000000000036	-10.9800000000000004	-7.95999999999999996	-6.03000000000000025	-6.23000000000000043	0.00104999999999999994	5.95000000000000021e-07	Poorly soluble	-10.3100000000000005	8.67000000000000021e-08	4.9200000000000002e-11	Insoluble	3.58999999999999986	6830000	3880	Soluble	Low	No	Yes	No	No	No	No	No	-19.9899999999999984	3	4	2	1	7	0.170000000000000012
611	449.379999999999995	C21H21O11	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2ccc(c(c2)O)O)O)[C@@H]([C@H]([C@H]1O)O)O	32	16	0.28999999999999998	4	11	8	108.290000000000006	193.439999999999998	-1.81000000000000005	-1.03000000000000003	0.380000000000000004	-1.76000000000000001	-1.90999999999999992	-1.22999999999999998	-2.08000000000000007	3.70999999999999996	0.00825000000000000039	Soluble	-2.54000000000000004	1.28000000000000003	0.0028500000000000001	Soluble	-0.930000000000000049	52.2999999999999972	0.116000000000000006	Soluble	Low	No	No	No	No	No	No	No	-9.76999999999999957	2	0	1	1	3	0.170000000000000012
612	324.370000000000005	C20H20O4	\N	\N	1	CC(=CCc1c(O)ccc(c1O)C(=O)/C=C/c1ccc(cc1)O)C	24	12	0.149999999999999994	5	4	3	96.0400000000000063	77.7600000000000051	3.02000000000000002	5.09999999999999964	4.09999999999999964	2.70000000000000018	4.21999999999999975	3.83000000000000007	-5.09999999999999964	0.00255000000000000018	7.86999999999999919e-06	Moderately soluble	-6.48000000000000043	0.000107999999999999996	3.34e-07	Poorly soluble	-4.46999999999999975	0.0109	3.35999999999999968e-05	Moderately soluble	High	No	No	Yes	No	Yes	No	Yes	-4.66000000000000014	0	0	0	0	1	0.550000000000000044
613	596.529999999999973	C27H32O15	\N	\N	1	OC[C@H]1O[C@@H](Oc2ccc(c(c2)O)C(=O)/C=C/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	0.440000000000000002	9	15	10	138.580000000000013	256.29000000000002	2.06999999999999984	-0.790000000000000036	-2.75999999999999979	-3.58000000000000007	-2.10999999999999988	-1.42999999999999994	-2.66000000000000014	1.31000000000000005	0.00220000000000000013	Soluble	-4.11000000000000032	0.0459000000000000033	7.70000000000000014e-05	Moderately soluble	0.849999999999999978	4230	7.09999999999999964	Soluble	Low	No	No	No	No	No	No	No	-10.5	3	4	1	1	3	0.170000000000000012
614	256.25	C15H12O4	\N	\N	1	Oc1ccc(cc1)/C=C/C(=O)c1ccc(cc1O)O	19	12	0	3	4	3	72.3199999999999932	77.7600000000000051	2.02000000000000002	3.18000000000000016	2.58999999999999986	1.58000000000000007	2.47999999999999998	2.37000000000000011	-3.70000000000000018	0.0509000000000000008	0.000199000000000000012	Soluble	-4.48000000000000043	0.00841000000000000081	3.27999999999999977e-05	Moderately soluble	-3.22999999999999998	0.149999999999999994	0.000586000000000000041	Soluble	High	Yes	No	Yes	No	Yes	No	Yes	-5.61000000000000032	0	0	0	0	0	0.550000000000000044
615	300.259999999999991	C16H12O6	\N	\N	1	COc1c(O)ccc2c1O/C(=C\\c1ccc(c(c1)O)O)/C2=O	22	12	0.0599999999999999978	2	6	3	78.3799999999999955	96.2199999999999989	2.04999999999999982	2.5	2.31999999999999984	0.340000000000000024	2.31999999999999984	1.90999999999999992	-3.54999999999999982	0.0850000000000000061	0.000282999999999999994	Soluble	-4.16999999999999993	0.0205000000000000009	6.82000000000000043e-05	Moderately soluble	-3.52000000000000002	0.0913000000000000062	0.000304000000000000017	Soluble	High	No	No	Yes	No	No	No	Yes	-6.36000000000000032	0	0	0	0	0	0.550000000000000044
616	271.240000000000009	C15H11O5	\N	\N	1	Oc1cc(O)c2c(c1)[o+]c(cc2)c1ccc(c(c1)O)O	20	16	0	1	5	4	74.1500000000000057	94.0600000000000023	-2.16000000000000014	2.08999999999999986	3.20000000000000018	0.859999999999999987	0.75	0.949999999999999956	-3.35999999999999988	0.117000000000000007	0.000431999999999999984	Soluble	-3.70000000000000018	0.0546999999999999986	0.000202000000000000004	Soluble	-3.02000000000000002	0.26100000000000001	0.000961999999999999965	Soluble	High	No	Yes	Yes	No	No	Yes	No	-6.46999999999999975	0	0	0	0	0	0.550000000000000044
617	859.710000000000036	C39H39O22	\N	\N	1	O=C(/C=C/c1ccc(cc1)O)OC[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2cc(O)c(c(c2)O)O)O)O[C@@H]2O[C@@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O	61	22	0.330000000000000016	15	22	12	200.129999999999995	362.490000000000009	-1.02000000000000002	-1.71999999999999997	-0.550000000000000044	-3.43000000000000016	-2.85999999999999988	-1.91999999999999993	-3.35999999999999988	0.371999999999999997	0.000433000000000000008	Soluble	-5.37999999999999989	0.0035999999999999999	4.17999999999999979e-06	Moderately soluble	-0.520000000000000018	259	0.30099999999999999	Soluble	Low	No	Yes	No	No	No	No	No	-12.7699999999999996	3	4	2	1	4	0.170000000000000012
618	509.629999999999995	C27H43NO8	\N	\N	1	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](OC)[C@]([C@H]3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)C)[C@H](C1)OC)O)OC	36	0	0.959999999999999964	8	9	2	133.530000000000001	106.920000000000002	4.04000000000000004	-0.0100000000000000002	0.46000000000000002	0.479999999999999982	1.22999999999999998	1.23999999999999999	-2.4700000000000002	1.75	0.00341999999999999986	Soluble	-1.79000000000000004	8.33999999999999986	0.0164000000000000014	Very soluble	-2.52000000000000002	1.54000000000000004	0.00301000000000000009	Soluble	High	No	Yes	No	No	No	No	No	-9.41999999999999993	1	3	0	0	0	0.550000000000000044
620	359.5	C22H33NO3	\N	\N	1	OCCN1C[C@]2(C)CCC[C@]34[C@H]1O[C@H](C[C@H]23)[C@]12[C@H]4C[C@H](CC1)C(=C)[C@H]2O	26	0	0.910000000000000031	2	4	2	104.150000000000006	52.9299999999999997	3.29000000000000004	2.43000000000000016	2.16999999999999993	3.04999999999999982	2.58000000000000007	2.70000000000000018	-3.4700000000000002	0.121999999999999997	0.000340999999999999995	Soluble	-3.18000000000000016	0.234999999999999987	0.000653999999999999959	Soluble	-2.91000000000000014	0.445000000000000007	0.00124	Soluble	High	Yes	Yes	No	No	No	No	No	-6.76999999999999957	0	0	0	0	0	0.550000000000000044
621	652.730000000000018	C35H44N2O10	\N	\N	1	CO[C@H]1C[C@@]2(O)[C@H]3[C@H]([C@@H]1C[C@H]3[C@@]13[C@H]4[C@]2(O)[C@@H](OC)[C@@H]1[C@](C=N4)(CC[C@@H]3OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C)OC	47	6	0.709999999999999964	9	11	2	173.870000000000005	153.419999999999987	3	-0.349999999999999978	1.02000000000000002	0.520000000000000018	2.43999999999999995	1.33000000000000007	-3.16999999999999993	0.444000000000000006	0.000680999999999999965	Soluble	-2.41000000000000014	2.54000000000000004	0.00388999999999999979	Soluble	-4.53000000000000025	0.0191999999999999983	2.93999999999999997e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-10.5299999999999994	2	3	1	1	4	0.170000000000000012
622	541.67999999999995	C31H43NO7	\N	\N	1	C/C=C(/C(=O)O[C@@H]1[C@H]2C(=C)C[C@]34[C@H]2[C@@H]2[C@@]5([C@@H]3[C@@H]1OC(=O)/C(=C/C)/C)C[C@@H](O)C[C@]([C@]5([C@H](C4)O)O)(CN2C)C)\\C	39	0	0.739999999999999991	6	8	3	149.150000000000006	116.530000000000001	3.83000000000000007	2.49000000000000021	2.14000000000000012	2.4700000000000002	2.79999999999999982	2.75	-4.37000000000000011	0.0229999999999999996	4.25999999999999987e-05	Moderately soluble	-4.58000000000000007	0.0142000000000000008	2.61999999999999999e-05	Moderately soluble	-2.62000000000000011	1.29000000000000004	0.00238000000000000017	Soluble	High	No	Yes	No	No	No	No	No	-7.83999999999999986	1	3	0	0	0	0.550000000000000044
623	586.720000000000027	C32H46N2O8	\N	\N	1	CO[C@H]1[C@@H]2[C@]3(CC[C@@H]([C@@]42[C@@H]([C@@]1(O)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2OC)OC)N(C3)CC)OC)COC(=O)c1ccccc1N	42	6	0.780000000000000027	9	9	3	157.840000000000003	132.939999999999998	4.17999999999999972	1.52000000000000002	1.35000000000000009	0.92000000000000004	1.59000000000000008	1.90999999999999992	-3.95000000000000018	0.0662999999999999978	0.000112999999999999996	Soluble	-3.91999999999999993	0.0704999999999999932	0.000120000000000000003	Soluble	-4.20000000000000018	0.0372999999999999998	6.34999999999999985e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-8.80000000000000071	1	3	0	1	0	0.550000000000000044
624	343.5	C22H33NO2	\N	\N	1	C=C1[C@H]2CC[C@@]3([C@@H]1O)[C@@H](C2)[C@@]12CCC[C@]([C@H]2CC3)(CN2[C@@H]1OCC2)C	25	0	0.910000000000000031	0	3	1	102.989999999999995	32.7000000000000028	3.56000000000000005	3.58999999999999986	3.20000000000000018	3.89999999999999991	3.18999999999999995	3.49000000000000021	-4.23000000000000043	0.0201999999999999992	5.8699999999999997e-05	Moderately soluble	-3.95999999999999996	0.0374000000000000027	0.000109000000000000007	Soluble	-3.4700000000000002	0.116000000000000006	0.000337000000000000006	Soluble	High	Yes	Yes	No	No	No	No	No	-5.84999999999999964	0	0	0	0	0	0.550000000000000044
625	685.799999999999955	C36H51N3O10	\N	\N	1	CO[C@@H]1[C@@H]2[C@]3(CC[C@@H]([C@@]42[C@@H]([C@@]1(O)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2OC)OC)N(C3)CC)OC)COC(=O)c1ccccc1NC(=O)CCC(=O)N	49	6	0.75	14	11	4	180.27000000000001	179.110000000000014	4.62999999999999989	0.160000000000000003	0.770000000000000018	0.0299999999999999989	1.60000000000000009	1.43999999999999995	-3.35999999999999988	0.299999999999999989	0.000436999999999999997	Soluble	-3.47999999999999998	0.228000000000000008	0.000331999999999999993	Soluble	-4.82000000000000028	0.0103999999999999995	1.52000000000000002e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-10.3699999999999992	2	3	2	1	3	0.170000000000000012
626	666.759999999999991	C36H46N2O10	\N	\N	1	CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@](O)([C@H]([C@H]23)OC)[C@@]1([C@@H]2[C@H]4C[C@@H](C2=O)[C@H](C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C	48	6	0.719999999999999973	9	11	2	177.590000000000003	152.139999999999986	4.08999999999999986	0.320000000000000007	0.82999999999999996	0.699999999999999956	2.16999999999999993	1.62000000000000011	-3.66999999999999993	0.140999999999999986	0.000212000000000000003	Soluble	-3.08000000000000007	0.557000000000000051	0.000835000000000000022	Soluble	-4.82000000000000028	0.0102000000000000007	1.52000000000000002e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-10.1400000000000006	2	3	1	1	4	0.170000000000000012
628	700.82000000000005	C37H52N2O11	\N	\N	1	COC(=O)CCC(=O)Nc1ccccc1C(=O)OC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](OC)[C@]([C@H]3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)O)OC	50	6	0.760000000000000009	15	12	3	183.449999999999989	162.319999999999993	4.96999999999999975	1.1399999999999999	1.45999999999999996	0.609999999999999987	2.41000000000000014	2.12000000000000011	-4	0.0698000000000000009	9.95000000000000062e-05	Moderately soluble	-4.13999999999999968	0.0504000000000000004	7.20000000000000018e-05	Moderately soluble	-5.28000000000000025	0.00366000000000000006	5.22e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	-9.76999999999999957	2	3	2	1	3	0.170000000000000012
630	405.569999999999993	C24H39NO4	\N	\N	1	CN(CCOC(=O)/C=C/1\\CC[C@H]2[C@H]([C@H]1C)C(=O)C[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O)C	29	0	0.82999999999999996	5	5	1	115.689999999999998	66.8400000000000034	3.45999999999999996	3.12000000000000011	3.45999999999999996	2.85000000000000009	3.50999999999999979	3.2799999999999998	-3.99000000000000021	0.0415000000000000022	0.000101999999999999999	Soluble	-4.19000000000000039	0.0259999999999999988	6.4200000000000002e-05	Moderately soluble	-4.00999999999999979	0.0396000000000000033	9.77000000000000031e-05	Moderately soluble	High	Yes	No	No	No	No	No	Yes	-6.55999999999999961	0	0	0	0	0	0.550000000000000044
631	449.579999999999984	C25H39NO6	\N	\N	1	COC[C@]12CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]3N(C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)C)[C@H](C1)OC)O)O	32	0	0.959999999999999964	6	7	2	121.709999999999994	88.4599999999999937	3.99000000000000021	0.949999999999999956	1.07000000000000006	1.6399999999999999	1.48999999999999999	1.83000000000000007	-2.83000000000000007	0.665000000000000036	0.00147999999999999998	Soluble	-2.39000000000000012	1.81000000000000005	0.00402999999999999973	Soluble	-2.33999999999999986	2.04999999999999982	0.00455000000000000022	Soluble	High	No	Yes	No	No	No	No	No	-8.36999999999999922	0	1	0	0	0	0.550000000000000044
632	343.5	C22H33NO2	\N	\N	1	C[C@@H]1[C@@H]2CC[C@@H]3[C@](C1=O)(C2)CC[C@H]1[C@]23CCC[C@@]1(C)CN1[C@H]2OCC1	25	0	0.949999999999999956	0	3	0	102.5	29.5399999999999991	3.43000000000000016	4.16999999999999993	3.49000000000000021	3.89999999999999991	3.50999999999999979	3.70000000000000018	-4.59999999999999964	0.00868999999999999981	2.52999999999999983e-05	Moderately soluble	-4.5	0.0109	3.1699999999999998e-05	Moderately soluble	-3.93999999999999995	0.039800000000000002	0.000116000000000000001	Soluble	High	Yes	No	No	No	No	No	No	-5.42999999999999972	0	0	0	0	0	0.550000000000000044
633	668.769999999999982	C36H48N2O10	\N	\N	1	CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@](O)([C@H]([C@H]23)OC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C	48	6	0.75	9	11	3	178.550000000000011	155.300000000000011	4.58999999999999986	0.469999999999999973	0.619999999999999996	0.780000000000000027	1.58000000000000007	1.6100000000000001	-3.7799999999999998	0.111000000000000001	0.000165999999999999996	Soluble	-3.29999999999999982	0.33500000000000002	0.000501000000000000035	Soluble	-4.12000000000000011	0.050700000000000002	7.59000000000000018e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-10.0500000000000007	2	3	1	1	4	0.170000000000000012
634	714.840000000000032	C38H54N2O11	\N	\N	1	COC(=O)C[C@H](C(=O)Nc1ccccc1C(=O)OC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](OC)[C@]([C@H]3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)O)OC)C	51	6	0.760000000000000009	15	12	3	188.259999999999991	162.319999999999993	5.16999999999999993	1.70999999999999996	1.69999999999999996	0.780000000000000027	2.66000000000000014	2.39999999999999991	-4.45000000000000018	0.0256000000000000012	3.58000000000000028e-05	Moderately soluble	-4.73000000000000043	0.0131999999999999999	1.84e-05	Moderately soluble	-5.29000000000000004	0.00365000000000000003	5.1100000000000002e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	-9.44999999999999929	2	3	2	1	3	0.170000000000000012
636	453.569999999999993	C24H39NO7	\N	\N	1	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](OC)[C@]([C@H]3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)O	32	0	1	5	8	4	119.069999999999993	111.849999999999994	3.08999999999999986	-1.12000000000000011	-0.760000000000000009	-0.0200000000000000004	0.160000000000000003	0.270000000000000018	-1.62000000000000011	11	0.0241999999999999993	Very soluble	-0.739999999999999991	83	0.182999999999999996	Very soluble	-1.22999999999999998	26.8000000000000007	0.0592000000000000026	Soluble	High	No	Yes	No	No	No	No	No	-9.85999999999999943	0	2	0	0	0	0.550000000000000044
637	599.710000000000036	C33H45NO9	\N	\N	1	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@H]3N(C1)C)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2OC(=O)c2ccccc2)([C@H](C1)OC)O)OC(=O)C)OC	43	6	0.760000000000000009	10	10	1	158.370000000000005	112.989999999999995	3.70999999999999996	1.8600000000000001	1.93999999999999995	1.56000000000000005	2.41000000000000014	2.29999999999999982	-4.16999999999999993	0.0401999999999999996	6.71000000000000047e-05	Moderately soluble	-3.85000000000000009	0.0839000000000000024	0.000139999999999999988	Soluble	-4.79000000000000004	0.00983999999999999979	1.63999999999999988e-05	Moderately soluble	High	No	Yes	No	Yes	No	Yes	No	-8.64000000000000057	1	3	0	0	0	0.550000000000000044
638	467.600000000000023	C25H41NO7	\N	\N	1	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](OC)[C@]([C@H]3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)O)O	33	0	1	6	8	3	123.799999999999997	100.849999999999994	3.31000000000000005	-0.57999999999999996	-0.110000000000000001	0.190000000000000002	0.709999999999999964	0.699999999999999956	-1.97999999999999998	4.91999999999999993	0.0105000000000000007	Very soluble	-1.07000000000000006	40.1000000000000014	0.0856999999999999984	Very soluble	-1.91999999999999993	5.66000000000000014	0.0120999999999999996	Soluble	High	No	Yes	No	No	No	No	No	-9.5600000000000005	0	1	0	0	0	0.550000000000000044
639	507.620000000000005	C27H41NO8	\N	\N	1	CO[C@H]1C[C@@]23OCO[C@]43[C@@H](OC(=O)C)[C@H]3[C@@]5([C@@]6(C[C@H]1[C@@H]([C@H]26)OC)O)[C@@H]4N(CC)C[C@]3(C)CC[C@@H]5OC	36	0	0.959999999999999964	6	9	1	131.379999999999995	95.9200000000000017	3.89999999999999991	0.560000000000000053	0.969999999999999973	0.890000000000000013	1.58000000000000007	1.58000000000000007	-2.93999999999999995	0.576999999999999957	0.00113999999999999995	Soluble	-2.14999999999999991	3.62000000000000011	0.00713000000000000005	Soluble	-2.93000000000000016	0.60199999999999998	0.00119000000000000009	Soluble	High	No	Yes	No	No	No	No	No	-9	1	3	0	0	0	0.550000000000000044
640	343.5	C22H33NO2	\N	\N	1	CCN1C[C@]2(C)CCC[C@]34[C@H]1[C@H](C[C@H]23)[C@]12[C@H]4[C@@H](O)[C@H](CC1)C(=C)[C@H]2O	25	0	0.910000000000000031	1	3	2	103.060000000000002	43.7000000000000028	3.41000000000000014	2.37000000000000011	2.43999999999999995	3.49000000000000021	2.68999999999999995	2.87999999999999989	-3.39999999999999991	0.138000000000000012	0.000400999999999999989	Soluble	-2.93000000000000016	0.405000000000000027	0.00118000000000000006	Soluble	-2.93000000000000016	0.405000000000000027	0.00118000000000000006	Soluble	High	Yes	Yes	No	No	No	No	No	-6.70999999999999996	0	0	0	0	0	0.550000000000000044
641	694.809999999999945	C38H50N2O10	\N	\N	1	CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@]1(OCO[C@@]51[C@@H]1[C@H]4C[C@@H]([C@@H]1OC)[C@H](C5)OC)[C@H]([C@H]23)OC)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C	50	6	0.760000000000000009	10	11	0	185.819999999999993	122.299999999999997	5.12000000000000011	1.94999999999999996	2.29000000000000004	1.53000000000000003	2.91999999999999993	2.75999999999999979	-4.80999999999999961	0.0109	1.56999999999999988e-05	Moderately soluble	-4.13999999999999968	0.0500000000000000028	7.18999999999999994e-05	Moderately soluble	-5.69000000000000039	0.00143000000000000006	2.06000000000000018e-06	Moderately soluble	High	No	Yes	No	No	No	No	No	-9.15000000000000036	2	3	0	0	3	0.170000000000000012
642	449.579999999999984	C25H39NO6	\N	\N	1	COC(=O)[C@@]1(C)CCC[C@]2([C@H]1[C@@H](O)C(=O)[C@@H]1[C@@H]2CC/C(=C\\C(=O)OCCN(C)C)/[C@@H]1C)C	32	0	0.800000000000000044	7	7	1	121.780000000000001	93.1400000000000006	4.04000000000000004	2.93999999999999995	2.60999999999999988	2.16000000000000014	3.0299999999999998	2.95999999999999996	-4.01999999999999957	0.0432000000000000023	9.60000000000000024e-05	Moderately soluble	-4.55999999999999961	0.0123999999999999996	2.76999999999999991e-05	Moderately soluble	-3.66000000000000014	0.0990000000000000047	0.000220000000000000008	Soluble	High	No	No	No	No	No	No	Yes	-6.95999999999999996	0	1	0	0	0	0.550000000000000044
643	629.740000000000009	C34H47NO10	\N	\N	1	COC[C@@]12CN(CC)[C@H]3[C@]4([C@@H]2[C@@H](OC)[C@@H]3C2=C[C@@H]([C@]3(C[C@@H]4[C@@H]2[C@H]3OC(=O)c2ccc(c(c2)OC)OC)O)OC)[C@H](C[C@H]1O)OC	45	6	0.739999999999999991	11	11	2	165.909999999999997	125.379999999999995	4.42999999999999972	0.82999999999999996	1.55000000000000004	0.709999999999999964	2.08000000000000007	1.91999999999999993	-3.64000000000000012	0.143999999999999989	0.00022900000000000001	Soluble	-3.04999999999999982	0.566999999999999948	0.000901	Soluble	-4.29000000000000004	0.0326999999999999999	5.19000000000000011e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-9.55000000000000071	2	3	1	0	2	0.170000000000000012
645	343.5	C22H33NO2	\N	\N	1	C=C1[C@@H]2CC[C@@H]3[C@]([C@H]1O)(C2)CC[C@H]1[C@]23CCC[C@@]1(C)[C@@H]1N(C2)CCO1	25	0	0.910000000000000031	0	3	1	102.989999999999995	32.7000000000000028	3.24000000000000021	3.58999999999999986	3.20000000000000018	3.89999999999999991	3.18999999999999995	3.41999999999999993	-4.23000000000000043	0.0201999999999999992	5.8699999999999997e-05	Moderately soluble	-3.95999999999999996	0.0374000000000000027	0.000109000000000000007	Soluble	-3.4700000000000002	0.116000000000000006	0.000337000000000000006	Soluble	High	Yes	Yes	No	No	No	No	No	-5.84999999999999964	0	0	0	0	0	0.550000000000000044
646	329.430000000000007	C20H27NO3	\N	\N	1	O[C@H]1C[C@@]2(C)CN3[C@H]4[C@@]5(C1)[C@@H]2[C@@H]3C[C@]12[C@H]5[C@H](O)[C@H]([C@@H]([C@H]41)O)C(=C)C2	24	0	0.900000000000000022	0	4	3	92.5	63.9299999999999997	2.4700000000000002	0.469999999999999973	0.380000000000000004	2.20000000000000018	0.900000000000000022	1.28000000000000003	-2.18000000000000016	2.18000000000000016	0.00662999999999999961	Soluble	-1.37999999999999989	13.6999999999999993	0.0415000000000000022	Very soluble	-1.10000000000000009	26	0.0788999999999999979	Soluble	High	No	Yes	No	No	No	No	No	-7.98000000000000043	0	0	0	0	0	0.550000000000000044
647	615.710000000000036	C33H45NO10	\N	\N	1	COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)[C@@H]([C@H]3N(C1)C)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2OC(=O)c2ccccc2)([C@H]([C@@H]1O)OC)O)OC(=O)C)OC	44	6	0.760000000000000009	10	11	2	159.530000000000001	133.219999999999999	4.16000000000000014	0.880000000000000004	0.910000000000000031	0.800000000000000044	1.53000000000000003	1.65999999999999992	-3.64999999999999991	0.137000000000000011	0.000222000000000000002	Soluble	-3.25999999999999979	0.337000000000000022	0.00054699999999999996	Soluble	-3.95999999999999996	0.0677999999999999992	0.000110000000000000004	Soluble	High	No	Yes	No	No	No	Yes	No	-9.42999999999999972	2	3	0	1	2	0.170000000000000012
648	375.5	C22H33NO4	\N	\N	1	CN([C@@H]1CO[C@@H]2[C@@]1(C)CC[C@H]1C2=C[C@@H]2[C@@H]3[C@]1(C)CC[C@@H]([C@@]3(C(=O)O2)C)O)C	27	0	0.859999999999999987	1	5	1	102.469999999999999	59	2.66999999999999993	1.95999999999999996	2.37999999999999989	2.52000000000000002	2.12000000000000011	2.33000000000000007	-3.33999999999999986	0.172999999999999987	0.000460000000000000014	Soluble	-2.81999999999999984	0.562999999999999945	0.00150000000000000003	Soluble	-2.93000000000000016	0.440000000000000002	0.00117000000000000003	Soluble	High	Yes	Yes	No	No	No	No	No	-7.20000000000000018	0	0	0	0	0	0.550000000000000044
649	405.480000000000018	C22H31NO6	\N	\N	1	CN([C@H]1CO[C@@H]2[C@@]1(C)CC[C@@H]1[C@@]32O[C@H]3[C@@H]2[C@@H]3[C@@]41CC[C@](OC4)([C@@]3(C(=O)O2)C)O)C	29	0	0.949999999999999956	1	7	1	100.959999999999994	80.7600000000000051	2.2200000000000002	0.609999999999999987	0.930000000000000049	1.41999999999999993	1.67999999999999994	1.37000000000000011	-2.66999999999999993	0.861999999999999988	0.00212999999999999995	Soluble	-1.87999999999999989	5.33999999999999986	0.0131999999999999999	Very soluble	-2.49000000000000021	1.31000000000000005	0.00322000000000000021	Soluble	High	No	Yes	No	No	No	No	No	-8.33999999999999986	0	0	0	0	0	0.550000000000000044
650	629.740000000000009	C34H47NO10	\N	\N	1	COC[C@@]12CN(CC)[C@H]3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H](C2)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC	45	6	0.760000000000000009	11	11	2	164.340000000000003	133.219999999999999	3.49000000000000021	1.25	1.30000000000000004	0.979999999999999982	1.93999999999999995	1.79000000000000004	-3.89999999999999991	0.0785000000000000003	0.000125000000000000003	Soluble	-3.64999999999999991	0.141999999999999987	0.000225999999999999991	Soluble	-4.33999999999999986	0.028500000000000001	4.53000000000000033e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-9.25	2	3	1	1	2	0.170000000000000012
651	675.759999999999991	C35H49NO12	\N	\N	1	COC[C@@]12CN(CC)[C@H]3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccc(cc3)OC)([C@H]([C@@H]2O)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC	48	6	0.770000000000000018	12	13	3	171.990000000000009	162.680000000000007	4.12999999999999989	0.25	0.280000000000000027	-0.0700000000000000067	1.16999999999999993	1.14999999999999991	-3.49000000000000021	0.220000000000000001	0.000324999999999999985	Soluble	-3.22999999999999998	0.401000000000000023	0.000592999999999999994	Soluble	-3.60000000000000009	0.169000000000000011	0.000250999999999999975	Soluble	Low	No	Yes	No	No	No	No	No	-10.2400000000000002	2	3	2	1	3	0.170000000000000012
653	584.700000000000045	C32H44N2O8	\N	\N	1	CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@H](C[C@H]23)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@]1(O)[C@H]2OC)OC)OC)OC(=O)c1ccccc1NC(=O)C	42	6	0.75	9	9	3	157.349999999999994	126.790000000000006	2.91999999999999993	1.59000000000000008	1.64999999999999991	1.23999999999999999	1.93999999999999995	1.87000000000000011	-3.97999999999999998	0.0614000000000000032	0.000105000000000000004	Soluble	-3.85999999999999988	0.0800000000000000017	0.000136999999999999996	Soluble	-4.63999999999999968	0.0132999999999999993	2.26999999999999995e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-8.74000000000000021	1	3	0	0	0	0.550000000000000044
654	341.490000000000009	C22H31NO2	\N	\N	1	CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]31CC[C@H]1[C@]4([C@@H]3CC2)CCC[C@@]1(C)CN=C4	25	0	0.819999999999999951	2	3	0	104.340000000000003	38.6599999999999966	3.2200000000000002	3.41999999999999993	4.17999999999999972	4.09999999999999964	4.79999999999999982	3.93999999999999995	-3.97999999999999998	0.0357999999999999985	0.000105000000000000004	Soluble	-3.91000000000000014	0.0417999999999999969	0.000121999999999999997	Soluble	-4.54000000000000004	0.0098300000000000002	2.87999999999999987e-05	Moderately soluble	High	Yes	No	No	No	No	No	No	-5.95000000000000018	0	0	0	0	0	0.550000000000000044
655	668.769999999999982	C36H48N2O10	\N	\N	1	CO[C@H]1[C@@H]2[C@]3(CC[C@@H]([C@@]42[C@@H]([C@@]1(O)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2OC)OC)N(C3)CC)OC)COC(=O)c1ccccc1N1C(=O)CCC1=O	48	6	0.75	10	11	2	178.47999999999999	144.300000000000011	4.16000000000000014	0.429999999999999993	1.03000000000000003	0.780000000000000027	2.02000000000000002	1.67999999999999994	-3.68999999999999995	0.137000000000000011	0.000203999999999999998	Soluble	-3.0299999999999998	0.627000000000000002	0.000938000000000000032	Soluble	-4.66999999999999993	0.0143999999999999996	2.15999999999999999e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-10.0700000000000003	2	3	1	1	3	0.170000000000000012
656	467.600000000000023	C25H41NO7	\N	\N	1	CO[C@H]1C[C@@]2(O)[C@H]3[C@H]([C@@H]1C[C@H]3[C@@]13[C@H]4[C@]2(O)[C@@H](OC)[C@@H]1[C@@](CN4CC)(CO)CC[C@@H]3OC)OC	33	0	1	6	8	3	123.799999999999997	100.849999999999994	3.77000000000000002	-0.57999999999999996	-0.110000000000000001	0.190000000000000002	0.709999999999999964	0.800000000000000044	-1.97999999999999998	4.91999999999999993	0.0105000000000000007	Very soluble	-1.07000000000000006	40.1000000000000014	0.0856999999999999984	Very soluble	-1.91999999999999993	5.66000000000000014	0.0120999999999999996	Soluble	High	No	Yes	No	No	No	No	No	-9.5600000000000005	0	1	0	0	0	0.550000000000000044
657	631.710000000000036	C33H45NO11	\N	\N	1	COC[C@@]12CN(C)[C@H]3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC	45	6	0.760000000000000009	10	12	3	160.689999999999998	153.449999999999989	3.43999999999999995	-0.0899999999999999967	-0.119999999999999996	0.0500000000000000028	0.650000000000000022	0.780000000000000027	-3.14000000000000012	0.459000000000000019	0.000726999999999999999	Soluble	-2.68000000000000016	1.32000000000000006	0.00208999999999999984	Soluble	-3.12999999999999989	0.467000000000000026	0.000739999999999999989	Soluble	Low	No	Yes	No	No	No	No	No	-10.2200000000000006	2	3	1	1	3	0.170000000000000012
658	682.799999999999955	C37H50N2O10	\N	\N	1	CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@](O)([C@H]([C@H]23)OC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C	49	6	0.760000000000000009	10	11	2	183.289999999999992	144.300000000000011	4.83000000000000007	1	1.27000000000000002	0.949999999999999956	2.14999999999999991	2.04000000000000004	-4.12999999999999989	0.0502000000000000016	7.34999999999999976e-05	Moderately soluble	-3.62000000000000011	0.164000000000000007	0.000240000000000000006	Soluble	-4.79999999999999982	0.0108000000000000006	1.58000000000000012e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-9.75999999999999979	2	3	1	1	3	0.170000000000000012
660	407.54000000000002	C23H37NO5	\N	\N	1	CNCCOC(=O)/C=C/1\\CC[C@H]2[C@H]([C@H]1C)[C@@H](O)C[C@@H]1[C@]2(C)CC[C@@H]([C@]1(C)C=O)O	29	0	0.82999999999999996	6	6	3	111.950000000000003	95.8599999999999994	2.79999999999999982	2.12000000000000011	2.08000000000000007	1.82000000000000006	2.66999999999999993	2.29999999999999982	-3.31000000000000005	0.201000000000000012	0.000493999999999999973	Soluble	-3.75999999999999979	0.0700999999999999956	0.000172000000000000007	Soluble	-3.20000000000000018	0.255000000000000004	0.000626999999999999953	Soluble	High	No	Yes	No	No	No	No	Yes	-7.28000000000000025	0	0	0	0	0	0.550000000000000044
661	710.809999999999945	C38H50N2O11	\N	\N	1	CCN1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@](O)([C@H]([C@H]23)OC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC(=O)C)[C@H](C1)OC)O)OC)COC(=O)c1ccccc1N1C(=O)C[C@@H](C1=O)C	51	6	0.739999999999999991	11	12	2	188.289999999999992	161.370000000000005	4.75	1.04000000000000004	1.18999999999999995	1.52000000000000002	2.12000000000000011	2.12000000000000011	-4.25999999999999979	0.0388000000000000012	5.45000000000000034e-05	Moderately soluble	-4.01999999999999957	0.0680000000000000049	9.56999999999999951e-05	Moderately soluble	-4.70999999999999996	0.0138999999999999992	1.94999999999999996e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-9.90000000000000036	2	3	2	1	4	0.170000000000000012
662	689.789999999999964	C36H51NO12	\N	\N	1	COC[C@@]12CN(CC)[C@H]3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccc(c(c3)OC)OC)([C@H](C2)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC	49	6	0.780000000000000027	13	13	2	177.319999999999993	151.680000000000007	4.13999999999999968	1.18999999999999995	1.31000000000000005	0.380000000000000004	2.14999999999999991	1.83000000000000007	-4.09999999999999964	0.0548999999999999974	7.95999999999999968e-05	Moderately soluble	-3.9700000000000002	0.0737000000000000016	0.000106999999999999999	Soluble	-4.50999999999999979	0.0211000000000000007	3.05999999999999984e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-9.66000000000000014	2	3	2	1	3	0.170000000000000012
663	493.550000000000011	C25H35NO9	\N	\N	1	C[C@H]1CC[C@]2([C@@]3([C@@H]1O)O[C@@]1([C@@]4([C@@]3(O)[C@@]([C@@]2(C)C1)(O)[C@@H]([C@]4(O)C(C)C)OC(=O)c1[nH]ccc1)C)O)O	35	5	0.800000000000000044	4	9	7	120.599999999999994	172.699999999999989	2.41000000000000014	-0.450000000000000011	-0.190000000000000002	-0.270000000000000018	1.27000000000000002	0.550000000000000044	-2.45999999999999996	1.71999999999999997	0.00348000000000000002	Soluble	-2.70999999999999996	0.959999999999999964	0.00194999999999999991	Soluble	-2.49000000000000021	1.60000000000000009	0.00323999999999999982	Soluble	Low	No	Yes	No	No	No	No	No	-9.63000000000000078	1	1	1	1	2	0.550000000000000044
664	714.840000000000032	C38H54N2O11	\N	\N	1	COC(=O)CCC(=O)Nc1ccccc1C(=O)OC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@H](OC)[C@]([C@H]3N(C1)CC)(O)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2OC)[C@H](C1)OC)OC)OC	51	6	0.760000000000000009	16	12	2	188.189999999999998	151.319999999999993	5.11000000000000032	1.66999999999999993	2.10999999999999988	0.780000000000000027	2.97999999999999998	2.5299999999999998	-4.36000000000000032	0.0316000000000000031	4.41000000000000013e-05	Moderately soluble	-4.45999999999999996	0.0246999999999999997	3.44999999999999983e-05	Moderately soluble	-5.95999999999999996	0.000777000000000000021	1.08999999999999994e-06	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-9.47000000000000064	2	3	2	1	4	0.170000000000000012
665	357.490000000000009	C22H31NO3	\N	\N	1	CCN1C[C@]2(C)CC[C@@H]([C@]34[C@H]1[C@H](C[C@H]23)[C@@]12[C@H]4CC(=O)[C@@H](C1)C(=C)[C@H]2O)O	26	0	0.859999999999999987	1	4	2	103.260000000000005	60.7700000000000031	2.7799999999999998	1.10000000000000009	1.62000000000000011	2.5299999999999998	2.37999999999999989	2.08000000000000007	-2.68000000000000016	0.740999999999999992	0.00206999999999999979	Soluble	-1.96999999999999997	3.83999999999999986	0.0106999999999999994	Very soluble	-2.81000000000000005	0.555000000000000049	0.00154999999999999995	Soluble	High	Yes	Yes	No	No	No	No	No	-7.70000000000000018	0	0	0	0	0	0.550000000000000044
667	399.519999999999982	C24H33NO4	\N	\N	1	CC(=O)O[C@H]1C(=C)[C@H]2CC[C@]31[C@@H]1O[C@@H]4[C@]5([C@@H]3C2)[C@H](C1)[C@@]([C@@H]1N4CCO1)(C)CCC5	29	0	0.880000000000000004	2	5	0	111.700000000000003	48	3.50999999999999979	3.4700000000000002	3.10000000000000009	3.75	2.83000000000000007	3.33000000000000007	-4.37000000000000011	0.0170000000000000012	4.25000000000000031e-05	Moderately soluble	-4.16000000000000014	0.0275999999999999995	6.92000000000000015e-05	Moderately soluble	-3.35000000000000009	0.176999999999999991	0.000444000000000000004	Soluble	High	Yes	Yes	No	No	No	No	No	-6.26999999999999957	0	0	0	0	0	0.550000000000000044
668	355.470000000000027	C22H29NO3	\N	\N	1	O=C1C[C@@]23C=C(C)[C@H]4C[C@@H]2[C@@H]2[C@@]5([C@H]1[C@@](C)(CCC5)[C@H]1OCCN21)[C@]3(O)C4	26	0	0.859999999999999987	0	4	1	101.109999999999999	49.7700000000000031	2.95999999999999996	1.56000000000000005	2.12999999999999989	2.93999999999999995	2.56999999999999984	2.43000000000000016	-3.0299999999999998	0.334000000000000019	0.000939999999999999972	Soluble	-2.2200000000000002	2.16999999999999993	0.00608999999999999993	Soluble	-3.08999999999999986	0.291999999999999982	0.000819999999999999982	Soluble	High	Yes	Yes	No	No	No	No	No	-7.36000000000000032	0	0	0	0	0	0.550000000000000044
670	606.919999999999959	C42H58N2O	\N	\N	1	CN1C[C@@H]2CC3=C([C@](C1)(C2)C)CC[C@]12C3=C[C@@H]3[C@H](C1)[C@@]13[C@H]2O[C@@]2(CC1)C[C@]13CC[C@H]4[C@@]56[C@@H]3C[C@@H]2C[C@@H]1[C@H]5N(C)C[C@]4(C)CCC6	45	0	0.900000000000000022	0	3	0	188.759999999999991	15.7100000000000009	5.73000000000000043	6.5	7.09999999999999964	7.15000000000000036	6.41000000000000014	6.58000000000000007	-7.70000000000000018	1.22000000000000001e-05	2.00000000000000004e-08	Poorly soluble	-6.62999999999999989	0.000144000000000000004	2.36999999999999991e-07	Poorly soluble	-7.61000000000000032	1.50000000000000004e-05	2.46999999999999995e-08	Poorly soluble	Low	No	Yes	No	No	No	No	No	-5.38999999999999968	2	4	0	1	3	0.170000000000000012
671	421.569999999999993	C24H39NO5	\N	\N	1	COC[C@]12CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]3N(C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@H]([C@@H]2O)[C@H](C1)OC)O)OC	30	0	1	5	6	2	116.709999999999994	71.3900000000000006	3.97999999999999998	0.910000000000000031	1.14999999999999991	1.57000000000000006	1.54000000000000004	1.83000000000000007	-2.70000000000000018	0.846999999999999975	0.00201000000000000007	Soluble	-1.98999999999999999	4.26999999999999957	0.0100999999999999996	Very soluble	-2.41999999999999993	1.60000000000000009	0.00378999999999999997	Soluble	High	No	Yes	No	No	No	No	No	-8.23000000000000043	0	0	0	0	0	0.550000000000000044
672	369.449999999999989	C22H27NO4	\N	\N	1	OCCN1[C@@H]2[C@H]3C[C@H]4C(=O)[C@H]5[C@]62CCC[C@@](C1=O)([C@H]6C(=O)C[C@@]35CC4=C)C	27	0	0.770000000000000018	2	4	1	102.5	74.6800000000000068	2.16999999999999993	0.340000000000000024	1.3600000000000001	1.91999999999999993	2.93999999999999995	1.75	-2.20999999999999996	2.25999999999999979	0.00613000000000000003	Soluble	-1.46999999999999997	12.5	0.0337000000000000008	Very soluble	-3.62999999999999989	0.0864000000000000046	0.000233999999999999996	Soluble	High	No	Yes	No	No	No	No	No	-8.3100000000000005	0	0	0	0	0	0.550000000000000044
673	509.629999999999995	C27H43NO8	\N	\N	1	CO[C@H]1[C@@H]2[C@]3(CC[C@@H]([C@@]42[C@@H]([C@@]1(O)[C@@]1(O)C[C@@H]([C@H]2C[C@@H]4[C@@H]1[C@H]2OC)OC)N(C3)CC)OC)COC(=O)C	36	0	0.959999999999999964	8	9	2	133.530000000000001	106.920000000000002	3.79000000000000004	-0.0100000000000000002	0.46000000000000002	0.479999999999999982	1.22999999999999998	1.18999999999999995	-2.4700000000000002	1.75	0.00341999999999999986	Soluble	-1.79000000000000004	8.33999999999999986	0.0164000000000000014	Very soluble	-2.52000000000000002	1.54000000000000004	0.00301000000000000009	Soluble	High	No	Yes	No	No	No	No	No	-9.41999999999999993	1	3	0	0	0	0.550000000000000044
675	482.439999999999998	C25H22O10	\N	\N	1	OC[C@@H]1c2cc(cc(c2O[C@H]1c1ccc(c(c1)OC)O)O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O	35	18	0.239999999999999991	4	10	6	121.049999999999997	166.139999999999986	2.31000000000000005	1.56000000000000005	1.76000000000000001	-0.400000000000000022	1.85000000000000009	1.41999999999999993	-3.93000000000000016	0.0565999999999999975	0.000116999999999999998	Soluble	-4.66000000000000014	0.0106	2.19000000000000004e-05	Moderately soluble	-4.17999999999999972	0.0315000000000000002	6.53000000000000016e-05	Moderately soluble	Low	No	No	No	No	No	No	Yes	-8.14000000000000057	1	1	1	1	2	0.550000000000000044
676	655.580000000000041	C29H35O17	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2cc(OC)c(c(c2)OC)O)[C@@H]([C@H]([C@@H]1O)O)O	46	16	0.479999999999999982	9	17	10	151.379999999999995	270.819999999999993	-4.50999999999999979	-1.37000000000000011	-1.83000000000000007	-3.87999999999999989	-3.37999999999999989	-3	-2.70000000000000018	1.29000000000000004	0.00196999999999999996	Soluble	-3.81999999999999984	0.100000000000000006	0.000152000000000000008	Soluble	0.0899999999999999967	814	1.23999999999999999	Soluble	Low	No	No	No	No	No	No	No	-11.2699999999999996	3	4	1	1	4	0.170000000000000012
677	460.600000000000023	C30H36O4	\N	\N	1	CC(=CCc1cc(cc(c1O)CC=C(C)C)[C@@H]1CC(=O)c2c(O1)c(CC=C(C)C)c(cc2)O)C	34	12	0.369999999999999996	7	4	2	140.710000000000008	66.7600000000000051	4.62999999999999989	7.96999999999999975	7.00999999999999979	4.29999999999999982	7.87000000000000011	6.36000000000000032	-7.51999999999999957	1.39999999999999998e-05	3.05000000000000018e-08	Poorly soluble	-9.22000000000000064	2.75000000000000014e-07	5.98000000000000003e-10	Poorly soluble	-7.66999999999999993	9.95999999999999951e-06	2.16000000000000015e-08	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-3.45000000000000018	1	2	0	1	1	0.550000000000000044
678	286.240000000000009	C15H10O6	\N	\N	1	O=C1/C(=C/c2ccc(c(c2)O)O)/Oc2c1ccc(c2O)O	21	12	0	1	6	4	73.9099999999999966	107.219999999999999	1.69999999999999996	2.18000000000000016	2.02000000000000002	0.0899999999999999967	1.80000000000000004	1.56000000000000005	-3.33999999999999986	0.129000000000000004	0.000451999999999999982	Soluble	-4.07000000000000028	0.0246000000000000003	8.61000000000000057e-05	Moderately soluble	-2.81999999999999984	0.432999999999999996	0.00151000000000000006	Soluble	High	No	No	No	No	No	No	Yes	-6.5	0	0	0	0	0	0.550000000000000044
679	282.25	C16H10O5	\N	\N	1	O=C1/C(=C/c2ccccc2)/Oc2c1c1OCOc1c(c2)O	21	12	0.0599999999999999978	1	5	1	73.9099999999999966	64.9899999999999949	2.5	3.06000000000000005	2.62999999999999989	1.29000000000000004	3.14999999999999991	2.5299999999999998	-3.87000000000000011	0.0376999999999999974	0.000133000000000000007	Soluble	-4.08999999999999986	0.0229000000000000002	8.10000000000000037e-05	Moderately soluble	-4.29999999999999982	0.0142000000000000008	5.02000000000000005e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.84999999999999964	0	0	0	0	0	0.550000000000000044
680	913.759999999999991	C42H41O23	\N	\N	1	OC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](COC(=O)/C=C/c4ccc(cc4)O)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1OC(=O)CC(=O)O)O)O	65	22	0.330000000000000016	19	23	10	212.400000000000006	365.399999999999977	-1.41999999999999993	0.429999999999999993	0.0599999999999999978	-2.66999999999999993	-2	-1.12000000000000011	-4.76999999999999957	0.0154000000000000005	1.69000000000000008e-05	Moderately soluble	-7.66999999999999993	1.94999999999999996e-05	2.12999999999999988e-08	Poorly soluble	-1.62000000000000011	21.8999999999999986	0.0239000000000000011	Soluble	Low	No	Yes	No	No	No	No	No	-11.5700000000000003	3	3	2	1	5	0.110000000000000001
682	595.529999999999973	C27H31O15	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	42	16	0.440000000000000002	7	15	10	138.389999999999986	252.360000000000014	-1.17999999999999994	-1.31000000000000005	-1.85000000000000009	-3.35000000000000009	-3.56000000000000005	-2.25	-2.5299999999999998	1.77000000000000002	0.00296999999999999998	Soluble	-3.49000000000000021	0.192000000000000004	0.000322999999999999991	Soluble	0.270000000000000018	1100	1.85000000000000009	Soluble	Low	No	No	No	No	No	No	No	-10.8599999999999994	3	4	1	1	3	0.170000000000000012
