path: root/cv/data/csv/FHM_constitutional.csv

SMILES,nB,naAromAtom,nAtomLC,nAtom,nAromBond,ALogP,nRotB,MLogP,XLogP,nAtomLAC,AMR,nHBDon,nAtomP,ALogp2
InChI%3D1S%2FC12H19N%2Fc1-8%282%2910-6-5-7-11%289%283%294%2912%2810%2913%2Fh5-9H%2C13H2%2C1-4H3,13.0,6.0,3.0,32.0,6.0,0.961300015449524,2.0,2.67000007629395,2.83299994468689,3.0,60.601001739502,1.0,7.0,0.924097716808319
InChI%3D1S%2FC10H8%2Fc1-2-6-10-8-4-3-7-9%2810%295-1%2Fh1-8H,11.0,10.0,0.0,18.0,11.0,1.94780004024506,0.0,2.55999994277954,3.22399997711182,0.0,49.1528015136719,0.0,10.0,3.7939248085022
InChI%3D1S%2FC14H9Cl5O%2Fc15-11-5-1-9%282-6-11%2913%2820%2C14%2817%2C18%2919%2910-3-7-12%2816%298-4-10%2Fh1-8%2C20H,21.0,12.0,6.0,29.0,12.0,4.09600019454956,3.0,2.33999991416931,3.36500000953674,2.0,94.7104034423828,1.0,6.0,16.7772159576416
InChI%3D1S%2FC8H17Br%2Fc1-2-3-4-5-6-7-8-9%2Fh2-8H2%2C1H3,8.0,0.0,9.0,26.0,0.0,-0.776300013065338,6.0,2.23000001907349,4.93900012969971,8.0,36.6795997619629,0.0,0.0,0.602641701698303
InChI%3D1S%2FC7H5NO4%2Fc9-4-5-3-6%2810%291-2-7%285%298%2811%2912%2Fh1-4%2C10H,12.0,6.0,2.0,17.0,6.0,-0.699299991130829,2.0,1.67999994754791,1.37100005149841,0.0,11.7442998886108,1.0,12.0,0.489020496606827
InChI%3D1S%2FC12H12N2O3%2Fc1-2-12%288-6-4-3-5-7-8%299%2815%2913-11%2817%2914-10%2812%2916%2Fh3-7H%2C2H2%2C1H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29,18.0,6.0,2.0,29.0,6.0,0.0842000022530556,2.0,2.23000001907349,2.11100006103516,2.0,64.2021026611328,2.0,8.0,0.00708964001387358
InChI%3D1S%2FC9H10O%2Fc1-2-5-8-6-3-4-7-9%288%2910%2Fh2-4%2C6-7%2C10H%2C1%2C5H2,10.0,6.0,3.0,20.0,6.0,1.67340004444122,2.0,2.33999991416931,1.98300004005432,3.0,46.2430000305176,1.0,7.0,2.80026745796204
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9-5-7%286-10%293-4-8%289%2911%2Fh3-6%2C11H%2C2H2%2C1H3,12.0,6.0,3.0,22.0,6.0,0.204099997878075,3.0,2.11999988555908,1.01199996471405,2.0,48.5723991394043,1.0,10.0,0.0416568107903004
InChI%3D1S%2FC6H12O%2Fc7-6-4-2-1-3-5-6%2Fh6-7H%2C1-5H2,7.0,0.0,0.0,19.0,0.0,-1.95070004463196,0.0,2.00999999046326,1.3289999961853,0.0,20.5205001831055,1.0,0.0,3.80523037910461
InChI%3D1S%2FC7H5ClO%2Fc8-7-3-1-6%285-9%292-4-7%2Fh1-5H,9.0,6.0,2.0,14.0,6.0,1.38409996032715,1.0,2.00999999046326,1.00699996948242,0.0,40.7458000183105,0.0,8.0,1.91573286056519
InChI%3D1S%2FC12H10S2%2Fc1-3-7-11%288-4-1%2913-14-12-9-5-2-6-10-12%2Fh1-10H,15.0,12.0,2.0,24.0,12.0,3.09439992904663,3.0,2.55999994277954,2.39199995994568,0.0,76.1539993286133,0.0,6.0,9.5753116607666
InChI%3D1S%2FC6H7N%2Fc1-6-3-2-4-7-5-6%2Fh2-5H%2C1H3,7.0,6.0,0.0,14.0,6.0,0.165000006556511,0.0,2.00999999046326,0.140000000596046,0.0,31.6683006286621,0.0,6.0,0.0272250007838011
InChI%3D1S%2FC6H7ClN.HI%2Fc1-8-5-3-2-4-6%288%297%3B%2Fh2-5H%2C1H3%3B1H%2Fq%2B1%3B%2Fp-1,8.0,0.0,0.0,17.0,6.0,,0.0,1.78999996185303,2.8989999294281,0.0,,1.0,0.0,
InChI%3D1S%2FC8H10O2%2Fc9-6-7-10-8-4-2-1-3-5-8%2Fh1-5%2C9H%2C6-7H2,10.0,6.0,4.0,20.0,6.0,0.365399986505508,3.0,2.11999988555908,0.558000028133392,2.0,43.8916015625,1.0,7.0,0.133517161011696
InChI%3D1S%2FC18H39O7P%2Fc1-4-7-10-20-13-16-23-26%2819%2C24-17-14-21-11-8-5-2%2925-18-15-22-12-9-6-3%2Fh4-18H2%2C1-3H3,25.0,0.0,26.0,65.0,0.0,-2.03069996833801,21.0,2.55999994277954,2.78999996185303,4.0,93.4414978027344,0.0,5.0,4.12374258041382
InChI%3D1S%2FC9H10O3%2Fc1-11-8-4-3-7%286-10%299%285-8%2912-2%2Fh3-6H%2C1-2H3,12.0,6.0,2.0,22.0,6.0,0.0182000007480383,3.0,2.11999988555908,0.910000026226044,0.0,49.3166007995605,0.0,10.0,0.000331240007653832
InChI%3D1S%2FC2Cl6%2Fc3-1%284%2C5%292%286%2C7%298,7.0,0.0,8.0,8.0,0.0,3.37639999389648,1.0,1.01999998092651,3.88199996948242,2.0,41.8779983520508,0.0,0.0,11.4000768661499
InChI%3D1S%2FC5H8F4O%2Fc1-4%282%2C10%295%288%2C9%293%286%297%2Fh3%2C10H%2C1-2H3,9.0,0.0,10.0,18.0,0.0,1.22920000553131,2.0,1.46000003814697,2.16799998283386,4.0,26.5454998016357,1.0,0.0,1.5109326839447
InChI%3D1S%2FC15H24O%2Fc1-10-8-11%2814%282%2C3%294%2913%2816%2912%289-10%2915%285%2C6%297%2Fh8-9%2C16H%2C1-7H3,16.0,6.0,3.0,40.0,6.0,4.00790023803711,2.0,3.0,4.46000003814697,0.0,72.6567001342773,1.0,7.0,16.0632629394531
InChI%3D1S%2FC6H6O2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C7-8H,8.0,6.0,0.0,14.0,6.0,0.277200013399124,0.0,1.89999997615814,1.08299994468689,0.0,34.1668014526367,2.0,8.0,0.076839841902256
InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3H%2C%28H2%2C10%2C11%29,11.0,6.0,3.0,16.0,6.0,1.86360001564026,1.0,1.78999996185303,1.90900003910065,0.0,47.6445007324219,2.0,9.0,3.47300505638123
InChI%3D1S%2FC19H12O6%2Fc20-16-10-5-1-3-7-14%2810%2924-18%2822%2912%2816%299-13-17%2821%2911-6-2-4-8-15%2811%2925-19%2813%2923%2Fh1-8%2C20-21H%2C9H2,28.0,12.0,0.0,41.0,12.0,0.0913999974727631,2.0,2.89000010490417,-0.104000002145767,0.0,94.7437973022461,2.0,9.0,0.00835395976901054
InChI%3D1S%2FC2H2ClN%2Fc3-1-2-4%2Fh1H2,3.0,0.0,4.0,6.0,0.0,0.577199995517731,0.0,1.46000003814697,0.26800000667572,2.0,16.37619972229,0.0,2.0,0.3331598341465
InChI%3D1S%2FC7H5NO4%2Fc9-6%2810%294-2-1-3-5%288-4%297%2811%2912%2Fh1-3H%2C%28H%2C9%2C10%29%28H%2C11%2C12%29,12.0,6.0,3.0,17.0,6.0,-0.203099995851517,2.0,1.67999994754791,-0.569000005722046,0.0,40.9314994812012,2.0,12.0,0.0412496104836464
InChI%3D1S%2FC12H10O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-9%2C13H,14.0,12.0,0.0,23.0,12.0,1.85249996185303,1.0,2.67000007629395,2.57100009918213,0.0,61.0769004821777,1.0,13.0,3.43175625801086
InChI%3D1S%2FC13H29NO4%2Fc1-6-15-12%2816-7-2%2910-14%285%2911-13%2817-8-3%2918-9-4%2Fh12-13H%2C6-11H2%2C1-5H3,17.0,0.0,18.0,47.0,0.0,1.19749999046326,12.0,2.33999991416931,1.34300005435944,2.0,70.8125,0.0,0.0,1.43400621414185
InChI%3D1S%2FC10H12O%2Fc1-8%282%2910-5-3-9%287-11%294-6-10%2Fh3-8H%2C1-2H3,11.0,6.0,3.0,23.0,6.0,1.39269995689392,2.0,2.45000004768372,2.42300009727478,3.0,49.0773010253906,0.0,8.0,1.93961334228516
InChI%3D1S%2FC7H14O%2Fc1-4-6%282%297%283%295-8%2Fh5-7H%2C4H2%2C1-3H3,7.0,0.0,8.0,22.0,0.0,-0.000899999984540045,3.0,2.11999988555908,2.52600002288818,5.0,32.9935989379883,0.0,1.0,8.10000017281709e-07