683	285.230000000000018	C15H9O6	\N	\N	1	Oc1cc(O)c2c(c1)oc1c2[o+]c2c(c1)cc(c(c2)O)O	21	17	0	0	6	4	75.9899999999999949	107.200000000000003	-2.5	1.34000000000000008	3.43999999999999995	0.739999999999999991	0.869999999999999996	0.780000000000000027	-3.04999999999999982	0.253000000000000003	0.000888000000000000009	Soluble	-3.18999999999999995	0.182999999999999996	0.000640999999999999968	Soluble	-3.58999999999999986	0.0728000000000000036	0.000255000000000000018	Soluble	High	No	Yes	Yes	Yes	No	No	No	-7.08999999999999986	0	0	0	0	0	0.550000000000000044
684	315.300000000000011	C17H15O6	\N	\N	1	COc1cc(O)c2c(c1)[o+]c(c(c2)O)c1ccc(c(c1)OC)O	23	16	0.119999999999999996	3	6	3	85.1099999999999994	92.2900000000000063	-1.20999999999999996	2.58999999999999986	3.50999999999999979	0.810000000000000053	1.28000000000000003	1.39999999999999991	-3.74000000000000021	0.0568999999999999992	0.000181000000000000009	Soluble	-4.17999999999999972	0.0210000000000000013	6.65000000000000037e-05	Moderately soluble	-4.04999999999999982	0.0281999999999999994	8.94999999999999935e-05	Moderately soluble	High	No	Yes	Yes	No	No	Yes	Yes	-6.37999999999999989	0	0	0	0	0	0.550000000000000044
685	378.45999999999998	C24H26O4	\N	\N	1	C/C(=C\\Cc1c(O)cc(cc1c1oc2c(c1)ccc(c2)O)O)/CCC=C(C)C	28	15	0.25	6	4	3	115	73.8299999999999983	3.24000000000000021	6.70000000000000018	6.45000000000000018	3.37000000000000011	5.79000000000000004	5.11000000000000032	-6.41000000000000014	0.000147999999999999992	3.90999999999999994e-07	Poorly soluble	-8.05000000000000071	3.34000000000000021e-06	8.83000000000000032e-09	Poorly soluble	-6.57000000000000028	0.000101000000000000002	2.66999999999999995e-07	Poorly soluble	High	No	No	No	Yes	No	No	No	-3.85000000000000009	0	1	0	1	1	0.550000000000000044
686	478.529999999999973	C25H34O9	\N	\N	1	CC[C@H](C(=O)O[C@H]1C(=O)O[C@H]2[C@]34[C@@H]1[C@@H](C)[C@@H](O)[C@@]([C@@H]4[C@@]1([C@@H](C2)C(=CC(=O)[C@H]1O)C)C)(OC3)O)C	34	0	0.800000000000000044	4	9	3	118.099999999999994	139.590000000000003	2.5	1.06000000000000005	0.729999999999999982	1	1.37999999999999989	1.33000000000000007	-3.20999999999999996	0.294999999999999984	0.000616000000000000011	Soluble	-3.58000000000000007	0.125	0.000261000000000000002	Soluble	-1.91999999999999993	5.76999999999999957	0.0120999999999999996	Soluble	High	No	Yes	No	No	No	No	No	-8.47000000000000064	0	0	0	1	0	0.550000000000000044
687	376.399999999999977	C20H24O7	\N	\N	1	O=C1O[C@@H]2C[C@H]3C(=CC(=O)[C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)C(=C)[C@H]([C@@]3(OC4)O)O)C)O)C	27	0	0.699999999999999956	0	7	3	92.3100000000000023	113.290000000000006	1.56000000000000005	-1.12000000000000011	0.0899999999999999967	0.680000000000000049	1.02000000000000002	0.440000000000000002	-1.46999999999999997	12.8000000000000007	0.0340000000000000024	Very soluble	-0.770000000000000018	64.2000000000000028	0.171000000000000013	Very soluble	-1.56000000000000005	10.4000000000000004	0.0276999999999999989	Soluble	High	No	Yes	No	No	No	No	No	-9.39000000000000057	0	0	0	0	0	0.550000000000000044
688	548.580000000000041	C28H36O11	\N	\N	1	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)/C=C(/C(C)C)\\C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O	39	0	0.709999999999999964	6	11	3	133.75	165.889999999999986	3.18999999999999995	1.65999999999999992	1.14999999999999991	0.309999999999999998	1.79000000000000004	1.62000000000000011	-3.89000000000000012	0.0704999999999999932	0.000128999999999999991	Soluble	-4.75999999999999979	0.00958999999999999957	1.74999999999999985e-05	Moderately soluble	-2.04999999999999982	4.90000000000000036	0.00893000000000000044	Soluble	Low	No	Yes	No	No	No	No	No	-8.47000000000000064	2	3	1	1	2	0.170000000000000012
689	606.610000000000014	C30H38O13	\N	\N	1	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)/C=C(/C(OC(=O)C)(C)C)\\C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O	43	0	0.699999999999999956	8	13	3	144.680000000000007	192.189999999999998	3.02000000000000002	0.810000000000000053	0.839999999999999969	-0.0700000000000000067	1.58000000000000007	1.22999999999999998	-3.58000000000000007	0.158000000000000002	0.000261000000000000002	Soluble	-4.42999999999999972	0.0227000000000000014	3.72999999999999986e-05	Moderately soluble	-2.04999999999999982	5.38999999999999968	0.00889000000000000033	Soluble	Low	No	Yes	No	No	No	No	No	-9.42999999999999972	2	3	1	1	3	0.170000000000000012
690	480.45999999999998	C23H28O11	\N	\N	1	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O	34	0	0.739999999999999991	4	11	3	110.180000000000007	165.889999999999986	1.87000000000000011	-0.550000000000000044	-0.429999999999999993	-0.630000000000000004	0.239999999999999991	0.100000000000000006	-2.20999999999999996	2.9700000000000002	0.00619000000000000019	Soluble	-2.45999999999999996	1.64999999999999991	0.00342999999999999989	Soluble	-1.21999999999999997	29.1999999999999993	0.0607999999999999999	Soluble	Low	No	Yes	No	No	No	No	No	-9.61999999999999922	1	2	1	1	2	0.550000000000000044
691	410.420000000000016	C20H26O9	\N	\N	1	CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@H]1OC(=O)[C@@H]([C@@]3([C@]41[C@@H]2[C@@H](O)[C@@H]([C@]3(OC4)C)O)O)O)C)O	29	0	0.800000000000000044	0	9	5	95.1500000000000057	153.75	-0.489999999999999991	-2.41999999999999993	-1.94999999999999996	-1.19999999999999996	-0.640000000000000013	-1.34000000000000008	-0.859999999999999987	56.7000000000000028	0.138000000000000012	Very soluble	-0.270000000000000018	221	0.539000000000000035	Very soluble	-0.140000000000000013	298	0.725999999999999979	Soluble	Low	No	Yes	No	No	No	No	No	-10.5199999999999996	0	1	1	1	2	0.550000000000000044
692	682.669999999999959	C32H42O16	\N	\N	1	OC[C@H]1O[C@@H](OC2=C[C@@]3(C)[C@H]([C@@H](C2=O)C)C[C@@H]2[C@@]45[C@@H]3[C@@H](O)[C@H](O)[C@]([C@@H]5[C@H](C(=O)O2)OC(=O)C=C(C)C)(OC4)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O	48	0	0.75	8	16	6	156.099999999999994	245.039999999999992	2.41999999999999993	0.140000000000000013	-2.37000000000000011	-2.22999999999999998	-1.30000000000000004	-0.67000000000000004	-3.62999999999999989	0.159000000000000002	0.000232999999999999999	Soluble	-4.83999999999999986	0.0098200000000000006	1.43999999999999993e-05	Moderately soluble	0.619999999999999996	2860	4.19000000000000039	Soluble	Low	No	No	No	No	No	No	No	-10.3599999999999994	3	4	1	1	4	0.170000000000000012
694	478.529999999999973	C25H34O9	\N	\N	1	CC(CC(=O)O[C@H]1C(=O)O[C@H]2[C@]34[C@@H]1[C@@H](C)[C@@H](O)[C@@]([C@@H]4[C@@]1([C@@H](C2)C(=CC(=O)[C@H]1O)C)C)(OC3)O)C	34	0	0.800000000000000044	4	9	3	118.099999999999994	139.590000000000003	2.75999999999999979	0.930000000000000049	0.729999999999999982	1	1.37999999999999989	1.3600000000000001	-3.12999999999999989	0.355999999999999983	0.000742999999999999954	Soluble	-3.45000000000000018	0.171000000000000013	0.000357000000000000004	Soluble	-1.91999999999999993	5.76999999999999957	0.0120999999999999996	Soluble	High	No	Yes	No	No	No	No	No	-8.5600000000000005	0	0	0	1	0	0.550000000000000044
695	380.430000000000007	C20H28O7	\N	\N	1	O=C1O[C@@H]2C[C@H]3C(=C[C@@H]([C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)[C@@H](C)[C@H]([C@@]3(OC4)O)O)C)O)O)C	27	0	0.849999999999999978	0	7	4	93.75	116.450000000000003	1.95999999999999996	-0.689999999999999947	-0.0400000000000000008	0.869999999999999996	0.160000000000000003	0.450000000000000011	-1.76000000000000001	6.54999999999999982	0.0172	Very soluble	-1.28000000000000003	19.8999999999999986	0.0524000000000000021	Very soluble	-0.630000000000000004	89	0.234000000000000014	Soluble	High	No	Yes	No	No	No	No	No	-9.10999999999999943	0	0	0	0	0	0.550000000000000044
696	378.420000000000016	C20H26O7	\N	\N	1	O=C1O[C@@H]2C[C@H]3C(=CC(=O)[C@H]([C@@]3([C@@H]3[C@@]42[C@@H](C1)[C@@H](C)[C@H]([C@@]3(OC4)O)O)C)O)C	27	0	0.800000000000000044	0	7	3	92.7800000000000011	113.290000000000006	1.69999999999999996	-0.359999999999999987	0.170000000000000012	0.770000000000000018	0.75	0.599999999999999978	-1.95999999999999996	4.16000000000000014	0.0109999999999999994	Very soluble	-1.56000000000000005	10.5	0.0277999999999999983	Very soluble	-1.33000000000000007	17.8000000000000007	0.047100000000000003	Soluble	High	No	Yes	No	No	No	No	No	-8.85999999999999943	0	0	0	0	0	0.550000000000000044
697	366.449999999999989	C20H30O6	\N	\N	1	O=C1O[C@@H]2C[C@H]3[C@H](C)C[C@@H]([C@H]([C@@]3([C@@H]3[C@@]2([C@@H](C1)[C@@H](C)[C@@H](C3=O)O)C)C)O)O	26	0	0.900000000000000022	0	6	3	94.25	104.060000000000002	1.53000000000000003	1.26000000000000001	0.910000000000000031	1.26000000000000001	1.03000000000000003	1.19999999999999996	-2.91000000000000014	0.455000000000000016	0.00124	Soluble	-3.04000000000000004	0.331000000000000016	0.000903999999999999964	Soluble	-1.51000000000000001	11.3000000000000007	0.0309000000000000004	Soluble	High	No	Yes	No	No	No	No	No	-7.63999999999999968	0	0	0	0	0	0.550000000000000044
698	348.389999999999986	C19H24O6	\N	\N	1	O=C1C=C(C)[C@H]2[C@@]([C@@H]1O)(C)[C@H]1[C@@H](O)[C@@H]3OC(=O)[C@H]([C@@]1(C(=O)C2)C)[C@H]3C	25	0	0.739999999999999991	0	6	2	88.0100000000000051	100.900000000000006	1.5	0.100000000000000006	0.650000000000000022	0.849999999999999978	1.37000000000000011	0.890000000000000013	-2.06000000000000005	3.00999999999999979	0.0086499999999999997	Soluble	-1.77000000000000002	5.86000000000000032	0.016799999999999999	Very soluble	-1.91999999999999993	4.19000000000000039	0.0120000000000000002	Soluble	High	No	Yes	No	No	No	No	No	-8.34999999999999964	0	0	0	0	0	0.550000000000000044
699	496.550000000000011	C25H36O10	\N	\N	1	CC[C@@](C(=O)O[C@H]1C(=O)O[C@H]2[C@]34[C@@H]1[C@@H](C)[C@@H](O)[C@@]([C@@H]4[C@@]1([C@@H](C2)C(=C[C@@H]([C@H]1O)O)C)C)(OC3)O)(O)C	35	0	0.839999999999999969	4	10	5	120.269999999999996	162.97999999999999	2.5299999999999998	-0.209999999999999992	-0.359999999999999987	0.320000000000000007	0.0400000000000000008	0.469999999999999973	-2.52000000000000002	1.48999999999999999	0.00300000000000000006	Soluble	-2.75999999999999979	0.870999999999999996	0.00175000000000000004	Soluble	-0.630000000000000004	116	0.234000000000000014	Soluble	Low	No	Yes	No	No	No	No	No	-9.48000000000000043	0	2	1	1	1	0.550000000000000044
700	494.529999999999973	C25H34O10	\N	\N	1	CC[C@@](C(=O)O[C@H]1C(=O)O[C@H]2[C@]34[C@@H]1[C@@H](C)[C@@H](O)[C@@]([C@@H]4[C@@]1([C@@H](C2)C(=CC(=O)[C@H]1O)C)C)(OC3)O)(O)C	35	0	0.800000000000000044	4	10	4	119.299999999999997	159.819999999999993	1.92999999999999994	0.130000000000000004	-0.149999999999999994	0.23000000000000001	0.630000000000000004	0.550000000000000044	-2.7200000000000002	0.934000000000000052	0.00188999999999999997	Soluble	-3.04000000000000004	0.44900000000000001	0.000907000000000000037	Soluble	-1.33000000000000007	23.3000000000000007	0.047100000000000003	Soluble	Low	No	Yes	No	No	No	No	No	-9.22000000000000064	0	1	1	1	1	0.550000000000000044
702	446.529999999999973	C25H34O7	\N	\N	1	OC(=O)C[C@H]([C@]1(C)CC=C2[C@@]1(C)[C@H](O)CC(=C2C(=O)O)C[C@]12CC[C@H](O1)C(C2=O)(C)C)C	32	0	0.719999999999999973	6	7	3	118.129999999999995	121.129999999999995	2.4700000000000002	2.2200000000000002	3.5	2.08000000000000007	3.83000000000000007	2.81999999999999984	-3.60999999999999988	0.109	0.000244999999999999992	Soluble	-4.40000000000000036	0.0177999999999999999	3.99000000000000008e-05	Moderately soluble	-3.72999999999999998	0.0836999999999999966	0.000186999999999999992	Soluble	High	No	Yes	No	No	No	No	No	-7.45000000000000018	0	0	0	0	0	0.560000000000000053
703	516.539999999999964	C27H32O10	\N	\N	1	COC(=O)/C=C\\[C@]1(C)[C@H]2CC[C@@]3([C@]4([C@@]2([C@]2([C@]1(O)C(=O)C(O2)(C)C)O)C)O[C@@H]4C(=O)O[C@H]3c1ccoc1)C	37	5	0.67000000000000004	4	10	2	125.019999999999996	145.030000000000001	3.14000000000000012	1.58000000000000007	1.65999999999999992	0.429999999999999993	3.37000000000000011	2.0299999999999998	-3.87000000000000011	0.0690999999999999948	0.000134000000000000005	Soluble	-4.24000000000000021	0.0299999999999999989	5.80000000000000003e-05	Moderately soluble	-4.46999999999999975	0.0177000000000000005	3.41999999999999978e-05	Moderately soluble	Low	No	Yes	No	No	No	Yes	No	-8.33000000000000007	1	1	1	1	0	0.550000000000000044
704	532.580000000000041	C28H36O10	\N	\N	1	CC(=O)O[C@@H]1C[C@H](O)[C@]23[C@H]([C@@]1(C)[C@H](O)OC2)C[C@H]([C@@]1([C@@H]3C(=O)[C@H](O)[C@@]2([C@]31O[C@@H]3C[C@H]2c1ccoc1)C)C)O	38	5	0.790000000000000036	3	10	4	128.849999999999994	159.189999999999998	2.66000000000000014	0.100000000000000006	0.900000000000000022	-0.0200000000000000004	1.41999999999999993	1.01000000000000001	-3.10000000000000009	0.418999999999999984	0.000786000000000000023	Soluble	-3	0.535000000000000031	0.00100000000000000002	Soluble	-2.83000000000000007	0.788000000000000034	0.00147999999999999998	Soluble	Low	No	Yes	No	No	No	Yes	No	-9.48000000000000043	1	2	1	1	1	0.550000000000000044
705	488.529999999999973	C26H32O9	\N	\N	1	O=C1OC[C@]2([C@H](C1)O)[C@@H](CC(=O)[C@@]1([C@@H]2CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)C(O)(C)C	35	5	0.729999999999999982	2	9	2	119.530000000000001	135.800000000000011	2.39999999999999991	0.780000000000000027	1.77000000000000002	0.67000000000000004	2.87999999999999989	1.69999999999999996	-3.33000000000000007	0.226000000000000006	0.000462999999999999978	Soluble	-3.20999999999999996	0.299999999999999989	0.000613000000000000047	Soluble	-4.29000000000000004	0.0250000000000000014	5.11999999999999977e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-8.73000000000000043	0	1	0	1	0	0.550000000000000044
706	522.539999999999964	C26H34O11	\N	\N	1	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)CC(C)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)[C@H](O)C(=O)C=C2C	37	0	0.770000000000000018	6	11	3	124.200000000000003	165.889999999999986	1.18999999999999995	0.309999999999999998	-0.320000000000000007	-0.0100000000000000002	0.900000000000000022	0.419999999999999984	-2.87999999999999989	0.689999999999999947	0.00131999999999999999	Soluble	-3.35999999999999988	0.23000000000000001	0.000440000000000000016	Soluble	-1.56000000000000005	14.4000000000000004	0.0275999999999999995	Soluble	Low	No	Yes	No	No	No	No	No	-9.26999999999999957	2	2	1	1	2	0.170000000000000012
707	480.45999999999998	C23H28O11	\N	\N	1	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)[C@H](O)C(=O)C=C2C	34	0	0.739999999999999991	4	11	3	109.769999999999996	165.889999999999986	2.33999999999999986	-0.949999999999999956	-1.34000000000000008	-0.630000000000000004	-0.149999999999999994	-0.149999999999999994	-1.95999999999999996	5.30999999999999961	0.0111000000000000005	Very soluble	-2.04999999999999982	4.29000000000000004	0.00893000000000000044	Soluble	-0.770000000000000018	82.2999999999999972	0.171000000000000013	Soluble	Low	No	Yes	No	No	No	No	No	-9.91000000000000014	1	2	1	1	2	0.550000000000000044
709	410.5	C22H34O7	\N	\N	1	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)[C@H]1[C@H](O)[C@@H](OC)[C@@]([C@H]3[C@@]1([C@@H](C2)O[C@H](C3)O)C)(C)O	29	0	0.859999999999999987	2	7	3	105.400000000000006	105.450000000000003	2.54000000000000004	1.16999999999999993	1.25	0.5	1.03000000000000003	1.30000000000000004	-2.99000000000000021	0.419999999999999984	0.00102000000000000007	Soluble	-2.97999999999999998	0.429999999999999993	0.00104999999999999994	Soluble	-1.81000000000000005	6.33999999999999986	0.0154999999999999999	Soluble	High	No	Yes	No	No	No	No	No	-7.96999999999999975	0	0	0	0	0	0.550000000000000044
1487	204.349999999999994	C15H24	\N	\N	1	CC1=CCC(C)(C)C=CCC(=CCC1)C	15	0	0.599999999999999978	0	0	0	70.4200000000000017	0	3.27000000000000002	4.54999999999999982	5.04000000000000004	4.53000000000000025	3.91000000000000014	4.25999999999999979	-3.9700000000000002	0.0217000000000000005	0.000106000000000000002	Soluble	-4.26999999999999957	0.0109	5.33999999999999969e-05	Moderately soluble	-3.52000000000000002	0.0618999999999999967	0.000302999999999999992	Soluble	Low	No	No	No	No	Yes	No	No	-4.32000000000000028	1	0	0	0	1	0.550000000000000044
710	514.559999999999945	C28H34O9	\N	\N	1	CC(=O)O[C@H]1CC(=O)OC([C@H]2[C@@]1(C)[C@H]1CC[C@@]3([C@]4([C@@]1(C(=O)C2)C)O[C@@H]4C(=O)O[C@H]3c1ccoc1)C)(C)C	37	5	0.709999999999999964	3	9	0	128.099999999999994	121.640000000000001	3.14999999999999991	2.56999999999999984	3.37000000000000011	1.80000000000000004	4.12999999999999989	3	-4.54999999999999982	0.0145000000000000007	2.80999999999999986e-05	Moderately soluble	-4.76999999999999957	0.00868999999999999981	1.69000000000000008e-05	Moderately soluble	-5.82000000000000028	0.000787999999999999963	1.52999999999999996e-06	Moderately soluble	High	No	Yes	No	No	No	No	No	-7.61000000000000032	1	2	0	0	0	0.550000000000000044
711	454.509999999999991	C26H30O7	\N	\N	1	O=C1C=C[C@]2([C@H](C(O1)(C)C)CC(=O)[C@@]1([C@@H]2CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1ccoc1)C)C)C	33	5	0.650000000000000022	1	7	0	116.730000000000004	95.3400000000000034	2.93000000000000016	3.16000000000000014	3.60000000000000009	2.16000000000000014	4.12000000000000011	3.18999999999999995	-4.69000000000000039	0.00918000000000000066	2.01999999999999997e-05	Moderately soluble	-4.83000000000000007	0.00668000000000000017	1.46999999999999999e-05	Moderately soluble	-5.57000000000000028	0.00122999999999999997	2.70999999999999989e-06	Moderately soluble	High	No	Yes	No	No	No	No	No	-6.83000000000000007	0	0	0	0	0	0.550000000000000044
712	422.509999999999991	C23H34O7	\N	\N	1	CO[C@H]1[C@H](C)[C@@H]2CC(=O)O[C@H]3[C@@]2([C@H]([C@@H]1OC(=O)C)[C@]1(C)[C@@H](C3)[C@H](C)C[C@@H](C1=O)O)C	30	0	0.869999999999999996	3	7	1	108.719999999999999	99.1299999999999955	2.37999999999999989	2.33000000000000007	2.12999999999999989	1.83000000000000007	2.06999999999999984	2.14999999999999991	-3.72999999999999998	0.078799999999999995	0.000185999999999999995	Soluble	-4.04999999999999982	0.0376000000000000015	8.89999999999999949e-05	Moderately soluble	-2.81999999999999984	0.644000000000000017	0.00152000000000000008	Soluble	High	No	Yes	No	No	No	No	No	-7.21999999999999975	0	0	0	0	0	0.550000000000000044
713	536.57000000000005	C27H36O11	\N	\N	1	CC[C@](C(=O)O[C@H]1C(=O)O[C@H]2[C@]34[C@@H]1[C@](C)(OC3)[C@@H](O)[C@@H]([C@@H]4[C@@]1([C@@H](C2)C(=CC(=O)[C@H]1O)C)C)O)(OC(=O)C)C	38	0	0.780000000000000027	6	11	3	129.039999999999992	165.889999999999986	2.9700000000000002	0.25	0.209999999999999992	0.200000000000000011	1.15999999999999992	0.959999999999999964	-2.93000000000000016	0.633000000000000007	0.00118000000000000006	Soluble	-3.29000000000000004	0.27200000000000002	0.000507999999999999988	Soluble	-1.92999999999999994	6.32000000000000028	0.0117999999999999997	Soluble	Low	No	Yes	No	No	No	No	No	-9.40000000000000036	2	2	1	1	2	0.170000000000000012
922	272.300000000000011	C16H16O4	\N	\N	1	COc1cc2OC(C)(C)C=Cc2c2c1c(=O)cc(o2)C	20	10	0.309999999999999998	1	4	0	78.0600000000000023	48.6700000000000017	3.04000000000000004	2.81000000000000005	3.18999999999999995	1.47999999999999998	3.83000000000000007	2.87000000000000011	-3.60000000000000009	0.0680000000000000049	0.000250000000000000005	Soluble	-3.49000000000000021	0.0883000000000000035	0.000324000000000000015	Soluble	-4.99000000000000021	0.00276999999999999989	1.02000000000000006e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	Yes	-5.96999999999999975	0	0	0	0	0	0.550000000000000044
714	388.449999999999989	C22H28O6	\N	\N	1	COC1=C[C@@H](C)[C@H]2[C@@](C1=O)(C)[C@H]1C(=O)C(=C([C@H]3[C@@]1([C@@H](C2)OC(=O)C3)C)C)OC	28	0	0.680000000000000049	2	6	0	101.799999999999997	78.9000000000000057	2.31000000000000005	2.37999999999999989	2.81999999999999984	1.42999999999999994	3.08000000000000007	2.39999999999999991	-3.62000000000000011	0.0941000000000000031	0.000242	Soluble	-3.68000000000000016	0.0816000000000000059	0.000210000000000000009	Soluble	-4	0.0383999999999999966	9.89000000000000052e-05	Moderately soluble	High	Yes	Yes	No	No	No	No	No	-6.98000000000000043	0	0	0	0	0	0.550000000000000044
715	486.509999999999991	C26H30O9	\N	\N	1	O=C1OC[C@]23[C@H](C1)OC([C@@H]2C(=O)[C@@H]([C@@]1([C@@H]3CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)O)(C)C	35	5	0.729999999999999982	1	9	1	117.329999999999998	124.799999999999997	2.2799999999999998	1.25	1.78000000000000003	0.67000000000000004	2.93999999999999995	1.79000000000000004	-3.68000000000000016	0.101000000000000006	0.00020699999999999999	Soluble	-3.4700000000000002	0.165000000000000008	0.000340000000000000024	Soluble	-4.58999999999999986	0.0125000000000000007	2.57000000000000013e-05	Moderately soluble	High	No	Yes	No	Yes	No	Yes	No	-8.38000000000000078	0	1	0	0	0	0.550000000000000044
716	596.710000000000036	C34H44O9	\N	\N	1	COC(=O)C[C@H]1[C@@]2(C)[C@@H](OC(=O)/C(=C/C)/C)C[C@H]([C@@]3([C@@H]2[C@H]([C@@H]2[C@@]1(C)C1=C(C)[C@@H](C[C@H]1O2)c1ccoc1)OC3)C)OC(=O)C	43	5	0.680000000000000049	9	9	0	156.800000000000011	110.5	4.11000000000000032	3.93000000000000016	5.29000000000000004	2.85999999999999988	5	4.24000000000000021	-5.50999999999999979	0.00185000000000000008	3.10999999999999987e-06	Moderately soluble	-5.95000000000000018	0.000670000000000000023	1.12000000000000008e-06	Moderately soluble	-5.96999999999999975	0.000631999999999999966	1.06000000000000002e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	-7.15000000000000036	1	3	0	0	0	0.550000000000000044
718	504.480000000000018	C25H28O11	\N	\N	1	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)C=C1OC(=O)C=C1[C@H]2C	36	0	0.680000000000000049	4	11	2	116.719999999999999	154.889999999999986	3.04000000000000004	0.5	-0.220000000000000001	0.520000000000000018	0.390000000000000013	0.849999999999999978	-3.02000000000000002	0.482999999999999985	0.000957999999999999976	Soluble	-3.31999999999999984	0.239999999999999991	0.000476000000000000023	Soluble	-1.3600000000000001	22.1999999999999993	0.0439999999999999974	Soluble	Low	No	Yes	No	No	No	No	No	-9.01999999999999957	2	1	1	1	2	0.170000000000000012
719	478.529999999999973	C25H34O9	\N	\N	1	CC[C@H](C(=O)O[C@H]1C(=O)O[C@H]2[C@]34[C@@H]1[C@](C)(OC3)[C@@H](O)[C@@H]([C@@H]4[C@@]1([C@@H](C2)C(=CC(=O)[C@H]1O)C)C)O)C	34	0	0.800000000000000044	4	9	3	118.099999999999994	139.590000000000003	2.37000000000000011	0.609999999999999987	0.530000000000000027	0.599999999999999978	1.37999999999999989	1.10000000000000009	-2.93000000000000016	0.565999999999999948	0.00118000000000000006	Soluble	-3.12000000000000011	0.366999999999999993	0.000765999999999999971	Soluble	-1.91999999999999993	5.76999999999999957	0.0120999999999999996	Soluble	High	No	Yes	No	No	No	No	No	-8.78999999999999915	0	0	0	1	0	0.550000000000000044
720	494.529999999999973	C25H34O10	\N	\N	1	O=C(CC(O)(C)C)O[C@H]1C(=O)O[C@H]2[C@]34[C@@H]1[C@@H](C)[C@@H](O)[C@@]([C@@H]4[C@@]1([C@@H](C2)C(=CC(=O)[C@H]1O)C)C)(OC3)O	35	0	0.800000000000000044	4	10	4	119.299999999999997	159.819999999999993	2.81999999999999984	-0.469999999999999973	-0.149999999999999994	0.23000000000000001	0.630000000000000004	0.609999999999999987	-2.35000000000000009	2.22999999999999998	0.00451000000000000012	Soluble	-2.41999999999999993	1.87999999999999989	0.00379999999999999999	Soluble	-1.33000000000000007	23.3000000000000007	0.047100000000000003	Soluble	Low	No	Yes	No	No	No	No	No	-9.65000000000000036	0	1	1	1	1	0.550000000000000044
721	554.629999999999995	C31H38O9	\N	\N	1	COC(=O)C[C@@H]1[C@](C)(C=CC(=O)C1(C)C)[C@H]1[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2([C@]3(C1=C)O[C@@H]3C[C@H]2c1cocc1)C	40	5	0.609999999999999987	9	9	0	143.650000000000006	121.640000000000001	3.29000000000000004	3.04000000000000004	4.30999999999999961	2.22999999999999998	4.87000000000000011	3.54999999999999982	-4.69000000000000039	0.0112999999999999993	2.02999999999999988e-05	Moderately soluble	-5.25999999999999979	0.00305000000000000019	5.48999999999999995e-06	Moderately soluble	-5.83000000000000007	0.00082600000000000002	1.48999999999999992e-06	Moderately soluble	High	No	Yes	No	No	No	No	No	-7.51999999999999957	1	3	0	0	0	0.550000000000000044
722	674.730000000000018	C35H46O13	\N	\N	1	CC[C@H](C(=O)O[C@H]1OC[C@@]23[C@H]([C@]1(C)[C@H](OC(=O)C)[C@@H]([C@@H]2O)OC(=O)C)C[C@H]([C@@]1([C@@H]3C(=O)[C@@H](O)[C@@]2([C@]31O[C@@H]3C[C@H]2c1ccoc1)C)C)O)C	48	5	0.770000000000000018	9	13	3	163.909999999999997	191.560000000000002	3.70000000000000018	1.66999999999999993	2.0299999999999998	0.489999999999999991	2.64999999999999991	2.10999999999999988	-4.55999999999999961	0.0185999999999999985	2.76e-05	Moderately soluble	-5.30999999999999961	0.00333000000000000006	4.93000000000000023e-06	Moderately soluble	-3.97999999999999998	0.0709999999999999937	0.000105000000000000004	Soluble	Low	No	Yes	No	No	No	No	No	-9.23000000000000043	2	3	1	1	3	0.170000000000000012
723	534.549999999999955	C27H34O11	\N	\N	1	C/C=C(/C(=O)O[C@H]1[C@H]2OC(=O)[C@@H]([C@@H]3[C@@]42CO[C@]([C@@H]4[C@@]2([C@@H]1C(=CC(=O)[C@H]2O)C)C)([C@@H]([C@@H]3C)O)O)OC(=O)C)\\C	38	0	0.699999999999999956	5	11	3	128.530000000000001	165.889999999999986	2.43000000000000016	0.46000000000000002	0.200000000000000011	0.520000000000000018	0.859999999999999987	0.890000000000000013	-3.10999999999999988	0.410999999999999976	0.000769000000000000044	Soluble	-3.50999999999999979	0.164000000000000007	0.000306999999999999981	Soluble	-1.34000000000000008	24.5	0.0459000000000000033	Soluble	Low	No	Yes	No	No	No	No	No	-9.23000000000000043	2	2	1	1	2	0.170000000000000012
724	470.509999999999991	C26H30O8	\N	\N	1	O=C1C=C[C@]2([C@H](C(O1)(C)C)CC(=O)[C@@]1([C@@H]2[C@@H](O)C[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1ccoc1)C)C)C	34	5	0.650000000000000022	1	8	1	117.890000000000001	115.569999999999993	2.7200000000000002	2	2.56999999999999984	1.37000000000000011	3.22999999999999998	2.37999999999999989	-4.05999999999999961	0.0410000000000000017	8.71000000000000029e-05	Moderately soluble	-4.04999999999999982	0.0415999999999999981	8.83999999999999939e-05	Moderately soluble	-4.75	0.00846000000000000051	1.80000000000000005e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-7.75	0	0	0	0	0	0.550000000000000044
726	780.980000000000018	C42H68O13	\N	\N	1	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC/C(=C/CC[C@H]([C@H]3CC[C@@]4([C@]3(C)CC(=O)[C@@]3([C@H]4CC=C4[C@H]3CC[C@@H](C4(C)C)O)C)C)C)/C)[C@H]([C@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O	55	0	0.880000000000000004	11	13	8	203.169999999999987	215.830000000000013	3.72999999999999998	2.56000000000000005	2.12999999999999989	-0.0299999999999999989	2.45000000000000018	2.16999999999999993	-5.57000000000000028	0.0021099999999999999	2.69999999999999998e-06	Moderately soluble	-6.74000000000000021	0.000142000000000000009	1.81999999999999989e-07	Poorly soluble	-2.39999999999999991	3.06999999999999984	0.00393999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-9.25	3	3	2	1	4	0.170000000000000012
727	943.120000000000005	C48H78O18	\N	\N	1	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC/C(=C/CC[C@H]([C@H]3CC[C@@]4([C@]3(C)CC(=O)[C@@]3([C@H]4CC=C4[C@H]3CC[C@@H](C4(C)C)O[C@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	66	0	0.900000000000000022	14	18	11	235.550000000000011	294.980000000000018	4.36000000000000032	0.969999999999999973	-0.0400000000000000008	-2.31000000000000005	0.400000000000000022	0.680000000000000049	-5.37000000000000011	0.00398000000000000003	4.22000000000000025e-06	Moderately soluble	-6.75	0.000166999999999999994	1.7700000000000001e-07	Poorly soluble	-0.530000000000000027	279	0.295999999999999985	Soluble	Low	No	Yes	No	No	No	No	No	-11.3599999999999994	3	3	2	1	4	0.170000000000000012
728	945.139999999999986	C48H80O18	\N	\N	1	OC[C@H]1O[C@@H](OC[C@@H]2O[C@@H](OC/C(=C/CC[C@H]([C@H]3CC[C@@]4([C@]3(C)C[C@@H](O)[C@@]3([C@H]4CC=C4[C@H]3CC[C@@H](C4(C)C)O[C@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	66	0	0.92000000000000004	14	18	12	236.52000000000001	298.139999999999986	3.87000000000000011	1.28000000000000003	-0.25	-2.20999999999999996	-0.179999999999999993	0.5	-5.58000000000000007	0.00246999999999999997	2.6199999999999999e-06	Moderately soluble	-7.13999999999999968	6.83999999999999956e-05	7.23999999999999998e-08	Poorly soluble	0.170000000000000012	1390	1.47999999999999998	Soluble	Low	No	Yes	No	No	No	No	No	-11.1600000000000001	3	3	2	1	4	0.170000000000000012
729	574.700000000000045	C32H46O9	\N	\N	1	OC[C@]12C(=O)C[C@]3([C@@]([C@@H]2CC=C2[C@H]1C[C@H](O)C(=O)C2(C)C)(C)C[C@H]([C@@H]3[C@](C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)O)C	41	0	0.75	7	9	4	152.099999999999994	158.430000000000007	3.52000000000000002	1.96999999999999997	2.4700000000000002	0.989999999999999991	3.91000000000000014	2.56999999999999984	-4.17999999999999972	0.0378000000000000003	6.56999999999999978e-05	Moderately soluble	-4.91999999999999993	0.00687000000000000024	1.20000000000000003e-05	Moderately soluble	-3.68999999999999995	0.118999999999999995	0.00020699999999999999	Soluble	Low	No	No	No	No	No	No	Yes	-8.41000000000000014	1	3	1	1	1	0.550000000000000044
730	558.700000000000045	C32H46O8	\N	\N	1	CC(=O)OC(/C=C/C(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C[C@H](O)C(=O)C2(C)C)C)C)(O)C)(C)C	40	0	0.75	6	8	3	150.939999999999998	138.199999999999989	3.81000000000000005	2.64000000000000012	3.5	1.76000000000000001	4.5	3.24000000000000021	-4.57000000000000028	0.0149999999999999994	2.68000000000000009e-05	Moderately soluble	-5.19000000000000039	0.00357999999999999985	6.40999999999999961e-06	Moderately soluble	-4.25999999999999979	0.0304999999999999993	5.4599999999999999e-05	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-7.83000000000000007	1	3	0	1	0	0.550000000000000044
731	560.720000000000027	C32H48O8	\N	\N	1	OC[C@]12C(=O)C[C@]3([C@@]([C@@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)(C)C[C@H]([C@@H]3[C@](C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)O)C	40	0	0.780000000000000027	7	8	4	151.900000000000006	141.360000000000014	3.79999999999999982	2.81999999999999984	3.29000000000000004	1.85000000000000009	4.20000000000000018	3.18999999999999995	-4.62999999999999989	0.0131000000000000005	2.33999999999999996e-05	Moderately soluble	-5.45000000000000018	0.00201000000000000007	3.58000000000000003e-06	Moderately soluble	-3.81000000000000005	0.0859999999999999931	0.000153000000000000006	Soluble	Low	No	Yes	No	No	No	No	Yes	-7.71999999999999975	1	3	1	1	0	0.550000000000000044
732	516.669999999999959	C30H44O7	\N	\N	1	O[C@H]1C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C1=O)(C)C	37	0	0.770000000000000018	4	7	4	141.199999999999989	132.129999999999995	2.91999999999999993	2.06000000000000005	2.93000000000000016	1.43999999999999995	3.95000000000000018	2.66000000000000014	-4.08000000000000007	0.0432999999999999982	8.37000000000000016e-05	Moderately soluble	-4.45999999999999996	0.0177999999999999999	3.44000000000000027e-05	Moderately soluble	-3.66000000000000014	0.113000000000000003	0.000218000000000000013	Soluble	High	No	Yes	No	No	No	No	Yes	-7.99000000000000021	1	3	0	1	0	0.550000000000000044
734	518.67999999999995	C30H46O7	\N	\N	1	O[C@H]1C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C([C@@H]1O)(C)C	37	0	0.800000000000000044	4	7	5	142.169999999999987	135.289999999999992	3.08999999999999986	1.93999999999999995	2.7200000000000002	1.53000000000000003	3.37000000000000011	2.5299999999999998	-4.00999999999999979	0.0502000000000000016	9.67999999999999948e-05	Moderately soluble	-4.41000000000000014	0.0204000000000000015	3.92999999999999998e-05	Moderately soluble	-2.9700000000000002	0.561000000000000054	0.00108000000000000001	Soluble	High	No	Yes	No	No	No	No	Yes	-8.08999999999999986	1	3	0	1	0	0.550000000000000044
735	534.67999999999995	C30H46O8	\N	\N	1	O[C@H]1C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)C[C@H](C(O)(C)C)O)(O)C)O)C)C(C1=O)(C)C	38	0	0.82999999999999996	5	8	5	142.840000000000003	152.360000000000014	2.56999999999999984	1.14999999999999991	2.12000000000000011	0.739999999999999991	3.37000000000000011	1.98999999999999999	-3.54999999999999982	0.150999999999999995	0.000282000000000000024	Soluble	-3.93999999999999995	0.0607999999999999999	0.000114000000000000006	Soluble	-3.43000000000000016	0.19900000000000001	0.000371999999999999989	Soluble	Low	No	Yes	No	No	No	No	Yes	-8.75	1	3	1	1	1	0.550000000000000044
736	514.649999999999977	C30H42O7	\N	\N	1	OC1=C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C1=O)(C)C	37	0	0.699999999999999956	4	7	4	141.139999999999986	132.129999999999995	3.16999999999999993	2.68000000000000016	3.62000000000000011	1.3600000000000001	3.93999999999999995	2.95000000000000018	-4.45999999999999996	0.0179999999999999986	3.50999999999999994e-05	Moderately soluble	-5.11000000000000032	0.00402000000000000014	7.81999999999999967e-06	Moderately soluble	-3.64999999999999991	0.116000000000000006	0.000225999999999999991	Soluble	Low	No	Yes	No	No	No	No	Yes	-7.54000000000000004	1	3	0	1	0	0.550000000000000044
737	532.669999999999959	C30H44O8	\N	\N	1	OC1=C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)C[C@@H](C(O)(C)C)O)(O)C)O)C)C(C1=O)(C)C	38	0	0.770000000000000018	5	8	5	142.780000000000001	152.360000000000014	2.91000000000000014	1.76000000000000001	2.81000000000000005	0.660000000000000031	3.35000000000000009	2.29999999999999982	-3.91999999999999993	0.0637999999999999956	0.000120000000000000003	Soluble	-4.58000000000000007	0.0140999999999999997	2.65000000000000004e-05	Moderately soluble	-3.41000000000000014	0.205999999999999989	0.000386000000000000004	Soluble	Low	No	Yes	No	No	No	No	Yes	-8.30000000000000071	1	3	1	1	1	0.550000000000000044
738	516.669999999999959	C30H44O7	\N	\N	1	OC1=C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C(C1=O)(C)C	37	0	0.770000000000000018	5	7	4	141.610000000000014	132.129999999999995	3.27000000000000002	2.74000000000000021	3.83999999999999986	1.43999999999999995	4.12000000000000011	3.08000000000000007	-4.44000000000000039	0.0188000000000000007	3.63000000000000014e-05	Moderately soluble	-5.16999999999999993	0.00350000000000000007	6.7700000000000004e-06	Moderately soluble	-4.36000000000000032	0.0223000000000000004	4.33000000000000022e-05	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-7.50999999999999979	1	3	0	1	0	0.550000000000000044
739	518.67999999999995	C30H46O7	\N	\N	1	O[C@@H]1C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C([C@@H]1O)(C)C	37	0	0.800000000000000044	4	7	5	142.169999999999987	135.289999999999992	3.2799999999999998	1.93999999999999995	2.7200000000000002	1.53000000000000003	3.37000000000000011	2.56999999999999984	-4.00999999999999979	0.0502000000000000016	9.67999999999999948e-05	Moderately soluble	-4.41000000000000014	0.0204000000000000015	3.92999999999999998e-05	Moderately soluble	-2.9700000000000002	0.561000000000000054	0.00108000000000000001	Soluble	High	No	Yes	No	No	No	No	Yes	-8.08999999999999986	1	3	0	1	0	0.550000000000000044
740	520.700000000000045	C30H48O7	\N	\N	1	O[C@@H]1C[C@@H]2C(=CC[C@@H]3[C@@]2(C)C(=O)C[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)CCC(O)(C)C)(O)C)O)C)C([C@@H]1O)(C)C	37	0	0.869999999999999996	5	7	5	142.639999999999986	135.289999999999992	3.43000000000000016	2	2.93999999999999995	1.62000000000000011	3.54000000000000004	2.70999999999999996	-4	0.0522999999999999993	0.000100000000000000005	Soluble	-4.46999999999999975	0.0177000000000000005	3.41000000000000022e-05	Moderately soluble	-3.68000000000000016	0.107999999999999999	0.00020699999999999999	Soluble	High	No	Yes	No	No	No	No	Yes	-8.0600000000000005	1	3	0	1	0	0.550000000000000044
741	560.720000000000027	C32H48O8	\N	\N	1	CC(=O)OC(/C=C/C(=O)[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C[C@@H](O)[C@H](C2(C)C)O)C)C)(O)C)(C)C	40	0	0.780000000000000027	6	8	4	151.900000000000006	141.360000000000014	4.24000000000000021	2.50999999999999979	3.29000000000000004	1.85000000000000009	3.91000000000000014	3.16000000000000014	-4.5	0.0177000000000000005	3.15e-05	Moderately soluble	-5.12000000000000011	0.0042100000000000002	7.51000000000000009e-06	Moderately soluble	-3.56999999999999984	0.151999999999999996	0.000271999999999999998	Soluble	Low	No	No	No	No	No	No	Yes	-7.94000000000000039	1	3	1	1	0	0.550000000000000044
743	500.670000000000016	C30H44O6	\N	\N	1	OC1=C[C@@H]2C(=CC[C@@H]3[C@@]2(C)CC[C@]2([C@@]3(C)C[C@H]([C@@H]2[C@](C(=O)/C=C/C(O)(C)C)(O)C)O)C)C(C1=O)(C)C	36	0	0.729999999999999982	4	6	4	140.939999999999998	115.060000000000002	3.58999999999999986	4.33999999999999986	4.44000000000000039	2.24000000000000021	4.23000000000000043	3.77000000000000002	-5.41000000000000014	0.00193000000000000007	3.85000000000000041e-06	Moderately soluble	-6.46999999999999975	0.000168999999999999988	3.37999999999999983e-07	Poorly soluble	-3.77000000000000002	0.0844000000000000028	0.000168999999999999988	Soluble	High	No	Yes	No	No	No	No	Yes	-6.26999999999999957	1	3	0	0	0	0.550000000000000044
744	472.699999999999989	C30H48O4	\N	\N	1	O=C1C[C@]2(C)[C@H](CC[C@]2([C@H]2[C@]1(C)[C@@H]1CC[C@@H](C(C1=CC2)(C)C)O)C)[C@]1(C)CC[C@H](O1)C(O)(C)C	34	0	0.900000000000000022	2	4	2	137.919999999999987	66.7600000000000051	4.33999999999999986	4.66000000000000014	5.83999999999999986	4.16000000000000014	5.57000000000000028	4.91000000000000014	-5.57000000000000028	0.00126000000000000005	2.65999999999999994e-06	Moderately soluble	-5.79000000000000004	0.000769000000000000044	1.63000000000000006e-06	Moderately soluble	-5.71999999999999975	0.000894999999999999962	1.8899999999999999e-06	Moderately soluble	High	No	No	No	No	No	No	No	-5.87000000000000011	1	3	0	0	0	0.550000000000000044
745	716.850000000000023	C39H56O12	\N	\N	1	CC(=O)O[C@H]1[C@@H](OC[C@H]([C@@H]1O)OC(=O)C)O[C@@H]1C[C@@]2([C@]([C@H]1[C@](C(=O)/C=C/C(O)(C)C)(O)C)(C)CC[C@@]1([C@H]2CC=C2[C@H]1C=C(C(=O)C2(C)C)O)C)C	51	0	0.739999999999999991	10	12	4	186.830000000000013	186.120000000000005	4.24000000000000021	3.41000000000000014	4.04999999999999982	1.09000000000000008	3.79000000000000004	3.31000000000000005	-5.76999999999999957	0.00120999999999999992	1.68999999999999991e-06	Moderately soluble	-7	7.20000000000000018e-05	9.99999999999999955e-08	Poorly soluble	-3.58000000000000007	0.187	0.000261000000000000002	Soluble	Low	No	No	No	No	No	No	No	-8.25	2	3	1	1	3	0.170000000000000012
746	516.620000000000005	C29H40O8	\N	\N	1	CCC1=C(C)C(=O)O[C@H](C1)[C@@]([C@H]1CC[C@@]2([C@]1(C)C(=O)C[C@H]1C2=CC(=O)[C@H]2[C@]1(C)C[C@H](O)[C@@H](C2)O)O)(O)C	37	0	0.760000000000000009	3	8	4	135.889999999999986	141.360000000000014	3	0.190000000000000002	2.16000000000000014	1.28000000000000003	3.06000000000000005	1.93999999999999995	-2.95999999999999996	0.560000000000000053	0.00108000000000000001	Soluble	-2.7200000000000002	0.990999999999999992	0.00192000000000000005	Soluble	-3.58999999999999986	0.134000000000000008	0.000259000000000000007	Soluble	Low	No	Yes	No	No	No	No	No	-9.32000000000000028	1	3	1	1	0	0.550000000000000044
747	480.629999999999995	C27H44O7	\N	\N	1	CC(CC[C@H]([C@@]([C@H]1CC[C@@]2([C@]1(C)C[C@@H](O)[C@H]1C2=CC(=O)[C@H]2[C@]1(C)C[C@H](O)[C@@H](C2)O)O)(O)C)O)C	34	0	0.890000000000000013	5	7	6	129.699999999999989	138.449999999999989	2.83000000000000007	0.699999999999999956	1.70999999999999996	1.12999999999999989	2.29999999999999982	1.72999999999999998	-2.93000000000000016	0.562999999999999945	0.00117000000000000003	Soluble	-3.18999999999999995	0.314000000000000001	0.000653000000000000043	Soluble	-2.10000000000000009	3.79000000000000004	0.00788999999999999944	Soluble	High	No	Yes	No	No	No	No	No	-8.73000000000000043	1	2	0	1	1	0.550000000000000044
748	398.660000000000025	C28H46O	\N	\N	1	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C1)C	29	0	0.859999999999999987	4	1	1	127.950000000000003	20.2300000000000004	4.82000000000000028	8.01999999999999957	7.41000000000000014	6.42999999999999972	6.45000000000000018	6.62999999999999989	-7.09999999999999964	3.16000000000000024e-05	7.93999999999999963e-08	Poorly soluble	-8.30000000000000071	2.00999999999999981e-06	5.03000000000000021e-09	Poorly soluble	-5.08000000000000007	0.00334000000000000009	8.37999999999999939e-06	Moderately soluble	Low	No	No	No	No	Yes	No	No	-3.04000000000000004	1	2	0	1	2	0.550000000000000044