InChI%3D1S%2FC16H25NO2%2Fc1-3-4-5-6-7-10-13-19-16-12-9-8-11-15%2816%2917-14%282%2918%2Fh8-9%2C11-12H%2C3-7%2C10%2C13H2%2C1-2H3%2C%28H%2C17%2C18%29,19.0,6.0,9.0,44.0,6.0,-1.3811000585556,9.0,2.89000010490417,4.56300020217896,8.0,73.2116012573242,1.0,10.0,1.90743720531464
InChI%3D1S%2FC4H9Br%2Fc1-2-3-4-5%2Fh2-4H2%2C1H3,4.0,0.0,5.0,14.0,0.0,0.375699996948242,2.0,1.78999996185303,2.66300010681152,4.0,25.0331993103027,0.0,0.0,0.141150489449501
InChI%3D1S%2FC9H16O2%2Fc1-3-5-6-7-8-11-9%2810%294-2%2Fh4H%2C2-3%2C5-8H2%2C1H3,10.0,0.0,11.0,27.0,0.0,-0.57940000295639,7.0,2.23000001907349,3.02099990844727,6.0,38.6211013793945,0.0,5.0,0.335704356431961
InChI%3D1S%2FC10H22N2%2Fc1-9%282%2C11%298-4-6-10%283%2C12%297-5-8%2Fh8H%2C4-7%2C11-12H2%2C1-3H3,12.0,0.0,4.0,34.0,0.0,-0.0348000004887581,1.0,2.33999991416931,1.442999958992,3.0,50.8577003479004,2.0,0.0,0.00121103995479643
InChI%3D1S%2FC12H8F2O%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8H,16.0,12.0,0.0,23.0,12.0,1.5786999464035,2.0,2.45000004768372,1.97300004959106,0.0,62.4416999816895,0.0,13.0,2.4922935962677
InChI%3D1S%2FC5H10O%2Fc1-2-3-4-5-6%2Fh5H%2C2-4H2%2C1H3,5.0,0.0,6.0,16.0,0.0,-0.682299971580505,3.0,1.89999997615814,1.72500002384186,5.0,22.5650005340576,0.0,1.0,0.465533286333084
InChI%3D1S%2FC8H10N2O3%2Fc1-2-13-6-3-4-7%289%298%285-6%2910%2811%2912%2Fh3-5H%2C2%2C9H2%2C1H3,13.0,6.0,3.0,23.0,6.0,-0.597899973392487,3.0,1.78999996185303,2.49000000953674,2.0,18.7175006866455,1.0,11.0,0.357484400272369
InChI%3D1S%2FC8H18S2%2Fc1-9-7-5-3-4-6-8-10-2%2Fh3-8H2%2C1-2H3,9.0,0.0,10.0,28.0,0.0,0.256999999284744,7.0,2.11999988555908,3.71399998664856,6.0,48.0512008666992,0.0,0.0,0.0660490021109581
InChI%3D1S%2FC3H7Br%2Fc1-2-3-4%2Fh2-3H2%2C1H3,3.0,0.0,4.0,11.0,0.0,0.663699984550476,1.0,1.67999994754791,2.09400010108948,3.0,22.1215991973877,0.0,0.0,0.440497696399689
InChI%3D1S%2FC6H12%2Fc1-2-4-6-5-3-1%2Fh1-6H2,6.0,0.0,0.0,18.0,0.0,-1.72800004482269,0.0,2.11999988555908,3.41400003433228,0.0,17.4696006774902,0.0,0.0,2.98598408699036
InChI%3D1S%2FC3H5N%2Fc1-2-3-4%2Fh2H2%2C1H3,3.0,0.0,4.0,9.0,0.0,0.120800003409386,0.0,1.67999994754791,0.284000009298325,3.0,16.6464996337891,0.0,1.0,0.0145926401019096
InChI%3D1S%2FC5H4ClNO%2Fc6-5-4%288%292-1-3-7-5%2Fh1-3%2C8H,8.0,6.0,0.0,12.0,6.0,0.726499974727631,0.0,1.67999994754791,0.824000000953674,0.0,33.8956985473633,1.0,7.0,0.527802228927612
InChI%3D1S%2FC12H17NO%2Fc1-4-13%285-2%2912%2814%2911-8-6-7-10%283%299-11%2Fh6-9H%2C4-5H2%2C1-3H3,14.0,6.0,7.0,31.0,6.0,1.72479999065399,4.0,2.55999994277954,2.15199995040894,2.0,61.4402008056641,0.0,9.0,2.97493505477905
InChI%3D1S%2FC5H12O%2Fc1-5%282%2C3%296-4%2Fh1-4H3,5.0,0.0,6.0,18.0,0.0,0.981800019741058,1.0,1.89999997615814,1.32000005245209,0.0,26.8162994384766,0.0,0.0,0.963931262493134
InChI%3D1S%2FC12H10N2O%2Fc15-12-8-6-11%287-9-12%2914-13-10-4-2-1-3-5-10%2Fh1-9%2C15H%2Fb14-13-,16.0,12.0,2.0,25.0,12.0,1.35010004043579,2.0,2.45000004768372,2.50799989700317,0.0,62.1725006103516,1.0,15.0,1.82276999950409
InChI%3D1S%2FC4H6Cl2%2Fc1-4%282-5%293-6%2Fh1-3H2,5.0,0.0,6.0,12.0,0.0,2.02369999885559,2.0,1.67999994754791,1.47800004482269,3.0,29.5827007293701,0.0,2.0,4.09536170959473
InChI%3D1S%2FC10H19O6PS2%2Fc1-5-15-9%2811%297-8%2810%2812%2916-6-2%2919-17%2818%2C13-3%2914-4%2Fh8H%2C5-7H2%2C1-4H3,18.0,0.0,19.0,38.0,0.0,1.96410000324249,11.0,1.57000005245209,2.00699996948242,4.0,77.2726974487305,0.0,4.0,3.85768890380859
InChI%3D1S%2FC10H16%2Fc1-7-2-9-4-8%281%295-10%283-7%296-9%2Fh7-10H%2C1-6H2,12.0,0.0,0.0,26.0,0.0,-0.850000023841858,0.0,2.55999994277954,4.76599979400635,0.0,40.4035987854004,0.0,0.0,0.722500026226044
InChI%3D1S%2FC8H12N2%2Fc9-7-5-3-1-2-4-6-8-10%2Fh1-6H2,9.0,0.0,10.0,22.0,0.0,-1.01300001144409,5.0,2.11999988555908,1.36600005626678,8.0,33.1419982910156,0.0,2.0,1.02616894245148
InChI%3D1S%2FC8H6Cl2O%2Fc1-5%2811%297-3-2-6%289%294-8%287%2910%2Fh2-4H%2C1H3,11.0,6.0,3.0,17.0,6.0,1.69130003452301,1.0,2.00999999046326,1.76499998569489,2.0,49.9384994506836,0.0,8.0,2.86049580574036
InChI%3D1S%2FC6H12O%2Fc1-3-4-5-6%282%297%2Fh3-5H2%2C1-2H3,6.0,0.0,7.0,19.0,0.0,-0.743799984455109,3.0,2.00999999046326,1.57599997520447,6.0,27.0415000915527,0.0,1.0,0.553238451480865
InChI%3D1S%2FC12H11N%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10%2C13H,14.0,12.0,0.0,24.0,12.0,1.49279999732971,2.0,2.67000007629395,1.89400005340576,0.0,63.867000579834,1.0,13.0,2.2284517288208
InChI%3D1S%2FC9H12O%2Fc1-6-4-7%282%299%2810%298%283%295-6%2Fh4-5%2C10H%2C1-3H3,10.0,6.0,0.0,22.0,6.0,2.17950010299683,0.0,2.33999991416931,1.70000004768372,0.0,45.407299041748,1.0,7.0,4.75022029876709
InChI%3D1S%2FC8H19O2PS3%2Fc1-4-9-11%2812%2C10-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,13.0,0.0,14.0,33.0,0.0,3.03049993515015,9.0,1.67999994754791,4.16699981689453,2.0,72.6323013305664,0.0,4.0,9.18393039703369
InChI%3D1S%2FC12H16O%2Fc13-12-9-5-4-8-11%2812%2910-6-2-1-3-7-10%2Fh1-3%2C6-7%2C11-13H%2C4-5%2C8-9H2%2Ft11%3F%2C12-%2Fm1%2Fs1,14.0,6.0,0.0,29.0,6.0,-0.217399999499321,1.0,2.67000007629395,2.51300001144409,0.0,51.6875991821289,1.0,6.0,0.0472627617418766
InChI%3D1S%2FC9H9N%2Fc1-4-7-10%288-5-2%299-6-3%2Fh1-3H%2C7-9H2,9.0,0.0,10.0,19.0,0.0,2.34270000457764,3.0,2.33999991416931,0.866999983787537,3.0,40.3272018432617,0.0,2.0,5.48824310302734
InChI%3D1S%2FC4H11NO%2Fc1-2-5-3-4-6%2Fh5-6H%2C2-4H2%2C1H3,5.0,0.0,6.0,17.0,0.0,-0.504800021648407,3.0,1.67999994754791,-0.462000012397766,2.0,25.2794990539551,2.0,0.0,0.25482302904129
InChI%3D1S%2FC6H10%2Fc1-3-5-6-4-2%2Fh3-6H%2C1-2H3,5.0,0.0,6.0,16.0,0.0,1.81459999084473,1.0,2.11999988555908,3.00399994850159,6.0,32.1021995544434,0.0,4.0,3.29277324676514
InChI%3D1S%2FC8H18S2%2Fc1-7%282%2C3%299-10-8%284%2C5%296%2Fh1-6H3,9.0,0.0,10.0,28.0,0.0,3.24839997291565,3.0,2.11999988555908,3.66599988937378,3.0,54.5880012512207,0.0,0.0,10.5521020889282
InChI%3D1S%2FC13H8Cl2O2%2Fc14-12-5-4-11%287-13%2812%2915%2917-10-3-1-2-9%286-10%298-16%2Fh1-8H,18.0,12.0,2.0,25.0,12.0,2.1085000038147,3.0,2.45000004768372,2.5090000629425,0.0,76.6922988891602,0.0,15.0,4.44577217102051
InChI%3D1S%2FC10H15N%2Fc1-2-3-4-9-5-7-10%2811%298-6-9%2Fh5-8H%2C2-4%2C11H2%2C1H3,11.0,6.0,4.0,26.0,6.0,-0.451200008392334,3.0,2.45000004768372,2.52900004386902,4.0,49.8727989196777,1.0,7.0,0.203581437468529