749	480.680000000000007	C28H48O6	\N	\N	1	O[C@H]([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2COC(=O)[C@@H]2[C@]1(C)C[C@@H](O)[C@H](C2)O)C)[C@@H]([C@H](C(C)C)C)O	34	0	0.959999999999999964	5	6	4	133.669999999999987	107.219999999999999	3.25999999999999979	4.83999999999999986	3.39000000000000012	3.04999999999999982	3.50999999999999979	3.60999999999999988	-5.54000000000000004	0.00138999999999999996	2.88999999999999986e-06	Moderately soluble	-6.83000000000000007	7.18999999999999994e-05	1.49999999999999993e-07	Poorly soluble	-2.70000000000000018	0.96599999999999997	0.00201000000000000007	Soluble	High	No	Yes	No	No	No	No	No	-5.79999999999999982	0	3	0	0	0	0.550000000000000044
751	412.689999999999998	C29H48O	\N	\N	1	C/C=C(/C(C)C)\\CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	30	0	0.859999999999999987	5	1	1	132.75	20.2300000000000004	4.96999999999999975	8.84999999999999964	7.94000000000000039	6.62000000000000011	6.87999999999999989	7.04999999999999982	-7.63999999999999968	9.36000000000000017e-06	2.27000000000000014e-08	Poorly soluble	-9.16000000000000014	2.85999999999999993e-07	6.91999999999999989e-10	Poorly soluble	-5.83000000000000007	0.000616000000000000011	1.48999999999999992e-06	Moderately soluble	Low	No	No	No	No	No	No	No	-2.5299999999999998	1	3	0	1	2	0.550000000000000044
752	480.629999999999995	C27H44O7	\N	\N	1	OC[C@@H](CC[C@H]([C@@]([C@H]1CC[C@@]2([C@]1(C)CC[C@H]1C2=CC(=O)[C@H]2[C@]1(C)C[C@H](O)[C@@H](C2)O)O)(O)C)O)C	34	0	0.890000000000000013	6	7	6	129.699999999999989	138.449999999999989	2.79000000000000004	0.630000000000000004	1.70999999999999996	1.12999999999999989	2.58999999999999986	1.77000000000000002	-2.81999999999999984	0.725999999999999979	0.00151000000000000006	Soluble	-3.10999999999999988	0.370999999999999996	0.000772000000000000008	Soluble	-2.35000000000000009	2.14000000000000012	0.00446000000000000042	Soluble	High	No	Yes	No	No	No	No	No	-8.77999999999999936	1	2	0	1	1	0.550000000000000044
753	412.689999999999998	C29H48O	\N	\N	1	C/C=C(\\C(C)C)/CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	30	0	0.859999999999999987	5	1	1	132.75	20.2300000000000004	5.08000000000000007	8.84999999999999964	7.94000000000000039	6.62000000000000011	6.87999999999999989	7.08000000000000007	-7.63999999999999968	9.36000000000000017e-06	2.27000000000000014e-08	Poorly soluble	-9.16000000000000014	2.85999999999999993e-07	6.91999999999999989e-10	Poorly soluble	-5.83000000000000007	0.000616000000000000011	1.48999999999999992e-06	Moderately soluble	Low	No	No	No	No	No	No	No	-2.5299999999999998	1	3	0	1	2	0.550000000000000044
754	400.680000000000007	C28H48O	\N	\N	1	CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@@H]([C@H]2C)O)C)C	29	0	0.930000000000000049	5	1	1	128.419999999999987	20.2300000000000004	5.00999999999999979	8.72000000000000064	7.62999999999999989	6.54000000000000004	6.51999999999999957	6.87999999999999989	-7.49000000000000021	1.29999999999999992e-05	3.24999999999999999e-08	Poorly soluble	-9.01999999999999957	3.78000000000000023e-07	9.44999999999999942e-10	Poorly soluble	-5.91999999999999993	0.000480999999999999982	1.19999999999999995e-06	Moderately soluble	Low	No	No	No	No	No	No	No	-2.54999999999999982	1	2	0	1	2	0.550000000000000044
755	494.660000000000025	C28H46O7	\N	\N	1	OC[C@H]([C@@H](C[C@H]([C@@]([C@H]1CC[C@@]2([C@]1(C)CC[C@H]1C2=CC(=O)[C@H]2[C@]1(C)C[C@H](O)[C@@H](C2)O)O)(O)C)O)C)C	35	0	0.890000000000000013	6	7	6	134.509999999999991	138.449999999999989	3.14000000000000012	1.07000000000000006	1.95999999999999996	1.33000000000000007	2.83000000000000007	2.06000000000000005	-3.18000000000000016	0.323000000000000009	0.000653000000000000043	Soluble	-3.56999999999999984	0.133000000000000007	0.000270000000000000003	Soluble	-2.37000000000000011	2.12999999999999989	0.0043099999999999996	Soluble	High	No	Yes	No	No	No	No	No	-8.5600000000000005	1	3	0	1	1	0.550000000000000044
756	440.740000000000009	C31H52O	\N	\N	1	C=C(C(C)C)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O)C)C	32	0	0.939999999999999947	5	1	1	139.949999999999989	20.2300000000000004	5.30999999999999961	10.3100000000000005	8.41000000000000014	7.12000000000000011	7.92999999999999972	7.82000000000000028	-8.74000000000000021	8.05999999999999991e-07	1.83000000000000009e-09	Poorly soluble	-10.6699999999999999	9.32000000000000008e-09	2.11000000000000002e-11	Insoluble	-7.25999999999999979	2.41999999999999987e-05	5.4800000000000001e-08	Poorly soluble	Low	No	No	No	No	No	No	No	-1.66999999999999993	1	3	0	1	2	0.550000000000000044
757	358.389999999999986	C20H22O6	\N	\N	1	Oc1ccc2c(c1)OC=C1[C@@H]2C(C)(C)[C@@H]2[C@@H]3[C@@]1(O)C(=O)C[C@](C2)([C@@H]3O)O	26	6	0.550000000000000044	0	6	4	92.1800000000000068	107.219999999999999	1.56000000000000005	0.190000000000000002	1.21999999999999997	0.709999999999999964	1.41999999999999993	1.02000000000000002	-2.35000000000000009	1.59000000000000008	0.00444000000000000037	Soluble	-2	3.58000000000000007	0.0100000000000000002	Very soluble	-2.56999999999999984	0.961999999999999966	0.00269000000000000012	Soluble	High	No	Yes	No	No	No	No	No	-8.34999999999999964	0	0	0	0	0	0.550000000000000044
759	400.680000000000007	C28H48O	\N	\N	1	CC(CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2)O)C)C)C	29	0	1	5	1	1	126.260000000000005	20.2300000000000004	4.96999999999999975	9.40000000000000036	7.61000000000000032	6.67999999999999972	7.04000000000000004	7.13999999999999968	-7.91999999999999993	4.86000000000000006e-06	1.21000000000000008e-08	Poorly soluble	-9.73000000000000043	7.44999999999999987e-08	1.86000000000000004e-10	Poorly soluble	-6.49000000000000021	0.000128999999999999991	3.20999999999999976e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-2.06999999999999984	1	2	0	1	2	0.550000000000000044
760	496.629999999999995	C27H44O8	\N	\N	1	O[C@H]1C[C@]2(C)[C@H]3CC[C@]4([C@@](C3=CC(=O)[C@@]2(C[C@H]1O)O)(O)CC[C@@H]4[C@]([C@@H](CCC(O)(C)C)O)(O)C)C	35	0	0.890000000000000013	5	8	7	130.939999999999998	158.680000000000007	2.7200000000000002	-0.309999999999999998	0.969999999999999973	0.340000000000000024	1.94999999999999996	1.12999999999999989	-2.39000000000000012	2.00999999999999979	0.00404000000000000019	Soluble	-2.56000000000000005	1.3600000000000001	0.00273999999999999981	Soluble	-1.95999999999999996	5.45000000000000018	0.0109999999999999994	Soluble	Low	No	No	No	No	No	No	No	-9.55000000000000071	1	3	1	1	2	0.550000000000000044
761	464.629999999999995	C27H44O6	\N	\N	1	CC(CC[C@H]([C@@]([C@H]1CC[C@@]2([C@]1(C)CC[C@H]1C2=CC(=O)[C@H]2[C@]1(C)C[C@H](O)[C@@H](C2)O)O)(O)C)O)C	33	0	0.890000000000000013	5	6	5	128.539999999999992	118.219999999999999	3.08999999999999986	1.8600000000000001	2.74000000000000021	1.92999999999999994	3.18999999999999995	2.56000000000000005	-3.56000000000000005	0.127000000000000002	0.000273999999999999992	Soluble	-3.95999999999999996	0.0505000000000000032	0.000109000000000000007	Soluble	-2.91999999999999993	0.552000000000000046	0.00119000000000000009	Soluble	High	No	Yes	No	No	No	No	No	-7.80999999999999961	0	1	0	0	0	0.550000000000000044
762	412.689999999999998	C29H48O	\N	\N	1	CC[C@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C	30	0	0.859999999999999987	5	1	1	132.75	20.2300000000000004	5.03000000000000025	8.5600000000000005	7.79999999999999982	6.62000000000000011	6.86000000000000032	6.98000000000000043	-7.45999999999999996	1.43000000000000003e-05	3.45999999999999988e-08	Poorly soluble	-8.85999999999999943	5.71000000000000018e-07	1.37999999999999999e-09	Poorly soluble	-5.46999999999999975	0.00139999999999999999	3.39000000000000015e-06	Moderately soluble	Low	No	No	No	No	Yes	No	No	-2.74000000000000021	1	3	0	1	2	0.550000000000000044
763	362.45999999999998	C21H30O5	\N	\N	1	O=C1C=C2[C@@H]([C@@]3([C@H]1C[C@@H](O)[C@H](C3)O)C)CC[C@]1([C@@]2(O)CC[C@@H]1C(=O)C)C	26	0	0.810000000000000053	1	5	3	97.5300000000000011	94.8299999999999983	2.04999999999999982	0.28999999999999998	1.78000000000000003	1.3899999999999999	2.18999999999999995	1.54000000000000004	-2.20000000000000018	2.27000000000000002	0.00625000000000000035	Soluble	-1.84000000000000008	5.20000000000000018	0.0143000000000000002	Very soluble	-2.39000000000000012	1.48999999999999999	0.00410999999999999994	Soluble	High	No	Yes	No	No	No	No	No	-8.3100000000000005	0	0	0	0	0	0.550000000000000044
764	480.629999999999995	C27H44O7	\N	\N	1	O[C@H](C(C)C)C[C@H]([C@@]([C@H]1CC[C@@]2([C@]1(C)CC[C@H]1C2=CC(=O)[C@H]2[C@]1(C)C[C@H](O)[C@@H](C2)O)O)(O)C)O	34	0	0.890000000000000013	5	7	6	129.699999999999989	138.449999999999989	2.02000000000000002	0.880000000000000004	1.70999999999999996	1.12999999999999989	2.41999999999999993	1.62999999999999989	-3.04000000000000004	0.433999999999999997	0.000903000000000000048	Soluble	-3.37000000000000011	0.203999999999999987	0.000424999999999999976	Soluble	-1.97999999999999998	5.07000000000000028	0.0105000000000000007	Soluble	High	No	Yes	No	No	No	No	No	-8.60999999999999943	1	2	0	1	1	0.550000000000000044
765	414.70999999999998	C29H50O	\N	\N	1	CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2)O)C	30	0	0.930000000000000049	6	1	1	133.22999999999999	20.2300000000000004	5.07000000000000028	9.08000000000000007	8.01999999999999957	6.73000000000000043	7.04000000000000004	7.19000000000000039	-7.74000000000000021	7.61999999999999989e-06	1.83999999999999993e-08	Poorly soluble	-9.40000000000000036	1.66000000000000004e-07	4.00000000000000015e-10	Poorly soluble	-6.19000000000000039	0.000268999999999999979	6.48999999999999948e-07	Poorly soluble	Low	No	No	No	No	No	No	No	-2.37999999999999989	1	3	0	1	2	0.550000000000000044
767	470.600000000000023	C28H38O6	\N	\N	1	OCC1=C(C)C[C@@H](OC1=O)[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H]2[C@]3([C@]1(C)C(=O)C=C[C@@H]3O)O2)C	34	0	0.790000000000000036	3	6	2	127.489999999999995	96.3599999999999994	3.24000000000000021	3.83000000000000007	3.35000000000000009	2.75	3.93000000000000016	3.41999999999999993	-4.96999999999999975	0.0050099999999999997	1.06999999999999992e-05	Moderately soluble	-5.54999999999999982	0.00133000000000000002	2.82000000000000011e-06	Moderately soluble	-3.79000000000000004	0.0753999999999999948	0.000160000000000000013	Soluble	High	No	Yes	No	No	No	No	No	-6.45000000000000018	0	1	0	0	0	0.550000000000000044
768	470.600000000000023	C28H38O6	\N	\N	1	CC1=C(C)C(=O)O[C@H](C1)[C@@]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H]2[C@]3([C@]1(C)C(=O)C=C[C@@H]3O)O2)(O)C	34	0	0.790000000000000036	2	6	2	127.530000000000001	96.3599999999999994	3.79000000000000004	3.12000000000000011	3.5	2.75	3.7799999999999998	3.39000000000000012	-4.58999999999999986	0.0120999999999999996	2.55999999999999988e-05	Moderately soluble	-4.80999999999999961	0.00725000000000000037	1.54000000000000016e-05	Moderately soluble	-3.7799999999999998	0.0785000000000000003	0.000166999999999999994	Soluble	High	No	Yes	No	No	No	No	No	-6.95999999999999996	0	1	0	0	0	0.550000000000000044
769	550.639999999999986	C29H42O10	\N	\N	1	O=C[C@]12CC[C@@H](C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	39	0	0.859999999999999987	4	10	5	137.340000000000003	162.97999999999999	2.50999999999999979	-0.46000000000000002	0.609999999999999987	0.309999999999999998	0.719999999999999973	0.739999999999999991	-2.70000000000000018	1.10000000000000009	0.00199000000000000002	Soluble	-2.5	1.76000000000000001	0.00319000000000000013	Soluble	-0.989999999999999991	55.7999999999999972	0.101000000000000006	Soluble	Low	No	Yes	No	No	No	No	No	-9.99000000000000021	1	3	1	1	1	0.550000000000000044
770	286.279999999999973	C16H14O5	\N	\N	1	COc1cc(OC)cc2c1cc(o2)c1cc(O)cc(c1)O	21	15	0.119999999999999996	3	5	2	78.6800000000000068	72.0600000000000023	2.56999999999999984	3.2200000000000002	3.5299999999999998	1.14999999999999991	3	2.68999999999999995	-3.9700000000000002	0.0303999999999999999	0.000106000000000000002	Soluble	-4.41000000000000014	0.0111999999999999999	3.92999999999999998e-05	Moderately soluble	-4.91000000000000014	0.0035599999999999998	1.23999999999999999e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	Yes	-5.75999999999999979	0	0	0	0	0	0.550000000000000044
771	516.669999999999959	C30H44O7	\N	\N	1	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@]24[C@@H]3CC[C@]3([C@]4(O2)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C	37	0	0.900000000000000022	4	7	1	137.389999999999986	86.75	4.20000000000000018	3.14999999999999991	4.29999999999999982	2.93999999999999995	4.07000000000000028	3.72999999999999998	-4.75999999999999979	0.00889999999999999993	1.72000000000000013e-05	Moderately soluble	-4.63999999999999968	0.0117999999999999997	2.27999999999999985e-05	Moderately soluble	-4.30999999999999961	0.0251000000000000008	4.84999999999999998e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-7.21999999999999975	1	3	0	0	0	0.550000000000000044
772	392.490000000000009	C25H28O4	\N	\N	1	COc1cc(O)cc(c1C/C=C(/CCC=C(C)C)\\C)c1oc2c(c1)ccc(c2)O	29	15	0.280000000000000027	7	4	2	119.469999999999999	62.8299999999999983	4.05999999999999961	7.03000000000000025	6.75	3.58000000000000007	6.33999999999999986	5.54999999999999982	-6.62000000000000011	9.34999999999999959e-05	2.37999999999999987e-07	Poorly soluble	-8.16999999999999993	2.68000000000000018e-06	6.82999999999999978e-09	Poorly soluble	-7.26999999999999957	2.12999999999999994e-05	5.42000000000000023e-08	Poorly soluble	High	No	No	No	Yes	No	No	No	-3.70000000000000018	0	1	0	1	1	0.550000000000000044
773	566.639999999999986	C29H42O11	\N	\N	1	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1C[C@@H](O)[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@H](C)[C@@H]([C@H]([C@H]1O)O)O	40	0	0.859999999999999987	4	11	6	138.539999999999992	183.210000000000008	2.27000000000000002	-1.6399999999999999	-0.280000000000000027	-0.450000000000000011	0.23000000000000001	0.0299999999999999989	-2.06000000000000005	4.98000000000000043	0.0087899999999999992	Soluble	-1.69999999999999996	11.4000000000000004	0.0200999999999999998	Very soluble	-0.619999999999999996	137	0.240999999999999992	Soluble	Low	No	No	No	No	No	No	No	-10.9199999999999999	3	3	1	1	3	0.170000000000000012
775	574.659999999999968	C31H42O10	\N	\N	1	O=C[C@]12C[C@H]3O[C@]4(O)[C@H](O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)O[C@@H](C[C@@H]4OC(=O)C)C	41	0	0.839999999999999969	4	10	2	143.759999999999991	137.819999999999993	3.22999999999999998	1.5	2.56999999999999984	1.82000000000000006	2.37999999999999989	2.29999999999999982	-4.08000000000000007	0.0473999999999999977	8.23999999999999971e-05	Moderately soluble	-4	0.0572000000000000008	9.95000000000000062e-05	Moderately soluble	-2.95000000000000018	0.64800000000000002	0.00112999999999999993	Soluble	High	No	Yes	No	No	No	No	No	-8.74000000000000021	1	3	0	1	0	0.550000000000000044
776	550.639999999999986	C29H42O10	\N	\N	1	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@@]32O[C@H]3C[C@@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1O)O)O)O	39	0	0.900000000000000022	3	10	5	136.150000000000006	158.439999999999998	2.87000000000000011	-0.320000000000000007	0.560000000000000053	0.409999999999999976	0.839999999999999969	0.869999999999999996	-2.85000000000000009	0.770000000000000018	0.00139999999999999999	Soluble	-2.54999999999999982	1.56000000000000005	0.00284000000000000008	Soluble	-1.15999999999999992	38.5	0.0700000000000000067	Soluble	Low	No	Yes	No	No	No	No	No	-9.89000000000000057	1	3	1	1	1	0.550000000000000044
777	552.649999999999977	C29H44O10	\N	\N	1	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)C[C@@H](O)[C@H]1[C@H]2CC[C@]2([C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@H]1O)O)O)O)O	39	0	0.900000000000000022	3	10	6	138.340000000000003	166.139999999999986	3.31999999999999984	-0.0599999999999999978	0.540000000000000036	0.409999999999999976	0.520000000000000018	0.949999999999999956	-3.0299999999999998	0.515000000000000013	0.000931999999999999994	Soluble	-2.97999999999999998	0.581999999999999962	0.00104999999999999994	Soluble	-1.07000000000000006	46.6000000000000014	0.0842999999999999999	Soluble	Low	No	Yes	No	No	No	No	No	-9.71000000000000085	2	3	1	1	2	0.170000000000000012
778	472.529999999999973	C26H32O8	\N	\N	1	O=C[C@@]12[C@H]3C[C@H]4C[C@]2(CC[C@@H]2[C@@H]1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1c1ccc(=O)oc1)C)O[C@@](O3)(O4)C	34	6	0.770000000000000018	2	8	2	118.769999999999996	115.430000000000007	2.4700000000000002	0.589999999999999969	2.25	1.48999999999999999	2.77000000000000002	1.91999999999999993	-3.14000000000000012	0.342000000000000026	0.00072499999999999995	Soluble	-2.58999999999999986	1.21999999999999997	0.00258999999999999985	Soluble	-4.12000000000000011	0.0357000000000000026	7.55000000000000056e-05	Moderately soluble	High	No	Yes	No	Yes	No	Yes	No	-8.75999999999999979	0	0	0	0	0	0.550000000000000044
779	618.669999999999959	C32H42O12	\N	\N	1	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1[C@H](O)C(=O)[C@]1([C@]2(O)CC[C@@H]1c1ccc(=O)oc1)C)O[C@@H]1O[C@H](C)C[C@H]([C@@H]1O)OC(=O)C	44	6	0.75	6	12	4	152.409999999999997	190.030000000000001	2.50999999999999979	0.100000000000000006	1.1399999999999999	-0.160000000000000003	1.87000000000000011	1.09000000000000008	-3.43999999999999995	0.223000000000000004	0.000360000000000000023	Soluble	-3.64999999999999991	0.140000000000000013	0.000225999999999999991	Soluble	-3.45999999999999996	0.213999999999999996	0.000346000000000000008	Soluble	Low	No	Yes	No	No	No	No	No	-10	2	3	1	1	3	0.170000000000000012
780	532.620000000000005	C29H40O9	\N	\N	1	O=C[C@]12C[C@H]3O[C@@]4(O)[C@H](O)C[C@H](O[C@H]4O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	38	0	0.859999999999999987	2	9	3	134.030000000000001	131.75	2.74000000000000021	0.930000000000000049	2	1.48999999999999999	1.87999999999999989	1.81000000000000005	-3.60000000000000009	0.135000000000000009	0.000253000000000000024	Soluble	-3.2799999999999998	0.278000000000000025	0.000520999999999999979	Soluble	-2.35000000000000009	2.37999999999999989	0.00447999999999999961	Soluble	High	No	Yes	No	No	No	No	No	-8.89000000000000057	1	3	0	1	0	0.550000000000000044
781	532.620000000000005	C29H40O9	\N	\N	1	O=C[C@]12C[C@H]3O[C@@]4(O)[C@@H](O)C[C@H](O[C@H]4O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	38	0	0.859999999999999987	2	9	3	134.030000000000001	131.75	3.31000000000000005	0.930000000000000049	2	1.48999999999999999	1.87999999999999989	1.91999999999999993	-3.60000000000000009	0.135000000000000009	0.000253000000000000024	Soluble	-3.2799999999999998	0.278000000000000025	0.000520999999999999979	Soluble	-2.35000000000000009	2.37999999999999989	0.00447999999999999961	Soluble	High	No	Yes	No	No	No	No	No	-8.89000000000000057	1	3	0	1	0	0.550000000000000044
782	858.960000000000036	C42H66O18	\N	\N	1	CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@H]([C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)C	60	0	0.930000000000000049	10	18	9	205.47999999999999	272.980000000000018	1.81000000000000005	-1.6399999999999999	-1.23999999999999999	-2.37999999999999989	-1.75	-1.04000000000000004	-3.4700000000000002	0.288999999999999979	0.000337000000000000006	Soluble	-3.58000000000000007	0.225000000000000006	0.000262000000000000026	Soluble	0.719999999999999973	4560	5.30999999999999961	Soluble	Low	No	Yes	No	No	No	No	No	-12.6999999999999993	3	4	1	1	5	0.170000000000000012
784	550.639999999999986	C29H42O10	\N	\N	1	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	39	0	0.859999999999999987	4	10	5	137.379999999999995	162.97999999999999	2.7799999999999998	-0.479999999999999982	0.75	0.309999999999999998	1.1100000000000001	0.890000000000000013	-2.68999999999999995	1.12999999999999989	0.00205000000000000017	Soluble	-2.47999999999999998	1.84000000000000008	0.00334000000000000009	Soluble	-1.43999999999999995	19.8000000000000007	0.0359999999999999973	Soluble	Low	No	Yes	No	No	No	No	No	-10	1	3	1	1	1	0.550000000000000044
785	548.659999999999968	C30H44O9	\N	\N	1	CO[C@H]1C[C@H](O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)O[C@@H]([C@H]1O)C	39	0	0.869999999999999996	5	9	3	140.949999999999989	131.75	3.60999999999999988	0.640000000000000013	2.43000000000000016	1.27000000000000002	2.56000000000000005	2.10000000000000009	-3.31000000000000005	0.266000000000000014	0.000484000000000000001	Soluble	-2.97999999999999998	0.571999999999999953	0.00103999999999999991	Soluble	-2.95000000000000018	0.609999999999999987	0.00111000000000000009	Soluble	High	No	Yes	No	No	No	No	No	-9.1899999999999995	1	3	0	1	0	0.550000000000000044
786	546.649999999999977	C30H42O9	\N	\N	1	CO[C@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2C3=C(O)C(=O)[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@H]([C@@H]1O)C	39	0	0.800000000000000044	4	9	3	140.849999999999994	131.75	3.70999999999999996	1.59000000000000008	3.12000000000000011	1.17999999999999994	2.54000000000000004	2.43000000000000016	-3.9700000000000002	0.0589999999999999969	0.000107999999999999996	Soluble	-3.9700000000000002	0.058900000000000001	0.000107999999999999996	Soluble	-3.27000000000000002	0.296999999999999986	0.000542999999999999971	Soluble	High	No	Yes	No	No	No	No	No	-8.50999999999999979	1	3	0	1	0	0.550000000000000044
787	796.940000000000055	C41H64O15	\N	\N	1	O=C1OCC(=C1)[C@H]1[C@@H](O)C[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1C[C@H](O)[C@H]([C@H](O1)C)O[C@H]1C[C@@H](O)[C@H]([C@H](O1)C)O[C@@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O)O	56	0	0.930000000000000049	7	15	7	197.259999999999991	223.289999999999992	3.87999999999999989	0.28999999999999998	1.18999999999999995	-0.359999999999999987	-0.23000000000000001	0.949999999999999956	-4.5	0.0251000000000000008	3.15e-05	Moderately soluble	-4.54000000000000004	0.0229000000000000002	2.87999999999999987e-05	Moderately soluble	-0.589999999999999969	202	0.254000000000000004	Soluble	Low	No	Yes	No	No	No	No	No	-10.9600000000000009	3	3	1	1	5	0.170000000000000012
788	712.82000000000005	C36H56O14	\N	\N	1	CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)O)C)C)O[C@@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C	50	0	0.92000000000000004	7	14	7	174.25	214.060000000000002	4.32000000000000028	-0.119999999999999996	-0.0899999999999999967	-0.900000000000000022	-0.530000000000000027	0.540000000000000036	-3.7200000000000002	0.135000000000000009	0.00019000000000000001	Soluble	-3.91999999999999993	0.0853000000000000008	0.000120000000000000003	Soluble	-0.309999999999999998	352	0.492999999999999994	Soluble	Low	No	Yes	No	No	No	No	No	-10.7300000000000004	3	3	1	1	4	0.170000000000000012
789	534.67999999999995	C30H46O8	\N	\N	1	CO[C@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3[C@H](O)C[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@H]([C@@H]1O)C	38	0	0.900000000000000022	4	8	3	140.710000000000008	114.680000000000007	4.08999999999999986	1.8899999999999999	3.10999999999999988	2.14999999999999991	2.45999999999999996	2.74000000000000021	-4.08000000000000007	0.0442999999999999991	8.27999999999999933e-05	Moderately soluble	-3.91999999999999993	0.0641999999999999932	0.000120000000000000003	Soluble	-2.95999999999999996	0.585999999999999965	0.00110000000000000007	Soluble	High	No	Yes	No	No	No	No	No	-8.22000000000000064	1	3	0	0	0	0.550000000000000044
790	534.67999999999995	C30H46O8	\N	\N	1	CO[C@H]1C[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3[C@H](O)C[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@H]([C@H]1O)C	38	0	0.900000000000000022	4	8	3	140.710000000000008	114.680000000000007	3.93000000000000016	1.8899999999999999	3.10999999999999988	2.14999999999999991	2.45999999999999996	2.70999999999999996	-4.08000000000000007	0.0442999999999999991	8.27999999999999933e-05	Moderately soluble	-3.91999999999999993	0.0641999999999999932	0.000120000000000000003	Soluble	-2.95999999999999996	0.585999999999999965	0.00110000000000000007	Soluble	High	No	Yes	No	No	No	No	No	-8.22000000000000064	1	3	0	0	0	0.550000000000000044
791	562.610000000000014	C29H38O11	\N	\N	1	C[C@@H]1C[C@@H](O)[C@]2([C@@H](O1)O[C@H]1[C@H](O2)C[C@]2([C@H](C1)C[C@H]1[C@@]3([C@@H]2[C@H](O)C(=O)[C@]2([C@]3(O)CC[C@@H]2C2=CC(=O)OC2)C)O1)C)O	40	0	0.859999999999999987	1	11	4	134.199999999999989	164.509999999999991	2.9700000000000002	-0.959999999999999964	0.100000000000000006	-0.0500000000000000028	0.810000000000000053	0.569999999999999951	-2.66000000000000014	1.23999999999999999	0.00220000000000000013	Soluble	-2.00999999999999979	5.5	0.0097800000000000005	Soluble	-1.56000000000000005	15.5999999999999996	0.0277999999999999983	Soluble	Low	No	Yes	No	No	No	No	No	-10.4100000000000001	2	3	1	1	3	0.170000000000000012
792	780.940000000000055	C41H64O14	\N	\N	1	O=C1OCC(=C1)[C@H]1[C@@H](O)C[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1C[C@H](O)[C@H]([C@@H](O1)C)O[C@@H]1C[C@H](O)[C@H]([C@@H](O1)C)O[C@H]1C[C@H](O)[C@H]([C@H](O1)C)O)O	55	0	0.930000000000000049	7	14	6	196.099999999999994	203.060000000000002	5.13999999999999968	1.66999999999999993	2.2200000000000002	0.380000000000000004	0.650000000000000022	2.00999999999999979	-5.26999999999999957	0.00417999999999999969	5.3499999999999996e-06	Moderately soluble	-5.54999999999999982	0.00221000000000000016	2.83000000000000001e-06	Moderately soluble	-1.42999999999999994	29.3000000000000007	0.0374999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-9.88000000000000078	3	3	1	1	5	0.170000000000000012
794	724.789999999999964	C36H52O15	\N	\N	1	OC[C@@H]1O[C@@H](O[C@H]2[C@@H](C)O[C@@H]([C@@H]([C@H]2O)O)O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3c2ccc(=O)oc2)C)C=O)[C@@H]([C@H]([C@@H]1O)O)O	51	6	0.82999999999999996	7	15	8	174.860000000000014	246.039999999999992	2.87000000000000011	-1.51000000000000001	-0.790000000000000036	-1.90999999999999992	-0.46000000000000002	-0.359999999999999987	-3.00999999999999979	0.711999999999999966	0.000982999999999999933	Soluble	-3.14999999999999991	0.512000000000000011	0.00070600000000000003	Soluble	-1.15999999999999992	49.7999999999999972	0.0686999999999999972	Soluble	Low	No	No	No	No	No	No	No	-11.7899999999999991	3	4	1	1	4	0.170000000000000012
795	534.639999999999986	C29H42O9	\N	\N	1	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O	38	0	0.859999999999999987	4	9	4	136.219999999999999	142.75	2.66999999999999993	0.299999999999999989	1.78000000000000003	1.08000000000000007	2	1.57000000000000006	-3.08000000000000007	0.445000000000000007	0.000831999999999999949	Soluble	-2.85999999999999988	0.737999999999999989	0.00137999999999999993	Soluble	-2.27000000000000002	2.87999999999999989	0.00540000000000000029	Soluble	Low	No	Yes	No	No	No	No	No	-9.34999999999999964	1	3	1	1	0	0.550000000000000044
796	560.590000000000032	C29H36O11	\N	\N	1	C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@H]1[C@H](O2)C[C@]2([C@H](C1)C[C@H]1[C@@]3([C@@H]2[C@H](O)C(=O)[C@]2([C@]3(O)CC[C@@H]2C2=CC(=O)OC2)C)O1)C)O	40	0	0.82999999999999996	1	11	3	133.240000000000009	161.349999999999994	2.70999999999999996	-0.949999999999999956	0.309999999999999998	-0.140000000000000013	1.3899999999999999	0.660000000000000031	-2.64999999999999991	1.25	0.00223000000000000021	Soluble	-1.94999999999999996	6.24000000000000021	0.0111000000000000005	Very soluble	-2.25	3.12999999999999989	0.00557999999999999989	Soluble	Low	No	Yes	No	No	No	No	No	-10.3900000000000006	2	3	1	1	3	0.170000000000000012
797	617.710000000000036	C31H39NO10S	\N	\N	1	C[C@H]1O[C@H]2O[C@@H]3C[C@@H]4C[C@@H]5O[C@@]65[C@@H]([C@]4(C[C@H]3O[C@]2([C@@]2(C1)SCC=N2)O)C)[C@H](O)C(=O)[C@]1([C@]6(O)CC[C@@H]1C1=CC(=O)OC1)C	43	0	0.839999999999999969	1	11	3	155.180000000000007	181.939999999999998	3.27000000000000002	-0.530000000000000027	0.869999999999999996	0.25	2.2200000000000002	1.21999999999999997	-3.27000000000000002	0.332000000000000017	0.000537000000000000042	Soluble	-2.81999999999999984	0.93100000000000005	0.00151000000000000006	Soluble	-2.75	1.09000000000000008	0.00177000000000000009	Soluble	Low	No	Yes	No	No	No	No	No	-10.4399999999999995	2	3	1	1	4	0.170000000000000012
798	620.67999999999995	C32H44O12	\N	\N	1	O=C[C@@]12CC[C@@H](C[C@]2(CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1c1ccc(=O)oc1)C)OC(=O)C)OC(=O)[C@@H]([C@@H]([C@H]([C@@H](O)C)O)O)O	44	6	0.75	10	12	5	154.610000000000014	201.030000000000001	3.41000000000000014	0.160000000000000003	1.12000000000000011	0.239999999999999991	2.74000000000000021	1.53000000000000003	-3.22999999999999998	0.365999999999999992	0.000589000000000000005	Soluble	-3.93999999999999995	0.0714999999999999941	0.000115000000000000003	Soluble	-3.16000000000000014	0.427999999999999992	0.000689999999999999967	Soluble	Low	No	Yes	No	No	No	No	Yes	-9.97000000000000064	2	3	1	1	3	0.170000000000000012
800	552.649999999999977	C29H44O10	\N	\N	1	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)C[C@@H](O)[C@H]1[C@H]2CC[C@]2([C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O	39	0	0.900000000000000022	3	10	6	138.340000000000003	166.139999999999986	2.77000000000000002	-0.0599999999999999978	0.540000000000000036	0.409999999999999976	0.520000000000000018	0.839999999999999969	-3.0299999999999998	0.515000000000000013	0.000931999999999999994	Soluble	-2.97999999999999998	0.581999999999999962	0.00104999999999999994	Soluble	-1.07000000000000006	46.6000000000000014	0.0842999999999999999	Soluble	Low	No	Yes	No	No	No	No	No	-9.71000000000000085	2	3	1	1	2	0.170000000000000012
801	564.659999999999968	C30H44O10	\N	\N	1	CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3C(=O)[C@@H](O)[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@@H]([C@@H]1O)C	40	0	0.869999999999999996	4	10	4	142.069999999999993	151.97999999999999	3.31000000000000005	0.110000000000000001	1.26000000000000001	0.5	1.27000000000000002	1.29000000000000004	-3.14999999999999991	0.403000000000000025	0.000714000000000000008	Soluble	-2.85999999999999988	0.785000000000000031	0.00138999999999999996	Soluble	-2.00999999999999979	5.57000000000000028	0.00986000000000000071	Soluble	Low	No	Yes	No	No	No	No	No	-9.66999999999999993	1	3	1	1	1	0.550000000000000044
802	534.67999999999995	C30H46O8	\N	\N	1	CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@H]([C@@H]1O)C	38	0	0.900000000000000022	4	8	3	140.710000000000008	114.680000000000007	4.16000000000000014	2.10000000000000009	3.10999999999999988	2.14999999999999991	2.45999999999999996	2.79999999999999982	-4.20999999999999996	0.0326999999999999999	6.10999999999999944e-05	Moderately soluble	-4.13999999999999968	0.0388999999999999971	7.27000000000000053e-05	Moderately soluble	-2.95999999999999996	0.585999999999999965	0.00110000000000000007	Soluble	High	No	Yes	No	No	No	No	No	-8.07000000000000028	1	3	0	0	0	0.550000000000000044
803	536.649999999999977	C29H44O9	\N	\N	1	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)C[C@@H](O)[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O	38	0	0.900000000000000022	3	9	5	137.139999999999986	145.909999999999997	3.49000000000000021	0.939999999999999947	1.42999999999999994	1.17999999999999994	1.02000000000000002	1.6100000000000001	-3.56000000000000005	0.146999999999999992	0.000275000000000000017	Soluble	-3.58999999999999986	0.138000000000000012	0.000257000000000000013	Soluble	-1.44999999999999996	19	0.0354999999999999968	Soluble	Low	No	Yes	No	No	No	No	No	-8.91000000000000014	1	3	1	1	0	0.550000000000000044
804	568.649999999999977	C29H44O11	\N	\N	1	OC[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@H]1O)O)O	40	0	0.900000000000000022	4	11	7	139.5	186.370000000000005	2.47999999999999998	-1.78000000000000003	-0.489999999999999991	-0.359999999999999987	-0.0800000000000000017	-0.0400000000000000008	-1.97999999999999998	5.95000000000000018	0.0105000000000000007	Very soluble	-1.62000000000000011	13.6999999999999993	0.0240999999999999999	Very soluble	-0.5	181	0.318000000000000005	Soluble	Low	No	No	No	No	No	No	No	-11.0299999999999994	3	4	1	1	3	0.170000000000000012
805	692.789999999999964	C36H52O13	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3(C(=C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3c2ccc(=O)oc2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	49	6	0.810000000000000053	6	13	7	172.990000000000009	208.740000000000009	3.93000000000000016	0.890000000000000013	0.839999999999999969	-0.429999999999999993	0.309999999999999998	1.1100000000000001	-4.38999999999999968	0.0281999999999999994	4.07e-05	Moderately soluble	-4.86000000000000032	0.00959999999999999916	1.39000000000000007e-05	Moderately soluble	-1.98999999999999999	7.13999999999999968	0.0103000000000000001	Soluble	Low	No	Yes	No	No	No	No	No	-9.89000000000000057	3	3	1	1	4	0.170000000000000012
806	620.67999999999995	C32H44O12	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=C2)[C@H](OC(=O)C)C[C@@]2([C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3c2ccc(=O)oc2)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O	44	6	0.75	6	12	6	153.860000000000014	196.349999999999994	3.33999999999999986	-0.419999999999999984	0.640000000000000013	-0.0800000000000000017	0.959999999999999964	0.890000000000000013	-3.12999999999999989	0.462000000000000022	0.000743999999999999978	Soluble	-3.24000000000000021	0.357999999999999985	0.000577000000000000039	Soluble	-2.62999999999999989	1.46999999999999997	0.00236000000000000012	Soluble	Low	No	Yes	No	No	No	No	No	-10.3800000000000008	3	3	1	1	4	0.170000000000000012
807	872.950000000000045	C42H64O19	\N	\N	1	CO[C@H]1C[C@H](O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)O[C@H]([C@@H]1O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)C	61	0	0.900000000000000022	11	19	9	205.710000000000008	290.050000000000011	2.95000000000000018	-3.10000000000000009	-1.91999999999999993	-3.20000000000000018	-1.64999999999999991	-1.37999999999999989	-2.56999999999999984	2.33000000000000007	0.00267000000000000006	Soluble	-2.43000000000000016	3.2799999999999998	0.00375999999999999989	Soluble	0.739999999999999991	4760	5.45999999999999996	Soluble	Low	No	Yes	No	No	No	No	No	-13.8300000000000001	3	4	2	1	6	0.170000000000000012
808	872.950000000000045	C42H64O19	\N	\N	1	CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C=O)O[C@H]([C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)C	61	0	0.900000000000000022	11	19	9	205.680000000000007	290.050000000000011	1.78000000000000003	-2.68999999999999995	-2.06000000000000005	-3.20000000000000018	-2.04000000000000004	-1.6399999999999999	-2.83000000000000007	1.29000000000000004	0.00146999999999999995	Soluble	-2.85000000000000009	1.22999999999999998	0.00141000000000000001	Soluble	1.18999999999999995	13400	15.4000000000000004	Soluble	Low	No	Yes	No	No	No	No	No	-13.5299999999999994	3	4	2	1	6	0.170000000000000012
810	564.659999999999968	C30H44O10	\N	\N	1	CO[C@@H]1C[C@H](O[C@H]2CC[C@]3([C@](C2)(O)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)O)C)C=O)O[C@@H]([C@@H]1O)C	40	0	0.869999999999999996	5	10	4	142.110000000000014	151.97999999999999	2.91999999999999993	-0.330000000000000016	1.39999999999999991	0.5	1.66999999999999993	1.22999999999999998	-2.79999999999999982	0.889000000000000012	0.00157	Soluble	-2.39999999999999991	2.25	0.00398000000000000003	Soluble	-2.12999999999999989	4.20000000000000018	0.00742999999999999997	Soluble	Low	No	Yes	No	No	No	No	No	-9.98000000000000043	1	3	1	1	1	0.550000000000000044
811	592.759999999999991	C33H52O9	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC(=O)[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@H](CO3)C)C)C)[C@@H]([C@H]([C@H]1O)O)O	42	0	0.969999999999999973	3	9	4	154.650000000000006	134.909999999999997	4.48000000000000043	3.24000000000000021	2.79999999999999982	1.62999999999999989	1.85000000000000009	2.79999999999999982	-5.36000000000000032	0.00259999999999999988	4.38000000000000042e-06	Moderately soluble	-5.75	0.00105999999999999996	1.79000000000000001e-06	Moderately soluble	-2.58999999999999986	1.51000000000000001	0.00255000000000000018	Soluble	High	No	Yes	No	No	No	No	No	-7.62000000000000011	1	3	0	1	0	0.550000000000000044
812	578.779999999999973	C33H54O8	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@@H](CO3)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O	41	0	1	3	8	4	154.449999999999989	117.840000000000003	3.81999999999999984	4.90000000000000036	3.62000000000000011	2.56000000000000005	2.14999999999999991	3.41000000000000014	-6.32000000000000028	0.000279000000000000005	4.81000000000000032e-07	Poorly soluble	-7.11000000000000032	4.49000000000000004e-05	7.74999999999999991e-08	Poorly soluble	-2.7200000000000002	1.10000000000000009	0.00188999999999999997	Soluble	High	No	Yes	No	No	No	No	No	-6.34999999999999964	1	3	0	0	0	0.550000000000000044
813	1063.18000000000006	C51H82O23	\N	\N	1	OC[C@@H]1O[C@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@@](O3)(C)CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	74	0	0.959999999999999964	12	23	13	251.169999999999987	355.29000000000002	4.65000000000000036	-1.97999999999999998	-2.85000000000000009	-4.38999999999999968	-3.87000000000000011	-1.68999999999999995	-4.38999999999999968	0.0430999999999999994	4.05000000000000019e-05	Moderately soluble	-4.95999999999999996	0.0117000000000000003	1.09999999999999997e-05	Moderately soluble	2.56000000000000005	389000	366	Soluble	Low	No	Yes	No	No	No	No	No	-14.1899999999999995	3	4	2	1	5	0.170000000000000012
814	1225.31999999999994	C57H92O28	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@@](O3)(C)CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C2)C)[C@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	85	0	0.959999999999999964	15	28	16	283.550000000000011	434.439999999999998	4.48000000000000043	-3.58000000000000007	-5.01999999999999957	-6.55999999999999961	-5.95999999999999996	-3.33000000000000007	-4.19000000000000039	0.078799999999999995	6.43000000000000044e-05	Moderately soluble	-4.95999999999999996	0.0134999999999999998	1.09999999999999997e-05	Moderately soluble	4.48000000000000043	36700000	30000	Soluble	Low	No	Yes	No	No	No	No	No	-16.3200000000000003	3	4	2	1	6	0.170000000000000012
815	1423.49000000000001	C63H106O35	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@@H]([C@]3(C[C@H]2O)C)CC[C@]2([C@H]4C[C@H]3[C@@H]2[C@@H]([C@@](O3)(O)CC[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	98	0	1	22	35	22	320.879999999999995	565.049999999999955	4.94000000000000039	-5.58999999999999986	-9.33999999999999986	-9.91999999999999993	-9.24000000000000021	-5.83000000000000007	-3.68999999999999995	0.288999999999999979	0.000203000000000000001	Soluble	-5.62000000000000011	0.00343999999999999992	2.42000000000000012e-06	Moderately soluble	8.09999999999999964	180000000000	126000000	Soluble	Low	No	Yes	No	No	No	No	No	-18.9499999999999993	3	4	2	1	7	0.170000000000000012
817	430.620000000000005	C27H42O4	\N	\N	1	O[C@H]1C[C@@H](O)[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]1[C@@H]2[C@H](C)[C@]2(O1)CCC(=C)CO2)C)C	31	0	0.930000000000000049	0	4	2	122.760000000000005	58.9200000000000017	4.16999999999999993	4.88999999999999968	4.67999999999999972	4.08999999999999986	3.66999999999999993	4.29999999999999982	-5.58999999999999986	0.00111000000000000009	2.56999999999999996e-06	Moderately soluble	-5.86000000000000032	0.000591000000000000054	1.37000000000000001e-06	Moderately soluble	-3.91999999999999993	0.0519000000000000017	0.000121	Soluble	High	Yes	Yes	No	No	No	No	No	-5.45000000000000018	0	1	0	0	0	0.550000000000000044
818	1211.33999999999992	C57H94O27	\N	\N	1	OC[C@H]1O[C@@H](OCC(=C)CC[C@@]2(O)O[C@@H]3[C@H]([C@@H]2C)[C@@]2([C@@H](C3)[C@@H]3CC[C@H]4[C@]([C@H]3CC2)(C)[C@@H](C[C@@H](C4)O[C@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O)O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)O[C@H]2O[C@H](C)[C@H]([C@@H]([C@H]2O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O)O)O)O)O)C)[C@@H]([C@H]([C@@H]1O)O)O	84	0	0.959999999999999964	16	27	16	284.54000000000002	425.20999999999998	5.04000000000000004	-1.93999999999999995	-4.16000000000000014	-5.87000000000000011	-5.37999999999999989	-2.45999999999999996	-5.07000000000000028	0.0103000000000000001	8.47000000000000022e-06	Moderately soluble	-6.46999999999999975	0.00041300000000000001	3.40999999999999996e-07	Poorly soluble	4.38999999999999968	29500000	24400	Soluble	Low	No	Yes	No	No	No	No	No	-15.0700000000000003	3	4	2	1	6	0.170000000000000012