InChI%3D1S%2FC14H18O4%2Fc1-3-17-13%2815%2912%2814%2816%2918-4-2%2910-11-8-6-5-7-9-11%2Fh5-9%2C12H%2C3-4%2C10H2%2C1-2H3,18.0,6.0,12.0,36.0,6.0,1.90750002861023,8.0,2.55999994277954,2.86299991607666,3.0,70.6763000488281,0.0,6.0,3.63855624198914
InChI%3D1S%2FC14H26O4%2Fc1-3-5-11-17-13%2815%299-7-8-10-14%2816%2918-12-6-4-2%2Fh3-12H2%2C1-2H3,17.0,0.0,18.0,44.0,0.0,-1.71480000019073,13.0,2.55999994277954,3.34800004959106,6.0,60.3731994628906,0.0,3.0,2.94053912162781
InChI%3D1S%2FC8H14O%2Fc1-7%282%295-4-6-8%283%299%2Fh5H%2C4%2C6H2%2C1-3H3,8.0,0.0,9.0,23.0,0.0,1.59270000457764,3.0,2.23000001907349,1.7960000038147,7.0,39.8740997314453,0.0,2.0,2.53669333457947
InChI%3D1S%2FC7H15Br%2Fc1-2-3-4-5-6-7-8%2Fh2-7H2%2C1H3,7.0,0.0,8.0,23.0,0.0,-0.488299995660782,5.0,2.11999988555908,4.36999988555908,7.0,33.7680015563965,0.0,0.0,0.23843689262867
InChI%3D1S%2FC15H24O%2Fc1-2-3-4-5-6-7-8-9-14-10-12-15%2816%2913-11-14%2Fh10-13%2C16H%2C2-9H2%2C1H3,16.0,6.0,9.0,40.0,6.0,-1.25759994983673,8.0,3.0,5.78499984741211,9.0,62.486499786377,1.0,7.0,1.5815577507019
InChI%3D1S%2FC8H9NO2%2Fc1-6%2810%299-7-4-2-3-5-8%287%2911%2Fh2-5%2C11H%2C1H3%2C%28H%2C9%2C10%29,11.0,6.0,4.0,20.0,6.0,0.321799993515015,1.0,2.00999999046326,0.61599999666214,2.0,45.7897987365723,2.0,10.0,0.103555239737034
InChI%3D1S%2FC5H10O%2Fc1-5%282%293-4-6%2Fh4-5H%2C3H2%2C1-2H3,5.0,0.0,6.0,16.0,0.0,0.415300011634827,2.0,1.89999997615814,1.66400003433228,4.0,25.1109008789062,0.0,1.0,0.172474086284637
InChI%3D1S%2FC17H19NO3%2Fc19-17%2818-10-4-1-5-11-18%297-3-2-6-14-8-9-15-16%2812-14%2921-13-20-15%2Fh2-3%2C6-9%2C12H%2C1%2C4-5%2C10-11%2C13H2%2Fb6-2-%2C7-3-,23.0,6.0,6.0,40.0,6.0,-0.635200023651123,4.0,2.89000010490417,2.51799988746643,5.0,82.0260009765625,0.0,15.0,0.403479039669037
InChI%3D1S%2FC9H10O4%2Fc1-12-6-3-8%2811%297%285-10%299%284-6%2913-2%2Fh3-5%2C11H%2C1-2H3,13.0,6.0,2.0,23.0,6.0,-0.544900000095367,3.0,2.00999999046326,1.25800001621246,0.0,50.9221000671387,1.0,11.0,0.296916007995605
InChI%3D1S%2FC5H4N2O3%2Fc8-4-2-1-3-6-5%284%297%289%2910%2Fh1-3%2C8H,10.0,6.0,2.0,14.0,6.0,-0.944000005722046,1.0,1.46000003814697,1.13800001144409,0.0,101.295303344727,1.0,10.0,0.891135990619659
InChI%3D1S%2FC13H13NO%2Fc14-12-7-4-8-13%289-12%2915-10-11-5-2-1-3-6-11%2Fh1-9H%2C10%2C14H2,16.0,12.0,2.0,28.0,12.0,0.825200021266937,3.0,2.67000007629395,1.65600001811981,0.0,69.9002990722656,1.0,8.0,0.680955052375793
InChI%3D1S%2FC12H27N%2Fc1-3-5-7-9-11-13-12-10-8-6-4-2%2Fh13H%2C3-12H2%2C1-2H3,12.0,0.0,13.0,40.0,0.0,-2.59859991073608,10.0,2.67000007629395,4.80000019073486,6.0,47.8146018981934,1.0,0.0,6.75272178649902
InChI%3D1S%2FC7H14N2O2S%2Fc1-7%282%2C12-4%295-9-11-6%2810%298-3%2Fh5H%2C1-4H3%2C%28H%2C8%2C10%29,11.0,0.0,12.0,26.0,0.0,1.48800003528595,4.0,1.67999994754791,2.26799988746643,3.0,50.0533981323242,1.0,6.0,2.21414399147034
InChI%3D1S%2FC8H16O%2Fc1-3-4-5-6-7-8%282%299%2Fh3-7H2%2C1-2H3,8.0,0.0,9.0,25.0,0.0,-1.31980001926422,5.0,2.23000001907349,2.71399998664856,8.0,32.8647003173828,0.0,1.0,1.74187207221985
InChI%3D1S%2FC4H8O%2Fc1-2-4-5-3-1%2Fh1-4H2,5.0,0.0,0.0,13.0,0.0,-0.706900000572205,0.0,1.78999996185303,0.526000022888184,0.0,16.86669921875,0.0,0.0,0.499707609415054
InChI%3D1S%2FC10H22S2%2Fc1-3-7-11-9-5-6-10-12-8-4-2%2Fh3-10H2%2C1-2H3,11.0,0.0,12.0,34.0,0.0,0.178200006484985,9.0,2.33999991416931,4.42999982833862,4.0,57.8796005249023,0.0,0.0,0.0317552387714386
InChI%3D1S%2FC6H8N2%2Fc7-5-3-1-2-4-6-8%2Fh1-4H2,7.0,0.0,8.0,16.0,0.0,-0.437000006437302,3.0,1.89999997615814,0.228000000119209,6.0,27.3187999725342,0.0,2.0,0.190969005227089
InChI%3D1S%2FC3HBr3N2%2Fc4-1-2%285%298-3%286%297-1%2Fh%28H%2C7%2C8%29,8.0,0.0,0.0,13.0,0.0,2.13579988479614,0.0,1.24000000953674,1.71099996566772,0.0,42.9810981750488,2.0,0.0,4.56164169311523
InChI%3D1S%2FC12H10O3%2Fc13-9-1-5-11%286-2-9%2915-12-7-3-10%2814%294-8-12%2Fh1-8%2C13-14H,16.0,12.0,0.0,25.0,12.0,0.63289999961853,2.0,2.45000004768372,1.5789999961853,0.0,65.397102355957,2.0,15.0,0.400562405586243
InChI%3D1S%2FC7H6O2%2Fc8-5-6-3-1-2-4-7%286%299%2Fh1-5%2C9H,9.0,6.0,2.0,15.0,6.0,0.452300012111664,1.0,2.00999999046326,0.989000022411346,0.0,37.6351013183594,1.0,9.0,0.204575285315514
InChI%3D1S%2FC7H5BrO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H,10.0,6.0,2.0,15.0,6.0,0.904999971389771,1.0,1.89999997615814,1.53100001811981,0.0,45.1693000793457,1.0,9.0,0.819024980068207
InChI%3D1S%2FC9H16O%2Fc1-5-9%284%2C10%297-6-8%282%293%2Fh1%2C8%2C10H%2C6-7H2%2C2-4H3,9.0,0.0,10.0,26.0,0.0,1.54330003261566,3.0,2.33999991416931,2.40899991989136,7.0,41.535701751709,1.0,2.0,2.38177490234375
InChI%3D1S%2FC7H8O%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5%2C8H%2C1H3,8.0,6.0,0.0,16.0,6.0,1.28670001029968,0.0,2.11999988555908,1.33800005912781,0.0,36.8432998657227,1.0,7.0,1.65559685230255
InChI%3D1S%2FC8H8O%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-6H%2C1H3,9.0,6.0,1.0,17.0,6.0,1.4617999792099,1.0,2.23000001907349,1.45500004291534,0.0,40.3115997314453,0.0,8.0,2.13685917854309
InChI%3D1S%2FC8H7ClO2%2Fc1-11-8%2810%296-2-4-7%289%295-3-6%2Fh2-5H%2C1H3,11.0,6.0,4.0,18.0,6.0,1.58770000934601,2.0,2.00999999046326,1.24699997901917,0.0,46.440299987793,0.0,9.0,2.52079129219055
InChI%3D1S%2FC9H14O3%2Fc1-7%282%299%2810%2912-6-8-4-3-5-11-8%2Fh8H%2C1%2C3-6H2%2C2H3,12.0,0.0,7.0,26.0,0.0,0.305500000715256,4.0,2.11999988555908,1.06700003147125,3.0,40.9855003356934,0.0,5.0,0.0933302491903305
InChI%3D1S%2FC7H4F3NO3%2Fc8-7%289%2C10%295-3-4%2812%291-2-6%285%2911%2813%2914%2Fh1-3%2C12H,14.0,6.0,3.0,18.0,6.0,0.591199994087219,2.0,1.46000003814697,2.83400011062622,0.0,11.8850002288818,1.0,10.0,0.349517434835434
InChI%3D1S%2FC7H6O3.Na%2Fc8-6-4-2-1-3-5%286%297%289%2910%3B%2Fh1-4%2C8H%2C%28H%2C9%2C10%29%3B%2Fq%3B%2B1%2Fp-1,10.0,6.0,3.0,16.0,6.0,,1.0,1.78999996185303,1.71000003814697,0.0,,1.0,10.0,
InChI%3D1S%2FC3H6Br2O%2Fc4-1-3%285%292-6%2Fh3%2C6H%2C1-2H2,5.0,0.0,6.0,12.0,0.0,1.29009997844696,2.0,1.46000003814697,1.5809999704361,3.0,32.5850982666016,1.0,0.0,1.6643580198288