819	580.75	C32H52O9	\N	\N	1	C[C@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@]3([C@]([C@H]1CC2)(C)[C@H](O)C[C@@H](C3)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)C	41	0	1	2	9	5	150.849999999999994	138.069999999999993	4.20000000000000018	2.56000000000000005	2.33999999999999986	1.59000000000000008	1.25	2.39000000000000012	-4.91999999999999993	0.00696000000000000004	1.20000000000000003e-05	Moderately soluble	-5.11000000000000032	0.00453999999999999976	7.80999999999999976e-06	Moderately soluble	-1.95999999999999996	6.37000000000000011	0.0109999999999999994	Soluble	High	No	Yes	No	No	No	No	No	-8.01999999999999957	1	3	0	1	0	0.550000000000000044
1510	222.319999999999993	C14H22O2	\N	\N	1	CC(=C)[C@@H]1CCC2=C(C1)[C@H](C)[C@H]([C@@H](C2)O)O	16	0	0.709999999999999964	1	2	2	66.5600000000000023	40.4600000000000009	2.58999999999999986	1.92999999999999994	2.41999999999999993	2.37999999999999989	2.24000000000000021	2.31000000000000005	-2.37000000000000011	0.951999999999999957	0.00427999999999999995	Soluble	-2.39999999999999991	0.878000000000000003	0.00395000000000000039	Soluble	-1.78000000000000003	3.66000000000000014	0.0165000000000000008	Soluble	High	Yes	No	No	No	No	No	No	-6.29000000000000004	0	0	0	0	0	0.550000000000000044
820	885.039999999999964	C45H72O17	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	62	0	0.959999999999999964	8	17	9	217.580000000000013	255.909999999999997	4.75	0.839999999999999969	0.209999999999999992	-1.45999999999999996	-1.47999999999999998	0.569999999999999951	-5.33000000000000007	0.00415000000000000004	4.68999999999999999e-06	Moderately soluble	-5.79999999999999982	0.00141000000000000001	1.59999999999999993e-06	Moderately soluble	0.409999999999999976	2280	2.58000000000000007	Soluble	Low	No	Yes	No	No	No	No	No	-11.0999999999999996	3	3	1	1	5	0.170000000000000012
821	1065.20000000000005	C51H84O23	\N	\N	1	OC[C@@H]1O[C@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@](O4)(O)CC[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@H]([C@H]3O)O)O)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O	74	0	0.959999999999999964	15	23	14	253.319999999999993	366.29000000000002	4.99000000000000021	-1.75	-3.00999999999999979	-4.38999999999999968	-3.62999999999999989	-1.56000000000000005	-4.34999999999999964	0.0473999999999999977	4.44999999999999975e-05	Moderately soluble	-5.42999999999999972	0.00398000000000000003	3.74000000000000019e-06	Moderately soluble	2.83999999999999986	742000	697	Soluble	Low	No	Yes	No	No	No	No	No	-14.0399999999999991	3	4	2	1	5	0.170000000000000012
822	448.639999999999986	C27H44O5	\N	\N	1	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H]([C@@H]1O)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2)(C)C[C@H]([C@@H](C3)O)O)C	32	0	1	0	5	3	124.390000000000001	79.1500000000000057	3.91000000000000014	4.54000000000000004	3.74000000000000021	3.39999999999999991	2.5	3.62000000000000011	-5.48000000000000043	0.00147999999999999998	3.30000000000000017e-06	Moderately soluble	-5.91999999999999993	0.000533999999999999969	1.19000000000000004e-06	Moderately soluble	-2.87000000000000011	0.608999999999999986	0.0013600000000000001	Soluble	High	No	Yes	No	No	No	No	No	-5.80999999999999961	0	1	0	0	0	0.550000000000000044
823	869.039999999999964	C45H72O16	\N	\N	1	OC[C@@H]1O[C@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	61	0	0.959999999999999964	7	16	8	216.419999999999987	235.680000000000007	5.58000000000000007	1.34000000000000008	1.23999999999999999	-0.729999999999999982	-0.880000000000000004	1.31000000000000005	-5.61000000000000032	0.00212999999999999995	2.44999999999999984e-06	Moderately soluble	-5.88999999999999968	0.0011199999999999999	1.28999999999999993e-06	Moderately soluble	-0.170000000000000012	584	0.671000000000000041	Soluble	Low	No	Yes	No	No	No	No	No	-10.6500000000000004	3	3	1	1	5	0.170000000000000012
824	414.620000000000005	C27H42O3	\N	\N	1	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	30	0	0.930000000000000049	0	3	1	121.590000000000003	38.6899999999999977	4.51999999999999957	5.66999999999999993	5.70999999999999996	4.94000000000000039	4.29000000000000004	5.03000000000000025	-5.98000000000000043	0.000431000000000000014	1.04e-06	Moderately soluble	-6.25	0.000234999999999999993	5.6599999999999996e-07	Poorly soluble	-4.49000000000000021	0.0134000000000000005	3.21999999999999966e-05	Moderately soluble	High	Yes	No	No	No	No	No	No	-4.79999999999999982	1	2	0	0	1	0.550000000000000044
825	432.639999999999986	C27H44O4	\N	\N	1	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2)(C)C[C@H]([C@@H](C3)O)O)C	31	0	1	0	4	2	123.230000000000004	58.9200000000000017	4.05999999999999961	5.51999999999999957	4.75999999999999979	4.23000000000000043	3.39999999999999991	4.38999999999999968	-6	0.000433000000000000008	9.99999999999999955e-07	Moderately soluble	-6.51999999999999957	0.00013200000000000001	3.04000000000000022e-07	Poorly soluble	-3.68999999999999995	0.0887000000000000011	0.000204999999999999996	Soluble	High	Yes	Yes	No	No	No	No	No	-5.01999999999999957	1	1	0	0	1	0.550000000000000044
826	1051.17000000000007	C50H82O23	\N	\N	1	OC[C@@H]1O[C@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@@H]([C@]3(C[C@H]2O)C)CC[C@]2([C@H]4C[C@H]3[C@@H]2[C@@H]([C@]2(O3)CC[C@H](CO2)C)C)C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@H]1OC[C@H]([C@H]([C@H]1O)O)O)O)O)O	73	0	1	11	23	13	246.800000000000011	355.29000000000002	6.08999999999999986	-1.34000000000000008	-3.29999999999999982	-4.40000000000000036	-4.58000000000000007	-1.51000000000000001	-4.79000000000000004	0.0172	1.62999999999999998e-05	Moderately soluble	-5.62000000000000011	0.00251000000000000008	2.38999999999999999e-06	Moderately soluble	3.25	1890000	1790	Soluble	Low	No	Yes	No	No	No	No	No	-13.6600000000000001	3	4	2	1	5	0.170000000000000012
827	885.039999999999964	C45H72O17	\N	\N	1	OC[C@@H]1O[C@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	62	0	0.959999999999999964	8	17	9	217.580000000000013	255.909999999999997	4.45000000000000018	1.3899999999999999	0.209999999999999992	-1.45999999999999996	-1.47999999999999998	0.619999999999999996	-5.66999999999999993	0.00186999999999999992	2.11000000000000013e-06	Moderately soluble	-6.37000000000000011	0.000380000000000000021	4.2899999999999999e-07	Poorly soluble	0.409999999999999976	2280	2.58000000000000007	Soluble	Low	No	Yes	No	No	No	No	No	-10.7100000000000009	3	3	1	1	5	0.170000000000000012
828	430.620000000000005	C27H42O4	\N	\N	1	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2=O)(C)CC[C@@H](C3)O)C	31	0	0.959999999999999964	0	4	1	122.269999999999996	55.759999999999998	4.09999999999999964	4.83000000000000007	4.96999999999999975	4.08999999999999986	3.99000000000000021	4.40000000000000036	-5.54999999999999982	0.00120999999999999992	2.79999999999999987e-06	Moderately soluble	-5.73000000000000043	0.000794000000000000001	1.83999999999999996e-06	Moderately soluble	-4.37999999999999989	0.0177999999999999999	4.1300000000000001e-05	Moderately soluble	High	Yes	Yes	No	No	No	No	No	-5.5	0	1	0	0	0	0.550000000000000044
829	921.07000000000005	C45H76O19	\N	\N	1	OC[C@@H]1O[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@@](O2)(O)CC[C@H](CO[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@H]1O)O)O	64	0	1	13	19	12	222.569999999999993	307.370000000000005	4.19000000000000039	0.709999999999999964	-1.78000000000000003	-2.75999999999999979	-2.14000000000000012	-0.349999999999999978	-5.13999999999999968	0.00666999999999999971	7.25000000000000004e-06	Moderately soluble	-6.74000000000000021	0.000166999999999999994	1.80999999999999993e-07	Poorly soluble	1.52000000000000002	30400	33	Soluble	Low	No	Yes	No	No	No	No	No	-11.4100000000000001	3	4	2	1	5	0.170000000000000012
830	887.059999999999945	C45H74O17	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2CC[C@]3([C@H](C2)C(=O)C[C@@H]2[C@@H]3CC[C@]3([C@H]2CC[C@@H]3[C@@H]([C@@H]2CC[C@H]([C@H](O2)O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@@H]2O)O)O)C)C)C)C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)O)O	62	0	0.979999999999999982	9	17	9	219.25	263.75	4.41000000000000014	1.67999999999999994	0.479999999999999982	-1.45999999999999996	-1.07000000000000006	0.810000000000000053	-5.79999999999999982	0.00138999999999999996	1.57e-06	Moderately soluble	-6.83000000000000007	0.000129999999999999989	1.47000000000000006e-07	Poorly soluble	0.479999999999999982	2660	3	Soluble	Low	No	Yes	No	No	No	No	No	-10.5199999999999996	3	3	1	1	5	0.170000000000000012
831	1049.20000000000005	C51H84O22	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3CC[C@]4([C@@H](C3)CC[C@@H]3[C@@H]4CC[C@]4([C@H]3C[C@H]3[C@@H]4[C@H](C)[C@]4(O3)CC[C@@H](CO4)C)C)C)O[C@@H]([C@@H]([C@@H]2O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)CO[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@H]1O)O)O	73	0	1	11	22	12	250.439999999999998	335.060000000000002	4.25999999999999979	0.0599999999999999978	-1.87999999999999989	-3.54000000000000004	-3.56999999999999984	-0.930000000000000049	-5.66000000000000014	0.00230999999999999999	2.20000000000000011e-06	Moderately soluble	-6.65000000000000036	0.000234999999999999993	2.23999999999999994e-07	Poorly soluble	2.29000000000000004	204000	195	Soluble	Low	No	Yes	No	No	No	No	No	-12.6600000000000001	3	4	2	1	5	0.170000000000000012
833	1065.20000000000005	C51H84O23	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@](O4)(O)CC[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)O)O	74	0	0.959999999999999964	15	23	14	253.319999999999993	366.29000000000002	4.71999999999999975	-1.19999999999999996	-3.00999999999999979	-4.38999999999999968	-3.62999999999999989	-1.5	-4.70000000000000018	0.0212999999999999995	2.00000000000000016e-05	Moderately soluble	-6	0.00106999999999999999	9.99999999999999955e-07	Moderately soluble	2.83999999999999986	742000	697	Soluble	Low	No	Yes	No	No	No	No	No	-13.6500000000000004	3	4	2	1	5	0.170000000000000012
834	430.620000000000005	C27H42O4	\N	\N	1	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)[C@H](O)C[C@@H](C3)O)C	31	0	0.930000000000000049	0	4	2	122.760000000000005	58.9200000000000017	4.29999999999999982	4.70000000000000018	4.67999999999999972	4.08999999999999986	3.39000000000000012	4.23000000000000043	-5.46999999999999975	0.00145999999999999993	3.37999999999999983e-06	Moderately soluble	-5.66999999999999993	0.000930000000000000054	2.16000000000000007e-06	Moderately soluble	-3.66999999999999993	0.0918999999999999956	0.000213	Soluble	High	Yes	Yes	No	No	No	No	No	-5.58999999999999986	0	1	0	0	0	0.550000000000000044
835	1049.16000000000008	C50H80O23	\N	\N	1	OC[C@H]1O[C@@H](OCC(=C)CC[C@@]2(O)O[C@@H]3[C@H]([C@@H]2C)[C@@]2([C@@H](C3)[C@@H]3CC=C4[C@]([C@H]3CC2)(C)[C@@H](C[C@@H](C4)O)O[C@@H]2OC[C@H]([C@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@@H]2O)O)O)O)O)O)C)[C@H]([C@@H]([C@H]1O)O)O	73	0	0.92000000000000004	14	23	14	248.039999999999992	366.29000000000002	3	-2.10000000000000009	-3.47999999999999998	-4.65000000000000036	-4.04000000000000004	-2.25	-4.09999999999999964	0.0837999999999999995	7.98000000000000017e-05	Moderately soluble	-5.05999999999999961	0.00905000000000000075	8.63000000000000038e-06	Moderately soluble	3.20999999999999996	1690000	1610	Soluble	Low	No	Yes	No	No	No	No	No	-14.1899999999999995	3	4	2	1	6	0.170000000000000012
836	1229.3599999999999	C57H96O28	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@H]3CC[C@]4([C@@H](C3)CC[C@@H]3[C@@H]4CC[C@]4([C@H]3C[C@H]3[C@@H]4[C@H](C)[C@@](O3)(O)CC[C@H](CO[C@@H]3O[C@H](CO)[C@@H]([C@@H]([C@H]3O)O)O)C)C)C)O[C@@H]([C@@H]([C@@H]2O)O[C@@H]2O[C@@H](C)[C@@H]([C@@H]([C@H]2O)O)O)CO[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@H]1O)O)O	85	0	1	18	28	17	286.180000000000007	445.439999999999998	2.68000000000000016	-2.5299999999999998	-5.09999999999999964	-6.41999999999999993	-5.69000000000000039	-3.41000000000000014	-4.67999999999999972	0.0257000000000000006	2.08999999999999998e-05	Moderately soluble	-6.28000000000000025	0.000644999999999999957	5.2499999999999995e-07	Poorly soluble	4.74000000000000021	68000000	55300	Soluble	Low	No	Yes	No	No	No	No	No	-15.5999999999999996	3	4	2	1	7	0.170000000000000012
837	887.059999999999945	C45H74O17	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@@H](CO3)C)C)C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O	62	0	1	8	17	9	218.060000000000002	255.909999999999997	4.71999999999999975	1.65999999999999992	0.28999999999999998	-1.31000000000000005	-1.46999999999999997	0.780000000000000027	-5.86000000000000032	0.00122999999999999997	1.39000000000000003e-06	Moderately soluble	-6.65000000000000036	0.00020000000000000001	2.2499999999999999e-07	Poorly soluble	0.400000000000000022	2210	2.49000000000000021	Soluble	Low	No	Yes	No	No	No	No	No	-10.5299999999999994	3	3	1	1	5	0.170000000000000012
838	416.639999999999986	C27H44O3	\N	\N	1	C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	30	0	1	0	3	1	122.069999999999993	38.6899999999999977	4.53000000000000025	6.49000000000000021	5.79000000000000004	5.08000000000000007	4.29999999999999982	5.24000000000000021	-6.50999999999999979	0.000127999999999999994	3.08000000000000005e-07	Poorly soluble	-7.09999999999999964	3.32000000000000006e-05	7.97000000000000056e-08	Poorly soluble	-4.50999999999999979	0.0129	3.10000000000000014e-05	Moderately soluble	High	Yes	No	No	No	No	No	No	-4.23000000000000043	1	2	0	0	1	0.550000000000000044
839	416.639999999999986	C27H44O3	\N	\N	1	C[C@@H]1CC[C@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	30	0	1	0	3	1	122.069999999999993	38.6899999999999977	4.37000000000000011	6.49000000000000021	5.79000000000000004	5.08000000000000007	4.29999999999999982	5.20999999999999996	-6.50999999999999979	0.000127999999999999994	3.08000000000000005e-07	Poorly soluble	-7.09999999999999964	3.32000000000000006e-05	7.97000000000000056e-08	Poorly soluble	-4.50999999999999979	0.0129	3.10000000000000014e-05	Moderately soluble	High	Yes	No	No	No	No	No	No	-4.23000000000000043	1	2	0	0	1	0.550000000000000044
840	1197.30999999999995	C56H92O27	\N	\N	1	OC[C@@H]1O[C@H](O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2C[C@H]2[C@@H]3[C@H](C)[C@]3(O2)CC[C@H](CO3)C)C)C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O[C@H]1OC[C@H]([C@H]([C@H]1O)O)O)O)O)O	83	0	1	14	27	15	278.019999999999982	414.20999999999998	3.31000000000000005	-1.95999999999999996	-4.45000000000000018	-5.87000000000000011	-5.79999999999999982	-2.95000000000000018	-5.09999999999999964	0.00940999999999999996	7.85999999999999928e-06	Moderately soluble	-6.21999999999999975	0.000729000000000000047	6.09000000000000014e-07	Poorly soluble	4.33000000000000007	25700000	21400	Soluble	Low	No	Yes	No	No	No	No	No	-15	3	4	2	1	5	0.170000000000000012
842	1049.20000000000005	C51H84O22	\N	\N	1	OC[C@@H]1O[C@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@@](O4)(O)CC[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@H]([C@H]3O)O)O)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O	73	0	0.959999999999999964	14	22	13	252.159999999999997	346.060000000000002	4.17999999999999972	-1.25	-1.97999999999999998	-3.68000000000000016	-3.0299999999999998	-1.14999999999999991	-4.62999999999999989	0.0244000000000000015	2.33000000000000005e-05	Moderately soluble	-5.51999999999999957	0.00316000000000000005	3.00999999999999998e-06	Moderately soluble	2.25999999999999979	189000	180	Soluble	Low	No	Yes	No	No	No	No	No	-13.5899999999999999	3	4	2	1	5	0.170000000000000012
843	414.620000000000005	C27H42O3	\N	\N	1	C[C@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C	30	0	0.930000000000000049	0	3	1	121.590000000000003	38.6899999999999977	4.42999999999999972	5.66999999999999993	5.70999999999999996	4.94000000000000039	4.29000000000000004	5.00999999999999979	-5.98000000000000043	0.000431000000000000014	1.04e-06	Moderately soluble	-6.25	0.000234999999999999993	5.6599999999999996e-07	Poorly soluble	-4.49000000000000021	0.0134000000000000005	3.21999999999999966e-05	Moderately soluble	High	Yes	No	No	No	No	No	No	-4.79999999999999982	1	2	0	0	1	0.550000000000000044
844	722.899999999999977	C39H62O12	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	51	0	0.949999999999999956	5	12	6	185.199999999999989	176.759999999999991	5.16999999999999993	2.97999999999999998	2.39000000000000012	0.819999999999999951	0.630000000000000004	2.39999999999999991	-5.87000000000000011	0.000977000000000000004	1.34999999999999999e-06	Moderately soluble	-6.36000000000000032	0.000319000000000000002	4.40999999999999992e-07	Poorly soluble	-1.45999999999999996	25.3999999999999986	0.0350999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-8.58999999999999986	3	3	1	1	5	0.170000000000000012
845	646.809999999999945	C36H54O10	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2CC[C@]34[C@H]([C@]2(C)C(=O)O)CC[C@@H]2[C@@]4(C3)CC[C@]3([C@@]2(C)CC[C@@H]3[C@@H]([C@@H]2CC=C(C(=O)O2)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O	46	0	0.890000000000000013	6	10	5	168.469999999999999	162.97999999999999	3.29000000000000004	5.28000000000000025	3.56999999999999984	2.41999999999999993	3.02000000000000002	3.52000000000000002	-6.78000000000000025	0.000106999999999999999	1.66000000000000004e-07	Poorly soluble	-8.44999999999999929	2.28000000000000019e-06	3.53000000000000001e-09	Poorly soluble	-3.24000000000000021	0.371999999999999997	0.00057499999999999999	Soluble	Low	No	Yes	No	No	No	No	No	-6.5	1	3	1	1	3	0.110000000000000001
846	1131.25999999999999	C55H86O24	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]([C@H]([C@@H]2O)O[C@@H]2O[C@@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)[C@H]([C@@H]2OC(=O)C)OC(=O)/C(=C\\C)/C)CO)O)C)C)[C@H]([C@H]([C@@H]1O)O)O	79	0	0.869999999999999996	16	24	13	271.870000000000005	388.04000000000002	2.93999999999999995	0.67000000000000004	-1.32000000000000006	-3.24000000000000021	-1.54000000000000004	-0.5	-6.21999999999999975	0.000681999999999999989	6.02999999999999986e-07	Poorly soluble	-8.40000000000000036	4.54999999999999964e-06	4.01999999999999977e-09	Poorly soluble	0.939999999999999947	9810	8.66999999999999993	Soluble	Low	No	Yes	No	No	No	No	No	-12.7200000000000006	3	4	2	1	6	0.110000000000000001
847	659.889999999999986	C38H61NO8	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)NC(=O)C	47	0	0.890000000000000013	6	8	5	180.490000000000009	145.550000000000011	2.97999999999999998	5.88999999999999968	5.20000000000000018	3.14000000000000012	3.99000000000000021	4.24000000000000021	-7.25	3.74000000000000011e-05	5.66999999999999982e-08	Poorly soluble	-8.72000000000000064	1.26000000000000001e-06	1.90999999999999981e-09	Poorly soluble	-5.23000000000000043	0.00391000000000000028	5.92999999999999998e-06	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-6.13999999999999968	1	3	1	1	2	0.560000000000000053
848	943.120000000000005	C48H78O18	\N	\N	1	OC[C@@H]1O[C@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@H]([C@H]2O)O)O)C)C)[C@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O	66	0	0.939999999999999947	10	18	11	233.389999999999986	294.980000000000018	4.20999999999999996	2.49000000000000021	0.140000000000000013	-1.39999999999999991	-0.369999999999999996	1.01000000000000001	-6.59999999999999964	0.000239000000000000009	2.53000000000000002e-07	Poorly soluble	-8.33000000000000007	4.41000000000000013e-06	4.68000000000000038e-09	Poorly soluble	-0.599999999999999978	236	0.251000000000000001	Soluble	Low	No	Yes	No	No	No	No	No	-10.2899999999999991	3	3	1	1	5	0.170000000000000012
849	784.970000000000027	C41H68O14	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@H](OC[C@H]([C@H]2O)O)O[C@H]2CC[C@]34[C@H](C2(C)C)[C@@H](O)C[C@@H]2[C@@]4(C3)CC[C@]3([C@@]2(C)C[C@@H]([C@@H]3[C@@]2(C)CC[C@H](O2)C(O)(C)C)O)C)[C@@H]([C@H]([C@H]1O)O)O	55	0	1	7	14	9	196.949999999999989	228.219999999999999	4.61000000000000032	1.26000000000000001	0.719999999999999973	-0.589999999999999969	0.520000000000000018	1.31000000000000005	-5.04000000000000004	0.00717999999999999975	9.15000000000000049e-06	Moderately soluble	-5.65000000000000036	0.00175000000000000004	2.22999999999999982e-06	Moderately soluble	-1.1100000000000001	60.5	0.0771000000000000019	Soluble	Low	No	Yes	No	No	No	No	No	-10.1899999999999995	3	3	1	1	5	0.170000000000000012
850	931.110000000000014	C47H78O18	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2C[C@H]3[C@]4(C)C[C@@H]([C@@H]([C@@]4(C)CC[C@]43[C@@]3([C@@H]2C(C)(C)[C@H](CC3)O[C@@H]2OC[C@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@@H]([C@H]2O)O)O)O)O)C4)[C@@]2(C)CC[C@H](O2)C(O)(C)C)O)[C@H]([C@H]([C@H]1O)O)O	65	0	1	9	18	11	228.169999999999987	287.139999999999986	4.29000000000000004	0.170000000000000012	-0.419999999999999984	-2.12000000000000011	-0.959999999999999964	0.190000000000000002	-5.12999999999999989	0.00696999999999999963	7.48000000000000038e-06	Moderately soluble	-5.75999999999999979	0.00162999999999999994	1.74999999999999997e-06	Moderately soluble	0.179999999999999993	1410	1.51000000000000001	Soluble	Low	No	Yes	No	No	No	No	No	-11.8599999999999994	3	4	1	1	5	0.170000000000000012
851	1094.24000000000001	C55H83NO21	\N	\N	1	OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](OC[C@@H]([C@@H]2O)O[C@@H]2O[C@@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3C[C@H]3O[C@]43[C@@]2(C)C[C@@H]([C@@]2([C@H]4C[C@@](C)(C=O)[C@H](C2)OC(=O)c2ccccc2NC)C)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	77	6	0.849999999999999978	14	21	12	268.180000000000007	345.839999999999975	2.85999999999999988	1.27000000000000002	-0.699999999999999956	-2.91999999999999993	-0.349999999999999978	0.0299999999999999989	-6.55999999999999961	0.000302999999999999992	2.77000000000000005e-07	Poorly soluble	-8.13000000000000078	8.08000000000000057e-06	7.37999999999999974e-09	Poorly soluble	-2.08999999999999986	8.83000000000000007	0.00807000000000000078	Soluble	Low	No	Yes	No	No	No	No	No	-12.0700000000000003	3	4	2	1	5	0.170000000000000012
853	580.580000000000041	C34H28O9	\N	\N	1	Oc1ccc(c(c1)O)[C@@H]1CC(=C[C@H]([C@H]1C(=O)c1ccc(cc1O)O)c1c(O)cc(cc1O)c1cc2c(o1)cc(cc2)O)C	43	27	0.149999999999999994	5	9	7	161.22999999999999	171.819999999999993	3	5.98000000000000043	6.75999999999999979	1.95999999999999996	4.5	4.44000000000000039	-7.33999999999999986	2.64000000000000013e-05	4.54999999999999971e-08	Poorly soluble	-9.35999999999999943	2.51000000000000011e-07	4.32000000000000007e-10	Poorly soluble	-7.59999999999999964	1.46000000000000008e-05	2.52000000000000007e-08	Poorly soluble	Low	No	No	No	No	No	No	No	-5.59999999999999964	2	4	1	2	3	0.170000000000000012
854	810.960000000000036	C42H66O15	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3C[C@@](C)(CC2)C(=O)O)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O	57	0	0.900000000000000022	8	15	9	203.189999999999998	253.129999999999995	2.56000000000000005	2.39999999999999991	1.94999999999999996	0.119999999999999996	0.660000000000000031	1.54000000000000004	-5.84999999999999964	0.00113999999999999995	1.41000000000000005e-06	Moderately soluble	-7.36000000000000032	3.5599999999999998e-05	4.39000000000000027e-08	Poorly soluble	-1.41999999999999993	31.1000000000000014	0.0383999999999999966	Soluble	Low	No	Yes	No	No	No	No	No	-9.53999999999999915	3	3	1	1	4	0.110000000000000001
855	490.720000000000027	C30H50O5	\N	\N	1	OC[C@]12[C@H](O)C[C@@]3(C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@]4(C)CC[C@@H](C3(C)C)O)[C@@H]2CC([C@H]([C@@H]1O)O)(C)C)C	35	0	0.930000000000000049	1	5	5	139.530000000000001	101.150000000000006	3.74000000000000021	4.63999999999999968	4.04999999999999982	3.43999999999999995	3.62999999999999989	3.89999999999999991	-5.74000000000000021	0.000894000000000000046	1.81999999999999994e-06	Moderately soluble	-6.49000000000000021	0.000158999999999999989	3.2300000000000002e-07	Poorly soluble	-4.12000000000000011	0.0367999999999999994	7.49999999999999934e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-6	0	3	0	0	0	0.550000000000000044
1113	176.169999999999987	C10H8O3	\N	\N	1	COc1ccc2c(c1)oc(=O)cc2	13	10	0.100000000000000006	1	3	0	48.9799999999999969	39.4399999999999977	2.06000000000000005	1.73999999999999999	1.80000000000000004	1.34000000000000008	2.43999999999999995	1.87999999999999989	-2.5299999999999998	0.518000000000000016	0.00293999999999999991	Soluble	-2.18999999999999995	1.14999999999999991	0.00653000000000000021	Soluble	-3.74000000000000021	0.0323999999999999982	0.000184	Soluble	High	Yes	No	Yes	No	No	No	No	-6.13999999999999968	0	0	0	0	1	0.550000000000000044
856	812.980000000000018	C42H68O15	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2[C@@H](O)C[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)C)C)[C@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	57	0	0.930000000000000049	8	15	10	203.740000000000009	256.29000000000002	1.89999999999999991	1.55000000000000004	0.82999999999999996	-0.599999999999999978	0.220000000000000001	0.780000000000000027	-5.33000000000000007	0.00381000000000000002	4.68999999999999999e-06	Moderately soluble	-6.54000000000000004	0.000233999999999999996	2.87000000000000016e-07	Poorly soluble	-1.06000000000000005	70.2999999999999972	0.0864999999999999936	Soluble	Low	No	Yes	No	No	No	No	No	-10.1600000000000001	3	3	1	1	4	0.110000000000000001
857	1147.25999999999999	C55H86O25	\N	\N	1	OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]([C@H]([C@@H]2O)O[C@@H]2O[C@@H](CO)[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC(=O)[C@@H]2[C@@]3(OC(=O)C)CC(C)(C)CC2)C)C)[C@@H]([C@H]([C@H]1O)O)O	80	0	0.910000000000000031	14	25	13	271.620000000000005	397.269999999999982	4.21999999999999975	-0.419999999999999984	-1.96999999999999997	-4.25999999999999979	-2.60999999999999988	-1.01000000000000001	-5.75999999999999979	0.00196999999999999996	1.72000000000000005e-06	Moderately soluble	-7.45999999999999996	4.00000000000000033e-05	3.48000000000000006e-08	Poorly soluble	1.23999999999999999	20100	17.5	Soluble	Low	No	Yes	No	No	No	No	No	-13.5999999999999996	3	4	2	1	5	0.110000000000000001
858	1105.22000000000003	C53H84O24	\N	\N	1	OC[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]([C@H]([C@@H]2O[C@@H]2O[C@@H](CO)[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC(=O)[C@@H]2[C@@]3(O)CC(C)(C)CC2)C)C)[C@@H]([C@H]([C@H]1O)O)O	77	0	0.92000000000000004	12	24	14	261.879999999999995	391.199999999999989	2.87000000000000011	-0.450000000000000011	-2.54000000000000004	-4.58000000000000007	-3.16999999999999993	-1.57000000000000006	-5.62000000000000011	0.00267000000000000006	2.42000000000000012e-06	Moderately soluble	-7.29999999999999982	5.55000000000000006e-05	5.01999999999999995e-08	Poorly soluble	1.81000000000000005	72000	65.2000000000000028	Soluble	Low	No	Yes	No	No	No	No	No	-13.3599999999999994	3	4	2	1	5	0.110000000000000001
859	674.82000000000005	C37H54O11	\N	\N	1	CC(=O)O[C@@H]1C[C@]23C[C@]43CC[C@@H](C([C@@H]4CC=C2[C@]2([C@@]1(C)[C@H]1[C@H](C)C[C@@]3(O[C@H]1C2)O[C@@H]([C@@]1([C@H]3O1)C)O)C)(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O	48	0	0.92000000000000004	4	11	4	170.610000000000014	156.669999999999987	3.64000000000000012	2.54999999999999982	2.95000000000000018	1.53000000000000003	2.45000000000000018	2.62000000000000011	-5.37000000000000011	0.0028999999999999998	4.30000000000000033e-06	Moderately soluble	-5.49000000000000021	0.00220000000000000013	3.26000000000000013e-06	Moderately soluble	-3.20999999999999996	0.416999999999999982	0.000617999999999999951	Soluble	Low	No	Yes	No	No	No	No	No	-8.60999999999999943	2	3	1	1	4	0.170000000000000012
860	941.110000000000014	C48H76O18	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2[C@H](O)CO[C@@H]([C@@H]2OC(=O)C)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@H]3[C@@]42CO[C@]2(C4)[C@@H]3[C@@](C)(O)C[C@@H](O2)C=C(C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@H]([C@@H]([C@@H]1O)O)O	66	0	0.939999999999999947	10	18	8	231.650000000000006	261.980000000000018	3.7200000000000002	2.20000000000000018	1.17999999999999994	-1	0.440000000000000002	1.31000000000000005	-6.40000000000000036	0.000373999999999999983	3.97000000000000021e-07	Poorly soluble	-7.33999999999999986	4.33999999999999978e-05	4.61999999999999968e-08	Poorly soluble	-1.17999999999999994	61.8999999999999986	0.0657999999999999974	Soluble	Low	No	Yes	No	No	No	No	No	-10.4800000000000004	3	3	1	1	5	0.170000000000000012
861	983.139999999999986	C50H78O19	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@@H]([C@H]2OC(=O)C)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@H]3[C@@]42CO[C@]2(C4)[C@@H]3[C@@](C)(O)C[C@@H](O2)C=C(C)C)C)C)[C@@H]([C@@H]([C@@H]1OC(=O)C)O[C@H]1OC[C@@H]([C@H]([C@H]1O)O)O)O	69	0	0.92000000000000004	12	19	7	241.379999999999995	268.050000000000011	4.42999999999999972	2.2200000000000002	1.75	-0.689999999999999947	0.989999999999999991	1.73999999999999999	-6.54000000000000004	0.000282000000000000024	2.87000000000000016e-07	Poorly soluble	-7.48000000000000043	3.22999999999999991e-05	3.28000000000000025e-08	Poorly soluble	-1.76000000000000001	17.1999999999999993	0.0175000000000000017	Soluble	Low	No	Yes	No	No	No	No	No	-10.7200000000000006	3	3	2	1	5	0.170000000000000012
862	1223.34999999999991	C58H94O27	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@@H]([C@@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O[C@H]2OC[C@@H]([C@H]([C@H]2O)O)O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@]34[C@@]2(C)C[C@H]([C@@]2([C@H]4C[C@@](C)(C=O)CC2)CO3)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	85	0	0.979999999999999982	14	27	15	285.70999999999998	422.050000000000011	4.79000000000000004	-2.66999999999999993	-4.07000000000000028	-6.12999999999999989	-4.08999999999999986	-2.43000000000000016	-4.82000000000000028	0.0185999999999999985	1.52000000000000002e-05	Moderately soluble	-5.63999999999999968	0.00277999999999999992	2.26999999999999987e-06	Moderately soluble	2.70000000000000018	609000	498	Soluble	Low	No	Yes	No	No	No	No	No	-15.6600000000000001	3	4	2	1	6	0.170000000000000012
864	810.960000000000036	C42H66O15	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2CC[C@]3([C@H]([C@]2(C)C(=O)O)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	57	0	0.900000000000000022	8	15	9	202.780000000000001	253.129999999999995	3.72999999999999998	2.79000000000000004	1.37999999999999989	0.119999999999999996	0.660000000000000031	1.73999999999999999	-6.09999999999999964	0.00064800000000000003	7.98999999999999995e-07	Poorly soluble	-7.75999999999999979	1.39999999999999998e-05	1.72999999999999994e-08	Poorly soluble	-1.41999999999999993	31.1000000000000014	0.0383999999999999966	Soluble	Low	No	Yes	No	No	No	No	No	-9.26999999999999957	3	3	1	1	4	0.110000000000000001
1623	150.219999999999999	C10H14O	\N	\N	1	C[C@H]1CCc2c(C1)occ2C	11	5	0.599999999999999978	0	1	0	45.9099999999999966	13.1400000000000006	2.43999999999999995	3.02000000000000002	2.70999999999999996	2.14999999999999991	3.2799999999999998	2.7200000000000002	-3.00999999999999979	0.146999999999999992	0.000977000000000000004	Soluble	-2.95999999999999996	0.164000000000000007	0.00109000000000000004	Soluble	-3.25	0.0855000000000000066	0.000568999999999999953	Soluble	High	Yes	No	Yes	No	No	Yes	No	-5.07000000000000028	0	1	0	0	2	0.550000000000000044
865	472.699999999999989	C30H48O4	\N	\N	1	O[C@@H]1C[C@]2(C)C(=CC[C@H]3[C@@]2(C)CC[C@@H]2[C@]3(C)CC[C@@H](C2(C)C)O)[C@H]2[C@@]1(CCC(C2)(C)C)C(=O)O	34	0	0.900000000000000022	1	4	3	137.819999999999993	77.7600000000000051	3.41000000000000014	6.87999999999999989	6.20000000000000018	4.96999999999999975	4.95999999999999996	5.28000000000000025	-7.04000000000000004	4.31999999999999997e-05	9.13999999999999979e-08	Poorly soluble	-8.32000000000000028	2.24000000000000015e-06	4.75000000000000035e-09	Poorly soluble	-5.29999999999999982	0.00237000000000000014	5.02000000000000022e-06	Moderately soluble	High	No	Yes	No	No	No	No	No	-4.29999999999999982	1	3	0	1	1	0.560000000000000053
866	748.940000000000055	C41H64O12	\N	\N	1	OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](OC[C@H](C2=O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	53	0	0.900000000000000022	6	12	6	194.490000000000009	192.439999999999998	4.08000000000000007	4.79000000000000004	3.72999999999999998	1.37000000000000011	2.75	3.33999999999999986	-7.11000000000000032	5.87999999999999995e-05	7.84999999999999949e-08	Poorly soluble	-8.5600000000000005	2.04999999999999985e-06	2.74000000000000005e-09	Poorly soluble	-3.62000000000000011	0.177999999999999992	0.000238000000000000012	Soluble	Low	No	Yes	No	No	No	No	No	-7.46999999999999975	3	3	1	1	4	0.110000000000000001
867	947.149999999999977	C48H82O18	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)(CCC=C(C)C)C)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	66	0	0.959999999999999964	12	18	12	237.030000000000001	298.139999999999986	4.40000000000000036	1.57000000000000006	-0.0299999999999999989	-2.10999999999999988	-0.609999999999999987	0.650000000000000022	-5.91000000000000014	0.00117000000000000003	1.23000000000000008e-06	Moderately soluble	-7.44000000000000039	3.43000000000000002e-05	3.61999999999999999e-08	Poorly soluble	0.419999999999999984	2490	2.62999999999999989	Soluble	Low	No	Yes	No	No	No	No	No	-10.9600000000000009	3	3	2	1	4	0.170000000000000012
868	801.009999999999991	C42H72O14	\N	\N	1	OC[C@@H]1O[C@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@](CCC=C(C)C)(O)C)O)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](CO)[C@H]([C@@H]([C@@H]1O)O)O	56	0	0.949999999999999956	10	14	10	205.810000000000002	239.219999999999999	5.25	2.66999999999999993	1.12000000000000011	-0.569999999999999951	0.839999999999999969	1.8600000000000001	-5.83000000000000007	0.00119000000000000009	1.48000000000000002e-06	Moderately soluble	-7.34999999999999964	3.6199999999999999e-05	4.51000000000000002e-08	Poorly soluble	-0.869999999999999996	107	0.134000000000000008	Soluble	Low	No	Yes	No	No	No	No	No	-9.28999999999999915	3	3	1	1	4	0.170000000000000012
869	801.009999999999991	C42H72O14	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O	56	0	0.949999999999999956	10	14	10	205.810000000000002	239.219999999999999	3.70000000000000018	2.66999999999999993	1.12000000000000011	-0.569999999999999951	0.839999999999999969	1.55000000000000004	-5.83000000000000007	0.00119000000000000009	1.48000000000000002e-06	Moderately soluble	-7.34999999999999964	3.6199999999999999e-05	4.51000000000000002e-08	Poorly soluble	-0.869999999999999996	107	0.134000000000000008	Soluble	Low	No	Yes	No	No	No	No	No	-9.28999999999999915	3	3	1	1	4	0.170000000000000012
870	806.980000000000018	C43H66O14	\N	\N	1	C/C=C(/C(=O)O[C@H]1[C@H](O)[C@]2(COC(=O)C)[C@@H](O)C[C@@]3(C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@]4(C)CC[C@@H]([C@@]3(C)CO)O[C@H]3O[C@H](C(=O)O)[C@H]([C@@H]([C@H]3O)O)O)[C@@H]2CC1(C)C)C)\\C	57	0	0.839999999999999969	10	14	7	207.110000000000014	229.740000000000009	4.83000000000000007	3.85999999999999988	3.0299999999999998	1.25	2.54999999999999982	3.10000000000000009	-6.62000000000000011	0.000195999999999999994	2.42999999999999992e-07	Poorly soluble	-8.38000000000000078	3.35000000000000011e-06	4.1599999999999997e-09	Poorly soluble	-2.85000000000000009	1.14999999999999991	0.00143000000000000006	Soluble	Low	No	Yes	No	No	No	No	No	-8.48000000000000043	3	3	1	1	4	0.110000000000000001
871	931.110000000000014	C47H78O18	\N	\N	1	OC[C@H]1O[C@@H](OC[C@@]([C@H]2CC[C@@]3([C@@H]2CC[C@H]2[C@@]3(C)CC[C@@H]3[C@]2(C=O)CC[C@@H](C3(C)C)O[C@@H]2OC[C@@H]([C@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O)C)(CCC=C(C)C)O)[C@@H]([C@H]([C@@H]1O)O)O	65	0	0.939999999999999947	14	18	11	231.259999999999991	294.980000000000018	4.05999999999999961	1.40999999999999992	-0.209999999999999992	-2.37000000000000011	0.130000000000000004	0.599999999999999978	-5.58000000000000007	0.00245999999999999995	2.65000000000000004e-06	Moderately soluble	-7.20999999999999996	5.75999999999999974e-05	6.17999999999999975e-08	Poorly soluble	-0.0700000000000000067	798	0.856999999999999984	Soluble	Low	No	Yes	No	No	No	No	No	-10.9800000000000004	3	3	2	1	4	0.170000000000000012
873	792.950000000000045	C42H64O14	\N	\N	1	O=C[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C)O[C@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)O)O)O	56	0	0.880000000000000004	7	14	7	201.069999999999993	229.740000000000009	3.9700000000000002	3.68000000000000016	3.18000000000000016	0.760000000000000009	1.56000000000000005	2.62999999999999989	-6.61000000000000032	0.000193000000000000002	2.44000000000000014e-07	Poorly soluble	-8.1899999999999995	5.06999999999999974e-06	6.38999999999999965e-09	Poorly soluble	-2.12000000000000011	6	0.00757000000000000034	Soluble	Low	No	Yes	No	No	No	No	No	-8.51999999999999957	3	3	1	1	4	0.110000000000000001
874	604.809999999999945	C35H56O8	\N	\N	1	OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O	43	0	0.910000000000000031	4	8	5	164.22999999999999	136.680000000000007	3.81999999999999984	4.74000000000000021	4.66999999999999993	3.06999999999999984	3.64999999999999991	3.99000000000000021	-6.30999999999999961	0.000295000000000000015	4.86999999999999954e-07	Poorly soluble	-7.33999999999999986	2.76e-05	4.56999999999999989e-08	Poorly soluble	-4.17999999999999972	0.0396000000000000033	6.55000000000000065e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-6.62000000000000011	1	3	0	1	1	0.560000000000000053
875	750.960000000000036	C41H66O12	\N	\N	1	OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C)O[C@H]1OC[C@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)O)O)O)O	53	0	0.930000000000000049	6	12	7	195.449999999999989	195.599999999999994	4.25	3.64000000000000012	3.52000000000000002	1.45999999999999996	2.16999999999999993	3.00999999999999979	-6.38999999999999968	0.000304000000000000017	4.04000000000000018e-07	Poorly soluble	-7.44000000000000039	2.7500000000000001e-05	3.65999999999999969e-08	Poorly soluble	-2.93000000000000016	0.890000000000000013	0.00119000000000000009	Soluble	Low	No	Yes	No	No	No	No	No	-8.30000000000000071	3	3	1	1	4	0.110000000000000001
876	734.960000000000036	C41H66O11	\N	\N	1	O[C@@H]1CO[C@@H]([C@@H]([C@@H]1O)O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C	52	0	0.930000000000000049	5	11	6	194.289999999999992	175.370000000000005	4.25999999999999979	4.86000000000000032	4.54999999999999982	2.2200000000000002	2.77000000000000002	3.72999999999999998	-7.12999999999999989	5.47000000000000014e-05	7.44000000000000045e-08	Poorly soluble	-8.27999999999999936	3.88000000000000012e-06	5.27999999999999996e-09	Poorly soluble	-3.50999999999999979	0.228000000000000008	0.00031	Soluble	Low	No	Yes	No	No	No	No	No	-7.33000000000000007	3	3	1	1	4	0.110000000000000001
877	1059.24000000000001	C53H86O21	\N	\N	1	O[C@H]1[C@H](O[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)CO[C@H]1OC[C@H]([C@H]([C@H]1O)O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@H]([C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)O)C)C	74	0	0.939999999999999947	10	21	12	259.060000000000002	333.670000000000016	5.41999999999999993	1.02000000000000002	0.200000000000000011	-2.37000000000000011	-1.67999999999999994	0.520000000000000018	-6.38999999999999968	0.000431999999999999984	4.08000000000000001e-07	Poorly soluble	-7.62000000000000011	2.55999999999999988e-05	2.42000000000000016e-08	Poorly soluble	0.5	3370	3.18000000000000016	Soluble	Low	No	Yes	No	No	No	No	No	-12.0399999999999991	3	3	1	1	5	0.110000000000000001
878	586.799999999999955	C35H54O7	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1(C2=C(C)[C@@H](C)CC1)C(=O)O)C)C	42	0	0.859999999999999987	4	7	4	162.849999999999994	116.450000000000003	4.28000000000000025	5.54000000000000004	5.62000000000000011	3.77000000000000002	4.41000000000000014	4.71999999999999975	-6.70000000000000018	0.000116000000000000001	1.98e-07	Poorly soluble	-7.75	1.04999999999999994e-05	1.79999999999999991e-08	Poorly soluble	-4.87000000000000011	0.00786000000000000067	1.34000000000000005e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-5.95000000000000018	1	4	0	0	1	0.560000000000000053
879	943.120000000000005	C48H78O18	\N	\N	1	OC[C@@H]1O[C@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	66	0	0.939999999999999947	10	18	11	233.800000000000011	294.980000000000018	3.74000000000000021	2.14999999999999991	0.709999999999999964	-1.39999999999999991	-0.369999999999999996	0.959999999999999964	-6.37999999999999989	0.000391000000000000017	4.14999999999999997e-07	Poorly soluble	-7.98000000000000043	9.9499999999999996e-06	1.04999999999999997e-08	Poorly soluble	-0.599999999999999978	236	0.251000000000000001	Soluble	Low	No	Yes	No	No	No	No	No	-10.5299999999999994	3	3	1	1	5	0.110000000000000001
895	286.279999999999973	C16H14O5	\N	\N	1	COc1ccc(c(c1)O)c1cc2c(o1)cc(c(c2)O)OC	21	15	0.119999999999999996	3	5	2	78.6800000000000068	72.0600000000000023	2.95000000000000018	3.2200000000000002	3.5299999999999998	1.14999999999999991	3	2.77000000000000002	-3.9700000000000002	0.0303999999999999999	0.000106000000000000002	Soluble	-4.41000000000000014	0.0111999999999999999	3.92999999999999998e-05	Moderately soluble	-4.91000000000000014	0.0035599999999999998	1.23999999999999999e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	Yes	-5.75999999999999979	0	0	0	0	0	0.550000000000000044
880	989.100000000000023	C48H76O21	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2[C@@H](O)C[C@]3([C@H]([C@]2(C)C(=O)O)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O	69	0	0.92000000000000004	11	21	13	236.740000000000009	352.509999999999991	0.299999999999999989	-0.119999999999999996	-1.26000000000000001	-2.83000000000000007	-2.29000000000000004	-1.23999999999999999	-5.16999999999999993	0.00666999999999999971	6.74999999999999975e-06	Moderately soluble	-6.83000000000000007	0.000146999999999999995	1.48000000000000002e-07	Poorly soluble	1.30000000000000004	19700	19.8999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-12.4199999999999999	3	4	2	1	5	0.110000000000000001
882	933.129999999999995	C47H80O18	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2[C@@](O[C@@H]2O[C@@H](CO)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@H]1OC[C@@H]([C@@H]([C@@H]1O)O)O	65	0	0.959999999999999964	12	18	12	232.219999999999999	298.139999999999986	4.11000000000000032	1.1399999999999999	-0.419999999999999984	-2.27000000000000002	-0.75	0.359999999999999987	-5.54999999999999982	0.00261999999999999993	2.8100000000000002e-06	Moderately soluble	-7	9.44000000000000042e-05	1.01000000000000004e-07	Poorly soluble	0.550000000000000044	3330	3.56000000000000005	Soluble	Low	No	Yes	No	No	No	No	No	-11.1799999999999997	3	4	2	1	4	0.170000000000000012
883	941.110000000000014	C48H76O18	\N	\N	1	OC[C@H]1O[C@@H](OC(=O)[C@]23CC[C@@]4(C(=CC[C@H]5[C@@]4(C)CC[C@@H]4[C@]5(C)CC[C@@H](C4(C)C)O[C@H]4O[C@H](C(=O)O)[C@H]([C@@H]([C@H]4O)O)O[C@@H]4O[C@H](C)[C@@H]([C@@H]([C@@H]4O)O)O)[C@@H]3CC(CC2)(C)C)C)[C@@H]([C@@H]([C@@H]1O)O)O	66	0	0.92000000000000004	9	18	10	232.840000000000003	291.819999999999993	4.83000000000000007	2.68999999999999995	1.26000000000000001	-0.689999999999999947	-0.220000000000000001	1.57000000000000006	-6.78000000000000025	0.000157999999999999992	1.67999999999999996e-07	Poorly soluble	-8.47000000000000064	3.18000000000000005e-06	3.37999999999999991e-09	Poorly soluble	-0.709999999999999964	185	0.197000000000000008	Soluble	Low	No	Yes	No	No	No	No	No	-10.1300000000000008	3	3	1	1	5	0.110000000000000001
884	943.120000000000005	C48H78O18	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)C)C)[C@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O	66	0	0.939999999999999947	10	18	11	233.800000000000011	294.980000000000018	3.41000000000000014	2.14999999999999991	0.709999999999999964	-1.39999999999999991	-0.369999999999999996	0.900000000000000022	-6.37999999999999989	0.000391000000000000017	4.14999999999999997e-07	Poorly soluble	-7.98000000000000043	9.9499999999999996e-06	1.04999999999999997e-08	Poorly soluble	-0.599999999999999978	236	0.251000000000000001	Soluble	Low	No	Yes	No	No	No	No	No	-10.5299999999999994	3	3	1	1	5	0.110000000000000001
885	632.82000000000005	C36H56O9	\N	\N	1	O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C	45	0	0.890000000000000013	4	9	5	169.650000000000006	153.75	2.33999999999999986	6.13999999999999968	5.15000000000000036	3.18999999999999995	3.33000000000000007	4.03000000000000025	-7.37000000000000011	2.71000000000000014e-05	4.29000000000000003e-08	Poorly soluble	-9.15000000000000036	4.47000000000000019e-07	7.06000000000000044e-10	Poorly soluble	-3.85000000000000009	0.0899999999999999967	0.000142000000000000009	Soluble	Low	No	Yes	No	No	No	No	Yes	-5.79999999999999982	1	3	1	1	3	0.110000000000000001
886	440.660000000000025	C29H44O3	\N	\N	1	O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@@H]1[C@@]3([C@H]2C[C@@]1(C)CC3)C(=O)O)C)C	32	0	0.900000000000000022	1	3	2	129.72999999999999	57.5300000000000011	3.62000000000000011	6.62000000000000011	6.45000000000000018	5.62999999999999989	5.32000000000000028	5.53000000000000025	-6.67999999999999972	9.2800000000000006e-05	2.10999999999999997e-07	Poorly soluble	-7.62999999999999989	1.04000000000000004e-05	2.34999999999999987e-08	Poorly soluble	-5.50999999999999979	0.00135000000000000007	3.06999999999999983e-06	Moderately soluble	High	No	No	No	No	Yes	No	No	-4.29000000000000004	1	2	0	1	1	0.560000000000000053
920	408.360000000000014	C19H20O10	\N	\N	1	OC[C@H]1O[C@@H](OCc2cc(=O)c3c(o2)cc2c(c3OC)cco2)[C@@H]([C@H]([C@@H]1O)O)O	29	13	0.419999999999999984	5	10	4	97.2600000000000051	151.960000000000008	1.95999999999999996	-0.550000000000000044	-0.28999999999999998	-2.25	0.599999999999999978	-0.110000000000000001	-2.0299999999999998	3.83999999999999986	0.00940000000000000037	Soluble	-2.16999999999999993	2.75	0.00674000000000000033	Soluble	-2.77000000000000002	0.692999999999999949	0.00169999999999999991	Soluble	Low	No	No	No	No	No	No	No	-9.17999999999999972	0	0	1	1	1	0.550000000000000044
887	748.899999999999977	C40H60O13	\N	\N	1	O[C@@H]1[C@H](O[C@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@@H]1[C@@]3([C@H]2C[C@@]1(C)CC3)C(=O)O)C)C	53	0	0.900000000000000022	6	13	7	189.139999999999986	212.669999999999987	3.2200000000000002	3.75	2.83000000000000007	1.26000000000000001	1.17999999999999994	2.45000000000000018	-6.45000000000000018	0.000266000000000000015	3.54999999999999989e-07	Poorly soluble	-7.91000000000000014	9.23999999999999962e-06	1.22999999999999993e-08	Poorly soluble	-1.85000000000000009	10.5999999999999996	0.0142000000000000008	Soluble	Low	No	Yes	No	No	No	No	No	-8.21000000000000085	3	3	1	1	5	0.110000000000000001
888	1381.5	C65H104O31	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@@H]([C@@H]2O)O)O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O)C(=O)O)O[C@H]2CC[C@]3([C@@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C=C[C@@]2([C@H]3CC(C)(C)CC2)C)C)C)[C@@H]([C@H]([C@H]1O[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]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)O)O)O	96	0	0.92000000000000004	17	31	18	323.350000000000023	491.970000000000027	5.76999999999999957	-2.22999999999999998	-4.37999999999999989	-6.86000000000000032	-5.96999999999999975	-2.72999999999999998	-5.87999999999999989	0.00183000000000000003	1.32000000000000007e-06	Moderately soluble	-7.57000000000000028	3.72999999999999986e-05	2.70000000000000002e-08	Poorly soluble	4.55999999999999961	50400000	36500	Soluble	Low	No	Yes	No	No	No	No	No	-16.3099999999999987	3	4	2	1	7	0.110000000000000001
889	664.82000000000005	C36H56O11	\N	\N	1	COC(=O)[C@@]1(C)CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)C[C@H](O)[C@@H]([C@@]1(C)CO)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C(=O)O	47	0	0.890000000000000013	6	11	6	171.47999999999999	183.210000000000008	2.79999999999999982	2.41999999999999993	2.79000000000000004	1.65999999999999992	2.2799999999999998	2.39000000000000012	-5.08999999999999986	0.00540000000000000029	8.12000000000000018e-06	Moderately soluble	-5.91000000000000014	0.000818000000000000042	1.23000000000000008e-06	Moderately soluble	-2.97999999999999998	0.687999999999999945	0.00103999999999999991	Soluble	Low	No	Yes	No	No	No	No	No	-8.64000000000000057	3	3	1	1	4	0.110000000000000001
890	784.970000000000027	C41H68O14	\N	\N	1	OC[C@]12[C@@H](O)[C@H](O)C(C[C@H]2C2=CC[C@H]3[C@@]([C@@]2([C@H]([C@H]1O)O)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O[C@H]1OC[C@H]([C@H]([C@H]1O)O)O)(C)C	55	0	0.949999999999999956	5	14	10	198.330000000000013	239.219999999999999	3.37999999999999989	1.04000000000000004	0.340000000000000024	-0.729999999999999982	-0.320000000000000007	0.739999999999999991	-5.03000000000000025	0.00728999999999999961	9.29000000000000084e-06	Moderately soluble	-5.65000000000000036	0.00174000000000000001	2.21999999999999992e-06	Moderately soluble	-0.660000000000000031	170	0.216999999999999998	Soluble	Low	No	Yes	No	No	No	No	No	-10.3499999999999996	3	3	1	1	4	0.170000000000000012
891	1105.25999999999999	C54H88O23	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC[C@]34[C@@]2(C)C[C@H]([C@@]2([C@H]4CC(C)(C)CC2)CO3)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	77	0	0.979999999999999982	11	23	13	264.509999999999991	363.129999999999995	2.43999999999999995	1.09000000000000008	-1.22999999999999998	-3.52000000000000002	-2.4700000000000002	-0.739999999999999991	-6.65000000000000036	0.000246000000000000016	2.22000000000000003e-07	Poorly soluble	-8.3100000000000005	5.43999999999999958e-06	4.92000000000000038e-09	Poorly soluble	1.12999999999999989	14800	13.4000000000000004	Soluble	Low	No	Yes	No	No	No	No	No	-12.2699999999999996	3	4	2	1	5	0.110000000000000001
893	486.680000000000007	C30H46O5	\N	\N	1	O=C[C@]1(C)[C@@H](O)CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@@H](O)[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C	35	0	0.869999999999999996	2	5	3	138.02000000000001	94.8299999999999983	2.85999999999999988	6.07000000000000028	5.37999999999999989	4.04000000000000004	4.66000000000000014	4.59999999999999964	-6.54999999999999982	0.000136999999999999996	2.82000000000000011e-07	Poorly soluble	-7.83999999999999986	7.0099999999999998e-06	1.43999999999999999e-08	Poorly soluble	-4.84999999999999964	0.00693999999999999999	1.43000000000000003e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-4.95999999999999996	0	3	0	0	1	0.560000000000000053
894	1184.31999999999994	C54H87O26S	\N	\N	1	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CC[C@@]5(C(=CC[C@H]6[C@@]5(C)CC[C@@H]5[C@]6(C)CC[C@@H](C5(C)C)OS(=O)(=O)[O-])[C@@H]4CC(CC3)(C)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O	81	0	0.939999999999999947	15	26	13	274.379999999999995	428.70999999999998	2.43999999999999995	-0.589999999999999969	-1.46999999999999997	-3.89000000000000012	-4.00999999999999979	-1.5	-5.82000000000000028	0.00178999999999999992	1.50999999999999994e-06	Moderately soluble	-7.94000000000000039	1.34999999999999995e-05	1.13999999999999995e-08	Poorly soluble	1.79000000000000004	72400	61.1000000000000014	Soluble	Low	No	Yes	No	No	No	No	No	-13.9399999999999995	3	4	2	1	5	0.110000000000000001
896	780.980000000000018	C42H68O13	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@H]([C@@H]2O)C)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3C=C[C@]34[C@@]2(C)C[C@@H]([C@@]2([C@@H]4CC(C)(C)CC2)CO3)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	55	0	0.949999999999999956	6	13	8	199.819999999999993	207.990000000000009	4.45000000000000018	2.52000000000000002	1.78000000000000003	0.179999999999999993	1.1399999999999999	2.00999999999999979	-5.87000000000000011	0.00103999999999999991	1.34000000000000009e-06	Moderately soluble	-6.53000000000000025	0.000228000000000000013	2.92000000000000021e-07	Poorly soluble	-2.08000000000000007	6.5	0.00831999999999999927	Soluble	Low	No	Yes	No	No	No	No	No	-9.26999999999999957	3	3	1	1	5	0.170000000000000012
897	927.120000000000005	C48H78O17	\N	\N	1	OC[C@@H]1O[C@@H](OC[C@H]2O[C@H](O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]3([C@@H]4C=CC4=C5CC(C)(C)CC[C@@]5([C@@H](C[C@@]34C)O)CO)C)C)[C@@H]([C@@H]([C@@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@@H]([C@@H]2O)O)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O	65	0	0.92000000000000004	9	17	11	232.719999999999999	277.910000000000025	4.41999999999999993	1.6100000000000001	0.530000000000000027	-1.48999999999999999	-0.23000000000000001	0.969999999999999973	-6.00999999999999979	0.000908999999999999977	9.8100000000000001e-07	Poorly soluble	-7.05999999999999961	8.11000000000000062e-05	8.7499999999999996e-08	Poorly soluble	-0.819999999999999951	141	0.151999999999999996	Soluble	Low	No	Yes	No	No	No	No	No	-10.8100000000000005	3	3	1	1	5	0.170000000000000012
898	1968	C87H138O49	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]([C@@H]2O)O[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)O[C@@H]2[C@@H](O)[C@@H](O[C@@H]([C@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@@]2(C)C=O)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@H](C)[C@@H]([C@@H]([C@H]2O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O)O[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)C)C)[C@@H]([C@H]([C@H]1O)O)O	136	0	0.939999999999999947	26	49	26	439.5	761.789999999999964	3.47999999999999998	-8.63000000000000078	-10.8200000000000003	-13.6099999999999994	-12.5500000000000007	-8.41999999999999993	-4.88999999999999968	0.025399999999999999	1.29000000000000002e-05	Moderately soluble	-6.58999999999999986	0.000501999999999999951	2.54999999999999994e-07	Poorly soluble	10.7599999999999998	114000000000000	58100000000	Soluble	Low	No	Yes	No	No	No	No	No	-24.4299999999999997	3	4	2	1	7	0.110000000000000001
899	1457.55999999999995	C70H104O32	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@H]2[C@H](C)O[C@H]([C@@H]([C@@H]2O)O)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@@H]2O)OC(=O)/C=C/c2ccc(c(c2)OC)OC)C)OC(=O)[C@]23CC[C@@]4(C(=CC[C@H]5[C@@]4(C)CC[C@@H]4[C@]5(C)C[C@@H]([C@@H]([C@@]4(C)C(=O)O)O[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)O)[C@@H]3CC(CC2)(C)C)CO)[C@@H]([C@H]([C@H]1O)O)O	102	6	0.810000000000000053	21	32	16	346.300000000000011	494.879999999999995	4.33999999999999986	-0.709999999999999964	-2.33999999999999986	-5.50999999999999979	-2.93999999999999995	-1.42999999999999994	-7.08999999999999986	0.000119000000000000006	8.18000000000000046e-08	Poorly soluble	-9.21000000000000085	9.05000000000000017e-07	6.21000000000000027e-10	Poorly soluble	1.34000000000000008	31900	21.8999999999999986	Soluble	Low	No	Yes	No	No	No	No	No	-15.6999999999999993	3	4	2	1	6	0.110000000000000001
901	1269.38000000000011	C59H96O29	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)[C@H]([C@H]2O[C@H]2OC[C@H]([C@H]([C@H]2O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)O)O)C)C)C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O	88	0	0.949999999999999956	15	29	18	294.930000000000007	473.509999999999991	3.54999999999999982	-2.41000000000000014	-5.05999999999999961	-6.66000000000000014	-5.83000000000000007	-3.2799999999999998	-5.20000000000000018	0.00797999999999999925	6.28000000000000001e-06	Moderately soluble	-6.99000000000000021	0.000128999999999999991	1.01000000000000004e-07	Poorly soluble	4.42999999999999972	34200000	27000	Soluble	Low	No	Yes	No	No	No	No	No	-15.75	3	4	2	1	6	0.110000000000000001
902	943.120000000000005	C48H78O18	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@@H]([C@H]([C@@H]2O)O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)C[C@H]2O)C)C)C)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)O)O	66	0	0.939999999999999947	9	18	11	233.800000000000011	294.980000000000018	4.37999999999999989	2.37000000000000011	0.699999999999999956	-1.39999999999999991	-0.660000000000000031	1.08000000000000007	-6.58999999999999986	0.000243999999999999995	2.58999999999999977e-07	Poorly soluble	-8.21000000000000085	5.87999999999999961e-06	6.23999999999999996e-09	Poorly soluble	-0.349999999999999978	418	0.444000000000000006	Soluble	Low	No	Yes	No	No	No	No	No	-10.3699999999999992	3	3	1	1	5	0.110000000000000001
903	794.970000000000027	C42H66O14	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]([C@H]2O)C(=O)O)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	56	0	0.900000000000000022	7	14	8	202.030000000000001	232.900000000000006	3.04999999999999982	4.54999999999999982	2.9700000000000002	0.849999999999999978	1.26000000000000001	2.54000000000000004	-7.16999999999999993	5.33000000000000013e-05	6.70999999999999987e-08	Poorly soluble	-9.16000000000000014	5.4499999999999997e-07	6.86000000000000009e-10	Poorly soluble	-2	7.96999999999999975	0.0100000000000000002	Soluble	Low	No	Yes	No	No	No	No	No	-7.91999999999999993	3	3	1	1	4	0.110000000000000001
904	799	C42H70O14	\N	\N	1	OC[C@@H]1O[C@@H](OC[C@]2(C)[C@H](CC[C@]34[C@H]2CC[C@H]2[C@@]4(C3)CC[C@]3([C@@]2(C)C[C@@H]([C@@H]3[C@@H]([C@H](CC=C(C)C)O)C)O)C)O[C@H]2O[C@@H](CO)[C@H]([C@@H]([C@@H]2O)O)O)[C@H]([C@@H]([C@@H]1O)O)O	56	0	0.949999999999999956	11	14	10	203.389999999999986	239.219999999999999	3.29999999999999982	2.85999999999999988	0.729999999999999982	-0.569999999999999951	1.19999999999999996	1.5	-5.87000000000000011	0.00108000000000000001	1.34999999999999999e-06	Moderately soluble	-7.54000000000000004	2.2900000000000001e-05	2.86999999999999989e-08	Poorly soluble	-0.869999999999999996	107	0.134000000000000008	Soluble	Low	No	Yes	No	No	No	No	No	-9.14000000000000057	3	3	2	1	4	0.170000000000000012
905	1233.34999999999991	C59H92O27	\N	\N	1	OC[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@H]3OC[C@@H]([C@H]([C@H]3O[C@H]3OC[C@H]([C@H]([C@@H]3O)O)O)O)O)[C@H](O[C@@H]([C@H]2O)C(=O)O)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)[C@H]([C@@H]2OC(=O)C)OC(=O)/C(=C\\C)/C)CO)O)C)C)[C@@H]([C@H]([C@H]1O)O)O	86	0	0.880000000000000004	17	27	14	292.319999999999993	426.730000000000018	4.37000000000000011	-0.239999999999999991	-2.2200000000000002	-4.33000000000000007	-2.70000000000000018	-1.02000000000000002	-6.20999999999999996	0.000754000000000000004	6.12000000000000027e-07	Poorly soluble	-8.25999999999999979	6.72000000000000003e-06	5.45e-09	Poorly soluble	1.93999999999999995	107000	86.9000000000000057	Soluble	Low	No	Yes	No	No	No	No	No	-13.9900000000000002	3	4	2	1	6	0.110000000000000001
906	1319.43000000000006	C63H98O29	\N	\N	1	OC[C@@H]1O[C@@H]2O[C@H]3[C@@H](O)C[C@@]4([C@H]([C@]3(C)CO)CC[C@@]3([C@@H]4CC=C4[C@@]3(C)CC[C@@]3([C@H]4CC(C)(C)CC3)C(=O)O[C@@H]3OC[C@@H]([C@@H]([C@H]3O[C@@H]3O[C@H]([C@H](OC(=O)C[C@](CC(=O)O[C@H]4CO[C@@H](O[C@H]2[C@H]([C@@H]1O)O)[C@@H](O)[C@H]4O)(C)O)[C@@H](O[C@H]1OC[C@H]([C@H]([C@@H]1O)O)O)[C@H]3O)C)O)O)C)C	92	0	0.92000000000000004	4	29	14	309.589999999999975	445.189999999999998	5.08999999999999986	-1.83000000000000007	-2.68000000000000016	-5.04999999999999982	-4.28000000000000025	-1.75	-6.59999999999999964	0.000328999999999999974	2.49000000000000019e-07	Poorly soluble	-7	0.00013200000000000001	9.96999999999999994e-08	Poorly soluble	1.1100000000000001	17000	12.9000000000000004	Soluble	Low	No	Yes	No	No	No	No	No	-15.6500000000000004	3	4	1	1	5	0.170000000000000012
908	1237.38000000000011	C59H96O27	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2[C@@H](O)C[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)C[C@H]([C@@]2([C@H]3CC(C)(C)CC2)C(=O)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@@H]2O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@@H]2O)O)O[C@@H]2OC[C@@H]([C@H]([C@@H]2O)O[C@@H]2O[C@@H](C)[C@@H]([C@@H]([C@@H]2O)O)O)O)O)O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	86	0	0.949999999999999956	13	27	16	292.189999999999998	433.050000000000011	4.58999999999999986	-1.92999999999999994	-3.58000000000000007	-5.28000000000000025	-4.63999999999999968	-2.16999999999999993	-5.44000000000000039	0.00451999999999999971	3.65000000000000021e-06	Moderately soluble	-6.63999999999999968	0.000282000000000000024	2.28000000000000003e-07	Poorly soluble	3.25	2220000	1790	Soluble	Low	No	Yes	No	No	No	No	No	-15.2200000000000006	3	4	2	1	5	0.170000000000000012
909	824.990000000000009	C43H68O15	\N	\N	1	OC[C@H]1O[C@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3C[C@](C)(CC2)C(=O)OC)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)O	58	0	0.910000000000000031	9	15	8	207.509999999999991	242.129999999999995	3.93000000000000016	2.41000000000000014	2.04000000000000004	0.280000000000000027	1.22999999999999998	1.97999999999999998	-5.87999999999999989	0.00109000000000000004	1.32000000000000007e-06	Moderately soluble	-7.13999999999999968	6.01999999999999996e-05	7.30000000000000052e-08	Poorly soluble	-2.10000000000000009	6.61000000000000032	0.00801999999999999935	Soluble	Low	No	Yes	No	No	No	No	No	-9.61999999999999922	3	3	1	1	4	0.110000000000000001
910	981.169999999999959	C51H80O18	\N	\N	1	CC(=C[C@@H]1O[C@@]23OC[C@@]4(C2)[C@@H]([C@H]3[C@@](C1)(C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)O)CC[C@H]1[C@@]4(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O[C@H]1OC[C@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)O)O)C	69	0	0.92000000000000004	11	18	6	245.030000000000001	247.819999999999993	5.62999999999999989	3.70000000000000018	3.16000000000000014	0.190000000000000002	1.72999999999999998	2.87999999999999989	-7.53000000000000025	2.90999999999999992e-05	2.96000000000000004e-08	Poorly soluble	-8.58999999999999986	2.48999999999999988e-06	2.53999999999999991e-09	Poorly soluble	-2.47999999999999998	3.2799999999999998	0.00334000000000000009	Soluble	Low	No	No	No	No	No	No	No	-9.66000000000000014	3	3	2	1	5	0.170000000000000012
911	270.279999999999973	C16H14O4	\N	\N	1	COc1cc(O)ccc1c1cc2c(o1)cc(cc2)OC	20	15	0.119999999999999996	3	4	1	76.6599999999999966	51.8299999999999983	2.81000000000000005	3.56999999999999984	3.81999999999999984	1.70999999999999996	3.49000000000000021	3.08000000000000007	-4.12000000000000011	0.0204000000000000015	7.55000000000000056e-05	Moderately soluble	-4.33999999999999986	0.0122000000000000008	4.53000000000000033e-05	Moderately soluble	-5.49000000000000021	0.000885000000000000044	3.27000000000000003e-06	Moderately soluble	High	Yes	No	Yes	Yes	No	Yes	Yes	-5.41000000000000014	0	0	0	0	0	0.550000000000000044
912	394.370000000000005	C19H22O9	\N	\N	1	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1oc(CC(=O)C)cc2=O)C	28	10	0.469999999999999973	4	9	5	96.8700000000000045	157.659999999999997	1.66999999999999993	-1.28000000000000003	-0.869999999999999996	-2.08000000000000007	1.09000000000000008	-0.299999999999999989	-1.47999999999999998	13.0999999999999996	0.0332000000000000003	Very soluble	-1.53000000000000003	11.5	0.0292999999999999997	Very soluble	-2.16999999999999993	2.64999999999999991	0.00672999999999999987	Soluble	Low	No	No	No	No	No	No	No	-9.60999999999999943	0	1	1	1	1	0.550000000000000044
913	556.519999999999982	C31H24O10	\N	\N	1	COc1cc(O)c2c(c1)c(c1c(OC)cc3c(c1OC)c(O)c1c(c3)oc(cc1=O)C)c1c(c2O)c(=O)cc(o1)C	41	28	0.160000000000000003	4	10	3	154.449999999999989	148.800000000000011	4.54000000000000004	5.99000000000000021	5.62999999999999989	0.5	6.25999999999999979	4.58999999999999986	-7.30999999999999961	2.7500000000000001e-05	4.94999999999999999e-08	Poorly soluble	-8.89000000000000057	7.13999999999999961e-07	1.27999999999999992e-09	Poorly soluble	-9.88000000000000078	7.31999999999999937e-08	1.32000000000000009e-10	Poorly soluble	Low	No	No	No	No	Yes	No	No	-5.44000000000000039	1	3	1	1	1	0.550000000000000044
915	314.45999999999998	C21H30O2	\N	\N	1	CCCCCc1cc2O[C@@](C)(CCC=C(C)C)C=Cc2c(c1)O	23	6	0.520000000000000018	7	2	1	100.340000000000003	29.4600000000000009	4.33000000000000007	6.86000000000000032	5.92999999999999972	4.30999999999999961	5.92999999999999972	5.46999999999999975	-5.83999999999999986	0.000451999999999999982	1.43999999999999998e-06	Moderately soluble	-7.29000000000000004	1.62000000000000007e-05	5.14999999999999979e-08	Poorly soluble	-5.95999999999999996	0.000342000000000000019	1.08999999999999994e-06	Moderately soluble	High	No	No	No	No	Yes	Yes	Yes	-3.35000000000000009	1	1	0	1	1	0.550000000000000044
916	316.259999999999991	C16H12O7	\N	\N	1	COc1c(O)cc2c(c1O)c(=O)cc(o2)Oc1ccc(cc1)O	23	16	0.0599999999999999978	3	7	3	81.5600000000000023	109.359999999999999	2.45000000000000018	2.74000000000000021	2.70999999999999996	0.369999999999999996	2.08000000000000007	2.06999999999999984	-3.83999999999999986	0.0453	0.000143000000000000006	Soluble	-4.69000000000000039	0.00644000000000000041	2.04000000000000012e-05	Moderately soluble	-4.25	0.0177000000000000005	5.58000000000000011e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-6.28000000000000025	0	0	0	0	0	0.550000000000000044
917	306.310000000000002	C16H18O6	\N	\N	1	COc1c2C[C@H](Oc2cc2c1c(=O)cc(o2)CO)C(O)(C)C	22	10	0.440000000000000002	3	6	2	80.0699999999999932	89.1299999999999955	2.58999999999999986	0.640000000000000013	1.21999999999999997	-0.0800000000000000017	2.7200000000000002	1.41999999999999993	-2.2799999999999998	1.60000000000000009	0.00523999999999999987	Soluble	-2.08999999999999986	2.50999999999999979	0.00817999999999999977	Soluble	-3.85999999999999988	0.0418999999999999997	0.000136999999999999996	Soluble	High	No	Yes	Yes	No	No	No	No	-7.70999999999999996	0	0	0	0	0	0.550000000000000044
918	326.389999999999986	C20H22O4	\N	\N	1	CC(=CCc1c2OC(C)(C)C=Cc2c(c2c1oc(C)cc2=O)O)C	24	10	0.349999999999999978	2	4	1	97.3100000000000023	59.6700000000000017	3.77000000000000002	4.95999999999999996	4.38999999999999968	2.33999999999999986	5.03000000000000025	4.09999999999999964	-5.16000000000000014	0.00223000000000000021	6.83999999999999973e-06	Moderately soluble	-5.95000000000000018	0.000364999999999999982	1.12000000000000008e-06	Moderately soluble	-5.53000000000000025	0.000953999999999999987	2.91999999999999999e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	Yes	-4.76999999999999957	0	0	0	0	0	0.550000000000000044
919	260.240000000000009	C14H12O5	\N	\N	1	COc1c2c(=O)cc(oc2c(c2c1cco2)OC)C	19	13	0.209999999999999992	2	5	0	70.2099999999999937	61.8100000000000023	2.62999999999999989	2.25999999999999979	2.85999999999999988	0.340000000000000024	3.37000000000000011	2.29000000000000004	-3.25	0.145999999999999991	0.000559999999999999951	Soluble	-3.18999999999999995	0.166000000000000009	0.000639000000000000028	Soluble	-5.15000000000000036	0.00186000000000000011	7.13000000000000034e-06	Moderately soluble	High	Yes	No	Yes	No	Yes	No	Yes	-6.28000000000000025	0	0	0	0	0	0.550000000000000044
923	290.310000000000002	C16H18O5	\N	\N	1	COc1c2C[C@H](Oc2cc2c1c(=O)cc(o2)C)C(O)(C)C	21	10	0.440000000000000002	2	5	1	78.9099999999999966	68.9000000000000057	2.79000000000000004	1.8899999999999999	2.18000000000000016	0.729999999999999982	3.31999999999999984	2.18000000000000016	-3.04999999999999982	0.258000000000000007	0.000889000000000000033	Soluble	-2.95999999999999996	0.319000000000000006	0.00110000000000000007	Soluble	-4.42999999999999972	0.0108000000000000006	3.7200000000000003e-05	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	No	-6.73000000000000043	0	0	0	0	0	0.550000000000000044
924	338.439999999999998	C21H26N2O2	\N	\N	1	CC(=O)N1c2ccccc2[C@@]23[C@H]1CC[C@]14[C@@]3(OCC4)N(CC2)CCC1	25	6	0.67000000000000004	1	3	0	103.420000000000002	32.7800000000000011	3.20000000000000018	2.41000000000000014	2.29000000000000004	3.20999999999999996	2.83000000000000007	2.79000000000000004	-3.56999999999999984	0.091499999999999998	0.000270000000000000003	Soluble	-2.74000000000000021	0.614999999999999991	0.00182	Soluble	-4.44000000000000039	0.0122000000000000008	3.61000000000000033e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	Yes	-6.65000000000000036	0	0	0	0	0	0.550000000000000044
925	238.330000000000013	C16H18N2	\N	\N	1	CC1=C[C@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1	18	9	0.380000000000000004	0	1	1	79.1800000000000068	19.0300000000000011	2.43000000000000016	2.54999999999999982	2.68999999999999995	2.79000000000000004	3.24000000000000021	2.74000000000000021	-3.29000000000000004	0.120999999999999996	0.000507999999999999988	Soluble	-2.60000000000000009	0.60299999999999998	0.00253000000000000013	Soluble	-4.34999999999999964	0.0106	4.45999999999999999e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	No	-5.94000000000000039	0	0	0	0	0	0.550000000000000044
926	352.430000000000007	C21H24N2O3	\N	\N	1	COC(=O)C1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1)C	26	9	0.479999999999999982	2	4	1	103.469999999999999	54.5600000000000023	3.18000000000000016	2.75	2.4700000000000002	2.12999999999999989	2.7799999999999998	2.66000000000000014	-3.87999999999999989	0.0463000000000000009	0.000131000000000000013	Soluble	-3.54999999999999982	0.0991999999999999965	0.000281	Soluble	-4.37999999999999989	0.0146999999999999995	4.16000000000000015e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-6.5	0	0	0	0	0	0.560000000000000053
928	348.399999999999977	C21H20N2O3	\N	\N	1	COC(=O)C1=CO[C@H]([C@H]2[C@@H]1Cc1n(C2)ccc2c1nc1c2cccc1)C	26	13	0.330000000000000016	2	4	0	99.5900000000000034	53.3500000000000014	3.22999999999999998	2.58000000000000007	3.45000000000000018	2.20999999999999996	2.7799999999999998	2.85000000000000009	-3.85999999999999988	0.0476999999999999993	0.000136999999999999996	Soluble	-3.35000000000000009	0.156	0.000447999999999999993	Soluble	-4.91999999999999993	0.00413999999999999958	1.18999999999999996e-05	Moderately soluble	High	Yes	No	No	Yes	No	Yes	Yes	-6.58999999999999986	0	0	0	0	0	0.560000000000000053
929	274.269999999999982	C15H14O5	\N	\N	1	OCc1cc(=O)c2c(o1)c1C=CC(Oc1cc2O)(C)C	20	10	0.270000000000000018	1	5	2	74.7600000000000051	79.9000000000000057	2.56000000000000005	1.79000000000000004	1.90999999999999992	0.400000000000000022	2.70000000000000018	1.87000000000000011	-2.9700000000000002	0.291999999999999982	0.00106999999999999999	Soluble	-3.08999999999999986	0.225000000000000006	0.000818999999999999958	Soluble	-3.72999999999999998	0.0509999999999999967	0.000185999999999999995	Soluble	High	No	No	Yes	No	No	No	Yes	-6.70000000000000018	0	0	0	0	0	0.550000000000000044
930	290.269999999999982	C15H14O6	\N	\N	1	OC[C@@]1(O)COc2c(C=C1)c(O)c1c(c2)oc(cc1=O)C	21	10	0.270000000000000018	1	6	3	75.9200000000000017	100.129999999999995	2.25	0.939999999999999947	0.82999999999999996	-0.409999999999999976	1.94999999999999996	1.1100000000000001	-2.52000000000000002	0.880000000000000004	0.00303000000000000014	Soluble	-2.62999999999999989	0.68100000000000005	0.00235000000000000009	Soluble	-3.04000000000000004	0.264000000000000012	0.000907999999999999953	Soluble	High	No	No	No	No	No	No	No	-7.40000000000000036	0	0	0	0	0	0.550000000000000044
931	326.389999999999986	C20H22O4	\N	\N	1	OCc1cc(=O)c2c(o1)c(CC=C(C)C)c1c(c2)C=CC(O1)(C)C	24	10	0.349999999999999978	3	4	1	96.4500000000000028	59.6700000000000017	3.5299999999999998	3.52000000000000002	3.7200000000000002	2.08000000000000007	4.90000000000000036	3.54999999999999982	-4.19000000000000039	0.0210000000000000013	6.43000000000000044e-05	Moderately soluble	-4.45999999999999996	0.0114000000000000004	3.49000000000000013e-05	Moderately soluble	-5.54999999999999982	0.000917999999999999979	2.8100000000000002e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	Yes	-5.79000000000000004	0	0	0	0	0	0.550000000000000044
932	313.350000000000023	C20H15N3O	\N	\N	1	C=Cc1cncc2c1cc1c3[nH]c4c(c3CCn1c2=O)cccc4	24	19	0.100000000000000006	1	2	1	97.5	50.6799999999999997	2.49000000000000021	3.04999999999999982	3.64000000000000012	2.60000000000000009	4.57000000000000028	3.27000000000000002	-4.21999999999999975	0.0187000000000000013	5.9700000000000001e-05	Moderately soluble	-3.7799999999999998	0.0519000000000000017	0.000165999999999999996	Soluble	-6.79000000000000004	5.0500000000000001e-05	1.60999999999999999e-07	Poorly soluble	High	Yes	Yes	Yes	No	No	No	Yes	-6.04999999999999982	0	0	0	0	0	0.550000000000000044
933	366.410000000000025	C21H22N2O4	\N	\N	1	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@@]5(C1)CC(=O)O[C@H]5CCN2CC4)cccc3	27	6	0.520000000000000018	2	5	1	104.099999999999994	67.8700000000000045	2.75	1.89999999999999991	1.01000000000000001	2.20999999999999996	2.18999999999999995	2.00999999999999979	-3.33999999999999986	0.16700000000000001	0.000456000000000000025	Soluble	-2.95000000000000018	0.412999999999999978	0.00112999999999999993	Soluble	-4.51999999999999957	0.0111000000000000005	3.03000000000000013e-05	Moderately soluble	High	No	No	No	No	No	Yes	Yes	-7.19000000000000039	0	0	0	0	0	0.550000000000000044
934	336.430000000000007	C21H24N2O2	\N	\N	1	COC(=O)C1=C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3	25	9	0.479999999999999982	3	3	0	103.010000000000005	34.4699999999999989	3.43000000000000016	3.75	3.04999999999999982	2.95999999999999996	3.10000000000000009	3.25999999999999979	-4.36000000000000032	0.0148000000000000007	4.39999999999999989e-05	Moderately soluble	-4.16999999999999993	0.0229000000000000002	6.82000000000000043e-05	Moderately soluble	-4.62999999999999989	0.00787000000000000026	2.33999999999999996e-05	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	Yes	-5.69000000000000039	0	0	0	0	0	0.550000000000000044
1214	232.319999999999993	C15H20O2	\N	\N	1	CC1=CCC[C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2)C	17	0	0.67000000000000004	0	2	0	67.9500000000000028	26.3000000000000007	2.70999999999999996	3.33999999999999986	3.24000000000000021	3.35000000000000009	3.25	3.18000000000000016	-3.37999999999999989	0.0957999999999999963	0.00041300000000000001	Soluble	-3.56999999999999984	0.0626000000000000029	0.000270000000000000003	Soluble	-3.04999999999999982	0.205999999999999989	0.000885000000000000044	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.34999999999999964	0	0	0	0	0	0.550000000000000044
936	366.449999999999989	C22H26N2O3	\N	\N	1	COC(=O)[C@@H]1C[C@@]23CCCN4[C@@H]3[C@@]3([C@]1(CC2)N(C=O)c1c3cccc1)CC4	27	6	0.640000000000000013	3	4	0	108.819999999999993	49.8500000000000014	3.12000000000000011	2.33000000000000007	1.71999999999999997	3.31999999999999984	2.54999999999999982	2.60999999999999988	-3.54999999999999982	0.103999999999999995	0.000284000000000000018	Soluble	-3.02000000000000002	0.35299999999999998	0.000964000000000000013	Soluble	-4.13999999999999968	0.0264999999999999993	7.22999999999999956e-05	Moderately soluble	High	Yes	No	No	Yes	No	Yes	Yes	-6.87999999999999989	0	0	0	0	0	0.550000000000000044
937	354.490000000000009	C22H30N2O2	\N	\N	1	CC[C@@]12CCCN3[C@H]2[C@]2([C@@H](CC1)N(c1c2cccc1OC)C(=O)C)CC3	26	6	0.680000000000000049	3	3	0	110.900000000000006	32.7800000000000011	3.29000000000000004	3.37000000000000011	2.95999999999999996	3.29000000000000004	3.29999999999999982	3.24000000000000021	-4.12999999999999989	0.0261000000000000017	7.34999999999999976e-05	Moderately soluble	-3.74000000000000021	0.0650000000000000022	0.000183000000000000003	Soluble	-4.83999999999999986	0.00512000000000000042	1.45000000000000001e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-6.07000000000000028	0	0	0	0	0	0.550000000000000044
938	286.279999999999973	C16H14O5	\N	\N	1	COc1cc(O)c2c(c1C)cc1c(c2O)c(=O)cc(o1)C	21	14	0.190000000000000002	1	5	2	80.4599999999999937	79.9000000000000057	3	3.35000000000000009	2.97999999999999998	0.810000000000000053	3.49000000000000021	2.7200000000000002	-4.15000000000000036	0.0200999999999999998	7.03000000000000012e-05	Moderately soluble	-4.70999999999999996	0.00564000000000000005	1.97000000000000011e-05	Moderately soluble	-5.03000000000000025	0.00265000000000000001	9.24999999999999953e-06	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.66999999999999993	0	0	0	0	0	0.550000000000000044
939	368.430000000000007	C21H24N2O4	\N	\N	1	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@](C1)(CC(=O)CN2CC4)[C@@H](O)C)cccc3	27	6	0.520000000000000018	3	5	2	106.290000000000006	78.8700000000000045	2.54999999999999982	1.39999999999999991	0.640000000000000013	1.39999999999999991	2.22999999999999998	1.6399999999999999	-2.9700000000000002	0.392000000000000015	0.00105999999999999996	Soluble	-2.66000000000000014	0.80600000000000005	0.00219000000000000011	Soluble	-4.32000000000000028	0.0177999999999999999	4.81999999999999993e-05	Moderately soluble	High	No	Yes	No	No	No	Yes	No	-7.54999999999999982	0	0	0	0	0	0.550000000000000044
940	408.449999999999989	C23H24N2O5	\N	\N	1	COC(=O)C1=CO[C@H]([C@H]2[C@@H]1Cc1n(C2)ccc2c1nc1c2cc(c(c1)OC)OC)C	30	13	0.390000000000000013	4	6	0	112.569999999999993	71.8100000000000023	3.89000000000000012	2.5299999999999998	3.4700000000000002	1.56000000000000005	2.89000000000000012	2.87000000000000011	-4.01999999999999957	0.0386999999999999983	9.49000000000000028e-05	Moderately soluble	-3.68000000000000016	0.0844000000000000028	0.00020699999999999999	Soluble	-5.12999999999999989	0.00300000000000000006	7.34999999999999993e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	Yes	Yes	-7	0	0	0	0	0	0.560000000000000053
941	272.25	C15H12O5	\N	\N	1	COc1cc2cc3oc(C)cc(=O)c3c(c2c(c1)O)O	20	14	0.130000000000000004	1	5	2	75.4899999999999949	79.9000000000000057	2.85000000000000009	2.97999999999999998	2.66999999999999993	0.560000000000000053	2.97999999999999998	2.41000000000000014	-3.85999999999999988	0.0378000000000000003	0.000138999999999999991	Soluble	-4.32000000000000028	0.0129999999999999994	4.77000000000000007e-05	Moderately soluble	-4.65000000000000036	0.00606999999999999987	2.22999999999999999e-05	Moderately soluble	High	No	No	Yes	No	Yes	Yes	Yes	-5.83999999999999986	0	0	0	0	0	0.550000000000000044
943	230.219999999999999	C13H10O4	\N	\N	1	COc1c2c(=O)cc(oc2cc2c1cco2)C	17	13	0.149999999999999994	1	4	0	63.7100000000000009	52.5799999999999983	2.43999999999999995	2.29000000000000004	2.85999999999999988	0.630000000000000004	3.35000000000000009	2.31999999999999984	-3.20999999999999996	0.141999999999999987	0.000617000000000000035	Soluble	-3.0299999999999998	0.213999999999999996	0.000930000000000000054	Soluble	-5.01999999999999957	0.00218000000000000008	9.48000000000000071e-06	Moderately soluble	High	Yes	No	Yes	No	No	No	Yes	-6.08000000000000007	0	0	0	0	0	0.550000000000000044
944	270.279999999999973	C16H14O4	\N	\N	1	CC(=CCc1c2ccc(=O)oc2c(c2c1cco2)O)C	20	13	0.190000000000000002	2	4	1	78	63.5799999999999983	2.62000000000000011	3.87999999999999989	3.75	2.14000000000000012	3.9700000000000002	3.27000000000000002	-4.30999999999999961	0.0132999999999999993	4.91000000000000008e-05	Moderately soluble	-4.91000000000000014	0.00329999999999999998	1.22000000000000001e-05	Moderately soluble	-5.20000000000000018	0.00172999999999999998	6.3799999999999999e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	No	-5.19000000000000039	0	0	0	0	0	0.550000000000000044
945	240.340000000000003	C16H20N2	\N	\N	1	CC(=C[C@H]1N(C)CCc2c1[nH]c1c2cccc1)C	18	9	0.380000000000000004	1	1	1	81.2999999999999972	19.0300000000000011	2.93999999999999995	3.66000000000000014	2.95999999999999996	2.79000000000000004	3.68000000000000016	3.20999999999999996	-3.93999999999999995	0.0275999999999999995	0.000115000000000000003	Soluble	-3.75	0.0429000000000000006	0.00017799999999999999	Soluble	-4.48000000000000043	0.00800999999999999976	3.3300000000000003e-05	Moderately soluble	High	Yes	No	Yes	No	No	Yes	No	-5.16999999999999993	0	0	0	0	0	0.550000000000000044
946	460.470000000000027	C24H28O9	\N	\N	1	CC(=O)OC[C@@]12[C@@H](OC(=O)C)C(=O)[C@H]([C@@]3([C@H]1CCC[C@@]12CO1)C[C@H](OC3=O)c1cocc1)C	33	5	0.67000000000000004	6	9	0	111.209999999999994	121.640000000000001	2.4700000000000002	1.47999999999999998	2.20000000000000018	0.989999999999999991	3.29000000000000004	2.08999999999999986	-3.33999999999999986	0.208999999999999991	0.000453000000000000006	Soluble	-3.64000000000000012	0.104999999999999996	0.000228000000000000013	Soluble	-4.59999999999999964	0.0114999999999999998	2.51000000000000002e-05	Moderately soluble	High	No	No	No	No	No	No	No	-8.0600000000000005	0	0	0	0	0	0.550000000000000044
947	382.490000000000009	C24H30O4	\N	\N	1	C/C(=C\\Cc1c(=O)oc2c(c1O)ccc(c2)O)/CC/C=C(/CCC=C(C)C)\\C	28	10	0.380000000000000004	8	4	2	117.370000000000005	70.6700000000000017	4.33999999999999986	6.57000000000000028	6.16999999999999993	3.95000000000000018	6.37000000000000011	5.48000000000000043	-6.08999999999999986	0.000313000000000000019	8.19000000000000015e-07	Poorly soluble	-7.84999999999999964	5.37000000000000025e-06	1.39999999999999996e-08	Poorly soluble	-6.24000000000000021	0.000220000000000000008	5.75e-07	Poorly soluble	High	No	No	No	No	Yes	No	Yes	-3.9700000000000002	0	1	0	1	1	0.550000000000000044
948	304.470000000000027	C20H32O2	\N	\N	1	C[C@@H]([C@@H]1CCC(=C2[C@H]([C@@H]1O)C(=CC2)C)C)CC[C@@H]1OC1(C)C	22	0	0.800000000000000044	4	2	1	93.25	32.759999999999998	4.05999999999999961	3.18999999999999995	4.62999999999999989	3.81999999999999984	4.70999999999999996	4.08000000000000007	-3.4700000000000002	0.101999999999999993	0.000335999999999999981	Soluble	-3.54999999999999982	0.0859000000000000041	0.000282000000000000024	Soluble	-3.93999999999999995	0.0347999999999999976	0.000114000000000000006	Soluble	High	Yes	No	No	Yes	No	Yes	No	-5.88999999999999968	0	0	0	0	0	0.550000000000000044