InChI%3D1S%2FC2HCl5%2Fc3-1%284%292%285%2C6%297%2Fh1H,6.0,0.0,7.0,8.0,0.0,2.88779997825623,1.0,1.12999999523163,3.22900009155273,2.0,36.3208999633789,0.0,0.0,8.33938884735107
InChI%3D1S%2FC8H10O%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6%2C9H%2C2H2%2C1H3,9.0,6.0,2.0,19.0,6.0,0.951600015163422,1.0,2.23000001907349,1.80200004577637,2.0,41.6916999816895,1.0,7.0,0.905542552471161
InChI%3D1S%2FC10H8O%2Fc11-10-7-3-5-8-4-1-2-6-9%288%2910%2Fh1-7%2C11H,12.0,10.0,0.0,19.0,11.0,1.38469994068146,0.0,2.45000004768372,1.87699997425079,0.0,50.75830078125,1.0,11.0,1.91739404201508
InChI%3D1S%2FC4H5N%2Fc1-2-3-4-5%2Fh2H%2C1%2C3H2,4.0,0.0,5.0,10.0,0.0,0.77700001001358,1.0,1.78999996185303,0.675999999046326,4.0,20.8950004577637,0.0,2.0,0.603729009628296
InChI%3D1S%2FC8H4F3N%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-4H,12.0,6.0,3.0,16.0,6.0,2.14499998092651,1.0,1.89999997615814,1.54799997806549,0.0,41.1487998962402,0.0,8.0,4.60102510452271
InChI%3D1S%2FC7H6N2O4%2Fc1-5-2-3-6%288%2810%2911%294-7%285%299%2812%2913%2Fh2-4H%2C1H3,13.0,6.0,2.0,19.0,6.0,0.548799991607666,2.0,1.57000005245209,2.68199992179871,0.0,11.273699760437,0.0,12.0,0.301181435585022
InChI%3D1S%2FC7H6BrNO%2Fc8-6-3-1-2-5%284-6%297%289%2910%2Fh1-4H%2C%28H2%2C9%2C10%29,10.0,6.0,3.0,16.0,6.0,1.57889997959137,1.0,1.89999997615814,1.50800001621246,0.0,45.7462997436523,2.0,9.0,2.49292516708374
InChI%3D1S%2FC8H6ClNO4%2Fc1-14-8%2811%296-3-2-5%289%294-7%286%2910%2812%2913%2Fh2-4H%2C1H3,14.0,6.0,4.0,20.0,6.0,0.341699987649918,3.0,1.67999994754791,0.975000023841858,0.0,39.2047996520996,0.0,12.0,0.116758890450001
InChI%3D1S%2FC10H24N4%2Fc11-3-1-5-13-7-9-14%2810-8-13%296-2-4-12%2Fh1-12H2,14.0,0.0,4.0,38.0,0.0,-1.95659995079041,6.0,2.11999988555908,-1.12999999523163,3.0,57.7610015869141,2.0,0.0,3.8282835483551
InChI%3D1S%2FC10H18O4%2Fc1-3-13-9%2811%297-5-6-8-10%2812%2914-4-2%2Fh3-8H2%2C1-2H3,13.0,0.0,14.0,32.0,0.0,0.0167999994009733,9.0,2.11999988555908,1.49399995803833,6.0,47.4860000610352,0.0,3.0,0.000282240012893453
InChI%3D1S%2FC6H4Cl2O%2Fc7-4-1-2-6%289%295%288%293-4%2Fh1-3%2C9H,9.0,6.0,0.0,13.0,6.0,1.57770001888275,0.0,1.78999996185303,1.88900005817413,0.0,41.9936981201172,1.0,7.0,2.48913717269897
InChI%3D1S%2FC7H12O%2Fc8-7-4-5-1-2-6%287%293-5%2Fh5-8H%2C1-4H2%2Ft5-%2C6%2B%2C7%2B%2Fm0%2Fs1,9.0,0.0,0.0,20.0,0.0,-0.293700009584427,0.0,2.11999988555908,1.22500002384186,0.0,29.7889003753662,1.0,0.0,0.0862596929073334
InChI%3D1S%2FC8H19NO%2Fc1-7%282%299%285-6-10%298%283%294%2Fh7-8%2C10H%2C5-6H2%2C1-4H3,9.0,0.0,10.0,29.0,0.0,-0.319499999284744,4.0,2.11999988555908,1.12000000476837,3.0,45.2775993347168,1.0,0.0,0.102080248296261
InChI%3D1S%2FC17H13N%2Fc1-3-8-14%289-4-1%2916-12-7-13-17%2818-16%2915-10-5-2-6-11-15%2Fh1-13H,20.0,18.0,0.0,31.0,18.0,2.69210004806519,2.0,3.22000002861023,2.77099990844727,0.0,85.9643020629883,0.0,18.0,7.24740219116211
InChI%3D1S%2FC8H19O3PS2%2Fc1-4-10-12%289%2C11-5-2%2914-8-7-13-6-3%2Fh4-8H2%2C1-3H3,13.0,0.0,14.0,33.0,0.0,2.1314001083374,9.0,1.67999994754791,2.21600008010864,2.0,64.6414031982422,0.0,4.0,4.54286575317383
InChI%3D1S%2FC5H13N%2Fc1-4%282%295%283%296%2Fh4-5H%2C6H2%2C1-3H3,5.0,0.0,6.0,19.0,0.0,-0.176100000739098,1.0,1.89999997615814,0.972000002861023,4.0,27.7865009307861,1.0,0.0,0.0310112107545137
InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-9-7-8-10-14%2813%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3,20.0,6.0,7.0,42.0,6.0,-0.196199998259544,10.0,2.77999997138977,3.64599990844727,4.0,73.9672012329102,0.0,12.0,0.0384944416582584
InChI%3D1S%2FC9H12%2Fc1-8%282%299-6-4-3-5-7-9%2Fh3-8H%2C1-2H3,9.0,6.0,3.0,21.0,6.0,1.78069996833801,1.0,2.45000004768372,3.44199991226196,3.0,44.0035018920898,0.0,6.0,3.17089247703552
InChI%3D1S%2FC6HCl5O%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H,12.0,6.0,0.0,13.0,6.0,2.68379998207092,0.0,1.46000003814697,3.61999988555908,0.0,56.1422996520996,1.0,7.0,7.20278263092041
InChI%3D1S%2FC5H12ClN.ClH%2Fc1-7%282%295-3-4-6%3B%2Fh3-5H2%2C1-2H3%3B1H,6.0,0.0,7.0,21.0,0.0,0.697300016880035,3.0,1.67999994754791,1.69799995422363,3.0,32.2430000305176,0.0,0.0,0.486227303743362
InChI%3D1S%2FC10H9NO6%2Fc1-16-9%2812%296-3-4-7%2810%2813%2917-2%298%285-6%2911%2814%2915%2Fh3-5H%2C1-2H3,17.0,6.0,4.0,26.0,6.0,-0.0241999998688698,5.0,1.78999996185303,1.79900002479553,0.0,26.8626003265381,0.0,15.0,0.000585640023928136
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InChI%3D1S%2FC4H8O%2Fc1-2-3-4-5%2Fh4H%2C2-3H2%2C1H3,4.0,0.0,5.0,13.0,0.0,-0.394300013780594,2.0,1.78999996185303,1.15600001811981,4.0,19.6534004211426,0.0,1.0,0.155472487211227
InChI%3D1S%2FC7H4ClNS2%2Fc8-4-1-2-6-5%283-4%299-7%2810%2911-6%2Fh1-3H%2C%28H%2C9%2C10%29,12.0,6.0,0.0,17.0,6.0,2.27810001373291,0.0,1.78999996185303,1.77900004386902,0.0,57.5004005432129,1.0,7.0,5.18973970413208
InChI%3D1S%2FC6H3Cl4N%2Fc7-2-1-3%288%295%2810%296%2811%294%282%299%2Fh1H%2C11H2,11.0,6.0,0.0,14.0,6.0,1.68149995803833,0.0,1.57000005245209,2.63199996948242,0.0,53.3703994750977,1.0,7.0,2.82744216918945
InChI%3D1S%2FC10H6N2O5.Na.2H2O%2Fc13-10-7-4-2-1-3-6%287%298%2811%2814%2915%295-9%2810%2912%2816%2917%3B%3B%3B%2Fh1-5%2C13H%3B%3B2%2A1H2%2Fq%3B%2B1%3B%3B%2Fp-1,18.0,10.0,3.0,29.0,11.0,,2.0,1.46000003814697,,0.0,,2.0,17.0,
InChI%3D1S%2FC10H17N%2Fc11-10-4-7-1-8%285-10%293-9%282-7%296-10%2Fh7-9H%2C1-6%2C11H2,13.0,0.0,0.0,28.0,0.0,-1.5786999464035,0.0,2.45000004768372,2.31200003623962,0.0,44.1259002685547,1.0,0.0,2.4922935962677
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InChI%3D1S%2FC5H4ClNO%2Fc6-4-2-1-3-5%288%297-4%2Fh1-3H%2C%28H%2C7%2C8%29,8.0,6.0,0.0,12.0,6.0,1.2422000169754,0.0,1.67999994754791,0.824000000953674,0.0,33.2155990600586,1.0,7.0,1.54306089878082
InChI%3D1S%2FC12H21N2O3PS%2Fc1-6-15-18%2819%2C16-7-2%2917-11-8-10%285%2913-12%2814-11%299%283%294%2Fh8-9H%2C6-7H2%2C1-5H3,19.0,6.0,9.0,40.0,6.0,2.0171000957489,7.0,2.00999999046326,3.07500004768372,2.0,81.5680999755859,0.0,11.0,4.06869220733643
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InChI%3D1S%2FC10H18O2%2Fc1-2-3-4-5-6-9-7-8-10%2811%2912-9%2Fh9H%2C2-8H2%2C1H3,12.0,0.0,6.0,30.0,0.0,-1.78340005874634,5.0,2.33999991416931,3.31299996376038,6.0,37.6071014404297,0.0,3.0,3.18051552772522
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InChI%3D1S%2FC11H15NO%2Fc1-3-12%284-2%2911-7-5-10%289-13%296-8-11%2Fh5-9H%2C3-4H2%2C1-2H3,13.0,6.0,5.0,28.0,6.0,1.28719997406006,4.0,2.45000004768372,1.80999994277954,2.0,58.2363014221191,0.0,9.0,1.65688383579254
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InChI%3D1S%2FC7H8O2%2Fc1-9-7-4-2-3-6%288%295-7%2Fh2-5%2C8H%2C1H3,9.0,6.0,2.0,17.0,6.0,0.341699987649918,1.0,2.00999999046326,0.975000023841858,0.0,39.2047996520996,1.0,8.0,0.116758890450001
InChI%3D1S%2FC10H10N2O2S%2Fc1-9-2-4-10%285-3-9%2915%2813%2C14%2912-7-6-11-8-12%2Fh2-8H%2C1H3,16.0,6.0,2.0,29.0,6.0,0.0747999995946884,2.0,2.00999999046326,0.861000001430511,0.0,62.6654014587402,1.0,10.0,0.00559504004195333
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InChI%3D1S%2FC5H6ClN3%2Fc1-3-2-4%286%299-5%287%298-3%2Fh2H%2C1H3%2C%28H2%2C7%2C8%2C9%29,9.0,0.0,0.0,19.0,0.0,-0.0907000005245209,0.0,1.57000005245209,1.33200001716614,0.0,32.6875991821289,3.0,4.0,0.00822648964822292
InChI%3D1S%2FC10H15NO2%2Fc12-8-6-11%287-9-13%2910-4-2-1-3-5-10%2Fh1-5%2C12-13H%2C6-9H2,13.0,6.0,7.0,28.0,6.0,0.095600001513958,5.0,2.23000001907349,0.14300000667572,2.0,57.1595001220703,0.0,7.0,0.00913935992866755
InChI%3D1S%2FC8H12O%2Fc1-2-8%289%296-4-3-5-7-8%2Fh1%2C9H%2C3-7H2,9.0,0.0,2.0,21.0,0.0,-0.333099991083145,0.0,2.23000001907349,1.35000002384186,2.0,30.2702007293701,1.0,2.0,0.110955610871315
InChI%3D1S%2FC11H16N2%2Fc1-2-4-11%285-3-1%2910-13-8-6-12-7-9-13%2Fh1-5%2C12H%2C6-10H2,14.0,6.0,0.0,29.0,6.0,0.85860002040863,2.0,2.45000004768372,0.559000015258789,0.0,59.494701385498,1.0,6.0,0.737193942070007
InChI%3D1S%2FC6H4N2O5%2Fc9-6-4%287%2810%2911%292-1-3-5%286%298%2812%2913%2Fh1-3%2C9H,13.0,6.0,2.0,17.0,6.0,1.02699995040894,2.0,1.35000002384186,0.903999984264374,0.0,45.1990013122559,1.0,13.0,1.05472898483276
InChI%3D1S%2FC7H8ClN%2Fc1-5-2-3-7%289%296%288%294-5%2Fh2-4H%2C9H2%2C1H3,9.0,6.0,0.0,17.0,6.0,1.02180004119873,0.0,2.00999999046326,1.29299998283386,0.0,43.5037994384766,1.0,7.0,1.04407525062561
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh2-3H%2C1H2,3.0,0.0,4.0,8.0,0.0,0.408399999141693,1.0,1.67999994754791,0.293000012636185,3.0,16.3659992218018,0.0,4.0,0.166790559887886
InChI%3D1S%2FC6H5NO3%2Fc8-6-3-1-5%282-4-6%297%289%2910%2Fh1-4%2C8H,10.0,6.0,2.0,15.0,6.0,-0.506900012493134,1.0,1.67999994754791,1.72000002861023,0.0,5.45039987564087,1.0,10.0,0.256947606801987
InChI%3D1S%2FC15H10O2%2Fc16-13-10-15%2811-6-2-1-3-7-11%2917-14-9-5-4-8-12%2813%2914%2Fh1-10H,19.0,12.0,0.0,29.0,12.0,1.5353000164032,1.0,2.89000010490417,1.87699997425079,0.0,73.7113037109375,0.0,9.0,2.35714602470398
InChI%3D1S%2FC10H18O%2Fc1-9%282%298-4-6-10%283%2C11-9%297-5-8%2Fh8H%2C4-7H2%2C1-3H3,12.0,0.0,0.0,29.0,0.0,1.31089997291565,0.0,2.45000004768372,2.59500002861023,0.0,44.032600402832,0.0,0.0,1.71845877170563
InChI%3D1S%2FC6H6ClN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,8.0,6.0,0.0,14.0,6.0,0.575399994850159,0.0,1.89999997615814,0.901000022888184,0.0,39.2218017578125,1.0,7.0,0.33108514547348
InChI%3D1S%2F2C9H13N.H2O4S%2Fc2%2A1-8%2810%297-9-5-3-2-4-6-9%3B1-5%282%2C3%294%2Fh2%2A2-6%2C8H%2C7%2C10H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29,24.0,12.0,5.0,53.0,12.0,-2.03099989891052,4.0,2.67000007629395,5.40000009536743,3.0,49.9654006958008,4.0,6.0,4.12496089935303
InChI%3D1S%2FC7H12O%2Fc1-3-5-6-7%288%294-2%2Fh2%2C7-8H%2C3%2C5-6H2%2C1H3,7.0,0.0,8.0,20.0,0.0,-0.558499991893768,3.0,2.11999988555908,1.79100000858307,7.0,28.360200881958,1.0,2.0,0.311922252178192
InChI%3D1S%2FC6H7N%2Fc1-6-4-2-3-5-7-6%2Fh2-5H%2C1H3,7.0,6.0,0.0,14.0,6.0,-0.342900007963181,0.0,2.00999999046326,0.140000000596046,0.0,31.8628005981445,0.0,6.0,0.117580406367779
InChI%3D1S%2FC6H10O%2Fc1-3-5-6%287%294-2%2Fh3-4%2C6-7H%2C1-2%2C5H2,6.0,0.0,7.0,17.0,0.0,1.15989995002747,3.0,2.00999999046326,1.20299994945526,6.0,30.7087001800537,1.0,2.0,1.34536802768707
InChI%3D1S%2FC10H20O%2Fc1-7%282%299-5-4-8%283%296-10%289%2911%2Fh7-11H%2C4-6H2%2C1-3H3%2Ft8-%2C9%2B%2C10-%2Fm1%2Fs1,11.0,0.0,3.0,31.0,0.0,0.656300008296967,1.0,2.45000004768372,3.21099996566772,3.0,44.9238014221191,1.0,0.0,0.430729687213898
InChI%3D1S%2FC13H11NO2%2Fc15-12-9-5-4-8-11%2812%2913%2816%2914-10-6-2-1-3-7-10%2Fh1-9%2C15H%2C%28H%2C14%2C16%29,17.0,12.0,3.0,27.0,12.0,1.519700050354,2.0,2.55999994277954,1.89600002765656,0.0,70.1010971069336,2.0,16.0,2.30948805809021
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InChI%3D1S%2FN3.Na%2Fc1-3-2%3B%2Fq-1%3B%2B1,2.0,0.0,3.0,6.0,0.0,,0.0,1.01999998092651,-1.67900002002716,0.0,,1.0,3.0,
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InChI%3D1S%2FC7H15NO%2Fc1-6%287%282%299%295-8%283%294%2Fh6H%2C5H2%2C1-4H3,8.0,0.0,9.0,24.0,0.0,0.270300000905991,3.0,2.00999999046326,0.160999998450279,4.0,39.128101348877,0.0,1.0,0.0730620920658112
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InChI%3D1S%2FC9H19NO%2Fc1-4-10%285-2%298-6-7-9%283%2911%2Fh4-8H2%2C1-3H3,10.0,0.0,11.0,30.0,0.0,0.223100006580353,6.0,2.23000001907349,1.07200002670288,5.0,45.8223991394043,0.0,1.0,0.0497736111283302
InChI%3D1S%2FC14H23N%2Fc1-2-3-4-5-6-7-8-13-9-11-14%2815%2912-10-13%2Fh9-12H%2C2-8%2C15H2%2C1H3,15.0,6.0,8.0,38.0,6.0,-1.60319995880127,7.0,2.89000010490417,4.80499982833862,8.0,61.5191993713379,1.0,7.0,2.57025027275085
InChI%3D1S%2F2C21H22N2O2.H2O4S%2Fc2%2A24-18-10-16-19-13-9-17-21%286-7-22%2817%2911-12%2813%295-8-25-16%2914-3-1-2-4-15%2814%2923%2818%2920%2819%2921%3B1-5%282%2C3%294%2Fh2%2A1-5%2C13%2C16-17%2C19-20H%2C6-11H2%3B%28H2%2C1%2C2%2C3%2C4%29%2Ft2%2A13-%2C16-%2C17-%2C19%3F%2C20-%2C21%2B%3B%2Fm00.%2Fs1,66.0,12.0,5.0,101.0,12.0,-2.2260000705719,0.0,4.65000009536743,1.69799995422363,0.0,148.869995117188,2.0,9.0,4.95507621765137
InChI%3D1S%2FC10H12O4%2Fc1-12-8-5-10%2814-3%299%2813-2%294-7%288%296-11%2Fh4-6H%2C1-3H3,14.0,6.0,2.0,26.0,6.0,-0.480399996042252,4.0,2.11999988555908,1.14999997615814,0.0,55.9600982666016,0.0,11.0,0.23078416287899