949	434.519999999999982	C24H34O7	\N	\N	1	CC(=O)OC[C@@]12[C@@H](OC(=O)C)C[C@H]([C@]([C@H]1CCC[C@@]12CO1)(C)CCC1=CC(=O)OC1)C	31	0	0.790000000000000036	8	7	0	113.010000000000005	91.4300000000000068	3.24000000000000021	2.91000000000000014	3.35000000000000009	2.77000000000000002	4.41999999999999993	3.33999999999999986	-3.83999999999999986	0.0628999999999999976	0.000145000000000000001	Soluble	-4.49000000000000021	0.0140000000000000003	3.22999999999999991e-05	Moderately soluble	-4.45999999999999996	0.0149	3.43000000000000002e-05	Moderately soluble	High	No	No	No	No	No	No	Yes	-6.87999999999999989	0	0	0	0	0	0.550000000000000044
951	186.159999999999997	C11H6O3	\N	\N	1	O=c1ccc2c(o1)c1ccoc1cc2	14	13	0	0	3	0	52.259999999999998	43.3500000000000014	2.0299999999999998	2.08000000000000007	2.54000000000000004	1.47999999999999998	2.91000000000000014	2.20999999999999996	-2.99000000000000021	0.190000000000000002	0.00102000000000000007	Soluble	-2.62000000000000011	0.447000000000000008	0.00239999999999999979	Soluble	-4.5	0.00587000000000000022	3.16000000000000024e-05	Moderately soluble	High	Yes	No	Yes	No	No	No	No	-5.95999999999999996	0	0	0	0	1	0.550000000000000044
952	346.370000000000005	C19H22O6	\N	\N	1	OC(=O)[C@@H]1C2=C[C@H]3CC[C@]2([C@@]24[C@H]1[C@@](C)([C@@H](O)CC2)C(=O)O4)[C@H](C3=C)O	25	0	0.680000000000000049	1	6	3	86.8299999999999983	104.060000000000002	2.14000000000000012	0.0500000000000000028	1.03000000000000003	1.65999999999999992	1.31000000000000005	1.23999999999999999	-1.94999999999999996	3.85999999999999988	0.0111000000000000005	Very soluble	-1.79000000000000004	5.63999999999999968	0.0162999999999999985	Very soluble	-1.45999999999999996	11.9000000000000004	0.0344	Soluble	High	No	Yes	No	No	No	No	No	-8.38000000000000078	0	0	0	0	0	0.560000000000000053
953	408.529999999999973	C23H36O6	\N	\N	1	CCC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H](C3=C)C[C@@H](C1(C)C)O)O)C[C@@]2(C)O	29	0	0.869999999999999996	3	6	4	109.230000000000004	107.219999999999999	2.79000000000000004	1.3899999999999999	1.92999999999999994	1.91999999999999993	2.20000000000000018	2.04999999999999982	-3.04999999999999982	0.36399999999999999	0.000889999999999999949	Soluble	-3.25	0.232000000000000012	0.000568999999999999953	Soluble	-2.5299999999999998	1.19999999999999996	0.00293999999999999991	Soluble	High	No	Yes	No	No	No	No	No	-7.80999999999999961	0	0	0	0	0	0.550000000000000044
954	724.789999999999964	C30H44O16S2	\N	\N	1	OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)[C@@H]3[C@](C2)(C)[C@@H]2CC[C@@H]4C[C@@]2(CC3)[C@@H](O)C4=C)[C@@H]([C@H]([C@@H]1OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC(=O)CC(C)C	48	0	0.869999999999999996	12	16	3	161.849999999999994	272.139999999999986	2.7200000000000002	1.16999999999999993	3.14000000000000012	0.560000000000000053	-1.60000000000000009	1.19999999999999996	-4.28000000000000025	0.0381000000000000019	5.25999999999999978e-05	Moderately soluble	-6.48000000000000043	0.000240000000000000006	3.30999999999999986e-07	Poorly soluble	-0.640000000000000013	165	0.227000000000000007	Soluble	Low	No	Yes	No	No	No	Yes	No	-9.89000000000000057	2	3	2	1	3	0.110000000000000001
955	562.730000000000018	C32H50O8	\N	\N	1	CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3([C@H]([C@@H]1C2(C)C)[C@@H]1O[C@]1(CO)[C@H]([C@]1([C@H]3C=C(C1=O)C)O)O)O	40	0	0.880000000000000004	13	8	4	152	136.819999999999993	4.95999999999999996	5.11000000000000032	3.60999999999999988	2.02000000000000002	5.36000000000000032	4.20999999999999996	-5.69000000000000039	0.00114999999999999998	2.03999999999999995e-06	Moderately soluble	-7.73000000000000043	1.04999999999999994e-05	1.86999999999999987e-08	Poorly soluble	-5.5	0.00179999999999999995	3.19999999999999986e-06	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-6.09999999999999964	1	3	1	1	1	0.550000000000000044
956	316.430000000000007	C20H28O3	\N	\N	1	OC[C@@]1(O)C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)c2ccoc2CC1)C	23	5	0.800000000000000044	1	3	2	89.3199999999999932	53.6000000000000014	2.75999999999999979	3.2799999999999998	3.64000000000000012	2.89000000000000012	3.68000000000000016	3.25	-3.95999999999999996	0.0344	0.000109000000000000007	Soluble	-4.08000000000000007	0.0263000000000000005	8.31000000000000006e-05	Moderately soluble	-4.38999999999999968	0.0129999999999999994	4.11000000000000029e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-5.90000000000000036	0	0	0	0	0	0.550000000000000044
957	332.430000000000007	C20H28O4	\N	\N	1	O=C1C[C@H]2C(C)(C)CCC[C@@]2(C2=C1C[C@@]1(O[C@@H]1C2=O)C(O)(C)C)C	24	0	0.800000000000000044	1	4	1	91.5300000000000011	66.9000000000000057	2.81000000000000005	2.77000000000000002	2.9700000000000002	1.98999999999999999	4.09999999999999964	2.93000000000000016	-3.58000000000000007	0.0874000000000000055	0.000262999999999999996	Soluble	-3.83000000000000007	0.0490999999999999978	0.000147999999999999992	Soluble	-4.12999999999999989	0.0245000000000000009	7.36000000000000001e-05	Moderately soluble	High	Yes	Yes	No	No	No	No	No	-6.36000000000000032	0	0	0	0	0	0.550000000000000044
958	608.720000000000027	C35H44O9	\N	\N	1	CC[C@H](C(=O)OC[C@]1(C)[C@@H]2[C@@]1(OC(=O)Cc1ccccc1)C[C@H]([C@]1([C@H]2C=C(COC(=O)C)C[C@]2([C@H]1C=C(C2=O)C)O)O)C)C	44	6	0.599999999999999978	12	9	2	162.830000000000013	136.430000000000007	4.80999999999999961	3.62999999999999989	3.89000000000000012	2.93000000000000016	5.29000000000000004	4.11000000000000032	-5.20999999999999996	0.00374999999999999986	6.17000000000000022e-06	Moderately soluble	-6.17999999999999972	0.000398999999999999995	6.56000000000000051e-07	Poorly soluble	-6.57000000000000028	0.000163000000000000005	2.68000000000000018e-07	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-7.44000000000000039	1	3	1	1	1	0.550000000000000044
959	330.420000000000016	C20H26O4	\N	\N	1	O=C1O[C@H]2C[C@@H]3[C@]1(CCCC3(C)C)c1c2cc(c(c1O)O)C(C)C	24	6	0.650000000000000022	1	4	2	92.8299999999999983	66.7600000000000051	2.93000000000000016	4.37999999999999989	3.95999999999999996	3.25	4.04999999999999982	3.7200000000000002	-4.76999999999999957	0.00564999999999999964	1.70999999999999989e-05	Moderately soluble	-5.5	0.00104999999999999994	3.17000000000000014e-06	Moderately soluble	-4.45000000000000018	0.0115999999999999992	3.52000000000000018e-05	Moderately soluble	High	Yes	Yes	No	No	Yes	No	No	-5.20999999999999996	0	0	0	0	0	0.550000000000000044
960	492.560000000000002	C26H36O9	\N	\N	1	CC(=O)OC[C@@]12[C@@H](OC(=O)C)C[C@H]([C@]([C@H]1CC[C@H]([C@@]12CO1)OC(=O)C)(C)[C@H]1O[C@H]2[C@@H](C1)C=CO2)C	35	0	0.810000000000000053	8	9	0	122.680000000000007	109.890000000000001	3.06000000000000005	2.56000000000000005	2.89999999999999991	2.02000000000000002	2.83000000000000007	2.66999999999999993	-3.97999999999999998	0.0517000000000000029	0.000105000000000000004	Soluble	-4.51999999999999957	0.0149999999999999994	3.04999999999999994e-05	Moderately soluble	-2.93000000000000016	0.574999999999999956	0.00117000000000000003	Soluble	High	No	No	No	No	No	No	No	-7.49000000000000021	0	2	0	0	0	0.550000000000000044
961	408.490000000000009	C22H32O7	\N	\N	1	O=C[C@]1(C[C@H](c2cocc2)O)[C@H](C)[C@H](OC(=O)C)C[C@@]2([C@@H]1CC[C@H]([C@]2(C)O)O)C	29	5	0.729999999999999982	6	7	3	105.650000000000006	117.200000000000003	2.60000000000000009	1.01000000000000001	2.06000000000000005	0.67000000000000004	2.56000000000000005	1.78000000000000003	-2.74000000000000021	0.741999999999999993	0.00182	Soluble	-3.06000000000000005	0.354999999999999982	0.000870000000000000005	Soluble	-3.25999999999999979	0.224000000000000005	0.000547999999999999985	Soluble	High	No	Yes	No	No	No	No	Yes	-8.07000000000000028	0	0	0	0	0	0.550000000000000044
962	306.480000000000018	C20H34O2	\N	\N	1	C/C/1=C\\CC/C(=C\\[C@H](O)C[C@](/C=C/[C@@H](CC1)C(C)C)(C)O)/C	22	0	0.699999999999999956	1	2	2	97.0799999999999983	40.4600000000000009	3.10999999999999988	3.95999999999999996	4.78000000000000025	3.72999999999999998	3.43999999999999995	3.79999999999999982	-4.16999999999999993	0.020799999999999999	6.77999999999999946e-05	Moderately soluble	-4.50999999999999979	0.00946999999999999925	3.08999999999999989e-05	Moderately soluble	-3.16000000000000014	0.210999999999999993	0.000689000000000000051	Soluble	High	Yes	No	No	No	No	No	Yes	-5.36000000000000032	0	0	0	0	0	0.550000000000000044
963	374.379999999999995	C20H22O7	\N	\N	1	O=C1O[C@H](C[C@@]2([C@H]1CC[C@@]1([C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@@H]1[C@H]2O1)C)C)c1cocc1	27	5	0.699999999999999956	1	7	1	89.5400000000000063	98.5	2.16000000000000014	1.33000000000000007	1.41999999999999993	1.04000000000000004	2.12999999999999989	1.62000000000000011	-3.06999999999999984	0.319000000000000006	0.000850999999999999977	Soluble	-3	0.375	0.00100000000000000002	Soluble	-3.20999999999999996	0.233000000000000013	0.000622000000000000049	Soluble	High	No	Yes	No	No	No	Yes	No	-7.63999999999999968	0	0	0	0	0	0.550000000000000044
964	606.659999999999968	C31H42O12	\N	\N	1	CC[C@](C(=O)O[C@H]1[C@H](O)C[C@H]2[C@@]([C@]31CO3)(COC(=O)C)[C@@H](OC(=O)C)C=C([C@]2(C)[C@H]1O[C@H]2[C@@H](C1)C=CO2)C)(OC(=O)C)C	43	0	0.739999999999999991	12	12	1	148.72999999999999	156.419999999999987	4.75999999999999979	1.95999999999999996	2.5	1.35000000000000009	2.79000000000000004	2.66999999999999993	-4.04000000000000004	0.0548000000000000015	9.02999999999999994e-05	Moderately soluble	-4.87000000000000011	0.00818999999999999936	1.34999999999999995e-05	Moderately soluble	-2.87999999999999989	0.791000000000000036	0.00129999999999999994	Soluble	Low	No	No	No	No	No	No	Yes	-8.60999999999999943	2	3	2	1	3	0.170000000000000012
966	410.5	C22H34O7	\N	\N	1	C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](OC(=O)C)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)O)O	29	0	0.819999999999999951	3	7	3	106.700000000000003	113.290000000000006	2.75999999999999979	1	1.52000000000000002	0.810000000000000053	2.41000000000000014	1.69999999999999996	-2.81999999999999984	0.625	0.00152000000000000008	Soluble	-2.9700000000000002	0.442000000000000004	0.00108000000000000001	Soluble	-2.7799999999999998	0.675000000000000044	0.00163999999999999996	Soluble	High	No	Yes	No	No	No	No	Yes	-8.08999999999999986	0	0	0	0	0	0.550000000000000044
967	358.389999999999986	C20H22O6	\N	\N	1	O=C1O[C@@H](C[C@@]2([C@H]1CC[C@@]1([C@H]2[C@H]2C=C[C@]1(O)C(=O)O2)C)C)c1cocc1	26	5	0.599999999999999978	1	6	1	90.0999999999999943	85.9699999999999989	2.20000000000000018	2.16000000000000014	2.20999999999999996	1.76000000000000001	2.29000000000000004	2.12000000000000011	-3.5	0.114000000000000004	0.000317000000000000007	Soluble	-3.60000000000000009	0.0903999999999999942	0.000252	Soluble	-3.47999999999999998	0.118999999999999995	0.000333000000000000017	Soluble	High	No	Yes	No	No	No	No	No	-6.95000000000000018	0	0	0	0	0	0.550000000000000044
968	626.779999999999973	C33H54O11	\N	\N	1	COC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](C)[C@@H]3CC[C@](C3=C[C@@]3(C2=C(CC3)C(C)C)C)(O)COC)[C@@H]([C@H]([C@@H]1O[C@@]([C@@H]1CO1)(CO)C)O)O	44	0	0.880000000000000004	11	11	5	161.360000000000014	159.830000000000013	4.04000000000000004	-0.489999999999999991	1.47999999999999998	-0.409999999999999976	2.33000000000000007	1.3899999999999999	-2.68999999999999995	1.28000000000000003	0.00204000000000000015	Soluble	-2.39999999999999991	2.5	0.00398999999999999962	Soluble	-2.35000000000000009	2.79999999999999982	0.00447000000000000001	Soluble	Low	No	No	No	No	No	No	No	-10.4700000000000006	2	3	2	1	3	0.170000000000000012
969	482.519999999999982	C27H30O8	\N	\N	1	OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H](C[C@@]3(O4)C(=C)C)C)c1ccccc1	35	6	0.589999999999999969	3	8	3	121.980000000000004	117.980000000000004	3.45999999999999996	1.47999999999999998	1.21999999999999997	1.07000000000000006	2.58999999999999986	1.95999999999999996	-3.68999999999999995	0.0979000000000000009	0.000203000000000000001	Soluble	-3.56000000000000005	0.132000000000000006	0.000273000000000000022	Soluble	-3.83000000000000007	0.0711999999999999994	0.000147999999999999992	Soluble	High	No	Yes	No	Yes	No	Yes	No	-8.1899999999999995	0	1	0	0	0	0.550000000000000044
970	332.430000000000007	C20H28O4	\N	\N	1	O[C@H]1C[C@@H]2[C@]3(C[C@@H]1C(=C)C3)[C@@H](O)[C@H]1[C@H]3[C@@]2(C)CCC[C@@]3(C)C(=O)O1	24	0	0.849999999999999978	0	4	2	90.0400000000000063	66.7600000000000051	2.52000000000000002	2.35999999999999988	2.43000000000000016	2.89999999999999991	2.64000000000000012	2.56999999999999984	-3.39000000000000012	0.13600000000000001	0.000409000000000000021	Soluble	-3.39999999999999991	0.132000000000000006	0.000395999999999999976	Soluble	-2.7799999999999998	0.548000000000000043	0.00164999999999999999	Soluble	High	Yes	Yes	No	No	No	No	No	-6.65000000000000036	0	0	0	0	0	0.550000000000000044
972	394.45999999999998	C23H26N2O4	\N	\N	1	COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2	29	6	0.609999999999999987	2	5	0	114.040000000000006	51.240000000000002	3.25	0.979999999999999982	1.35000000000000009	2.04000000000000004	1.84000000000000008	1.8899999999999999	-2.91999999999999993	0.469999999999999973	0.00119000000000000009	Soluble	-1.6399999999999999	8.94999999999999929	0.0227000000000000014	Very soluble	-3.60999999999999988	0.0966000000000000053	0.000244999999999999992	Soluble	High	Yes	No	No	No	No	Yes	No	-8.00999999999999979	0	0	0	0	0	0.550000000000000044
973	474.589999999999975	C27H38O7	\N	\N	1	CC[C@H](C(=O)O[C@@]12C[C@@H](C)[C@]3([C@H]([C@@H]1C2(C)C)C=C(COC(=O)C)C[C@]1([C@H]3C=C(C1=O)C)O)O)C	34	0	0.739999999999999991	7	7	2	127.450000000000003	110.129999999999995	3.97999999999999998	2.68000000000000016	3.12999999999999989	2.47999999999999998	3.83000000000000007	3.2200000000000002	-4.00999999999999979	0.0464999999999999997	9.79999999999999968e-05	Moderately soluble	-4.63999999999999968	0.0106999999999999994	2.26000000000000005e-05	Moderately soluble	-4.11000000000000032	0.0369999999999999982	7.79999999999999986e-05	Moderately soluble	High	No	Yes	No	No	No	No	Yes	-7.29000000000000004	0	1	0	0	0	0.550000000000000044
974	336.470000000000027	C20H32O4	\N	\N	1	OC[C@@]1(O)C[C@@]23C[C@H]1CC[C@H]3[C@]1([C@H](CC2)[C@@](C)(CCC1)C(=O)O)C	24	0	0.949999999999999956	2	4	3	93.1500000000000057	77.7600000000000051	2.33999999999999986	3.39999999999999991	3.20999999999999996	3.00999999999999979	2.93999999999999995	2.97999999999999998	-3.93999999999999995	0.0389999999999999999	0.000116000000000000001	Soluble	-4.70999999999999996	0.00653000000000000021	1.94000000000000006e-05	Moderately soluble	-2.95000000000000018	0.376000000000000001	0.0011199999999999999	Soluble	High	Yes	Yes	No	No	No	No	No	-5.94000000000000039	0	0	0	0	0	0.560000000000000053
975	362.420000000000016	C20H26O6	\N	\N	1	O[C@@H]1OC[C@]23[C@H]1C(C)(C)[C@H](C[C@@H]2OC(=O)[C@]12[C@H]3CC[C@H](C1)C(=C)C2=O)O	26	0	0.800000000000000044	0	6	2	91.3199999999999932	93.0600000000000023	1.43999999999999995	1.84000000000000008	1.19999999999999996	1.57000000000000006	1.92999999999999994	1.60000000000000009	-3.25	0.205999999999999989	0.000567000000000000013	Soluble	-3.41000000000000014	0.139000000000000012	0.00038499999999999998	Soluble	-2.39000000000000012	1.46999999999999997	0.00406000000000000024	Soluble	High	No	Yes	No	No	No	No	No	-7.20000000000000018	0	0	0	0	0	0.550000000000000044
976	538.669999999999959	C32H42O7	\N	\N	1	CCC/C=C/C=C/C=C\\C(=O)O[C@@]12[C@H](OC(=O)C)[C@@H](C)[C@]3([C@H]([C@@H]1C2(C)C)C=C(CO)C[C@H]1[C@H]3C=C(C1=O)C)O	39	0	0.589999999999999969	10	7	2	150.02000000000001	110.129999999999995	4.94000000000000039	4.15000000000000036	4.41000000000000014	3.20999999999999996	5.16000000000000014	4.37000000000000011	-5.12999999999999989	0.00395000000000000039	7.34000000000000003e-06	Moderately soluble	-6.16999999999999993	0.000364000000000000011	6.74999999999999996e-07	Poorly soluble	-3.81999999999999984	0.0810000000000000026	0.000149999999999999987	Soluble	High	No	No	No	No	Yes	No	Yes	-6.63999999999999968	1	3	0	0	0	0.550000000000000044
977	286.449999999999989	C20H30O	\N	\N	1	CC(c1cc2CC[C@@H]3[C@](c2cc1O)(C)CCCC3(C)C)C	21	6	0.699999999999999956	1	1	1	91.6400000000000006	20.2300000000000004	3.62000000000000011	6.70999999999999996	5.54999999999999982	4.91999999999999993	5.5	5.25999999999999979	-5.99000000000000021	0.000293999999999999991	1.03000000000000009e-06	Moderately soluble	-6.94000000000000039	3.30000000000000025e-05	1.14999999999999997e-07	Poorly soluble	-5.76999999999999957	0.000491000000000000008	1.70999999999999993e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	Yes	No	-3.2799999999999998	1	0	0	0	2	0.550000000000000044
978	482.610000000000014	C26H42O8	\N	\N	1	OC[C@H]1CC[C@@H]2C1=C[C@@]1(C)CCC(=C1[C@H]([C@@H]([C@@H]2C)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C(C)C	34	0	0.849999999999999978	5	8	6	126.569999999999993	139.840000000000003	3.18000000000000016	0.46000000000000002	0.880000000000000004	0.550000000000000044	0.780000000000000027	1.16999999999999993	-2.79000000000000004	0.779000000000000026	0.0016100000000000001	Soluble	-2.9700000000000002	0.52300000000000002	0.00108000000000000001	Soluble	-0.839999999999999969	70.2000000000000028	0.145999999999999991	Soluble	High	No	Yes	No	No	No	No	No	-8.91999999999999993	1	2	0	1	1	0.550000000000000044
980	628.669999999999959	C36H36O10	\N	\N	1	OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/c1ccccc1)C)c1ccccc1	46	12	0.440000000000000002	7	10	3	162.490000000000009	144.280000000000001	4.28000000000000025	3.16000000000000014	2.35000000000000009	1.64999999999999991	3.89000000000000012	3.06000000000000005	-5.45999999999999996	0.00218000000000000008	3.46999999999999981e-06	Moderately soluble	-5.86000000000000032	0.000867000000000000041	1.37999999999999992e-06	Moderately soluble	-5.70999999999999996	0.00120999999999999992	1.93000000000000016e-06	Moderately soluble	Low	No	Yes	No	Yes	Yes	No	No	-7.88999999999999968	1	3	1	1	2	0.550000000000000044
981	648.740000000000009	C37H44O10	\N	\N	1	CCCCC/C=C/C=C/C(=O)O[C@@H]1[C@@H](C)[C@@]23O[C@]4(O[C@]1(C(=C)C)[C@@H]([C@@H]2[C@@H]1O[C@@]1([C@H]([C@]1([C@H]3C=C(C1=O)C)O)O)CO)O4)c1ccccc1	47	6	0.569999999999999951	11	10	3	170.379999999999995	144.280000000000001	4.42999999999999972	4.59999999999999964	3.43999999999999995	1.96999999999999997	5.16999999999999993	3.91999999999999993	-6.12999999999999989	0.000482000000000000007	7.43999999999999992e-07	Poorly soluble	-7.34999999999999964	2.86999999999999997e-05	4.41999999999999987e-08	Poorly soluble	-5.26999999999999957	0.00352000000000000013	5.41999999999999978e-06	Moderately soluble	Low	No	Yes	No	No	Yes	No	No	-6.99000000000000021	1	3	2	1	1	0.550000000000000044
982	360.5	C23H28N4	\N	\N	1	CN1CC[C@]2([C@@H]1Nc1c2cccc1)[C@]12CCN([C@H]1N(c1c2cccc1)C)C	27	12	0.479999999999999982	1	2	1	123.859999999999999	21.75	3.31000000000000005	4.05999999999999961	1.35000000000000009	3.74000000000000021	2.29999999999999982	2.95000000000000018	-4.90000000000000036	0.00457999999999999987	1.27000000000000004e-05	Moderately soluble	-4.21999999999999975	0.0217000000000000005	6.00999999999999972e-05	Moderately soluble	-5.80999999999999961	0.000558000000000000011	1.54999999999999998e-06	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-5.62000000000000011	0	0	0	0	0	0.550000000000000044
983	434.389999999999986	C21H22O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3O[C@@H](CC(=O)c3c(c2)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	31	12	0.380000000000000004	4	10	6	103.689999999999998	166.139999999999986	2.35000000000000009	0.650000000000000022	-0.340000000000000024	-1.41999999999999993	-0.110000000000000001	0.23000000000000001	-2.9700000000000002	0.470999999999999974	0.00108000000000000001	Soluble	-3.70999999999999996	0.0837999999999999995	0.000193000000000000002	Soluble	-1.70999999999999996	8.55000000000000071	0.0196999999999999988	Soluble	Low	No	Yes	No	No	No	No	No	-8.49000000000000021	1	0	1	1	2	0.550000000000000044
984	652.769999999999982	C37H48O10	\N	\N	1	CCCCCCCCC[C@@]12O[C@H]3[C@](O1)(C(=C)C)[C@@H]([C@H]([C@@]1(O2)[C@H]3[C@@H]2O[C@@]2([C@H]([C@]2([C@H]1C=C(C2=O)C)O)O)CO)C)OC(=O)c1ccccc1	47	6	0.680000000000000049	13	10	3	171.710000000000008	144.280000000000001	5.08000000000000007	5.76999999999999957	4.15000000000000036	2.12000000000000011	5.53000000000000025	4.53000000000000025	-6.75999999999999979	0.000114000000000000006	1.73999999999999996e-07	Poorly soluble	-8.57000000000000028	1.76000000000000009e-06	2.70000000000000019e-09	Poorly soluble	-6.70000000000000018	0.000131000000000000013	1.99999999999999991e-07	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-6.19000000000000039	1	3	2	1	2	0.550000000000000044
985	646.720000000000027	C37H42O10	\N	\N	1	CCC/C=C/C=C/C=C/C(=O)O[C@@H]1[C@@H](C)[C@@]23O[C@]4(O[C@]1(C(=C)C)[C@@H]([C@@H]2[C@@H]1O[C@@]1([C@H]([C@]1([C@H]3C=C(C1=O)C)O)O)CO)O4)c1ccccc1	47	6	0.510000000000000009	10	10	3	169.909999999999997	144.280000000000001	4.23000000000000043	4.16000000000000014	3.20999999999999996	1.8899999999999999	4.99000000000000021	3.70000000000000018	-5.90000000000000036	0.000805000000000000051	1.23999999999999999e-06	Moderately soluble	-6.90000000000000036	8.17999999999999961e-05	1.2599999999999999e-07	Poorly soluble	-4.54999999999999982	0.0183000000000000003	2.82000000000000011e-05	Moderately soluble	Low	No	Yes	No	No	Yes	No	No	-7.29000000000000004	1	3	1	1	1	0.550000000000000044
987	346.370000000000005	C19H22O6	\N	\N	1	O=c1oc(C(C)C)c2c(c1)[C@@]1(C)[C@H]3O[C@H]3[C@@H]([C@]3([C@@H]1[C@@H](C2)OC3=O)C)O	25	6	0.680000000000000049	1	6	1	87.4500000000000028	89.269999999999996	2.31000000000000005	0.880000000000000004	1.27000000000000002	1.57000000000000006	3.02000000000000002	1.81000000000000005	-2.64999999999999991	0.769000000000000017	0.00222000000000000018	Soluble	-2.33999999999999986	1.59000000000000008	0.00457999999999999987	Soluble	-3.60000000000000009	0.0871999999999999997	0.000252	Soluble	High	No	No	No	No	No	Yes	No	-7.79000000000000004	0	0	0	0	0	0.550000000000000044
988	440.45999999999998	C20H24O9S	\N	\N	1	O=C1O[C@H]([C@](CS(=O)(=O)C)(O)C)[C@@]23C(=C1)[C@@]1(C)C[C@@H]4O[C@@H]4[C@]4([C@@H]1[C@@H]([C@H]3O2)OC4=O)C	30	0	0.800000000000000044	3	9	1	99.519999999999996	140.409999999999997	0.369999999999999996	-1.09000000000000008	0.589999999999999969	0.25	1.1100000000000001	0.239999999999999991	-1.68999999999999995	9.07000000000000028	0.0206000000000000003	Very soluble	-1.37000000000000011	18.8000000000000007	0.0427999999999999978	Very soluble	-2.06000000000000005	3.87999999999999989	0.00881000000000000012	Soluble	High	No	Yes	No	No	No	No	No	-9.75999999999999979	0	0	1	1	0	0.550000000000000044
989	336.430000000000007	C21H24N2O2	\N	\N	1	CCC1=C[C@H]2CN3[C@@H]1[C@](C2)(C(=O)OC)c1[nH]c2c(c1CC3)cccc2	25	9	0.479999999999999982	3	3	1	102.269999999999996	45.3299999999999983	3.29999999999999982	2.79999999999999982	2.79000000000000004	2.95999999999999996	3.72999999999999998	3.12000000000000011	-3.75999999999999979	0.0587000000000000022	0.000174000000000000001	Soluble	-3.41000000000000014	0.131000000000000005	0.000389999999999999993	Soluble	-5.23000000000000043	0.00200000000000000004	5.93999999999999988e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	Yes	-6.36000000000000032	0	0	0	0	0	0.550000000000000044
990	584.740000000000009	C34H48O8	\N	\N	1	CCCCCCCCC/C=C/C=C/[C@@]12O[C@H]3[C@@](O1)(C[C@H]([C@@]1(O2)[C@H]3[C@@H]2O[C@@]2([C@H]([C@]2([C@H]1C=C(C2=O)C)O)O)CO)C)C(=C)C	42	0	0.739999999999999991	12	8	3	159.189999999999998	117.980000000000004	5.16999999999999993	5.73000000000000043	4.42999999999999972	2.20999999999999996	6.12000000000000011	4.73000000000000043	-6.28000000000000025	0.000304999999999999987	5.20999999999999967e-07	Poorly soluble	-7.96999999999999975	6.19999999999999993e-06	1.06000000000000006e-08	Poorly soluble	-5	0.00589999999999999986	1.00999999999999999e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-5.79999999999999982	1	3	1	0	1	0.550000000000000044
991	413.509999999999991	C20H29O7S	\N	\N	1	O=C1O[C@H]2[C@H]3[C@]1(C)CCC[C@]3(C)[C@@]1(C(=C2)C[C@@](CC1)(C)CCOS(=O)(=O)[O-])O	28	0	0.849999999999999978	4	7	1	100.799999999999997	121.340000000000003	2.33000000000000007	1.83000000000000007	3.5299999999999998	2.29999999999999982	1.83000000000000007	2.37000000000000011	-3.29000000000000004	0.210999999999999993	0.000510000000000000037	Soluble	-4	0.0415000000000000022	0.000100000000000000005	Soluble	-3.31000000000000005	0.203999999999999987	0.000492999999999999949	Soluble	High	No	Yes	No	No	No	No	No	-7.51999999999999957	0	0	0	0	0	0.560000000000000053
992	318.449999999999989	C20H30O3	\N	\N	1	C=C[C@]1(C)C[C@H](O)[C@@]2(C(=C1)C(=O)C[C@]1([C@H]2CCCC1(C)C)O)C	23	0	0.75	1	3	2	92.75	57.5300000000000011	3.0299999999999998	3.47999999999999998	3.41000000000000014	2.85000000000000009	3.79999999999999982	3.31000000000000005	-3.93999999999999995	0.0364999999999999977	0.000115000000000000003	Soluble	-4.37000000000000011	0.0135999999999999992	4.25999999999999987e-05	Moderately soluble	-3.7200000000000002	0.0601000000000000006	0.000189000000000000013	Soluble	High	Yes	Yes	No	No	No	No	No	-5.76999999999999957	0	0	0	0	0	0.550000000000000044
993	432.509999999999991	C24H32O7	\N	\N	1	CC(=O)O[C@@H]1C[C@H](OC(=O)C)C([C@@H]2[C@]1(C)[C@@H]1[C@H](O)C[C@@H]3C[C@@]1(CC2=O)C(=O)C3=C)(C)C	31	0	0.75	4	7	1	111.900000000000006	106.969999999999999	1.94999999999999996	1.76000000000000001	2.39000000000000012	1.87000000000000011	3.08999999999999986	2.20999999999999996	-3.37000000000000011	0.185999999999999999	0.000429999999999999989	Soluble	-3.62000000000000011	0.102999999999999994	0.000238000000000000012	Soluble	-3.68999999999999995	0.0873000000000000026	0.000202000000000000004	Soluble	High	No	Yes	No	No	No	No	No	-7.69000000000000039	0	0	0	0	0	0.550000000000000044
995	556.649999999999977	C34H36O7	\N	\N	1	O=C(c1ccccc1)OCC1=C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]3([C@@]([C@@H]1O)(O)[C@@H](OC(=O)c1ccccc1)C(=C3)C)C2=O)C	41	12	0.440000000000000002	7	7	2	152.490000000000009	110.129999999999995	4.25	4.12000000000000011	4.54000000000000004	3.89000000000000012	4.51999999999999957	4.26999999999999957	-5.63999999999999968	0.00127000000000000008	2.28000000000000019e-06	Moderately soluble	-6.13999999999999968	0.000404000000000000008	7.26000000000000016e-07	Poorly soluble	-6.98000000000000043	5.81999999999999984e-05	1.04000000000000005e-07	Poorly soluble	High	No	Yes	No	No	No	No	Yes	-6.76999999999999957	1	3	0	0	0	0.550000000000000044
996	526.490000000000009	C24H30O13	\N	\N	1	OC[C@H]1O[C@@H](O[C@H]([C@H]2OC(=O)C=C3[C@]42O[C@@H]4[C@H]2OC(=O)[C@@]4([C@H]2[C@]3(C)[C@@H]2O[C@@H]2[C@@H]4O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	37	0	0.82999999999999996	4	13	5	114.450000000000003	197.27000000000001	1.64999999999999991	-2.85999999999999988	-3.10999999999999988	-2.14999999999999991	-1.37000000000000011	-1.57000000000000006	-1.04000000000000004	48.2000000000000028	0.091499999999999998	Very soluble	-0.729999999999999982	98.9000000000000057	0.188	Very soluble	1.16999999999999993	7700	14.5999999999999996	Soluble	Low	No	Yes	No	No	No	No	No	-11.5399999999999991	2	2	1	1	3	0.170000000000000012
1215	232.319999999999993	C15H20O2	\N	\N	1	C=C1CCC[C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2)C	17	0	0.67000000000000004	0	2	0	67.9500000000000028	26.3000000000000007	2.68999999999999995	3.56999999999999984	3.24000000000000021	3.35000000000000009	3.54000000000000004	3.2799999999999998	-3.5299999999999998	0.0685999999999999943	0.000295000000000000015	Soluble	-3.81000000000000005	0.0361000000000000001	0.000155999999999999997	Soluble	-3.29999999999999982	0.116000000000000006	0.00050000000000000001	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.17999999999999972	0	0	0	0	0	0.550000000000000044
997	392.490000000000009	C22H32O6	\N	\N	1	CC(=O)O[C@H]1C[C@H](O)[C@@]2([C@@H](C1(C)C)C[C@H]([C@@]13[C@H]2CC[C@H]([C@H]3O)C(=C)C1=O)O)C	28	0	0.819999999999999951	2	6	3	103.129999999999995	104.060000000000002	2.39000000000000012	1.64999999999999991	1.6100000000000001	1.6100000000000001	1.98999999999999999	1.85000000000000009	-3.18000000000000016	0.259000000000000008	0.000658999999999999972	Soluble	-3.45000000000000018	0.140000000000000013	0.00035599999999999998	Soluble	-2.37999999999999989	1.62000000000000011	0.0041200000000000004	Soluble	High	No	Yes	No	No	No	No	No	-7.51999999999999957	0	0	0	0	0	0.550000000000000044
998	426.45999999999998	C24H26O7	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1c2c(O[C@H]1C(OC(=O)/C(=C\\C)/C)(C)C)ccc1c2oc(=O)cc1)/C	31	10	0.380000000000000004	7	7	0	115.980000000000004	92.0400000000000063	4.05999999999999961	4.33999999999999986	4.07000000000000028	2.79000000000000004	4.57000000000000028	3.9700000000000002	-4.99000000000000021	0.0043099999999999996	1.00999999999999999e-05	Moderately soluble	-5.99000000000000021	0.000438999999999999991	1.03000000000000009e-06	Moderately soluble	-5.26999999999999957	0.00228999999999999993	5.37000000000000025e-06	Moderately soluble	High	No	No	No	Yes	Yes	No	Yes	-5.82000000000000028	0	0	0	0	0	0.550000000000000044
999	404.449999999999989	C22H28O7	\N	\N	1	O=C[C@@H]1C(C)(C)CC[C@H]2[C@@]1(COC(=O)C)[C@@H]1[C@@H](O)C[C@@H]3C[C@@]1(C(=O)O2)C(=O)C3=C	29	0	0.729999999999999982	4	7	1	102.290000000000006	106.969999999999999	2.06000000000000005	1.45999999999999996	1.6100000000000001	1.43999999999999995	2.93999999999999995	1.89999999999999991	-3	0.401000000000000023	0.000992000000000000043	Soluble	-3.31000000000000005	0.197000000000000008	0.00048700000000000002	Soluble	-3.29999999999999982	0.201000000000000012	0.000497999999999999962	Soluble	High	No	Yes	No	No	No	No	No	-7.73000000000000043	0	0	0	0	0	0.550000000000000044
1000	302.449999999999989	C20H30O2	\N	\N	1	C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1	22	0	0.75	2	2	1	91.9599999999999937	37.2999999999999972	3.06999999999999984	5.29999999999999982	5.20999999999999996	4.54000000000000004	4.44000000000000039	4.50999999999999979	-4.91999999999999993	0.00361999999999999995	1.20000000000000003e-05	Moderately soluble	-5.83000000000000007	0.00044299999999999998	1.46e-06	Moderately soluble	-3.99000000000000021	0.0309000000000000004	0.000101999999999999999	Soluble	High	Yes	No	No	Yes	Yes	No	No	-4.37999999999999989	1	0	0	0	1	0.560000000000000053
1002	312.399999999999977	C20H24O3	\N	\N	1	C[C@H]1C=C2[C@@]3(C1)OC(=C(C3=O)C)CC(C=CC(=O)C(=C2)C)(C)C	23	0	0.5	0	3	0	91.2800000000000011	43.3699999999999974	3	3.74000000000000021	4.07000000000000028	2.58999999999999986	3.93999999999999995	3.4700000000000002	-4.12999999999999989	0.0229999999999999996	7.36000000000000001e-05	Moderately soluble	-4.33999999999999986	0.0142000000000000008	4.5399999999999999e-05	Moderately soluble	-4.23000000000000043	0.0183000000000000003	5.84999999999999989e-05	Moderately soluble	High	Yes	No	No	Yes	Yes	No	Yes	-5.54999999999999982	0	0	0	0	0	0.560000000000000053
1003	448.509999999999991	C24H32O8	\N	\N	1	CC(=O)O[C@H]1C[C@@H](C)[C@]([C@@H]2[C@]31[C@@H](OC(=O)C)O[C@H](C2)C[C@]13OC1)(C)[C@@H]1C[C@@H]2[C@H](O1)OC=C2	32	0	0.82999999999999996	5	8	0	110.75	92.8199999999999932	3.14999999999999991	2.45999999999999996	2.68999999999999995	2.06999999999999984	2.24000000000000021	2.52000000000000002	-3.83999999999999986	0.0646999999999999936	0.000144000000000000004	Soluble	-4.04999999999999982	0.0396999999999999992	8.84999999999999963e-05	Moderately soluble	-2.2799999999999998	2.35000000000000009	0.00525000000000000033	Soluble	High	No	Yes	No	No	No	No	No	-7.29000000000000004	0	0	0	0	0	0.550000000000000044
1004	722.730000000000018	C38H42O14	\N	\N	1	CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(=O)c3ccccc3)C(=C)[C@H](OC(=O)c3ccccc3)[C@@H](O)C(=O)C([C@H]3[C@H]([C@@H](C(=O)[C@]2([C@H]([C@@]1(C)O)O)OC(=O)C)C)O3)(C)C	52	12	0.469999999999999973	10	14	3	179.620000000000005	212.560000000000002	3.10000000000000009	2.08000000000000007	1.90999999999999992	0.739999999999999991	2.91000000000000014	2.14999999999999991	-5.13999999999999968	0.00521000000000000022	7.20999999999999958e-06	Moderately soluble	-6.16999999999999993	0.000485000000000000025	6.71000000000000013e-07	Poorly soluble	-5.75	0.0012800000000000001	1.76999999999999999e-06	Moderately soluble	Low	No	Yes	No	No	No	No	Yes	-9.23000000000000043	2	3	1	1	3	0.170000000000000012
1005	430.490000000000009	C24H30O7	\N	\N	1	CC(CC(=O)O[C@@H]1c2c(O[C@@H]1C(OC(=O)CC(C)C)(C)C)ccc1c2oc(=O)cc1)C	31	10	0.540000000000000036	9	7	0	116.930000000000007	92.0400000000000063	3.75999999999999979	4.48000000000000043	4.23000000000000043	2.93999999999999995	4.88999999999999968	4.05999999999999961	-4.98000000000000043	0.00455000000000000022	1.06000000000000002e-05	Moderately soluble	-6.12999999999999989	0.000317000000000000007	7.36000000000000026e-07	Poorly soluble	-5.99000000000000021	0.000436999999999999997	1.01999999999999998e-06	Moderately soluble	High	No	No	No	Yes	Yes	Yes	Yes	-5.75	0	0	0	0	0	0.550000000000000044
1006	304.470000000000027	C20H32O2	\N	\N	1	C=C[C@](CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CC(=O)CC2(C)C)(O)C	22	0	0.75	4	2	1	93.9599999999999937	37.2999999999999972	3.37999999999999989	3.77000000000000002	4.67999999999999972	3.72999999999999998	5.09999999999999964	4.12999999999999989	-3.83999999999999986	0.0441000000000000003	0.000145000000000000001	Soluble	-4.25	0.0172999999999999994	5.67000000000000026e-05	Moderately soluble	-4.70999999999999996	0.00589999999999999986	1.94000000000000006e-05	Moderately soluble	High	Yes	No	No	Yes	No	Yes	No	-5.48000000000000043	0	0	0	0	0	0.550000000000000044
1007	334.449999999999989	C20H30O4	\N	\N	1	C=C1CC[C@H]2[C@H](C2(C)C)C=C(C(=O)[C@@]2([C@@H]([C@@H]1O)[C@@H](O)[C@H](C2)C)O)C	24	0	0.75	0	4	3	94.4300000000000068	77.7600000000000051	2.62999999999999989	2.18000000000000016	2.22999999999999998	1.98999999999999999	2.25999999999999979	2.25999999999999979	-3.29000000000000004	0.172999999999999987	0.000515999999999999966	Soluble	-3.45000000000000018	0.119999999999999996	0.000357999999999999974	Soluble	-2.45999999999999996	1.15999999999999992	0.00348000000000000002	Soluble	High	No	Yes	No	No	No	No	No	-6.79000000000000004	0	0	0	0	0	0.550000000000000044
1008	432.379999999999995	C21H20O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O	31	16	0.28999999999999998	4	10	6	106.109999999999999	170.050000000000011	2.43999999999999995	0.859999999999999987	0.0500000000000000028	-1.6100000000000001	0.349999999999999978	0.419999999999999984	-3.18000000000000016	0.284999999999999976	0.000659999999999999996	Soluble	-4.00999999999999979	0.0417999999999999969	9.67000000000000059e-05	Moderately soluble	-2.68999999999999995	0.877000000000000002	0.00203000000000000012	Soluble	Low	No	Yes	No	No	No	No	No	-8.33000000000000007	1	0	1	1	2	0.550000000000000044
1009	612.789999999999964	C36H52O8	\N	\N	1	CCCCCCCCC/C=C/C=C/C=C/C(=O)O[C@@]12C[C@@H](C)[C@]3([C@H]([C@@H]1C2(C)C)[C@@H]1O[C@]1(CO)[C@H]([C@]1([C@H]3C=C(C1=O)C)O)O)O	44	0	0.719999999999999973	14	8	4	169.810000000000002	136.819999999999993	5.70999999999999996	6.28000000000000025	4.5	2.49000000000000021	6.51999999999999957	5.09999999999999964	-6.66999999999999993	0.000129999999999999989	2.12999999999999988e-07	Poorly soluble	-8.9399999999999995	7.02000000000000013e-07	1.14999999999999996e-09	Poorly soluble	-4.88999999999999968	0.00788999999999999944	1.29000000000000002e-05	Moderately soluble	Low	No	Yes	No	No	Yes	No	No	-5.58000000000000007	1	3	1	1	2	0.550000000000000044
1011	822.940000000000055	C46H54N4O10	\N	\N	1	O=CN1CCc2c3ccccc3[nH]c2[C@@](CC(=O)CC(=C1)CC)(C(=O)OC)c1cc2c(cc1OC)N([C@@H]1[C@@]32CCN2[C@@H]3[C@@](CC)(C=CC2)[C@H]([C@]1(O)C(=O)OC)OC(=O)C)C	60	15	0.5	11	11	2	233.75	168.009999999999991	5.16999999999999993	2.93999999999999995	3.10000000000000009	2.20999999999999996	4.91999999999999993	3.66999999999999993	-6.25	0.00045899999999999999	5.57999999999999994e-07	Poorly soluble	-6.12999999999999989	0.000609999999999999974	7.40999999999999978e-07	Poorly soluble	-8.58000000000000007	2.17999999999999988e-06	2.65000000000000015e-09	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-9.23000000000000043	2	3	2	1	4	0.170000000000000012
1012	524.559999999999945	C26H36O11	\N	\N	1	OC[C@H]1O[C@@H](OC[C@]2(O)[C@@H]3C[C@@H]([C@@H]4[C@]([C@H]2O)(C3)CC[C@H]2[C@@]4(C)CC(=O)c3c2cco3)O)[C@@H]([C@H]([C@@H]1O)O)O	37	5	0.810000000000000053	4	11	7	124.450000000000003	190.280000000000001	1.35000000000000009	-1.23999999999999999	-0.949999999999999956	-1.89999999999999991	-0.560000000000000053	-0.660000000000000031	-2.14999999999999991	3.74000000000000021	0.00713000000000000005	Soluble	-2.25999999999999979	2.87999999999999989	0.00549000000000000009	Soluble	-0.869999999999999996	70.2999999999999972	0.134000000000000008	Soluble	Low	No	Yes	No	No	No	No	No	-10.3800000000000008	3	3	1	1	3	0.170000000000000012
1013	346.470000000000027	C22H26N4	\N	\N	1	CN1CC[C@@]2([C@H]1Nc1c2cccc1)[C@@]12CCN([C@@H]1Nc1c2cccc1)C	26	12	0.450000000000000011	1	2	2	118.959999999999994	30.5399999999999991	2.66999999999999993	3.91999999999999993	1.12999999999999989	3.5299999999999998	2.37000000000000011	2.7200000000000002	-4.73000000000000043	0.00640000000000000031	1.84999999999999991e-05	Moderately soluble	-4.25999999999999979	0.0189999999999999995	5.48999999999999995e-05	Moderately soluble	-6.15000000000000036	0.000246000000000000016	7.10999999999999948e-07	Poorly soluble	High	Yes	Yes	No	No	No	Yes	No	-5.62999999999999989	0	0	0	0	0	0.550000000000000044
1014	654.700000000000045	C38H38O10	\N	\N	1	OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@]4(O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)C(=C1)C)[C@@H]([C@H]([C@@]3(O4)C(=C)C)OC(=O)/C=C/C=C/c1ccccc1)C)c1ccccc1	48	12	0.419999999999999984	8	10	3	171.629999999999995	144.280000000000001	4.40000000000000036	3.81000000000000005	2.91000000000000014	1.92999999999999994	4.54000000000000004	3.52000000000000002	-5.95999999999999996	0.000724000000000000034	1.10999999999999996e-06	Moderately soluble	-6.53000000000000025	0.000191000000000000008	2.92000000000000021e-07	Poorly soluble	-5.76999999999999957	0.0011199999999999999	1.70999999999999993e-06	Moderately soluble	Low	No	Yes	No	Yes	Yes	No	No	-7.58999999999999986	1	3	1	1	2	0.550000000000000044
1015	560.720000000000027	C32H48O8	\N	\N	1	CCCCCCCCCCC[C@@]12O[C@H]3[C@@](O1)(C[C@H]([C@@]1(O2)[C@H]3[C@@H]2O[C@@]2([C@H]([C@]2([C@H]1C=C(C2=O)C)O)O)CO)C)C(=C)C	40	0	0.839999999999999969	12	8	3	150.52000000000001	117.980000000000004	4.98000000000000043	5.59999999999999964	4.09999999999999964	2.02000000000000002	5.62999999999999989	4.46999999999999975	-6.04999999999999982	0.000497000000000000046	8.85999999999999966e-07	Poorly soluble	-7.83999999999999986	8.11000000000000028e-06	1.45000000000000008e-08	Poorly soluble	-5.66000000000000014	0.00124	2.20000000000000011e-06	Moderately soluble	High	No	Yes	No	No	No	No	No	-5.74000000000000021	1	3	1	0	1	0.550000000000000044
1238	234.330000000000013	C15H22O2	\N	\N	1	O=C1O[C@@H]2C(=C1C)C[C@]1([C@@H](C2)CCC[C@@H]1C)C	17	0	0.800000000000000044	0	2	0	68.4300000000000068	26.3000000000000007	2.72999999999999998	3.66999999999999993	3.45999999999999996	3.43999999999999995	3.37000000000000011	3.33999999999999986	-3.60000000000000009	0.0582000000000000017	0.000248000000000000011	Soluble	-3.91000000000000014	0.0286999999999999998	0.000123000000000000008	Soluble	-3.27000000000000002	0.125	0.000533000000000000054	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.12000000000000011	0	0	0	0	0	0.550000000000000044
1016	312.360000000000014	C19H20O4	\N	\N	1	C[C@@H]1Cc2occ3c2[C@@H]([C@]21C[C@H](OC2=O)c1cocc1)CCC3	23	10	0.530000000000000027	1	4	0	83.5	52.5799999999999983	2.75	3.43000000000000016	3.83000000000000007	2.31999999999999984	4.03000000000000025	3.27000000000000002	-4.19000000000000039	0.0200000000000000004	6.40999999999999995e-05	Moderately soluble	-4.20999999999999996	0.0190999999999999989	6.09999999999999987e-05	Moderately soluble	-5.41000000000000014	0.00121999999999999995	3.91999999999999974e-06	Moderately soluble	High	Yes	Yes	No	Yes	No	Yes	No	-5.76999999999999957	0	0	0	0	0	0.550000000000000044