InChI%3D1S%2FC10H18O%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh11H%2C2-7%2C10H2%2C1H3,10.0,0.0,11.0,29.0,0.0,-1.1845999956131,5.0,2.45000004768372,3.67700004577637,10.0,41.1623001098633,1.0,2.0,1.40327715873718
InChI%3D1S%2FC12H14O4%2Fc1-3-15-11%2813%299-7-5-6-8-10%289%2912%2814%2916-4-2%2Fh5-8H%2C3-4H2%2C1-2H3,16.0,6.0,5.0,30.0,6.0,1.53540003299713,6.0,2.33999991416931,1.79200005531311,2.0,61.0800018310547,0.0,12.0,2.35745310783386
InChI%3D1S%2FC7H7F%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5H%2C1H3,8.0,6.0,0.0,15.0,6.0,1.75960004329681,0.0,2.11999988555908,1.32400000095367,0.0,35.3656005859375,0.0,6.0,3.09619212150574
InChI%3D1S%2FC6H5Cl2N%2Fc7-5-2-1-4%289%293-6%285%298%2Fh1-3H%2C9H2,9.0,6.0,0.0,14.0,6.0,0.944100022315979,0.0,1.78999996185303,1.47800004482269,0.0,43.9379997253418,1.0,7.0,0.891324818134308
InChI%3D1S%2FC8H6ClNO3%2Fc1-5%2811%296-2-3-7%289%298%284-6%2910%2812%2913%2Fh2-4H%2C1H3,13.0,6.0,3.0,19.0,6.0,0.443800002336502,2.0,1.78999996185303,2.28099989891052,2.0,19.2717990875244,0.0,11.0,0.196958437561989
InChI%3D1S%2FC6H5N3O4%2Fc7-5-2-1-4%288%2810%2911%293-6%285%299%2812%2913%2Fh1-3H%2C7H2,13.0,6.0,2.0,18.0,6.0,-0.843100011348724,2.0,1.35000002384186,2.39800000190735,0.0,9.99370002746582,1.0,13.0,0.710817635059357
InChI%3D1S%2FC2H3F3O%2Fc3-2%284%2C5%291-6%2Fh6H%2C1H2,5.0,0.0,6.0,9.0,0.0,0.649399995803833,1.0,1.24000000953674,0.925999999046326,2.0,13.7114000320435,1.0,0.0,0.42172035574913
InChI%3D1S%2FC6H10O3%2Fc1-3-6%288%299-4-5%282%297%2Fh3%2C5%2C7H%2C1%2C4H2%2C2H3,8.0,0.0,9.0,19.0,0.0,0.0619000010192394,4.0,1.78999996185303,0.284000009298325,3.0,32.937198638916,1.0,5.0,0.00383161008358002
InChI%3D1S%2FC9H21N%2Fc1-2-3-4-5-6-7-8-9-10%2Fh2-10H2%2C1H3,9.0,0.0,10.0,31.0,0.0,-2.70300006866455,7.0,2.33999991416931,3.62899994850159,9.0,35.2141990661621,1.0,0.0,7.30620908737183
InChI%3D1S%2FC7HF5O%2Fc8-3-2%281-13%294%289%296%2811%297%2812%295%283%2910%2Fh1H,13.0,6.0,2.0,14.0,6.0,0.564400017261505,1.0,1.57000005245209,1.00999999046326,0.0,36.6685981750488,0.0,8.0,0.318547368049622
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh6H%2C2-5H2%2C1H3,6.0,0.0,7.0,19.0,0.0,-0.970300018787384,4.0,2.00999999046326,2.29399991035461,6.0,25.4766006469727,0.0,1.0,0.941482067108154
InChI%3D1S%2FC12H15NO3%2Fc1-12%282%297-8-5-4-6-9%2810%288%2916-12%2915-11%2814%2913-3%2Fh4-6H%2C7H2%2C1-3H3%2C%28H%2C13%2C14%29,17.0,6.0,5.0,31.0,6.0,1.31060004234314,2.0,2.33999991416931,2.06800007820129,0.0,63.7770004272461,1.0,11.0,1.71767234802246
InChI%3D1S%2FC4H9NO%2Fc1-3-4%282%295-6%2Fh6H%2C3H2%2C1-2H3,5.0,0.0,6.0,15.0,0.0,-0.125900000333786,1.0,1.67999994754791,0.680999994277954,4.0,24.7532005310059,1.0,3.0,0.0158508103340864
InChI%3D1S%2FC8H10O2%2Fc1-9-7-3-5-8%2810-2%296-4-7%2Fh3-6H%2C1-2H3,10.0,6.0,2.0,20.0,6.0,0.406199991703033,2.0,2.11999988555908,1.2960000038147,0.0,44.2428016662598,0.0,8.0,0.164998441934586
InChI%3D1S%2FC2H4O%2Fc1-2-3%2Fh2H%2C1H3,2.0,0.0,3.0,7.0,0.0,-0.182500004768372,0.0,1.57000005245209,0.333999991416931,2.0,11.7182998657227,0.0,1.0,0.033306248486042
InChI%3D1S%2FC9H9N%2Fc1-7-6-10-9-5-3-2-4-8%287%299%2Fh2-6%2C10H%2C1H3,11.0,6.0,0.0,21.0,6.0,0.485599994659424,0.0,2.33999991416931,1.09200000762939,0.0,45.6109008789062,1.0,7.0,0.235807359218597
InChI%3D1S%2FC3H9NO%2Fc1-5-3-2-4%2Fh2-4H2%2C1H3,4.0,0.0,5.0,14.0,0.0,-0.778500020503998,2.0,1.57000005245209,-0.755999982357025,2.0,20.9622993469238,1.0,0.0,0.606062233448029
InChI%3D1S%2FC8H11N%2Fc1-9%282%298-6-4-3-5-7-8%2Fh3-7H%2C1-2H3,9.0,6.0,3.0,20.0,6.0,1.17439997196198,1.0,2.23000001907349,1.56099998950958,0.0,44.5749015808105,0.0,7.0,1.37921535968781
InChI%3D1S%2FC6H8O%2Fc1-5-3-4-6%282%297-5%2Fh3-4H%2C1-2H3,7.0,5.0,0.0,15.0,5.0,0.724900007247925,0.0,2.00999999046326,2.01200008392334,0.0,13.0840997695923,0.0,5.0,0.525480031967163
InChI%3D1S%2FC12H10%2Fc1-3-9-4-2-6-11-8-7-10%285-1%2912%289%2911%2Fh1-6H%2C7-8H2,14.0,10.0,0.0,22.0,11.0,1.6813999414444,0.0,2.77999997138977,3.45799994468689,0.0,56.4434013366699,0.0,10.0,2.82710599899292
InChI%3D1S%2FC5H13N%2Fc1-5%282%2C3%294-6%2Fh4%2C6H2%2C1-3H3,5.0,0.0,6.0,19.0,0.0,0.817900002002716,1.0,1.89999997615814,0.907000005245209,3.0,28.0611000061035,1.0,0.0,0.668960392475128
InChI%3D1S%2FC8H10O%2Fc1-6-3-4-8%289%297%282%295-6%2Fh3-5%2C9H%2C1-2H3,9.0,6.0,0.0,19.0,6.0,1.73310005664825,0.0,2.23000001907349,1.51900005340576,0.0,41.125301361084,1.0,7.0,3.00363564491272
InChI%3D1S%2FC3H6Cl2%2Fc1-3%285%292-4%2Fh3H%2C2H2%2C1H3,4.0,0.0,5.0,11.0,0.0,1.50109994411469,1.0,1.57000005245209,2.03699994087219,3.0,25.2399997711182,0.0,0.0,2.25330114364624
InChI%3D1S%2FC6H7N%2Fc1-6-2-4-7-5-3-6%2Fh2-5H%2C1H3,7.0,6.0,0.0,14.0,6.0,0.165000006556511,0.0,2.00999999046326,0.351000010967255,0.0,31.6683006286621,0.0,6.0,0.0272250007838011
InChI%3D1S%2FC4H6O2%2Fc5-3-1-2-4-6%2Fh5-6H%2C3-4H2,5.0,0.0,6.0,12.0,0.0,-0.307000011205673,0.0,1.67999994754791,-0.879999995231628,4.0,23.117000579834,2.0,2.0,0.094249002635479
InChI%3D1S%2FC5H10O%2Fc1-3-4-5%282%296%2Fh3-4H2%2C1-2H3,5.0,0.0,6.0,16.0,0.0,-0.455799996852875,2.0,1.89999997615814,1.00699996948242,5.0,24.1298999786377,0.0,1.0,0.207753643393517
InChI%3D1S%2FC9H11NO%2Fc1-10%282%299-5-3-8%287-11%294-6-9%2Fh3-7H%2C1-2H3,11.0,6.0,3.0,22.0,6.0,0.786400020122528,2.0,2.23000001907349,0.96399998664856,0.0,49.6487007141113,0.0,9.0,0.618424952030182
InChI%3D1S%2FC3H2F6O%2Fc4-2%285%2C6%291%2810%293%287%2C8%299%2Fh1%2C10H,9.0,0.0,10.0,12.0,0.0,1.68550002574921,2.0,1.01999998092651,2.38800001144409,3.0,18.8316993713379,1.0,0.0,2.84091019630432
InChI%3D1S%2FC8H6Br4%2Fc9-7%2810%295-3-1-2-4-6%285%298%2811%2912%2Fh1-4%2C7-8H,12.0,6.0,2.0,18.0,6.0,4.25740003585815,2.0,1.89999997615814,4.25400018692017,0.0,70.5457992553711,0.0,6.0,18.1254539489746
InChI%3D1S%2FC10H10O2%2Fc1-8%2811%297-10%2812%299-5-3-2-4-6-9%2Fh2-6H%2C7H2%2C1H3,12.0,6.0,6.0,22.0,6.0,0.724900007247925,3.0,2.33999991416931,1.28999996185303,4.0,50.4012985229492,0.0,8.0,0.525480031967163
InChI%3D1S%2FC6H6ClN%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H%2C8H2,8.0,6.0,0.0,14.0,6.0,0.575399994850159,0.0,1.89999997615814,0.901000022888184,0.0,39.2218017578125,1.0,7.0,0.33108514547348
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%2811%295%289%296%2810%294%282%298%2Fh1%2C11H,11.0,6.0,0.0,13.0,6.0,2.3150999546051,0.0,1.57000005245209,3.04299998283386,0.0,51.4261016845703,1.0,7.0,5.35968780517578
InChI%3D1S%2FC6H12N2%2Fc1-2-8-5-3-7%281%294-6-8%2Fh1-6H2,9.0,0.0,0.0,20.0,0.0,0.096000000834465,0.0,1.89999997615814,-0.504000008106232,0.0,34.0691986083984,0.0,0.0,0.0092160003259778
InChI%3D1S%2FC6HCl3N2O4%2Fc7-2-1-3%288%296%2811%2814%2915%294%289%295%282%2910%2812%2913%2Fh1H,15.0,6.0,3.0,16.0,6.0,2.13969993591309,2.0,1.12999999523163,2.85800004005432,0.0,22.6184005737305,0.0,12.0,4.57831621170044
InChI%3D1S%2FC14H14OS%2Fc15-16%2811-13-7-3-1-4-8-13%2912-14-9-5-2-6-10-14%2Fh1-10H%2C11-12H2,17.0,12.0,4.0,30.0,12.0,1.91760003566742,4.0,2.77999997138977,0.935999989509583,0.0,78.0609970092773,0.0,6.0,3.67718982696533
InChI%3D1S%2FC8H6Cl2O2%2Fc1-12-8%2811%296-4-5%289%292-3-7%286%2910%2Fh2-4H%2C1H3,12.0,6.0,4.0,18.0,6.0,1.95640003681183,2.0,1.89999997615814,1.82400000095367,0.0,51.1565017700195,0.0,9.0,3.82750105857849
InChI%3D1S%2FC14H20ClNO2%2Fc1-4-11-7-6-8-12%285-2%2914%2811%2916%2810-18-3%2913%2817%299-15%2Fh6-8H%2C4-5%2C9-10H2%2C1-3H3,18.0,6.0,8.0,38.0,6.0,1.04059994220734,7.0,2.55999994277954,2.22199988365173,2.0,77.7130966186523,0.0,9.0,1.08284831047058
InChI%3D1S%2FC9H14N.CH4O4S%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B1-5-6%282%2C3%294%2Fh4-8H%2C1-3H3%3B1H3%2C%28H%2C2%2C3%2C4%29%2Fq%2B1%3B%2Fp-1,15.0,6.0,6.0,33.0,6.0,-2.22160005569458,2.0,1.89999997615814,0.619000017642975,0.0,32.7785987854004,0.0,7.0,4.93550634384155
InChI%3D1S%2FC6H3I3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,10.0,6.0,0.0,13.0,6.0,1.6878000497818,0.0,1.67999994754791,3.80399990081787,0.0,69.5197982788086,1.0,7.0,2.84866881370544
InChI%3D1S%2FC2H4Cl2%2Fc3-1-2-4%2Fh1-2H2,3.0,0.0,4.0,8.0,0.0,1.51180005073547,1.0,1.46000003814697,1.74000000953674,2.0,20.6555995941162,0.0,0.0,2.28553915023804
InChI%3D1S%2FC9H10O2%2Fc1-2-11-9-5-3-8%287-10%294-6-9%2Fh3-7H%2C2H2%2C1H3,11.0,6.0,3.0,21.0,6.0,0.767199993133545,3.0,2.23000001907349,1.09300005435944,2.0,46.9668998718262,0.0,9.0,0.588595867156982
InChI%3D1S%2FC12H10OS%2Fc13-14%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,15.0,12.0,2.0,24.0,12.0,1.39199995994568,2.0,2.55999994277954,0.108000002801418,0.0,69.7322006225586,0.0,14.0,1.93766403198242
InChI%3D1S%2FC5H12O%2Fc1-2-3-4-5-6%2Fh6H%2C2-5H2%2C1H3,5.0,0.0,6.0,18.0,0.0,-1.26139998435974,3.0,1.89999997615814,1.41999995708466,5.0,21.9102993011475,1.0,0.0,1.59113001823425
InChI%3D1S%2FC6H6FN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,8.0,6.0,0.0,14.0,6.0,0.116499997675419,0.0,1.89999997615814,0.439999997615814,0.0,34.6333999633789,1.0,7.0,0.0135722495615482
InChI%3D1S%2FC5H8O3%2Fc1-2-5%287%298-4-3-6%2Fh2%2C6H%2C1%2C3-4H2,7.0,0.0,8.0,16.0,0.0,0.0725999996066093,4.0,1.67999994754791,-0.175999999046326,3.0,28.3528003692627,1.0,5.0,0.00527076004073024
InChI%3D1S%2FC6H2F5N%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh12H2,12.0,6.0,0.0,14.0,6.0,-0.244299992918968,0.0,1.46000003814697,0.903999984264374,0.0,35.1445999145508,1.0,7.0,0.0596824884414673
InChI%3D1S%2FC12H18N2O3.Na%2Fc1-4-6-8%283%2912%287-5-2%299%2815%2913-11%2817%2914-10%2812%2916%3B%2Fh5%2C8H%2C2%2C4%2C6-7H2%2C1%2C3H3%2C%28H2%2C13%2C14%2C15%2C16%2C17%29%3B%2Fq%3B%2B1%2Fp-1,17.0,0.0,5.0,35.0,0.0,,5.0,2.11999988555908,3.2720000743866,5.0,,1.0,8.0,
InChI%3D1S%2FC13H10Cl2O2%2Fc14-10-1-3-12%2816%298%286-10%295-9-7-11%2815%292-4-13%289%2917%2Fh1-4%2C6-7%2C16-17H%2C5H2,18.0,12.0,0.0,27.0,12.0,2.48300004005432,2.0,2.45000004768372,2.26699995994568,0.0,76.7157974243164,2.0,7.0,6.1652889251709
InChI%3D1S%2FC9H18O%2Fc1-3-5-7-9%2810%298-6-4-2%2Fh3-8H2%2C1-2H3,9.0,0.0,10.0,28.0,0.0,-1.24360001087189,6.0,2.33999991416931,2.96700000762939,9.0,37.8881988525391,0.0,1.0,1.54654097557068
InChI%3D1S%2FC7H11ClO4%2Fc1-3-11-6%289%295%288%297%2810%2912-4-2%2Fh5H%2C3-4H2%2C1-2H3,11.0,0.0,12.0,23.0,0.0,1.11039996147156,6.0,1.67999994754791,1.38699996471405,3.0,41.502799987793,0.0,3.0,1.23298811912537
InChI%3D1S%2F2C4H7Cl3O.H2O%2Fc2%2A1-3%282%2C8%294%285%2C6%297%3B%2Fh2%2A8H%2C1-2H3%3B1H2,14.0,0.0,8.0,33.0,0.0,3.64400005340576,2.0,1.35000002384186,3.96099996566772,3.0,74.5431976318359,3.0,0.0,13.278736114502
InChI%3D1S%2FC12H8ClNO3%2Fc13-9-5-7-10%288-6-9%2917-12-4-2-1-3-11%2812%2914%2815%2916%2Fh1-8H,18.0,12.0,3.0,25.0,12.0,0.543600022792816,3.0,2.23000001907349,4.66699981689453,0.0,10.1204996109009,0.0,16.0,0.295500963926315
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InChI%3D1S%2FC5H8O2%2Fc1-4%286%293-5%282%297%2Fh3H2%2C1-2H3,6.0,0.0,7.0,15.0,0.0,-0.47299998998642,2.0,1.78999996185303,0.231000006198883,5.0,26.0900001525879,0.0,1.0,0.223728999495506
InChI%3D1S%2FC6H6N2O2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H%2C7H2,10.0,6.0,2.0,16.0,6.0,-0.796500027179718,1.0,1.67999994754791,1.65299999713898,0.0,7.10790014266968,1.0,10.0,0.634412229061127
InChI%3D1S%2FC6H15N%2Fc1-2-3-4-5-6-7%2Fh2-7H2%2C1H3,6.0,0.0,7.0,22.0,0.0,-1.83899998664856,4.0,2.00999999046326,1.92200005054474,6.0,26.4794006347656,1.0,0.0,3.38192105293274
InChI%3D1S%2FC20H30O2%2Fc1-5-18%282%2912-9-15-14%2813-18%297-8-16-19%2815%2C3%2910-6-11-20%2816%2C4%2917%2821%2922%2Fh5%2C7%2C15-16H%2C1%2C6%2C8-13H2%2C2-4H3%2C%28H%2C21%2C22%29%2Ft15-%2C16%2B%2C18-%2C19%2B%2C20%2B%2Fm0%2Fs1,24.0,0.0,2.0,52.0,0.0,1.96809995174408,2.0,3.44000005722046,6.31599998474121,2.0,89.8181991577148,1.0,3.0,3.8734176158905
InChI%3D1S%2FC6H2Cl4O2%2Fc7-1-2%288%294%2810%296%2812%295%2811%293%281%299%2Fh11-12H,12.0,6.0,0.0,14.0,6.0,1.75199997425079,0.0,1.46000003814697,3.39100003242493,0.0,53.0316009521484,2.0,8.0,3.06950402259827
InChI%3D1S%2FC13H22N.ClH%2Fc1-4-14%285-2%2C6-3%2912-13-10-8-7-9-11-13%3B%2Fh7-11H%2C4-6%2C12H2%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,14.0,6.0,8.0,37.0,6.0,,5.0,2.67000007629395,4.56099987030029,2.0,,0.0,6.0,
InChI%3D1S%2FC7H10%2Fc1-2-7-4-3-6%281%295-7%2Fh1-2%2C6-7H%2C3-5H2,8.0,0.0,0.0,17.0,0.0,0.429199993610382,0.0,2.23000001907349,2.99699997901917,0.0,29.6931991577148,0.0,2.0,0.184212639927864