1018	362.370000000000005	C19H22O7	\N	\N	1	O=c1oc(C(C)C)c2c(c1)[C@@]1(C)[C@H]3O[C@H]3[C@@H]([C@]3([C@@H]1[C@@H]([C@@H]2O)OC3=O)C)O	26	6	0.680000000000000049	1	7	2	88.6099999999999994	109.5	2.00999999999999979	-0.23000000000000001	0.429999999999999993	0.770000000000000018	2.12999999999999989	1.02000000000000002	-2.04999999999999982	3.25999999999999979	0.00898000000000000013	Soluble	-1.6100000000000001	8.84999999999999964	0.0244000000000000015	Very soluble	-2.7799999999999998	0.598999999999999977	0.00164999999999999999	Soluble	High	No	Yes	No	No	No	No	No	-8.66999999999999993	0	0	0	0	0	0.550000000000000044
1019	338.439999999999998	C21H26N2O2	\N	\N	1	CC[C@H]1C[C@@H]2CN3[C@H]1[C@](C2)(C(=O)OC)c1[nH]c2c(c1CC3)cccc2	25	9	0.569999999999999951	3	3	1	102.739999999999995	45.3299999999999983	3.29999999999999982	3.54000000000000004	2.87000000000000011	3.04000000000000004	3.74000000000000021	3.29999999999999982	-4.24000000000000021	0.0195999999999999994	5.78999999999999979e-05	Moderately soluble	-4.17999999999999972	0.0224999999999999992	6.66000000000000061e-05	Moderately soluble	-5.24000000000000021	0.00193000000000000007	5.71000000000000039e-06	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-5.84999999999999964	0	0	0	0	0	0.550000000000000044
1020	272.470000000000027	C20H32	\N	\N	1	C/C/1=C\\C[C@@H](CC/C(=C/CC/C(=C/CC1)/C)/C)C(=C)C	20	0	0.599999999999999978	1	0	0	94.2399999999999949	0	4.01999999999999957	7.16000000000000014	6.75999999999999979	5.62999999999999989	5.25999999999999979	5.76999999999999957	-5.96999999999999975	0.000288999999999999977	1.06000000000000002e-06	Moderately soluble	-6.98000000000000043	2.85000000000000016e-05	1.04000000000000005e-07	Poorly soluble	-4.79999999999999982	0.0043499999999999997	1.59999999999999993e-05	Moderately soluble	Low	No	No	No	Yes	Yes	No	Yes	-2.87999999999999989	1	1	0	1	2	0.550000000000000044
1021	334.319999999999993	C17H18O7	\N	\N	1	COc1c2ccoc2c(c2c1ccc(=O)o2)OC[C@H](C(O)(C)C)O	24	13	0.349999999999999978	5	7	2	86.8299999999999983	102.269999999999996	2.60999999999999988	1.57000000000000006	2.06000000000000005	0.28999999999999998	2.66999999999999993	1.84000000000000008	-2.9700000000000002	0.355999999999999983	0.00105999999999999996	Soluble	-3.33000000000000007	0.157000000000000001	0.000469999999999999986	Soluble	-4.46999999999999975	0.0114000000000000004	3.41999999999999978e-05	Moderately soluble	High	No	Yes	Yes	No	No	No	No	-7.21999999999999975	0	0	0	0	0	0.550000000000000044
1022	512.629999999999995	C30H40O7	\N	\N	1	CCC/C=C/C=C\\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C(=O)[C@H]3CC(=C[C@H]2[C@H]2[C@]1(OC(=O)C)C2(C)C)CO)C	37	0	0.630000000000000004	9	7	2	140.879999999999995	110.129999999999995	4.5	3.50999999999999979	3.85000000000000009	2.91000000000000014	4.5	3.85000000000000009	-4.63999999999999968	0.0119000000000000009	2.30999999999999991e-05	Moderately soluble	-5.50999999999999979	0.00160000000000000008	3.1200000000000002e-06	Moderately soluble	-3.75999999999999979	0.0883000000000000035	0.000172000000000000007	Soluble	High	No	No	No	No	Yes	No	Yes	-6.92999999999999972	1	3	0	0	0	0.550000000000000044
1023	596.799999999999955	C40H44N4O	\N	\N	1	C/C=C\\1/C[N@+]2(C)CC[C@@]34[C@@H]2C[C@@H]1C1=CN2c5ccccc5[C@]56[C@]72O[C@@]31N(C=C7[C@H]1C[C@@H]6[N@@+](CC5)(C/C/1=C/C)C)c1c4cccc1	45	12	0.5	0	1	0	194.370000000000005	15.7100000000000009	-4.37000000000000011	3.75	4.58000000000000007	-1.55000000000000004	4.07000000000000028	1.30000000000000004	-6.09999999999999964	0.000473999999999999975	7.94000000000000042e-07	Poorly soluble	-3.77000000000000002	0.101000000000000006	0.000168999999999999988	Soluble	-9.34999999999999964	2.66000000000000026e-07	4.46000000000000011e-10	Poorly soluble	High	Yes	Yes	No	No	No	No	No	-7.28000000000000025	1	3	0	0	1	0.550000000000000044
1025	370.439999999999998	C22H26O5	\N	\N	1	CCCc1cc(=O)oc2c1c1OC(C)(C)C=Cc1c1c2[C@@H](O)[C@@H]([C@H](O1)C)C	27	10	0.5	2	5	1	106.109999999999999	68.9000000000000057	3.74000000000000021	3.83999999999999986	3.95000000000000018	2.85000000000000009	4.62999999999999989	3.79999999999999982	-4.70000000000000018	0.00742999999999999997	2.00000000000000016e-05	Moderately soluble	-4.98000000000000043	0.00385000000000000012	1.04000000000000004e-05	Moderately soluble	-5.70000000000000018	0.000742999999999999954	1.99999999999999991e-06	Moderately soluble	High	Yes	Yes	No	Yes	Yes	Yes	Yes	-5.83000000000000007	0	0	0	0	0	0.550000000000000044
1026	302.449999999999989	C20H30O2	\N	\N	1	C=C[C@]1(C)CC[C@@H]2C(=C1)C(=O)C[C@H]1[C@@]2(C)CC[C@H](C1(C)C)O	22	0	0.75	1	2	1	91.5499999999999972	37.2999999999999972	3.12000000000000011	4.57000000000000028	4.29000000000000004	3.72999999999999998	4.29999999999999982	4	-4.53000000000000025	0.00895999999999999922	2.96000000000000012e-05	Moderately soluble	-5.08000000000000007	0.00253000000000000013	8.37999999999999939e-06	Moderately soluble	-4.08999999999999986	0.0246999999999999997	8.16999999999999937e-05	Moderately soluble	High	Yes	No	No	Yes	Yes	No	No	-4.90000000000000036	0	0	0	0	0	0.550000000000000044
1027	294.389999999999986	C19H22N2O	\N	\N	1	CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1	22	9	0.530000000000000027	1	2	0	92.2199999999999989	25.2399999999999984	2.95999999999999996	3.0299999999999998	3.06999999999999984	3.43999999999999995	3.25999999999999979	3.14999999999999991	-3.81000000000000005	0.0454999999999999988	0.000155	Soluble	-3.22999999999999998	0.174999999999999989	0.000595000000000000043	Soluble	-4.70999999999999996	0.00566999999999999969	1.93000000000000016e-05	Moderately soluble	High	Yes	Yes	No	Yes	No	Yes	Yes	-5.94000000000000039	0	0	0	0	0	0.550000000000000044
1028	334.449999999999989	C20H30O4	\N	\N	1	O=CC1=CC[C@@H]2[C@]([C@]31CC[C@@](O3)(C)CC(=O)O)(C)CCCC2(C)C	24	0	0.800000000000000044	3	4	1	94.0499999999999972	63.6000000000000014	2.64000000000000012	3.35999999999999988	4.12999999999999989	2.81000000000000005	4.00999999999999979	3.39000000000000012	-3.83000000000000007	0.0492000000000000007	0.000146999999999999995	Soluble	-4.37000000000000011	0.0142000000000000008	4.22999999999999982e-05	Moderately soluble	-3.95000000000000018	0.0376000000000000015	0.000111999999999999998	Soluble	High	Yes	Yes	No	No	No	No	No	-5.95000000000000018	0	0	0	0	0	0.560000000000000053
1029	374.379999999999995	C20H22O7	\N	\N	1	O=C1O[C@H](C[C@@]2([C@@H]1CC[C@@]1([C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@@H]1[C@H]2O1)C)C)c1cocc1	27	5	0.699999999999999956	1	7	1	89.5400000000000063	98.5	2.12999999999999989	1.33000000000000007	1.41999999999999993	1.04000000000000004	2.12999999999999989	1.6100000000000001	-3.06999999999999984	0.319000000000000006	0.000850999999999999977	Soluble	-3	0.375	0.00100000000000000002	Soluble	-3.20999999999999996	0.233000000000000013	0.000622000000000000049	Soluble	High	No	Yes	No	No	No	Yes	No	-7.63999999999999968	0	0	0	0	0	0.550000000000000044
1030	660.879999999999995	C38H60O9	\N	\N	1	CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]([C@H]3[C@]1(OC(=O)C)[C@]3(C)CO)C=C(C[C@]1([C@H]2C=C(C1=O)C)O)CO	47	0	0.819999999999999951	20	9	4	182.650000000000006	150.590000000000003	6.20000000000000018	6.41000000000000014	5.50999999999999979	2.95999999999999996	7.17999999999999972	5.65000000000000036	-6.66000000000000014	0.000145999999999999998	2.21000000000000007e-07	Poorly soluble	-9.36999999999999922	2.85000000000000024e-07	4.31000000000000011e-10	Poorly soluble	-7.33000000000000007	3.05999999999999984e-05	4.61999999999999968e-08	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-5.78000000000000025	1	3	2	1	4	0.550000000000000044
1032	364.430000000000007	C20H28O6	\N	\N	1	OCC1=C[C@H]2[C@H]3[C@@](C3(C)C)(O)[C@@H]([C@H]([C@@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)O)C)O	26	0	0.75	1	6	5	94.7099999999999937	118.219999999999999	2.58999999999999986	-0.839999999999999969	-0.0700000000000000067	0.349999999999999978	0.859999999999999987	0.57999999999999996	-1.5	11.4000000000000004	0.0313000000000000014	Very soluble	-1.15999999999999992	25.1000000000000014	0.0688	Very soluble	-1.26000000000000001	20	0.0550000000000000003	Soluble	High	No	Yes	No	No	No	No	No	-9.11999999999999922	0	0	0	0	0	0.550000000000000044
1033	600.779999999999973	C35H52O8	\N	\N	1	CCCCCCCCCC(=O)O[C@@]12[C@H](OC(=O)/C(=C/C)/C)[C@@H](C)[C@]3([C@H]([C@@H]1C2(C)C)C=C(CO)C[C@]1([C@H]3C=C(C1=O)C)O)O	43	0	0.739999999999999991	14	8	3	166.590000000000003	130.360000000000014	4.38999999999999968	5.58000000000000007	5.13999999999999968	3.12999999999999989	6.16000000000000014	4.87999999999999989	-6.16000000000000014	0.000418999999999999993	6.9800000000000003e-07	Poorly soluble	-8.08000000000000007	5.01000000000000031e-06	8.33000000000000081e-09	Poorly soluble	-6.01999999999999957	0.000568000000000000037	9.46000000000000027e-07	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-6	1	3	1	0	2	0.550000000000000044
1034	416.470000000000027	C26H24O5	\N	\N	1	C/C=C(/C(=O)c1c(OC)c2C=CC(Oc2c2c1oc(=O)cc2c1ccccc1)(C)C)\\C	31	16	0.23000000000000001	4	5	0	122.670000000000002	65.7399999999999949	3.68000000000000016	4.86000000000000032	5.69000000000000039	3.31999999999999984	6.23000000000000043	4.75999999999999979	-5.59999999999999964	0.00103999999999999991	2.5000000000000002e-06	Moderately soluble	-5.96999999999999975	0.000440999999999999986	1.06000000000000002e-06	Moderately soluble	-7.83999999999999986	5.99000000000000025e-06	1.43999999999999999e-08	Poorly soluble	High	No	No	No	Yes	Yes	No	Yes	-5.38999999999999968	0	1	0	0	0	0.550000000000000044
1035	302.449999999999989	C20H30O2	\N	\N	1	C=C[C@]1(C)CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O	22	0	0.75	2	2	1	91.9599999999999937	37.2999999999999972	2.68999999999999995	5.54999999999999982	5.20999999999999996	4.54000000000000004	4.44000000000000039	4.49000000000000021	-5.08000000000000007	0.0025200000000000001	8.31999999999999996e-06	Moderately soluble	-6.08999999999999986	0.000243999999999999995	8.05999999999999991e-07	Poorly soluble	-3.99000000000000021	0.0309000000000000004	0.000101999999999999999	Soluble	High	Yes	No	No	Yes	Yes	No	No	-4.20000000000000018	1	0	0	0	1	0.560000000000000053
1036	267.329999999999984	C16H17N3O	\N	\N	1	CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N	20	9	0.309999999999999998	1	2	2	82.8799999999999955	62.1199999999999974	1.73999999999999999	1.62999999999999989	1.1399999999999999	1.3899999999999999	1.87999999999999989	1.56000000000000005	-2.79000000000000004	0.431999999999999995	0.00161999999999999991	Soluble	-2.54999999999999982	0.758000000000000007	0.00284000000000000008	Soluble	-3.54999999999999982	0.0757000000000000034	0.000282999999999999994	Soluble	High	Yes	Yes	Yes	No	No	Yes	No	-6.76999999999999957	0	0	0	0	0	0.550000000000000044
1037	638.789999999999964	C37H50O9	\N	\N	1	OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@@]45O[C@]1([C@H]1[C@@]([C@@H]2O)(O)[C@@H](OC(=O)c2ccccc2)[C@H]([C@@H]1[C@H](C)CCCCCCC5)C)[C@@H](C[C@@]3(O4)C(=C)C)C	46	6	0.760000000000000009	5	9	3	169.870000000000005	127.209999999999994	3.83999999999999986	6.15000000000000036	4.51999999999999957	3.04999999999999982	4.00999999999999979	4.30999999999999961	-7.44000000000000039	2.30999999999999991e-05	3.61999999999999999e-08	Poorly soluble	-8.59999999999999964	1.59000000000000002e-06	2.48999999999999988e-09	Poorly soluble	-5.37000000000000011	0.00270000000000000014	4.23000000000000016e-06	Moderately soluble	Low	No	Yes	No	No	No	No	No	-5.83000000000000007	1	3	0	0	3	0.550000000000000044
1038	561.669999999999959	C31H39N5O5	\N	\N	1	O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(O[C@@]2(N(C1=O)[C@@H](C(C)C)C(=O)N1[C@H]2CCC1)O)C(C)C	41	9	0.57999999999999996	5	6	3	165.080000000000013	118.209999999999994	3.93999999999999995	3.39999999999999991	0.900000000000000022	1.28000000000000003	1.94999999999999996	2.29000000000000004	-5.29999999999999982	0.00284000000000000008	5.04999999999999993e-06	Moderately soluble	-5.55999999999999961	0.00153999999999999992	2.74000000000000002e-06	Moderately soluble	-4.96999999999999975	0.00598000000000000007	1.06000000000000002e-05	Moderately soluble	High	No	Yes	No	No	Yes	Yes	Yes	-7.30999999999999961	1	3	0	0	0	0.550000000000000044
1040	609.710000000000036	C35H39N5O5	\N	\N	1	O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O)C(C)C	45	15	0.46000000000000002	6	6	3	179.960000000000008	118.209999999999994	3.2799999999999998	4.01999999999999957	1.47999999999999998	1.80000000000000004	2.72999999999999998	2.66000000000000014	-6	0.000604999999999999961	9.91999999999999989e-07	Poorly soluble	-6.20999999999999996	0.000380000000000000021	6.23000000000000007e-07	Poorly soluble	-7.00999999999999979	5.9700000000000001e-05	9.78999999999999965e-08	Poorly soluble	High	No	Yes	No	No	Yes	Yes	Yes	-7.16999999999999993	1	3	0	0	2	0.550000000000000044
1041	254.280000000000001	C16H14O3	\N	\N	1	C=CC(c1cc2cc3ccoc3cc2oc1=O)(C)C	19	13	0.190000000000000002	2	3	0	75.8599999999999994	43.3500000000000014	3.00999999999999979	3.62000000000000011	4	2.7200000000000002	4.45999999999999996	3.56000000000000005	-4.07000000000000028	0.0216000000000000011	8.48000000000000012e-05	Moderately soluble	-4.21999999999999975	0.0154000000000000005	6.05000000000000001e-05	Moderately soluble	-5.76999999999999957	0.000427999999999999995	1.68000000000000001e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	No	-5.28000000000000025	0	0	0	0	0	0.550000000000000044
1042	356.370000000000005	C20H20O6	\N	\N	1	OC[C@]12[C@@H]3OC(=O)C1=CCC[C@@H]2[C@]1(C(=C)C3)C[C@H](OC1=O)c1cocc1	26	5	0.5	2	6	1	89.5900000000000034	85.9699999999999989	2.25	1.58000000000000007	2.12999999999999989	1.67999999999999994	2.83999999999999986	2.10000000000000009	-3.06000000000000005	0.314000000000000001	0.000880999999999999947	Soluble	-3	0.359999999999999987	0.00101000000000000005	Soluble	-3.95999999999999996	0.0393000000000000016	0.000110000000000000004	Soluble	High	No	Yes	No	No	No	No	No	-7.34999999999999964	0	0	0	0	0	0.550000000000000044
1043	374.379999999999995	C20H22O7	\N	\N	1	O[C@@H]1C=C2C(=O)O[C@H]3[C@@]42[C@H](C1)[C@](C[C@@H](c1cocc1)O)([C@H](OC4)O)C(=C)C3	27	5	0.550000000000000044	3	7	3	91.7099999999999937	109.359999999999999	1.91999999999999993	0.0299999999999999989	0.890000000000000013	0.550000000000000044	1.62000000000000011	1	-2.12000000000000011	2.85000000000000009	0.00759999999999999998	Soluble	-1.87999999999999989	4.95000000000000018	0.0131999999999999999	Very soluble	-2.43999999999999995	1.35000000000000009	0.0035999999999999999	Soluble	High	No	Yes	No	No	No	No	No	-8.5600000000000005	0	0	0	0	0	0.550000000000000044
1044	318.370000000000005	C16H22N4O3	\N	\N	1	CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C(=O)NC	23	6	0.5	5	3	2	93.1299999999999955	73.9099999999999966	2.47999999999999998	0.869999999999999996	0.719999999999999973	1.81000000000000005	0.100000000000000006	1.19999999999999996	-2.22999999999999998	1.89999999999999991	0.00596000000000000002	Soluble	-2.00999999999999979	3.14000000000000012	0.00986000000000000071	Soluble	-3.20000000000000018	0.200000000000000011	0.000630000000000000026	Soluble	High	No	Yes	No	No	No	No	No	-7.62000000000000011	0	0	0	0	0	0.550000000000000044
1045	274.350000000000023	C17H22O3	\N	\N	1	Oc1ccc2c(c1)[C@@]1(C)CCC[C@]([C@@H]1CC2)(C)C(=O)O	20	6	0.589999999999999969	1	3	2	78.8299999999999983	57.5300000000000011	1.89999999999999991	3.31999999999999984	3.49000000000000021	3.14000000000000012	3.31000000000000005	3.0299999999999998	-3.79000000000000004	0.0446000000000000008	0.000163000000000000005	Soluble	-4.20000000000000018	0.0171000000000000006	6.23999999999999989e-05	Moderately soluble	-3.93000000000000016	0.0318999999999999978	0.000116000000000000001	Soluble	High	Yes	Yes	No	No	No	Yes	No	-5.62000000000000011	0	0	0	0	0	0.560000000000000053
1047	330.370000000000005	C19H22O5	\N	\N	1	O=C1O[C@H](C(C)C)[C@@]23C(=C1)[C@@]1(C)CC=C[C@]4([C@@H]1[C@@H]([C@H]3O2)OC4=O)C	24	0	0.680000000000000049	1	5	0	85.0999999999999943	65.1299999999999955	2.72999999999999998	2.25999999999999979	2.16000000000000014	2.4700000000000002	2.77000000000000002	2.47999999999999998	-3.25	0.187	0.000567000000000000013	Soluble	-3.25999999999999979	0.179999999999999993	0.000543999999999999996	Soluble	-2.64999999999999991	0.742999999999999994	0.00224999999999999983	Soluble	High	Yes	No	No	No	No	No	No	-6.70999999999999996	0	0	0	0	0	0.550000000000000044
1048	346.370000000000005	C19H22O6	\N	\N	1	O=C1O[C@H](C(C)C)C2=C[C@@H]3[C@@H]4[C@](C2=C1)(C)[C@H]1O[C@H]1[C@@H]([C@]4(C)C(=O)O3)O	25	0	0.680000000000000049	1	6	1	86.230000000000004	85.3599999999999994	2.58999999999999986	0.839999999999999969	1.12999999999999989	1.65999999999999992	1.87000000000000011	1.62000000000000011	-2.45000000000000018	1.22999999999999998	0.00354000000000000018	Soluble	-2.2200000000000002	2.10999999999999988	0.00608999999999999993	Soluble	-1.83000000000000007	5.09999999999999964	0.0146999999999999995	Soluble	High	No	Yes	No	No	No	No	No	-7.82000000000000028	0	0	0	0	0	0.550000000000000044
1049	336.470000000000027	C20H32O4	\N	\N	1	OC/C=C(/CC[C@@]1(CO)[C@H](C)C[C@]2([C@@H]1CCC=C(C2)C)C=O)\\CO	24	0	0.75	7	4	3	96.2399999999999949	77.7600000000000051	2.87000000000000011	1.56000000000000005	2.62999999999999989	1.98999999999999999	3.62999999999999989	2.54000000000000004	-2.45000000000000018	1.19999999999999996	0.00356999999999999982	Soluble	-2.79999999999999982	0.530000000000000027	0.00157	Soluble	-3	0.333000000000000018	0.000989000000000000079	Soluble	High	Yes	Yes	No	No	No	No	No	-7.24000000000000021	0	0	0	0	0	0.550000000000000044
1050	291.350000000000023	C15H21N3O3	\N	\N	1	CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(O[C@@H]1N2C)C	21	6	0.530000000000000027	3	4	1	86.019999999999996	54.0399999999999991	2.93000000000000016	1.62999999999999989	0.939999999999999947	2.04000000000000004	0.560000000000000053	1.62000000000000011	-2.68999999999999995	0.598999999999999977	0.0020600000000000002	Soluble	-2.37999999999999989	1.21999999999999997	0.00419000000000000015	Soluble	-2.95000000000000018	0.32400000000000001	0.00111000000000000009	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.91999999999999993	0	0	0	0	0	0.550000000000000044
1051	332.430000000000007	C20H28O4	\N	\N	1	O=C1O[C@H]2[C@H]3[C@]1(C)CCC[C@]3(C)[C@]1([C@@H](C2)C)CC[C@]2(O1)COC=C2	24	0	0.849999999999999978	0	4	0	90.2199999999999989	44.759999999999998	3.16000000000000014	3.33999999999999986	3.60000000000000009	2.89999999999999991	3.37000000000000011	3.27000000000000002	-4.00999999999999979	0.0328000000000000028	9.88000000000000027e-05	Moderately soluble	-3.95999999999999996	0.0367000000000000035	0.000110000000000000004	Soluble	-3.62999999999999989	0.0785000000000000003	0.00023599999999999999	Soluble	High	Yes	No	No	No	No	No	No	-5.95999999999999996	0	0	0	0	0	0.550000000000000044
1052	364.430000000000007	C20H28O6	\N	\N	1	OCC1=C[C@H]2[C@@H](O)[C@@](O)(C[C@H]([C@@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)O)C)C(=C)C	26	0	0.650000000000000022	2	6	5	96.6099999999999994	118.219999999999999	2.62000000000000011	-0.469999999999999973	0.239999999999999991	0.260000000000000009	1.1399999999999999	0.760000000000000009	-1.66999999999999993	7.76999999999999957	0.0212999999999999995	Very soluble	-1.55000000000000004	10.4000000000000004	0.0284000000000000016	Very soluble	-1.29000000000000004	18.6999999999999993	0.0514000000000000012	Soluble	High	No	Yes	No	No	No	No	No	-8.85999999999999943	0	0	0	0	0	0.550000000000000044
1053	628.710000000000036	C37H40O9	\N	\N	1	COc1cc(O)ccc1CC(=O)OCC1=C[C@H]2[C@H]3O[C@]4(O[C@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)[C@@H](C[C@@]3(O4)C(=C)C)C)Cc1ccccc1	46	12	0.46000000000000002	9	9	2	169.030000000000001	120.75	4.57000000000000028	4.50999999999999979	4.74000000000000021	2.85999999999999988	5.62000000000000011	4.45999999999999996	-6.17999999999999972	0.000416999999999999999	6.63000000000000047e-07	Poorly soluble	-6.76999999999999957	0.000107999999999999996	1.71000000000000009e-07	Poorly soluble	-7.86000000000000032	8.73999999999999933e-06	1.39000000000000004e-08	Poorly soluble	Low	No	Yes	No	No	Yes	No	Yes	-6.92999999999999972	1	3	0	0	1	0.550000000000000044
1055	316.430000000000007	C20H28O3	\N	\N	1	O=C1C(=O)C(=C(C2=C1[C@@]1(C)CCCC([C@@H]1CC2)(C)C)O)C(C)C	23	0	0.699999999999999956	1	3	1	92.4200000000000017	54.3699999999999974	2.91999999999999993	4.44000000000000039	4.53000000000000025	2.75999999999999979	4.5	3.83000000000000007	-4.53000000000000025	0.00927000000000000046	2.93000000000000007e-05	Moderately soluble	-5.29999999999999982	0.00158000000000000002	5.01000000000000031e-06	Moderately soluble	-4.62000000000000011	0.00757000000000000034	2.39000000000000016e-05	Moderately soluble	High	Yes	Yes	No	Yes	Yes	No	Yes	-5.08000000000000007	0	0	0	0	0	0.560000000000000053
1056	308.5	C20H36O2	\N	\N	1	C=C[C@@](CC[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CCCC2(C)C)(O)C	22	0	0.900000000000000022	4	2	2	95.4300000000000068	40.4600000000000009	3.60000000000000009	4.92999999999999972	4.70000000000000018	3.93000000000000016	4.63999999999999968	4.36000000000000032	-4.58999999999999986	0.00784999999999999934	2.54000000000000008e-05	Moderately soluble	-5.51999999999999957	0.000938999999999999948	3.04000000000000012e-06	Moderately soluble	-4.24000000000000021	0.0178999999999999992	5.78999999999999979e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-4.67999999999999972	0	0	0	0	0	0.550000000000000044
1057	362.420000000000016	C20H26O6	\N	\N	1	C=C1[C@@H]2C[C@H]([C@@H]3[C@](C1=O)(C2)C(=O)OC[C@@]13CCC[C@@]2([C@H]1[C@@H](O)OC2)C)O	26	0	0.800000000000000044	0	6	2	91.3199999999999932	93.0600000000000023	1.68999999999999995	1.40999999999999992	1.19999999999999996	1.57000000000000006	2.06999999999999984	1.59000000000000008	-2.97999999999999998	0.384000000000000008	0.00105999999999999996	Soluble	-2.9700000000000002	0.390000000000000013	0.00106999999999999999	Soluble	-2.52000000000000002	1.1100000000000001	0.00305000000000000019	Soluble	High	No	Yes	No	No	No	No	No	-7.50999999999999979	0	0	0	0	0	0.550000000000000044
1327	232.280000000000001	C14H16O3	\N	\N	1	C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@H]1C=CC2=O	17	0	0.569999999999999951	0	3	0	63.6099999999999994	43.3699999999999974	2.04000000000000004	2.0299999999999998	1.8899999999999999	2.12000000000000011	2.06000000000000005	2.0299999999999998	-2.56000000000000005	0.641000000000000014	0.00275999999999999987	Soluble	-2.56999999999999984	0.627000000000000002	0.00270000000000000014	Soluble	-1.8899999999999999	3.0299999999999998	0.0129999999999999994	Soluble	High	Yes	No	No	No	No	No	No	-6.28000000000000025	0	0	0	0	0	0.550000000000000044
1058	532.669999999999959	C30H44O8	\N	\N	1	CCCCCCCCC[C@@]12O[C@H]3[C@@](O1)(C[C@H]([C@@]1(O2)[C@H]3[C@@H]2O[C@@]2([C@H]([C@]2([C@H]1C=C(C2=O)C)O)O)CO)C)C(=C)C	38	0	0.82999999999999996	10	8	3	140.909999999999997	117.980000000000004	4.58999999999999986	4.50999999999999979	3.31999999999999984	1.6399999999999999	4.79999999999999982	3.77000000000000002	-5.32000000000000028	0.00253000000000000013	4.74000000000000036e-06	Moderately soluble	-6.70999999999999996	0.000103999999999999994	1.96000000000000008e-07	Poorly soluble	-4.87999999999999989	0.00698999999999999969	1.30999999999999999e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-6.34999999999999964	1	3	0	0	0	0.550000000000000044
1059	316.350000000000023	C18H20O5	\N	\N	1	O=C1O[C@H]2[C@@H](/C/1=C\\O[C@@H]1OC(=O)C(=C1)C)CC1=C2[C@@H](C)CCC1	23	0	0.560000000000000053	2	5	0	82.4200000000000017	61.8299999999999983	3.12000000000000011	2.20000000000000018	2.7799999999999998	2.56000000000000005	2.74000000000000021	2.68000000000000016	-3.06000000000000005	0.278000000000000025	0.000880000000000000031	Soluble	-3.12999999999999989	0.233000000000000013	0.000737000000000000025	Soluble	-2.62000000000000011	0.757000000000000006	0.0023900000000000002	Soluble	High	Yes	No	No	No	Yes	No	No	-6.66999999999999993	0	0	0	0	0	0.560000000000000053
1060	303.360000000000014	C19H17N3O	\N	\N	1	O=C1c2ccccc2N([C@H]2N1CCc1c2[nH]c2c1cccc2)C	23	15	0.209999999999999992	0	1	1	97.6700000000000017	39.3400000000000034	2.22999999999999998	3.10000000000000009	2.22999999999999998	3.16000000000000014	2.79000000000000004	2.70000000000000018	-4.16000000000000014	0.0212000000000000001	6.98000000000000026e-05	Moderately soluble	-3.58999999999999986	0.0772000000000000047	0.000255000000000000018	Soluble	-5.61000000000000032	0.000747999999999999967	2.47000000000000007e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-5.95000000000000018	0	0	0	0	0	0.550000000000000044
1061	300.439999999999998	C20H28O2	\N	\N	1	C=Cc1c2CC[C@H]3[C@@](c2cc(c1C)O)(C)CC[C@H](C3(C)C)O	22	6	0.599999999999999978	1	2	2	93.269999999999996	40.4600000000000009	3.20999999999999996	5.20000000000000018	4.24000000000000021	3.89999999999999991	4.88999999999999968	4.29000000000000004	-5.11000000000000032	0.00230999999999999999	7.67999999999999931e-06	Moderately soluble	-5.79999999999999982	0.000480000000000000012	1.59999999999999993e-06	Moderately soluble	-4.96999999999999975	0.00324999999999999985	1.07999999999999999e-05	Moderately soluble	High	Yes	No	No	No	Yes	Yes	No	-4.44000000000000039	0	0	0	0	1	0.550000000000000044
1062	804.870000000000005	C38H60O18	\N	\N	1	OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	56	0	0.92000000000000004	10	18	11	188.259999999999991	294.980000000000018	1.81000000000000005	-1.19999999999999996	-2.93999999999999995	-3.06000000000000005	-2.41999999999999993	-1.56000000000000005	-3.41000000000000014	0.309999999999999998	0.00038499999999999998	Soluble	-4.5	0.025399999999999999	3.16000000000000024e-05	Moderately soluble	1.64999999999999991	35800	44.5	Soluble	Low	No	Yes	No	No	No	No	No	-12.0600000000000005	3	4	1	1	4	0.170000000000000012
1064	312.449999999999989	C20H28N2O	\N	\N	1	O=C1C[C@@H](CC[C@H]1C)C(NCCc1c[nH]c2c1cccc2)(C)C	23	9	0.550000000000000044	5	2	2	97.0699999999999932	44.8900000000000006	3.04000000000000004	3.49000000000000021	4.08000000000000007	2.85000000000000009	4.70000000000000018	3.62999999999999989	-3.93999999999999995	0.0362999999999999989	0.000116000000000000001	Soluble	-4.12000000000000011	0.0240000000000000005	7.66999999999999941e-05	Moderately soluble	-6.42999999999999972	0.000116000000000000001	3.70000000000000004e-07	Poorly soluble	High	Yes	Yes	No	No	No	Yes	Yes	-5.73000000000000043	0	0	0	0	0	0.550000000000000044
1065	614.809999999999945	C36H54O8	\N	\N	1	OC[C@]12O[C@H]1[C@H]1[C@H]3O[C@@]45O[C@]1([C@H]1[C@@]([C@@H]2O)(O)C(=O)[C@H]([C@@H]1CCCCCCCCCCCCC/C=C\\5)C)[C@@H](C[C@@]3(O4)C(=C)C)C	44	0	0.859999999999999987	2	8	3	167.639999999999986	117.980000000000004	4.71999999999999975	7.24000000000000021	5.12000000000000011	2.75	4.16999999999999993	4.79999999999999982	-8.08000000000000007	5.1000000000000003e-06	8.29999999999999988e-09	Poorly soluble	-9.53999999999999915	1.7700000000000001e-07	2.86999999999999991e-10	Poorly soluble	-4.65000000000000036	0.0137999999999999998	2.25000000000000014e-05	Moderately soluble	Low	No	Yes	No	No	No	No	No	-4.91000000000000014	1	3	0	0	2	0.550000000000000044
1066	314.420000000000016	C20H26O3	\N	\N	1	CC(C1=CC2=CC(=O)[C@@H]3[C@](C2=C(C1=O)O)(C)CCCC3(C)C)C	23	0	0.599999999999999978	1	3	1	91.9399999999999977	54.3699999999999974	3.12999999999999989	4.09999999999999964	4.30999999999999961	2.66999999999999993	4.08999999999999986	3.66000000000000014	-4.30999999999999961	0.0154999999999999999	4.94000000000000014e-05	Moderately soluble	-4.95000000000000018	0.0035500000000000002	1.13000000000000002e-05	Moderately soluble	-4.15000000000000036	0.0221000000000000016	7.00999999999999963e-05	Moderately soluble	High	Yes	No	No	Yes	Yes	No	Yes	-5.30999999999999961	0	0	0	0	0	0.550000000000000044
1067	316.430000000000007	C20H28O3	\N	\N	1	O[C@H]1C=C2C=C(C(C)C)C(=O)C(=C2[C@@]2([C@@H]1C(C)(C)CCC2)C)O	23	0	0.650000000000000022	1	3	2	92.9000000000000057	57.5300000000000011	3.14000000000000012	4.04999999999999982	4.09999999999999964	2.75999999999999979	3.5	3.50999999999999979	-4.29000000000000004	0.0162999999999999985	5.16000000000000006e-05	Moderately soluble	-4.95999999999999996	0.00344999999999999994	1.09000000000000007e-05	Moderately soluble	-3.45999999999999996	0.110000000000000001	0.000348000000000000002	Soluble	High	Yes	Yes	No	Yes	Yes	No	Yes	-5.34999999999999964	0	0	0	0	0	0.550000000000000044
1068	528.629999999999995	C30H40O8	\N	\N	1	CCCCC/C=C/C=C/[C@@]12O[C@H]3[C@@](O1)(C[C@H]([C@@]1(O2)[C@H]3[C@@H]2O[C@@]2([C@H]([C@]2([C@H]1C=C(C2=O)C)O)O)CO)C)C(=C)C	38	0	0.699999999999999956	8	8	3	139.960000000000008	117.980000000000004	3.95999999999999996	3.56000000000000005	2.87000000000000011	1.46999999999999997	4.44000000000000039	3.25999999999999979	-4.83000000000000007	0.00777999999999999959	1.46999999999999999e-05	Moderately soluble	-5.71999999999999975	0.00100000000000000002	1.8899999999999999e-06	Moderately soluble	-3.45000000000000018	0.189000000000000001	0.000357000000000000004	Soluble	High	No	Yes	No	No	No	No	No	-7	1	3	0	0	0	0.550000000000000044
1069	598.67999999999995	C36H38O8	\N	\N	1	O=C(Cc1ccc(cc1)O)OCC1=C[C@H]2[C@H]3O[C@]4(O[C@]2([C@H]2[C@@](C1)(O)C(=O)C(=C2)C)[C@@H](C[C@@]3(O4)C(=C)C)C)Cc1ccccc1	44	12	0.440000000000000002	8	8	2	162.539999999999992	111.519999999999996	4.57000000000000028	4.54000000000000004	4.74000000000000021	3.18999999999999995	5.53000000000000025	4.50999999999999979	-6.08999999999999986	0.000491000000000000008	8.20999999999999953e-07	Poorly soluble	-6.59999999999999964	0.00014899999999999999	2.49000000000000019e-07	Poorly soluble	-7.76999999999999957	1.02000000000000006e-05	1.7e-08	Poorly soluble	High	No	Yes	No	No	Yes	No	Yes	-6.73000000000000043	1	3	0	0	0	0.550000000000000044
1071	358.430000000000007	C20H26N2O4	\N	\N	1	CC[C@H]1N[C@@H]2[C@@H]3[C@H]1C[C@H]([C@]1(C2)c2ccc(cc2N(C1=O)OC)OC)OC3	26	6	0.650000000000000022	3	5	1	103.629999999999995	60.0300000000000011	3.14999999999999991	1.8899999999999999	1.25	2.02000000000000002	1.72999999999999998	2.00999999999999979	-3.22999999999999998	0.212999999999999995	0.000595000000000000043	Soluble	-2.77000000000000002	0.603999999999999981	0.0016900000000000001	Soluble	-4.00999999999999979	0.0345999999999999988	9.66000000000000035e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-7.13999999999999968	0	0	0	0	0	0.550000000000000044
1072	360.399999999999977	C20H24O6	\N	\N	1	O=C1OCC2=C1CC[C@]1([C@H]2C[C@H]2[C@@]3([C@@]41O[C@H]4[C@@H]1O[C@@]1([C@H]3O)C(C)C)O2)C	26	0	0.849999999999999978	1	6	1	88.5400000000000063	84.1200000000000045	2.91000000000000014	0.220000000000000001	1.10000000000000009	1.26000000000000001	3.04999999999999982	1.70999999999999996	-2.14999999999999991	2.56999999999999984	0.00713000000000000005	Soluble	-1.55000000000000004	10.3000000000000007	0.0284000000000000016	Very soluble	-2.50999999999999979	1.12000000000000011	0.00310999999999999992	Soluble	High	No	Yes	No	No	No	No	No	-8.33999999999999986	0	0	0	0	0	0.550000000000000044
1073	338.480000000000018	C20H34O4	\N	\N	1	OC/C=C/1\\CC[C@H]([C@](OC1)(C)CCC[C@H](C(=O)CC=C(C)C)C)O	24	0	0.75	8	4	2	98.8400000000000034	66.7600000000000051	3.25999999999999979	2.25	3.56999999999999984	1.98999999999999999	4.50999999999999979	3.12000000000000011	-2.83000000000000007	0.503000000000000003	0.00149	Soluble	-3.29000000000000004	0.173999999999999988	0.00051500000000000005	Soluble	-3.54999999999999982	0.0945000000000000007	0.000279000000000000005	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.76999999999999957	0	0	0	0	0	0.550000000000000044
1074	340.279999999999973	C15H16O9	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3oc(=O)ccc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O	24	10	0.400000000000000022	3	9	5	78.6500000000000057	149.819999999999993	1.56000000000000005	-0.609999999999999987	-1.32000000000000006	-1.47999999999999998	-0.719999999999999973	-0.510000000000000009	-1.67999999999999994	7.17999999999999972	0.0211000000000000007	Very soluble	-2.06000000000000005	2.93000000000000016	0.00861999999999999919	Soluble	-0.819999999999999951	50.8999999999999986	0.149999999999999994	Soluble	Low	No	No	No	No	No	No	No	-8.8100000000000005	0	1	1	1	0	0.550000000000000044
1075	322.399999999999977	C20H22N2O2	\N	\N	1	C=C[C@]12CN([C@H]3[C@@H]2[C@]2([C@H]4C[C@@H]1[C@@H]3CO4)C(=O)Nc1c2cccc1)C	24	6	0.550000000000000044	1	3	1	98.0100000000000051	41.5700000000000003	2.74000000000000021	1.78000000000000003	1.08000000000000007	2.49000000000000021	2.37000000000000011	2.08999999999999986	-3.08000000000000007	0.269000000000000017	0.000832999999999999973	Soluble	-2.27000000000000002	1.72999999999999998	0.00534999999999999972	Soluble	-4.08000000000000007	0.0265999999999999986	8.23999999999999971e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-7	0	0	0	0	0	0.550000000000000044
1077	246.259999999999991	C14H14O4	\N	\N	1	O=c1ccc2c(o1)c1C[C@@H](Oc1cc2)C(O)(C)C	18	10	0.359999999999999987	1	4	1	67.4500000000000028	59.6700000000000017	2.39000000000000012	1.90999999999999992	1.87000000000000011	1.60000000000000009	2.7799999999999998	2.10999999999999988	-2.91999999999999993	0.298999999999999988	0.00121999999999999995	Soluble	-2.79000000000000004	0.403000000000000025	0.00163999999999999996	Soluble	-3.93000000000000016	0.0292000000000000003	0.000119000000000000006	Soluble	High	Yes	No	No	No	No	No	No	-6.45000000000000018	0	0	0	0	0	0.550000000000000044
1078	518.700000000000045	C33H38N6	\N	\N	1	CN1CC[C@]2([C@@H]1Nc1c2cccc1)c1cccc2c1N[C@H]1[C@@]2(CCN1C)[C@@]12CCN([C@@H]1Nc1c2cccc1)C	39	18	0.450000000000000011	2	3	3	177.539999999999992	45.8100000000000023	3.66000000000000014	5.73000000000000043	1.55000000000000004	4.50999999999999979	3.27000000000000002	3.75	-6.87999999999999989	6.90999999999999991e-05	1.33000000000000013e-07	Poorly soluble	-6.45999999999999996	0.000180000000000000011	3.47000000000000023e-07	Poorly soluble	-9.14000000000000057	3.78000000000000023e-07	7.28999999999999964e-10	Poorly soluble	High	Yes	No	No	No	No	No	Yes	-5.40000000000000036	2	3	0	0	2	0.170000000000000012
1079	310.430000000000007	C20H26N2O	\N	\N	1	CC[C@H]1C[C@H]2CN3[C@@H]1[C@@H](C2)c1[nH]c2c(c1CC3)cc(cc2)OC	23	9	0.599999999999999978	2	2	1	98.4500000000000028	28.2600000000000016	3.29999999999999982	3.91999999999999993	3.56000000000000005	3.20999999999999996	3.85000000000000009	3.56999999999999984	-4.38999999999999968	0.0126000000000000001	4.05999999999999975e-05	Moderately soluble	-4.20999999999999996	0.0189999999999999995	6.12999999999999992e-05	Moderately soluble	-5.08999999999999986	0.0025200000000000001	8.11000000000000028e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-5.41000000000000014	0	0	0	0	0	0.550000000000000044
1080	280.410000000000025	C19H24N2	\N	\N	1	CC[C@H]1C[C@H]2CN3[C@@H]1[C@@H](C2)c1[nH]c2c(c1CC3)cccc2	21	9	0.57999999999999996	1	1	1	91.9599999999999937	19.0300000000000011	2.97999999999999998	3.95000000000000018	3.54999999999999982	3.58999999999999986	3.83000000000000007	3.58000000000000007	-4.32000000000000028	0.0134999999999999998	4.80999999999999969e-05	Moderately soluble	-4.04999999999999982	0.0250000000000000014	8.91999999999999998e-05	Moderately soluble	-4.98000000000000043	0.00295999999999999996	1.06000000000000002e-05	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-5.20999999999999996	0	0	0	0	0	0.550000000000000044
1081	352.29000000000002	C19H12O7	\N	\N	1	COc1cc2cc(Oc3ccc4c(c3)oc(=O)cc4)c(=O)oc2cc1O	26	20	0.0500000000000000028	3	7	1	93.5600000000000023	99.1099999999999994	2.87000000000000011	3.25	3.41000000000000014	1.78000000000000003	3.52000000000000002	2.9700000000000002	-4.44000000000000039	0.0126999999999999995	3.61000000000000033e-05	Moderately soluble	-5.00999999999999979	0.00348000000000000002	9.88000000000000027e-06	Moderately soluble	-6.58999999999999986	8.96999999999999984e-05	2.54999999999999994e-07	Poorly soluble	High	No	No	Yes	No	Yes	No	No	-6.13999999999999968	0	0	0	0	0	0.550000000000000044
1082	810.970000000000027	C46H58N4O9	\N	\N	1	COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(C[C@@H]2CN(CCc5c1[nH]c1c5cccc1)C[C@@](C2)(O)CC)C(=O)OC)CCN1[C@@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1	59	15	0.589999999999999969	10	11	3	232.52000000000001	154.099999999999994	5.08999999999999986	3.87999999999999989	2.85000000000000009	2.35000000000000009	4.71999999999999975	3.7799999999999998	-6.83999999999999986	0.000116999999999999998	1.43999999999999992e-07	Poorly soluble	-6.80999999999999961	0.000125000000000000003	1.54000000000000003e-07	Poorly soluble	-8.46000000000000085	2.79999999999999987e-06	3.44999999999999987e-09	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-8.49000000000000021	2	3	1	1	4	0.170000000000000012
1083	808.960000000000036	C46H56N4O9	\N	\N	1	CC[C@@]12CN3CCc4c([C@@](C[C@@H]([C@H]2O1)C3)(C(=O)OC)c1cc2c(cc1OC)N([C@@H]1[C@@]32CCN2[C@@H]3[C@@](CC)(C=CC2)[C@H]([C@]1(O)C(=O)OC)OC(=O)C)C)[nH]c1c4cccc1	59	15	0.589999999999999969	10	11	2	230.330000000000013	146.400000000000006	5.46999999999999975	3.89999999999999991	2.85999999999999988	2.35000000000000009	5.03000000000000025	3.91999999999999993	-6.83999999999999986	0.000116999999999999998	1.43999999999999992e-07	Poorly soluble	-6.66999999999999993	0.000172000000000000007	2.12999999999999988e-07	Poorly soluble	-8.53999999999999915	2.31999999999999981e-06	2.86000000000000005e-09	Poorly soluble	Low	No	Yes	No	No	No	No	Yes	-8.47000000000000064	2	3	1	1	3	0.170000000000000012
1085	289.370000000000005	C17H23NO3	\N	\N	1	COc1ccc(cc1OC)[C@]12CCC(=O)C[C@@H]2N(CC1)C	21	6	0.589999999999999969	3	4	0	85.5100000000000051	38.7700000000000031	2.83999999999999986	1.96999999999999997	2.02000000000000002	1.73999999999999999	3.0299999999999998	2.31999999999999984	-2.89000000000000012	0.373999999999999999	0.00128999999999999991	Soluble	-2.41000000000000014	1.12999999999999989	0.00388999999999999979	Soluble	-4.24000000000000021	0.016799999999999999	5.81999999999999984e-05	Moderately soluble	High	Yes	No	No	No	No	Yes	No	-6.66999999999999993	0	0	0	0	0	0.550000000000000044
1086	291.389999999999986	C17H25NO3	\N	\N	1	COc1ccc(cc1OC)[C@]12CC[C@H](C[C@@H]2N(CC1)C)O	21	6	0.650000000000000022	3	4	1	86.480000000000004	41.9299999999999997	3.54999999999999982	2.39000000000000012	1.81000000000000005	1.83000000000000007	2.43999999999999995	2.39999999999999991	-3.16999999999999993	0.19900000000000001	0.000683000000000000013	Soluble	-2.91000000000000014	0.356999999999999984	0.00122999999999999997	Soluble	-3.54000000000000004	0.0840000000000000052	0.000288000000000000007	Soluble	High	Yes	No	No	No	No	Yes	No	-6.37999999999999989	0	0	0	0	0	0.550000000000000044
1087	246.310000000000002	C17H14N2	\N	\N	1	Cc1nccc2c1cc1c3ccccc3[nH]c1c2C	19	17	0.119999999999999996	0	1	1	81.0400000000000063	28.6799999999999997	2.37999999999999989	4.33000000000000007	4.49000000000000021	3	5.00999999999999979	3.83999999999999986	-4.75999999999999979	0.0043099999999999996	1.74999999999999985e-05	Moderately soluble	-4.65000000000000036	0.00555999999999999984	2.26000000000000005e-05	Moderately soluble	-7.04000000000000004	2.2399999999999999e-05	9.08000000000000057e-08	Poorly soluble	High	Yes	Yes	Yes	Yes	No	Yes	Yes	-4.73000000000000043	0	0	0	0	0	0.550000000000000044
1088	264.279999999999973	C16H12N2O2	\N	\N	1	OCc1ccc(o1)c1nccc2c1[nH]c1c2cccc1	20	18	0.0599999999999999978	2	3	2	77.4300000000000068	62.0499999999999972	2.35999999999999988	2.22999999999999998	3.31999999999999984	1.02000000000000002	3.81000000000000005	2.54999999999999982	-3.41999999999999993	0.101000000000000006	0.000382000000000000015	Soluble	-3.16999999999999993	0.178999999999999992	0.000679000000000000025	Soluble	-6.15000000000000036	0.000187999999999999989	7.09999999999999978e-07	Poorly soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.33000000000000007	0	0	0	0	0	0.550000000000000044
1089	262.300000000000011	C14H18N2O3	\N	\N	1	CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCO[C@@H]1N2C	19	6	0.5	3	3	1	74.4000000000000057	50.7999999999999972	2.39999999999999991	1.3899999999999999	1.47999999999999998	1.79000000000000004	1.32000000000000006	1.67999999999999994	-2.37999999999999989	1.10000000000000009	0.00419000000000000015	Soluble	-2.06000000000000005	2.2799999999999998	0.0086999999999999994	Soluble	-3.24000000000000021	0.150999999999999995	0.00057499999999999999	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.91000000000000014	0	0	0	0	0	0.550000000000000044
1090	863.149999999999977	C55H62N10	\N	\N	1	CN1CC[C@@]2([C@@H]1Nc1c2cccc1)c1cccc2c1N[C@@H]1[C@]2(CCN1C)c1cccc2c1N[C@H]1[C@@]2(CCN1C)[C@]12CCN([C@H]1Nc1c2cccc1[C@@]12CCN([C@@H]1Nc1c2cccc1)C)C	65	30	0.450000000000000011	4	5	5	294.699999999999989	76.3499999999999943	5.25999999999999979	9.35999999999999943	2.39000000000000012	5.94000000000000039	5.08000000000000007	5.61000000000000032	-11.1699999999999999	5.89000000000000013e-09	6.82999999999999978e-12	Insoluble	-10.8699999999999992	1.17000000000000005e-08	1.36000000000000002e-11	Insoluble	-14.9399999999999995	9.95999999999999997e-13	1.14999999999999995e-15	Insoluble	High	Yes	Yes	No	No	No	No	Yes	-4.91999999999999993	2	3	0	0	3	0.170000000000000012
1092	287.319999999999993	C18H13N3O	\N	\N	1	O=c1c2ccccc2nc2n1CCc1c2[nH]c2c1cccc2	22	19	0.110000000000000001	0	2	1	87.4099999999999966	50.6799999999999997	2.50999999999999979	3.0299999999999998	3.10000000000000009	3.14999999999999991	3.70999999999999996	3.10000000000000009	-4.16999999999999993	0.0195	6.77000000000000057e-05	Moderately soluble	-3.75999999999999979	0.0500000000000000028	0.000174000000000000001	Soluble	-6.36000000000000032	0.000126	4.39e-07	Poorly soluble	High	Yes	Yes	Yes	No	No	No	Yes	-5.90000000000000036	0	0	0	0	0	0.550000000000000044
1093	310.389999999999986	C19H22N2O2	\N	\N	1	OC[C@H]1[C@@H]2Cc3c([C@H]4N2C/C(=C/C)/[C@@H]1C4)[nH]c1c3cc(O)cc1	23	9	0.469999999999999973	1	3	3	94.6700000000000017	59.490000000000002	2.16000000000000014	1.72999999999999998	2.02000000000000002	2.04000000000000004	2.66000000000000014	2.12000000000000011	-3.08000000000000007	0.259000000000000008	0.000836000000000000046	Soluble	-2.60000000000000009	0.787000000000000033	0.00254000000000000016	Soluble	-3.56000000000000005	0.0845000000000000057	0.000271999999999999998	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.96999999999999975	0	0	0	0	0	0.550000000000000044
1094	272.339999999999975	C19H16N2	\N	\N	1	C1CCc2c(C1)cc1n(c2)ccc2c1nc1c2cccc1	21	17	0.209999999999999992	0	1	0	87.6400000000000006	17.3000000000000007	3.31000000000000005	4.34999999999999964	4.51999999999999957	3.74000000000000021	4.29000000000000004	4.04000000000000004	-4.87000000000000011	0.00369000000000000014	1.34999999999999995e-05	Moderately soluble	-4.42999999999999972	0.0102000000000000007	3.72999999999999986e-05	Moderately soluble	-6.54000000000000004	7.76000000000000024e-05	2.85000000000000024e-07	Poorly soluble	High	Yes	Yes	Yes	Yes	No	No	Yes	-4.87000000000000011	0	0	0	0	0	0.550000000000000044
1095	348.399999999999977	C21H20N2O3	\N	\N	1	COC(=O)C1=CO[C@H]([C@@H]2[C@@H]1Cc1n(C2)ccc2c1nc1c2cccc1)C	26	13	0.330000000000000016	2	4	0	99.5900000000000034	53.3500000000000014	3.31000000000000005	2.58000000000000007	3.45000000000000018	2.20999999999999996	2.7799999999999998	2.87000000000000011	-3.85999999999999988	0.0476999999999999993	0.000136999999999999996	Soluble	-3.35000000000000009	0.156	0.000447999999999999993	Soluble	-4.91999999999999993	0.00413999999999999958	1.18999999999999996e-05	Moderately soluble	High	Yes	No	No	Yes	No	Yes	Yes	-6.58999999999999986	0	0	0	0	0	0.560000000000000053
1096	216.280000000000001	C13H16N2O	\N	\N	1	COc1ccc2c(c1)[nH]c1c2CCN[C@@H]1C	16	9	0.380000000000000004	1	2	2	68.9399999999999977	37.0499999999999972	2.20000000000000018	1.8600000000000001	1.67999999999999994	1.5	3.0299999999999998	2.04999999999999982	-2.70000000000000018	0.428999999999999992	0.00197999999999999999	Soluble	-2.25999999999999979	1.18999999999999995	0.00549999999999999968	Soluble	-4.45999999999999996	0.00755000000000000029	3.49000000000000013e-05	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	No	-6.29999999999999982	0	0	0	0	0	0.550000000000000044
1097	336.430000000000007	C21H24N2O2	\N	\N	1	COC(=O)C1=C2Nc3c([C@@]42[C@@H]2[C@@](C1)(CC)C=CCN2CC4)cccc3	25	6	0.479999999999999982	3	3	1	104.450000000000003	41.5700000000000003	3.2200000000000002	3.37000000000000011	2.27000000000000002	3.04000000000000004	2.91999999999999993	2.95999999999999996	-4.03000000000000025	0.0315000000000000002	9.35999999999999983e-05	Moderately soluble	-3.91999999999999993	0.0403000000000000025	0.000120000000000000003	Soluble	-4.91000000000000014	0.00410999999999999994	1.22000000000000001e-05	Moderately soluble	High	Yes	Yes	No	Yes	Yes	Yes	Yes	-5.95999999999999996	0	0	0	0	0	0.550000000000000044
1098	614.82000000000005	C40H46N4O2	\N	\N	1	OC/C=C\\1/C[N@+]2(C)CC[C@@]34[C@@H]2C[C@@H]1C1=CN2c5ccccc5[C@]56[C@@H]2C(=CN([C@H]31)c1c4cccc1)[C@H]1C[C@@H]6[N@@+](CC5)(C/C/1=C/CO)C	46	12	0.5	2	2	2	197.639999999999986	46.9399999999999977	-5.03000000000000025	1.78000000000000003	2.83999999999999986	-3.16999999999999993	2.89000000000000012	-0.140000000000000013	-4.83000000000000007	0.00899999999999999932	1.46000000000000008e-05	Moderately soluble	-2.37999999999999989	2.54000000000000004	0.00412999999999999999	Soluble	-8.03999999999999915	5.60999999999999965e-06	9.11999999999999994e-09	Poorly soluble	High	Yes	Yes	No	No	No	No	No	-8.78999999999999915	1	3	0	0	2	0.550000000000000044
1099	475.620000000000005	C29H37N3O3	\N	\N	1	CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1c2cc(cc1)O)cc(c(c3)OC)OC	35	15	0.520000000000000018	5	5	3	147.949999999999989	69.75	4.05999999999999961	4.61000000000000032	3.70000000000000018	2.87999999999999989	4.88999999999999968	4.03000000000000025	-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
1101	380.439999999999998	C22H24N2O4	\N	\N	1	CN1CC[C@@]23C(=O)C[C@H]4C(=CCO[C@@H]5[C@H]4[C@@H]2N(c2c3cccc2O)C(=O)C5)C1	28	6	0.550000000000000044	0	5	1	110.200000000000003	70.0799999999999983	2.70000000000000018	-0.0700000000000000067	0.849999999999999978	1.47999999999999998	1.44999999999999996	1.28000000000000003	-2.31000000000000005	1.85000000000000009	0.00485999999999999974	Soluble	-0.949999999999999956	42.7000000000000028	0.112000000000000002	Very soluble	-3.31000000000000005	0.188	0.000493999999999999973	Soluble	High	No	Yes	No	No	No	Yes	No	-8.66999999999999993	0	0	0	0	0	0.550000000000000044
1102	354.439999999999998	C21H26N2O3	\N	\N	1	COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1	26	9	0.569999999999999951	2	4	2	104.019999999999996	65.5600000000000023	3.00999999999999979	2.93999999999999995	1.93999999999999995	2.20999999999999996	2.43000000000000016	2.50999999999999979	-4.00999999999999979	0.0342999999999999972	9.68999999999999972e-05	Moderately soluble	-3.97999999999999998	0.037199999999999997	0.000105000000000000004	Soluble	-3.9700000000000002	0.0376000000000000015	0.000106000000000000002	Soluble	High	Yes	Yes	No	No	No	Yes	No	-6.37000000000000011	0	0	0	0	0	0.550000000000000044
1103	570.539999999999964	C26H34O14	\N	\N	1	OC[C@H]1O[C@@H](OC([C@@H]2Oc3c(C2)cc2c(c3)oc(=O)cc2)(C)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O	40	10	0.650000000000000022	7	14	7	132.219999999999999	217.969999999999999	2.37999999999999989	-1.82000000000000006	-2.47999999999999998	-2.64999999999999991	-1.42999999999999994	-1.19999999999999996	-1.94999999999999996	6.34999999999999964	0.0111000000000000005	Very soluble	-2.24000000000000021	3.2799999999999998	0.0057499999999999999	Soluble	-0.450000000000000011	202	0.354999999999999982	Soluble	Low	No	Yes	No	No	No	No	No	-11.0700000000000003	3	4	1	1	3	0.170000000000000012
1104	328.360000000000014	C19H20O5	\N	\N	1	O=C(C=C(C)C)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C	24	10	0.369999999999999996	3	5	0	91.1299999999999955	65.7399999999999949	3.56999999999999984	3.93000000000000016	3.37999999999999989	2.64000000000000012	4.05999999999999961	3.52000000000000002	-4.45999999999999996	0.0112999999999999993	3.44999999999999983e-05	Moderately soluble	-5.00999999999999979	0.00321000000000000018	9.76999999999999963e-06	Moderately soluble	-5.24000000000000021	0.00187999999999999994	5.7300000000000002e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	No	Yes	-5.50999999999999979	0	0	0	0	0	0.550000000000000044
1105	388.410000000000025	C21H24O7	\N	\N	1	CC(CC(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc1c2oc(=O)cc1)C	28	10	0.479999999999999982	6	7	0	102.510000000000005	92.0400000000000063	3.41000000000000014	3.2200000000000002	3.20000000000000018	2.29000000000000004	3.83000000000000007	3.18999999999999995	-4.15000000000000036	0.0277999999999999983	7.16000000000000057e-05	Moderately soluble	-4.83000000000000007	0.00581000000000000006	1.48999999999999996e-05	Moderately soluble	-5.41000000000000014	0.00151000000000000006	3.89999999999999993e-06	Moderately soluble	High	No	No	No	Yes	Yes	No	Yes	-6.37999999999999989	0	0	0	0	0	0.550000000000000044
1106	426.45999999999998	C24H26O7	\N	\N	1	CC(=CC(=O)O[C@@H]1c2c(ccc3c2oc(=O)cc3)OC([C@@H]1OC(=O)C=C(C)C)(C)C)C	31	10	0.380000000000000004	6	7	0	115.980000000000004	92.0400000000000063	3.95999999999999996	4.83999999999999986	4.07000000000000028	2.79000000000000004	4.55999999999999961	4.04000000000000004	-5.37999999999999989	0.00178999999999999992	4.21000000000000035e-06	Moderately soluble	-6.50999999999999979	0.000133000000000000007	3.11999999999999988e-07	Poorly soluble	-5.49000000000000021	0.00137999999999999993	3.2399999999999999e-06	Moderately soluble	High	No	No	No	Yes	Yes	No	Yes	-5.46999999999999975	0	0	0	0	0	0.550000000000000044
1108	178.139999999999986	C9H6O4	\N	\N	1	O=c1ccc2c(o1)cc(c(c2)O)O	13	10	0	0	4	2	46.5300000000000011	70.6700000000000017	1.25	1.21999999999999997	1.19999999999999996	0.450000000000000011	1.45999999999999996	1.12000000000000011	-2.2799999999999998	0.930000000000000049	0.00521999999999999981	Soluble	-2.29999999999999982	0.890000000000000013	0.0050000000000000001	Soluble	-2.45999999999999996	0.618999999999999995	0.00348000000000000002	Soluble	High	No	No	Yes	No	No	No	No	-6.51999999999999957	0	1	0	0	1	0.550000000000000044
1109	340.279999999999973	C15H16O9	\N	\N	1	OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O	24	10	0.400000000000000022	3	9	5	78.6500000000000057	149.819999999999993	1.33000000000000007	-0.609999999999999987	-1.32000000000000006	-1.47999999999999998	-0.719999999999999973	-0.560000000000000053	-1.67999999999999994	7.17999999999999972	0.0211000000000000007	Very soluble	-2.06000000000000005	2.93000000000000016	0.00861999999999999919	Soluble	-0.819999999999999951	50.8999999999999986	0.149999999999999994	Soluble	Low	No	No	No	No	No	No	No	-8.8100000000000005	0	1	1	1	0	0.550000000000000044
1110	208.169999999999987	C10H8O5	\N	\N	1	COc1cc2ccc(=O)oc2c(c1O)O	15	10	0.100000000000000006	1	5	2	53.0200000000000031	79.9000000000000057	1.52000000000000002	1.16999999999999993	1.20999999999999996	0.200000000000000011	1.44999999999999996	1.1100000000000001	-2.29999999999999982	1.06000000000000005	0.00506999999999999985	Soluble	-2.43999999999999995	0.75	0.0035999999999999999	Soluble	-2.60000000000000009	0.528000000000000025	0.00254000000000000016	Soluble	High	No	No	No	No	No	No	No	-6.74000000000000021	0	0	0	0	0	0.550000000000000044
1111	370.310000000000002	C16H18O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2c(O)c(OC)cc3c2oc(=O)cc3)[C@@H]([C@@H]([C@@H]1O)O)O	26	10	0.440000000000000002	4	10	5	85.1400000000000006	159.050000000000011	1.81000000000000005	-0.630000000000000004	-1.31000000000000005	-1.72999999999999998	-0.660000000000000031	-0.510000000000000009	-1.76000000000000001	6.44000000000000039	0.0173999999999999988	Very soluble	-2.24000000000000021	2.14000000000000012	0.00579000000000000001	Soluble	-0.930000000000000049	43.2999999999999972	0.117000000000000007	Soluble	Low	No	No	No	No	No	No	No	-9.00999999999999979	0	1	1	1	1	0.550000000000000044
1112	314.379999999999995	C19H22O4	\N	\N	1	C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(O)(C)C)(C)C	23	10	0.419999999999999984	3	4	1	91.0499999999999972	59.6700000000000017	3.4700000000000002	3.87000000000000011	3.33000000000000007	2.74000000000000021	4.48000000000000043	3.58000000000000007	-4.34999999999999964	0.0140000000000000003	4.45999999999999999e-05	Moderately soluble	-4.82000000000000028	0.00476000000000000034	1.50999999999999994e-05	Moderately soluble	-5.16999999999999993	0.00211999999999999992	6.72999999999999994e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	Yes	No	-5.46999999999999975	0	0	0	0	0	0.550000000000000044
1114	270.279999999999973	C16H14O4	\N	\N	1	CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C	20	13	0.190000000000000002	3	4	0	77.5	52.5799999999999983	3.04999999999999982	3.5	3.87999999999999989	2.14000000000000012	3.99000000000000021	3.31000000000000005	-4	0.0268000000000000009	9.90999999999999965e-05	Moderately soluble	-4.29000000000000004	0.0138999999999999992	5.16000000000000006e-05	Moderately soluble	-5.50999999999999979	0.000832999999999999973	3.08000000000000016e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	No	-5.45999999999999996	0	0	0	0	0	0.550000000000000044
1116	222.189999999999998	C11H10O5	\N	\N	1	COc1cc(OC)c2c(c1O)oc(=O)cc2	16	10	0.179999999999999993	2	5	1	57.490000000000002	68.9000000000000057	2.04999999999999982	1.5	1.52000000000000002	0.489999999999999991	1.93999999999999995	1.5	-2.49000000000000021	0.713999999999999968	0.00321000000000000018	Soluble	-2.54999999999999982	0.619999999999999996	0.00278999999999999995	Soluble	-3.29999999999999982	0.112000000000000002	0.000501999999999999951	Soluble	High	Yes	No	Yes	No	No	No	No	-6.58999999999999986	0	0	0	0	0	0.550000000000000044
1117	328.360000000000014	C19H20O5	\N	\N	1	CC(=CC(=O)OC([C@H]1Oc2c(C1)c1oc(=O)ccc1cc2)(C)C)C	24	10	0.369999999999999996	4	5	0	91.1299999999999955	65.7399999999999949	3.47999999999999998	3.93000000000000016	3.37999999999999989	2.64000000000000012	4.04999999999999982	3.5	-4.40000000000000036	0.0131999999999999999	4.02000000000000014e-05	Moderately soluble	-5.00999999999999979	0.00321000000000000018	9.76999999999999963e-06	Moderately soluble	-5.01999999999999957	0.00310999999999999992	9.48000000000000071e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	Yes	-5.50999999999999979	0	0	0	0	0	0.550000000000000044
1118	258.269999999999982	C15H14O4	\N	\N	1	COc1c2OC(C)(C)C=Cc2cc2c1oc(=O)cc2	19	10	0.270000000000000018	1	4	0	73.0999999999999943	48.6700000000000017	2.79000000000000004	2.79999999999999982	2.87999999999999989	2.04000000000000004	3.33000000000000007	2.77000000000000002	-3.5299999999999998	0.0763999999999999957	0.000295999999999999985	Soluble	-3.47999999999999998	0.0858000000000000013	0.000331999999999999993	Soluble	-4.61000000000000032	0.00636999999999999979	2.47000000000000007e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	No	No	-5.88999999999999968	0	0	0	0	0	0.550000000000000044
1119	310.430000000000007	C20H26N2O	\N	\N	1	CC[C@H]1C[C@H]2CN3[C@@H]1[C@@H](C2)c1[nH]c2c(c1CC3)ccc(c2)OC	23	9	0.599999999999999978	2	2	1	98.4500000000000028	28.2600000000000016	3.29000000000000004	3.91999999999999993	3.56000000000000005	3.20999999999999996	3.85000000000000009	3.56000000000000005	-4.38999999999999968	0.0126000000000000001	4.05999999999999975e-05	Moderately soluble	-4.20999999999999996	0.0189999999999999995	6.12999999999999992e-05	Moderately soluble	-5.08999999999999986	0.0025200000000000001	8.11000000000000028e-06	Moderately soluble	High	Yes	Yes	No	No	No	Yes	No	-5.41000000000000014	0	0	0	0	0	0.550000000000000044
1120	406.470000000000027	C25H26O5	\N	\N	1	CC(CC(=O)c1c(O)c2c(cc(=O)oc2c(c1O)CC=C(C)C)c1ccccc1)C	30	16	0.280000000000000027	6	5	2	120.299999999999997	87.7399999999999949	3.54999999999999982	5.79999999999999982	5.61000000000000032	3.18000000000000016	6.20000000000000018	4.87000000000000011	-6.00999999999999979	0.000395000000000000006	9.71000000000000105e-07	Poorly soluble	-7.41000000000000014	1.56999999999999988e-05	3.87000000000000024e-08	Poorly soluble	-7.33999999999999986	1.86000000000000015e-05	4.56999999999999989e-08	Poorly soluble	High	No	No	No	Yes	Yes	No	Yes	-4.66000000000000014	0	1	0	0	1	0.550000000000000044
1121	246.259999999999991	C14H14O4	\N	\N	1	O=c1ccc2c(o1)cc1c(c2)C[C@H](O1)C(O)(C)C	18	10	0.359999999999999987	1	4	1	67.4500000000000028	59.6700000000000017	2.54999999999999982	1.90999999999999992	1.87000000000000011	1.60000000000000009	2.7799999999999998	2.14000000000000012	-2.91999999999999993	0.298999999999999988	0.00121999999999999995	Soluble	-2.79000000000000004	0.403000000000000025	0.00163999999999999996	Soluble	-3.93000000000000016	0.0292000000000000003	0.000119000000000000006	Soluble	High	Yes	No	Yes	No	No	No	No	-6.45000000000000018	0	0	0	0	0	0.550000000000000044
1123	246.259999999999991	C14H14O4	\N	\N	1	O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C	18	10	0.359999999999999987	1	4	1	67.4500000000000028	59.6700000000000017	2.27000000000000002	1.90999999999999992	1.87000000000000011	1.60000000000000009	2.7799999999999998	2.08999999999999986	-2.91999999999999993	0.298999999999999988	0.00121999999999999995	Soluble	-2.79000000000000004	0.403000000000000025	0.00163999999999999996	Soluble	-3.93000000000000016	0.0292000000000000003	0.000119000000000000006	Soluble	High	Yes	No	No	No	No	No	No	-6.45000000000000018	0	0	0	0	0	0.550000000000000044
1439	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
1124	408.399999999999977	C20H24O9	\N	\N	1	OC[C@H]1O[C@@H](OC([C@@H]2Oc3c(C2)cc2c(c3)oc(=O)cc2)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	29	10	0.550000000000000044	4	9	4	99.8299999999999983	138.819999999999993	2.24000000000000021	0.320000000000000007	-0.309999999999999998	-0.560000000000000053	0.67000000000000004	0.469999999999999973	-2.56000000000000005	1.1100000000000001	0.0027200000000000002	Soluble	-2.79999999999999982	0.650000000000000022	0.00159000000000000005	Soluble	-2.22999999999999998	2.39999999999999991	0.00587000000000000022	Soluble	Low	No	No	No	No	No	No	No	-8.5600000000000005	0	0	0	1	0	0.550000000000000044
1125	244.289999999999992	C15H16O3	\N	\N	1	COc1ccc2c(c1CC=C(C)C)oc(=O)cc2	18	10	0.270000000000000018	3	3	0	72.7000000000000028	39.4399999999999977	2.93000000000000016	3.81000000000000005	3.31000000000000005	2.62999999999999989	4.03000000000000025	3.33999999999999986	-3.9700000000000002	0.0263000000000000005	0.000107999999999999996	Soluble	-4.33000000000000007	0.0112999999999999993	4.6400000000000003e-05	Moderately soluble	-5.00999999999999979	0.00237000000000000014	9.68000000000000049e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	No	-5.08999999999999986	0	0	0	0	0	0.550000000000000044
1126	298.379999999999995	C19H22O3	\N	\N	1	C/C(=C\\Cc1cc2ccc(=O)oc2cc1O)/CCC=C(C)C	22	10	0.320000000000000007	5	3	1	91.7900000000000063	50.4399999999999977	3.58999999999999986	5.33999999999999986	4.73000000000000043	3.50999999999999979	5.12000000000000011	4.45999999999999996	-5.05999999999999961	0.00259999999999999988	8.69999999999999971e-06	Moderately soluble	-6.15000000000000036	0.000210000000000000009	7.05000000000000026e-07	Poorly soluble	-5.58000000000000007	0.00078100000000000001	2.6199999999999999e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	No	-4.33000000000000007	0	0	0	0	1	0.550000000000000044
1127	286.279999999999973	C16H14O5	\N	\N	1	O=c1ccc2c(o1)cc1c(c2OC[C@@H]2OC2(C)C)cco1	21	13	0.309999999999999998	3	5	0	76.980000000000004	65.1099999999999994	3	2.24000000000000021	3.10000000000000009	1.3899999999999999	3.87999999999999989	2.7200000000000002	-3.29000000000000004	0.147999999999999993	0.00051699999999999999	Soluble	-3.24000000000000021	0.164000000000000007	0.000572000000000000026	Soluble	-5.45999999999999996	0.000981000000000000101	3.43000000000000019e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-6.45999999999999996	0	0	0	0	0	0.550000000000000044
1128	258.269999999999982	C15H14O4	\N	\N	1	COc1c(oc2c1cc1ccc(=O)oc1c2)C(C)C	19	13	0.270000000000000018	2	4	0	73.3299999999999983	52.5799999999999983	2.95999999999999996	3.45000000000000018	3.66999999999999993	1.96999999999999997	3.91000000000000014	3.18999999999999995	-3.99000000000000021	0.0264999999999999993	0.000102999999999999996	Soluble	-4.24000000000000021	0.0149999999999999994	5.81999999999999984e-05	Moderately soluble	-5.45999999999999996	0.000906000000000000013	3.50999999999999985e-06	Moderately soluble	High	Yes	No	Yes	Yes	Yes	No	No	-5.42999999999999972	0	0	0	0	0	0.550000000000000044
1129	386.399999999999977	C21H22O7	\N	\N	1	CC(=O)O[C@@H]1c2c(O[C@@H]1C(OC(=O)C=C(C)C)(C)C)ccc1c2oc(=O)cc1	28	10	0.380000000000000004	6	7	0	102.030000000000001	92.0400000000000063	3.25	3.39999999999999991	3.12000000000000011	2.2200000000000002	3.66999999999999993	3.12999999999999989	-4.25	0.0218999999999999993	5.67999999999999983e-05	Moderately soluble	-5.00999999999999979	0.00375999999999999989	9.72000000000000011e-06	Moderately soluble	-4.83000000000000007	0.00574000000000000031	1.48999999999999996e-05	Moderately soluble	High	No	No	No	Yes	Yes	No	Yes	-6.24000000000000021	0	0	0	0	0	0.550000000000000044
1131	496.639999999999986	C30H40O6	\N	\N	1	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]([C@H]1C2=C(C)[C@H]2[C@@H]1[C@@H]1[C@@H]3[C@]2(C(=C1)C)[C@H]1OC(=O)[C@H]([C@@H]1CC[C@]3(C)O)C)(C)O	36	0	0.800000000000000044	0	6	2	135.289999999999992	93.0600000000000023	3.47999999999999998	2.24000000000000021	3.79999999999999982	3.95000000000000018	3.2200000000000002	3.33999999999999986	-4.33000000000000007	0.0231999999999999984	4.66999999999999967e-05	Moderately soluble	-3.83000000000000007	0.0734999999999999959	0.000147999999999999992	Soluble	-3.93999999999999995	0.0575000000000000025	0.000116000000000000001	Soluble	High	No	Yes	No	No	No	No	No	-7.74000000000000021	0	3	0	0	0	0.550000000000000044
1132	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	2.33000000000000007	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
1133	398.829999999999984	C19H23ClO7	\N	\N	1	ClC[C@](C(=O)O[C@H]1CC(=C)[C@H]2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)[C@]1([C@H](C2)O)OC1)(O)C	27	0	0.680000000000000049	4	7	2	94.8900000000000006	105.590000000000003	1.56000000000000005	0.560000000000000053	0.709999999999999964	1.09000000000000008	2.14000000000000012	1.20999999999999996	-2.39999999999999991	1.58000000000000007	0.00396999999999999957	Soluble	-2.35000000000000009	1.78000000000000003	0.00447000000000000001	Soluble	-2.14999999999999991	2.85000000000000009	0.00713999999999999965	Soluble	High	No	Yes	No	No	No	No	Yes	-8.33999999999999986	0	0	0	0	0	0.550000000000000044
1134	232.319999999999993	C15H20O2	\N	\N	1	C[C@H]1CCC[C@]2(C1=C[C@H]1[C@@H](C2)OC(=O)C1=C)C	17	0	0.67000000000000004	0	2	0	67.9500000000000028	26.3000000000000007	2.70999999999999996	3.37999999999999989	3.24000000000000021	3.35000000000000009	3.25	3.18999999999999995	-3.41000000000000014	0.0903999999999999942	0.000389000000000000023	Soluble	-3.60999999999999988	0.0568999999999999992	0.000244999999999999992	Soluble	-3.04999999999999982	0.205999999999999989	0.000885000000000000044	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.32000000000000028	0	0	0	0	0	0.550000000000000044
1135	350.410000000000025	C19H26O6	\N	\N	1	OCC1=CCCC(=C[C@@H]2[C@@H]([C@H](C1)OC(=O)C(C)C)C(=C)C(=O)O2)CO	25	0	0.57999999999999996	5	6	2	92.6899999999999977	93.0600000000000023	2.75999999999999979	0.979999999999999982	1.66999999999999993	1.57000000000000006	2.18000000000000016	1.83000000000000007	-2.29999999999999982	1.76000000000000001	0.0050099999999999997	Soluble	-2.52000000000000002	1.05000000000000004	0.00300000000000000006	Soluble	-2.16999999999999993	2.35000000000000009	0.00670999999999999982	Soluble	High	No	Yes	No	No	No	No	No	-7.74000000000000021	0	0	0	0	0	0.550000000000000044
1137	246.300000000000011	C15H18O3	\N	\N	1	C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C2=C	18	0	0.599999999999999978	0	3	0	68.1500000000000057	43.3699999999999974	2.0299999999999998	1.03000000000000003	2.2799999999999998	2.37999999999999989	2.5299999999999998	2.04999999999999982	-2.02000000000000002	2.37000000000000011	0.00963999999999999926	Soluble	-1.53000000000000003	7.25999999999999979	0.0294999999999999984	Very soluble	-2.49000000000000021	0.797000000000000042	0.00323999999999999982	Soluble	High	Yes	No	No	No	No	No	No	-7.07000000000000028	0	0	0	0	0	0.550000000000000044
1138	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	2.12999999999999989	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
1139	328.310000000000002	C15H20O8	\N	\N	1	O=C1O[C@@H]2C[C@@]3([C@H]1O)[C@H](C)C[C@H]([C@@]3([C@@]1([C@@]2(C)O)COC1=O)O)O	23	0	0.869999999999999996	0	8	4	72.5400000000000063	133.52000000000001	1.12999999999999989	-1.8899999999999999	-1.90999999999999992	-0.699999999999999956	-0.380000000000000004	-0.75	-0.680000000000000049	67.7999999999999972	0.20699999999999999	Very soluble	-0.390000000000000013	133	0.404000000000000026	Very soluble	-0.220000000000000001	198	0.60299999999999998	Soluble	Low	No	Yes	No	No	No	No	No	-9.64000000000000057	0	1	0	1	0	0.550000000000000044
1140	250.330000000000013	C15H22O3	\N	\N	1	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@](C)(O)CCC1)C	18	0	0.800000000000000044	0	3	1	69.6299999999999955	46.5300000000000011	2.54999999999999982	2.79000000000000004	2.43999999999999995	2.56000000000000005	2.75	2.62000000000000011	-3.14999999999999991	0.176999999999999991	0.000707999999999999971	Soluble	-3.41999999999999993	0.0943999999999999978	0.000377000000000000002	Soluble	-2.70999999999999996	0.484999999999999987	0.0019400000000000001	Soluble	High	Yes	No	No	No	No	No	No	-5.84999999999999964	0	0	0	0	0	0.550000000000000044
1141	548.620000000000005	C29H40O10	\N	\N	1	CC[C@H](C(=O)O[C@H]1C[C@](C)(OC(=O)C)[C@@H]2[C@H]([C@H]3[C@@H]1[C@](C)(OC(=O)C)C(=O)O3)C(=C[C@H]2OC(=O)/C(=C\\C)/C)C)C	39	0	0.689999999999999947	11	10	0	140.72999999999999	131.5	4.54000000000000004	3.75999999999999979	3.60000000000000009	2.81000000000000005	3.7799999999999998	3.70000000000000018	-4.87999999999999989	0.0071599999999999997	1.30999999999999999e-05	Moderately soluble	-6.20999999999999996	0.000335000000000000011	6.09999999999999983e-07	Poorly soluble	-3.72999999999999998	0.101999999999999993	0.000185999999999999995	Soluble	Low	No	No	No	No	No	Yes	No	-6.98000000000000043	1	3	1	0	0	0.550000000000000044
1142	350.410000000000025	C19H26O6	\N	\N	1	OCC1=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](CC(=CCC1)C)OC(=O)[C@@H](CO)C	25	0	0.57999999999999996	5	6	2	92.6899999999999977	93.0600000000000023	2.56000000000000005	1.01000000000000001	1.66999999999999993	1.57000000000000006	2.18000000000000016	1.80000000000000004	-2.31999999999999984	1.67999999999999994	0.00479999999999999958	Soluble	-2.54999999999999982	0.979999999999999982	0.00279999999999999997	Soluble	-2.16999999999999993	2.35000000000000009	0.00670999999999999982	Soluble	High	No	Yes	No	No	No	No	No	-7.71999999999999975	0	0	0	0	0	0.550000000000000044
1143	320.339999999999975	C17H20O6	\N	\N	1	CC(=O)O[C@H]1C[C@@H]2[C@@](C1=C)(O)C[C@H]1[C@H](C[C@]32CO3)OC(=O)C1=C	23	0	0.650000000000000022	2	6	1	79.3199999999999932	85.3599999999999994	2.54999999999999982	0.160000000000000003	0.890000000000000013	1.18999999999999995	2.16999999999999993	1.3899999999999999	-1.79000000000000004	5.13999999999999968	0.0160000000000000003	Very soluble	-1.51000000000000001	9.90000000000000036	0.0309000000000000004	Very soluble	-2.16000000000000014	2.22999999999999998	0.00696999999999999963	Soluble	High	No	No	No	No	No	No	No	-8.14000000000000057	0	0	0	0	0	0.550000000000000044
1145	246.300000000000011	C15H18O3	\N	\N	1	C=C1C(=O)O[C@@H]2[C@@H]1C[C@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C	18	0	0.599999999999999978	0	3	0	68.1500000000000057	43.3699999999999974	2.20000000000000018	1.16999999999999993	2.2799999999999998	2.37999999999999989	2.5299999999999998	2.10999999999999988	-2.10000000000000009	1.93999999999999995	0.00787000000000000026	Soluble	-1.67999999999999994	5.19000000000000039	0.0211000000000000007	Very soluble	-2.49000000000000021	0.797000000000000042	0.00323999999999999982	Soluble	High	Yes	No	No	No	No	No	No	-6.96999999999999975	0	0	0	0	0	0.550000000000000044
1146	248.319999999999993	C15H20O3	\N	\N	1	O=C1O[C@H]2[C@H]([C@@H]1C)CC[C@](C1=CCC(=C21)C)(C)O	18	0	0.67000000000000004	0	3	1	69.4099999999999966	46.5300000000000011	2.37999999999999989	0.979999999999999982	2.35999999999999988	2.4700000000000002	2.45000000000000018	2.12999999999999989	-2	2.5	0.0100999999999999996	Very soluble	-1.55000000000000004	7.08000000000000007	0.028500000000000001	Very soluble	-2.45000000000000018	0.887000000000000011	0.00356999999999999982	Soluble	High	Yes	No	No	No	No	No	No	-7.12000000000000011	0	0	0	0	0	0.550000000000000044
1147	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	2.20999999999999996	0.209999999999999992	0.550000000000000044	0.880000000000000004	2.06000000000000005	1.17999999999999994	-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
1148	304.339999999999975	C17H20O5	\N	\N	1	CC(=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)C	22	0	0.650000000000000022	2	5	0	78.1200000000000045	65.1299999999999955	2.41999999999999993	0.949999999999999956	1.90999999999999992	2	2.62999999999999989	1.97999999999999998	-2.18999999999999995	1.94999999999999996	0.0064099999999999999	Soluble	-1.89999999999999991	3.79000000000000004	0.0125000000000000007	Very soluble	-2.60000000000000009	0.763000000000000012	0.00251000000000000008	Soluble	High	Yes	No	No	No	No	No	No	-7.48000000000000043	0	0	0	0	0	0.550000000000000044
1149	264.319999999999993	C15H20O4	\N	\N	1	OCC1=C[C@@H](O)[C@H]2[C@H](CC(=CCC1)C)OC(=O)C2=C	19	0	0.530000000000000027	1	4	2	72.1800000000000068	66.7600000000000051	2.12999999999999989	0.609999999999999987	1.48999999999999999	1.53000000000000003	1.71999999999999997	1.5	-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
1151	386.399999999999977	C21H22O7	\N	\N	1	C/C=C(\\C(=O)O[C@@H]1c2c(ccc3c2oc(=O)cc3)OC([C@@H]1OC(=O)C)(C)C)/C	28	10	0.380000000000000004	5	7	0	102.030000000000001	92.0400000000000063	3.29999999999999982	3.14999999999999991	3.12000000000000011	2.2200000000000002	3.66999999999999993	3.08999999999999986	-4.15000000000000036	0.0270999999999999991	7.00999999999999963e-05	Moderately soluble	-4.75	0.00683000000000000013	1.76999999999999999e-05	Moderately soluble	-5.04999999999999982	0.00346999999999999999	8.97000000000000052e-06	Moderately soluble	High	No	No	No	Yes	Yes	No	Yes	-6.41999999999999993	0	0	0	0	0	0.550000000000000044
1152	356.410000000000025	C21H24O5	\N	\N	1	C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C	26	10	0.429999999999999993	5	5	0	100.790000000000006	65.7399999999999949	3.66999999999999993	4.44000000000000039	3.89999999999999991	3.08999999999999986	4.98000000000000043	4.01999999999999957	-4.79999999999999982	0.00562999999999999959	1.58000000000000012e-05	Moderately soluble	-5.54000000000000004	0.0010300000000000001	2.88999999999999986e-06	Moderately soluble	-5.79999999999999982	0.000568999999999999953	1.59999999999999993e-06	Moderately soluble	High	Yes	No	No	Yes	Yes	No	Yes	-5.32000000000000028	0	0	0	0	0	0.550000000000000044
1153	424.399999999999977	C20H24O10	\N	\N	1	OC[C@H]1O[C@@H](Oc2c3O[C@@H](Cc3cc3c2oc(=O)cc3)C(O)(C)C)[C@@H]([C@H]([C@@H]1O)O)O	30	10	0.550000000000000044	4	10	5	101.590000000000003	159.050000000000011	1.93999999999999995	-0.25	-0.949999999999999956	-1.06000000000000005	0.200000000000000011	-0.0299999999999999989	-2.29999999999999982	2.14000000000000012	0.0050499999999999998	Soluble	-2.62999999999999989	0.990999999999999992	0.00233000000000000004	Soluble	-1.6399999999999999	9.67999999999999972	0.0228000000000000008	Soluble	Low	No	No	No	No	No	No	No	-9.07000000000000028	0	1	1	1	1	0.550000000000000044
1154	386.399999999999977	C21H22O7	\N	\N	1	CC(=O)O[C@@H]1c2c(ccc3c2oc(=O)cc3)OC([C@@H]1OC(=O)C=C(C)C)(C)C	28	10	0.380000000000000004	5	7	0	102.030000000000001	92.0400000000000063	3.49000000000000021	3.39999999999999991	3.12000000000000011	2.2200000000000002	3.66999999999999993	3.18000000000000016	-4.30999999999999961	0.0188000000000000007	4.88000000000000003e-05	Moderately soluble	-5.00999999999999979	0.00375999999999999989	9.72000000000000011e-06	Moderately soluble	-5.04999999999999982	0.00346999999999999999	8.97000000000000052e-06	Moderately soluble	High	No	No	No	Yes	Yes	No	Yes	-6.24000000000000021	0	0	0	0	0	0.550000000000000044
1155	206.189999999999998	C11H10O4	\N	\N	1	COc1cc2oc(=O)ccc2cc1OC	15	10	0.179999999999999993	2	4	0	55.4699999999999989	48.6700000000000017	2.22999999999999998	1.70999999999999996	1.81000000000000005	1.05000000000000004	2.41999999999999993	1.84000000000000008	-2.56000000000000005	0.571999999999999953	0.00276999999999999989	Soluble	-2.35000000000000009	0.926000000000000045	0.00449000000000000007	Soluble	-3.87000000000000011	0.0275999999999999995	0.000134000000000000005	Soluble	High	Yes	No	Yes	No	No	No	No	-6.33999999999999986	0	0	0	0	0	0.550000000000000044
1156	228.240000000000009	C14H12O3	\N	\N	1	CC1(C)C=Cc2c(O1)ccc1c2oc(=O)cc1	17	10	0.209999999999999992	0	3	0	66.6099999999999994	39.4399999999999977	2.66000000000000014	2.83000000000000007	2.87000000000000011	2.37000000000000011	3.31999999999999984	2.81000000000000005	-3.4700000000000002	0.0767999999999999933	0.000335999999999999981	Soluble	-3.31999999999999984	0.110000000000000001	0.000482999999999999977	Soluble	-4.48000000000000043	0.00749000000000000013	3.27999999999999977e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	No	No	-5.67999999999999972	0	0	0	0	0	0.550000000000000044
1158	228.240000000000009	C14H12O3	\N	\N	1	Cc1cc2c(o1)c(C)c1c(c2)c(C)cc(=O)o1	17	13	0.209999999999999992	0	3	0	67.1500000000000057	43.3500000000000014	2.7200000000000002	3.14000000000000012	3.45999999999999996	2.29000000000000004	4.32000000000000028	3.18999999999999995	-3.79999999999999982	0.036200000000000003	0.000158999999999999989	Soluble	-3.7200000000000002	0.043499999999999997	0.000191000000000000008	Soluble	-5.66999999999999993	0.00048799999999999999	2.13999999999999984e-06	Moderately soluble	High	Yes	No	Yes	Yes	No	No	No	-5.45999999999999996	0	0	0	0	0	0.550000000000000044
1159	162.139999999999986	C9H6O3	\N	\N	1	Oc1ccc2c(c1)oc(=O)cc2	12	10	0	0	3	1	44.509999999999998	50.4399999999999977	1.43999999999999995	1.58000000000000007	1.5	1.04000000000000004	1.96999999999999997	1.51000000000000001	-2.45999999999999996	0.565999999999999948	0.00349000000000000005	Soluble	-2.25	0.912000000000000033	0.00562	Soluble	-3.0299999999999998	0.152999999999999997	0.00094200000000000002	Soluble	High	Yes	No	Yes	No	No	No	No	-6.16999999999999993	0	1	0	0	1	0.550000000000000044
1182	234.330000000000013	C15H22O2	\N	\N	1	C[C@H]1CCC[C@H]2[C@]1(C)C[C@@]1(C2)C(=O)OCC1=C	17	0	0.800000000000000044	0	2	0	68.1700000000000017	26.3000000000000007	2.79000000000000004	3.5	3.31999999999999984	3.43999999999999995	3.66000000000000014	3.33999999999999986	-3.5	0.0744999999999999968	0.000317999999999999978	Soluble	-3.74000000000000021	0.0430999999999999994	0.000184	Soluble	-3.52000000000000002	0.0705999999999999961	0.000300999999999999998	Soluble	High	Yes	No	No	Yes	Yes	No	No	-5.24000000000000021	0	0	0	0	0	0.550000000000000044
1160	388.410000000000025	C21H24O7	\N	\N	1	CC[C@H](C(=O)O[C@@H]1[C@H](OC(=O)C)c2c(OC1(C)C)ccc1c2oc(=O)cc1)C	28	10	0.479999999999999982	6	7	0	102.510000000000005	92.0400000000000063	3.43000000000000016	3.35000000000000009	3.20000000000000018	2.29000000000000004	3.83000000000000007	3.2200000000000002	-4.23000000000000043	0.0229999999999999996	5.92999999999999981e-05	Moderately soluble	-4.95999999999999996	0.0042599999999999999	1.09999999999999997e-05	Moderately soluble	-5.41000000000000014	0.00151000000000000006	3.89999999999999993e-06	Moderately soluble	High	No	No	No	Yes	Yes	No	Yes	-6.29000000000000004	0	0	0	0	0	0.550000000000000044
1161	228.240000000000009	C14H12O3	\N	\N	1	CC1(C)C=Cc2c(O1)cc1c(c2)ccc(=O)o1	17	10	0.209999999999999992	0	3	0	66.6099999999999994	39.4399999999999977	2.62000000000000011	2.83000000000000007	2.87000000000000011	2.37000000000000011	3.31999999999999984	2.79999999999999982	-3.4700000000000002	0.0767999999999999933	0.000335999999999999981	Soluble	-3.31999999999999984	0.110000000000000001	0.000482999999999999977	Soluble	-4.48000000000000043	0.00749000000000000013	3.27999999999999977e-05	Moderately soluble	High	Yes	No	Yes	Yes	No	No	No	-5.67999999999999972	0	0	0	0	0	0.550000000000000044
1162	322.350000000000023	C20H18O4	\N	\N	1	Oc1ccc2c(c1)O[C@@H](CC2=O)c1ccc2c(c1)C=CC(O2)(C)C	24	12	0.25	1	4	1	91.6500000000000057	55.759999999999998	2.95000000000000018	3.4700000000000002	3.85000000000000009	2.37999999999999989	3.93000000000000016	3.31999999999999984	-4.33000000000000007	0.0151000000000000006	4.69000000000000016e-05	Moderately soluble	-4.32000000000000028	0.0152999999999999994	4.75000000000000026e-05	Moderately soluble	-5.41000000000000014	0.00125000000000000003	3.88000000000000012e-06	Moderately soluble	High	Yes	Yes	Yes	Yes	Yes	Yes	Yes	-5.79999999999999982	0	0	0	0	0	0.550000000000000044
1163	408.490000000000009	C25H28O5	\N	\N	1	CC(=CCc1cc(cc(c1O)CC=C(C)C)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O)C	30	12	0.320000000000000007	5	5	3	119.010000000000005	86.9899999999999949	3.87000000000000011	6.37000000000000011	5.20000000000000018	2.81999999999999984	5.54999999999999982	4.75999999999999979	-6.34999999999999964	0.000182000000000000006	4.44999999999999975e-07	Poorly soluble	-7.99000000000000021	4.1999999999999996e-06	1.02999999999999996e-08	Poorly soluble	-5.87000000000000011	0.000550000000000000033	1.34999999999999999e-06	Moderately soluble	High	No	No	No	No	Yes	No	Yes	-4.26999999999999957	0	0	0	0	1	0.550000000000000044
1165	311.329999999999984	C18H17NO4	\N	\N	1	COc1cc2c(cc1O)C[C@H]1c3c2c2OCOc2cc3CCN1	23	12	0.330000000000000016	1	5	2	88.6500000000000057	59.9500000000000028	2.93999999999999995	2.45000000000000018	1.83000000000000007	1.91999999999999993	3.33999999999999986	2.5	-3.62999999999999989	0.0723000000000000032	0.000232000000000000001	Soluble	-3.35000000000000009	0.138000000000000012	0.000444000000000000004	Soluble	-5.12999999999999989	0.00232000000000000001	7.45999999999999973e-06	Moderately soluble	High	Yes	Yes	Yes	No	No	Yes	Yes	-6.45999999999999996	0	0	0	0	0	0.550000000000000044
1166	726.850000000000023	C42H50N2O9	\N	\N	1	COc1cc2c(cc1Oc1cc(OC)c(cc1C[C@@H]1N(C)CCc3c1cc(OC)c(c3)OC)OC)C[C@H]1c3c2c(OC)c(c(c3CCN1C)OC)OC	53	24	0.429999999999999993	12	11	0	210.960000000000008	89.5499999999999972	6.69000000000000039	6.65000000000000036	5.66000000000000014	2.62999999999999989	7.49000000000000021	5.83000000000000007	-8.08000000000000007	6.05999999999999958e-06	8.34000000000000056e-09	Poorly soluble	-8.33000000000000007	3.37999999999999983e-06	4.65000000000000028e-09	Poorly soluble	-11.5500000000000007	2.05000000000000016e-09	2.8200000000000001e-12	Insoluble	High	No	No	No	No	No	No	No	-6.00999999999999979	2	4	1	0	3	0.170000000000000012
1167	383.389999999999986	C21H21NO6	\N	\N	1	COc1cc2c(cc1OC)CCN([C@@H]2[C@H]1OC(=O)c2c1ccc1c2OCO1)C	28	12	0.380000000000000004	3	7	0	103.379999999999995	66.4599999999999937	3.29999999999999982	2.74000000000000021	1.84000000000000008	2	3.14000000000000012	2.60000000000000009	-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
1168	345.389999999999986	C19H23NO5	\N	\N	1	COC1=C(OC)[C@]23[C@](CC1=O)(CCN2)c1c(CC3)ccc(c1O)OC	25	6	0.530000000000000027	3	6	2	95.1500000000000057	77.019999999999996	2.83999999999999986	1.27000000000000002	1.40999999999999992	0.479999999999999982	2.85000000000000009	1.77000000000000002	-2.75999999999999979	0.598999999999999977	0.00172999999999999998	Soluble	-2.49000000000000021	1.12999999999999989	0.00325999999999999988	Soluble	-4.83000000000000007	0.00515999999999999966	1.48999999999999996e-05	Moderately soluble	High	No	Yes	No	No	No	No	No	-7.50999999999999979	0	0	0	0	0	0.560000000000000053
1169	480.600000000000023	C28H36N2O5	\N	\N	1	CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1CC1=C2C=C(OC)C(=O)C=C2CCN1)cc(c(c3O)OC)OC	35	6	0.540000000000000036	6	6	2	142.840000000000003	80.2600000000000051	3.75	3.60000000000000009	2.95000000000000018	1.69999999999999996	3.75	3.14999999999999991	-4.82000000000000028	0.00730000000000000007	1.52000000000000002e-05	Moderately soluble	-4.96999999999999975	0.00512000000000000042	1.06999999999999992e-05	Moderately soluble	-5.74000000000000021	0.000876999999999999958	1.81999999999999994e-06	Moderately soluble	High	No	Yes	No	No	No	No	Yes	-6.67999999999999972	0	3	0	0	0	0.550000000000000044