InChI%3D1S%2FC6H14S%2Fc1-3-5-7-6-4-2%2Fh3-6H2%2C1-2H3,6.0,0.0,7.0,21.0,0.0,0.140400007367134,4.0,2.00999999046326,2.74300003051758,3.0,34.8385009765625,0.0,0.0,0.0197121594101191
InChI%3D1S%2FC3H6O2%2Fc1-3%284%295-2%2Fh1-2H3,4.0,0.0,5.0,11.0,0.0,0.0210999995470047,1.0,1.57000005245209,0.24099999666214,0.0,17.4127998352051,0.0,3.0,0.000445209996541962
InChI%3D1S%2FC9H12O%2Fc1-6-4-5-7%282%299%2810%298%286%293%2Fh4-5%2C10H%2C1-3H3,10.0,6.0,0.0,22.0,6.0,2.17950010299683,0.0,2.33999991416931,1.70000004768372,0.0,45.407299041748,1.0,7.0,4.75022029876709
InChI%3D1S%2FC5H8O%2Fc1-3-4-5%282%296%2Fh1%2C5-6H%2C4H2%2C2H3,5.0,0.0,6.0,14.0,0.0,0.367900013923645,1.0,1.89999997615814,0.386999994516373,5.0,24.4908008575439,1.0,2.0,0.135350406169891
InChI%3D1S%2FC5H10O%2Fc1-3-5%282%294-6%2Fh4-5H%2C3H2%2C1-2H3,5.0,0.0,6.0,16.0,0.0,-0.134299993515015,2.0,1.89999997615814,1.44900000095367,4.0,24.4582996368408,0.0,1.0,0.0180364903062582
InChI%3D1S%2FC7H6N2O3%2Fc8-7%2810%295-1-3-6%284-2-5%299%2811%2912%2Fh1-4H%2C%28H2%2C8%2C10%29,12.0,6.0,3.0,18.0,6.0,-0.681400001049042,2.0,1.67999994754791,1.19200003147125,0.0,10.3273000717163,1.0,12.0,0.464305967092514
InChI%3D1S%2FC8H11N%2Fc1-2-7-3-5-8%289%296-4-7%2Fh3-6H%2C2%2C9H2%2C1H3,9.0,6.0,2.0,20.0,6.0,0.317999988794327,1.0,2.23000001907349,1.39100003242493,2.0,43.6360015869141,1.0,7.0,0.101124003529549
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3%2B,6.0,0.0,7.0,19.0,0.0,-0.505599975585938,3.0,2.00999999046326,1.47300004959106,6.0,29.3173007965088,1.0,2.0,0.255631357431412
InChI%3D1S%2FC11H16ClO2PS3%2Fc1-3-13-15%2816%2C14-4-2%2918-9-17-11-7-5-10%2812%296-8-11%2Fh5-8H%2C3-4%2C9H2%2C1-2H3,18.0,6.0,11.0,34.0,6.0,3.98539996147156,8.0,1.89999997615814,4.23000001907349,2.0,92.4509963989258,0.0,6.0,15.8834133148193
InChI%3D1S%2FC6H6O%2Fc7-6-4-2-1-3-5-6%2Fh1-5%2C7H,7.0,6.0,0.0,13.0,6.0,0.840300023555756,0.0,2.00999999046326,0.945999979972839,0.0,32.5612983703613,1.0,7.0,0.706104099750519
InChI%3D1S%2FC15H26O%2Fc1-6-15%285%2C16%2912-8-11-14%284%2910-7-9-13%282%293%2Fh6%2C9%2C11%2C16H%2C1%2C7-8%2C10%2C12H2%2C2-5H3%2Fb14-11%2B,15.0,0.0,16.0,42.0,0.0,3.7014000415802,7.0,3.0,4.28999996185303,12.0,73.6714019775391,1.0,2.0,13.7003622055054
InChI%3D1S%2FC12H11NO3S%2Fc14-17%2815%2C16%2912-7-4-8-13%2810-12%299-11-5-2-1-3-6-11%2Fh1-8%2C10H%2C9H2,18.0,6.0,4.0,33.0,6.0,2.97769999504089,3.0,2.23000001907349,3.79500007629395,0.0,137.143600463867,0.0,6.0,8.86669731140137
InChI%3D1S%2FC6H10%2Fc1-5%282%296%283%294%2Fh1%2C3H2%2C2%2C4H3,5.0,0.0,6.0,16.0,0.0,2.30780005455017,1.0,2.11999988555908,2.74000000953674,4.0,28.8584003448486,0.0,4.0,5.32594060897827
InChI%3D1S%2FC4H5NO%2Fc1-4-2-6-3-5-4%2Fh2-3H%2C1H3,6.0,0.0,0.0,15.0,0.0,-0.556500017642975,0.0,1.67999994754791,0.0209999997168779,0.0,23.1618003845215,1.0,0.0,0.30969226360321
InChI%3D1S%2FC14H23NO4%2Fc1-16-7-5-6-15-10-11-8-12%2817-2%2914%2819-4%2913%289-11%2918-3%2Fh8-9%2C15H%2C5-7%2C10H2%2C1-4H3,19.0,6.0,7.0,42.0,6.0,-1.01339995861053,9.0,2.45000004768372,1.1710000038147,3.0,77.3302001953125,1.0,9.0,1.02697956562042
InChI%3D1S%2FC7H5NO3%2Fc9-5-6-1-3-7%284-2-6%298%2810%2911%2Fh1-5H,11.0,6.0,2.0,16.0,6.0,-0.238999992609024,2.0,1.78999996185303,2.33400011062622,0.0,9.17969989776611,0.0,11.0,0.0571210011839867
InChI%3D1S%2FC8H10%2Fc1-2-8-6-4-3-5-7-8%2Fh3-7H%2C2H2%2C1H3,8.0,6.0,2.0,18.0,6.0,1.51470005512238,1.0,2.33999991416931,2.93799996376038,2.0,40.0862007141113,0.0,6.0,2.2943160533905
InChI%3D1S%2FC6H12O%2Fc1-2-3-4-5-6-7%2Fh3-4%2C7H%2C2%2C5-6H2%2C1H3%2Fb4-3-,6.0,0.0,7.0,19.0,0.0,-0.505599975585938,3.0,2.00999999046326,1.47300004959106,6.0,29.3173007965088,1.0,2.0,0.255631357431412
InChI%3D1S%2FC6H12ClN.ClH%2Fc7-3-6-8-4-1-2-5-8%3B%2Fh1-6H2%3B1H,8.0,0.0,3.0,22.0,0.0,0.227899998426437,2.0,1.78999996185303,1.84599995613098,2.0,33.1856002807617,0.0,0.0,0.0519384108483791
InChI%3D1S%2FC3H9NO%2Fc1-3%285%292-4%2Fh3%2C5H%2C2%2C4H2%2C1H3,4.0,0.0,5.0,14.0,0.0,-1.19770002365112,1.0,1.57000005245209,-0.814999997615814,3.0,20.7954998016357,2.0,0.0,1.43448531627655
InChI%3D1S%2FC8H14%2Fc1-7%282%295-6-8%283%294%2Fh5-6H%2C1-4H3,7.0,0.0,8.0,22.0,0.0,3.11240005493164,1.0,2.33999991416931,3.12800002098083,6.0,40.2053985595703,0.0,4.0,9.68703365325928
InChI%3D1S%2FC6H4Cl2O2%2Fc7-3-1-5%289%296%2810%292-4%283%298%2Fh1-2%2C9-10H,10.0,6.0,0.0,14.0,6.0,1.01460003852844,0.0,1.67999994754791,2.23699998855591,0.0,43.5992012023926,2.0,8.0,1.02941310405731
InChI%3D1S%2FC9H13N%2Fc1-3-10-9-6-4-5-8%282%297-9%2Fh4-7%2C10H%2C3H2%2C1-2H3,10.0,6.0,3.0,23.0,6.0,1.33529996871948,2.0,2.33999991416931,1.81299996376038,2.0,47.8559989929199,1.0,7.0,1.78302609920502
InChI%3D1S%2FC14H26O4%2Fc1-3-17-13%2815%2911-9-7-5-6-8-10-12-14%2816%2918-4-2%2Fh3-12H2%2C1-2H3,17.0,0.0,18.0,44.0,0.0,-1.13520002365112,13.0,2.55999994277954,3.76999998092651,10.0,59.1324005126953,0.0,3.0,1.28867900371552
InChI%3D1S%2FC3H2N2%2Fc4-2-1-3-5%2Fh1H2,4.0,0.0,5.0,7.0,0.0,0.10419999808073,0.0,1.57000005245209,-0.657000005245209,3.0,16.9463996887207,0.0,2.0,0.0108576398342848
InChI%3D1S%2FC10H14O%2Fc11-10-8-2-6-1-7%284-8%295-9%2810%293-6%2Fh6-9H%2C1-5H2,13.0,0.0,0.0,25.0,0.0,-0.853399991989136,0.0,2.45000004768372,1.84200000762939,0.0,42.521800994873,0.0,2.0,0.728291571140289
InChI%3D1S%2FC6H4ClNO2%2Fc7-5-2-1-3-6%284-5%298%289%2910%2Fh1-4H,10.0,6.0,3.0,14.0,6.0,0.697700023651123,1.0,1.67999994754791,2.77900004386902,0.0,8.50139999389648,0.0,9.0,0.486785292625427
InChI%3D1S%2FC6H5ClN2O2%2Fc7-5-3-4%289%2810%2911%291-2-6%285%298%2Fh1-3H%2C8H2,11.0,6.0,2.0,16.0,6.0,-0.0522000007331371,1.0,1.57000005245209,1.74899995326996,0.0,12.72350025177,1.0,10.0,0.00272484007291496
InChI%3D1S%2FC2H5NO%2Fc1-2-3-4%2Fh2%2C4H%2C1H3,3.0,0.0,4.0,9.0,0.0,-0.140599995851517,0.0,1.46000003814697,0.577000021934509,2.0,15.2531995773315,1.0,3.0,0.0197683591395617
InChI%3D1S%2FC7H5ClO2%2Fc8-6-1-2-7%2810%295%283-6%294-9%2Fh1-4%2C10H,10.0,6.0,2.0,15.0,6.0,0.820999979972839,1.0,1.89999997615814,1.35500001907349,0.0,42.3512992858887,1.0,9.0,0.674040973186493
InChI%3D1S%2FC10H23N%2Fc1-2-3-4-5-6-7-8-9-10-11%2Fh2-11H2%2C1H3,10.0,0.0,11.0,34.0,0.0,-2.9909999370575,8.0,2.45000004768372,4.19799995422363,10.0,38.1258010864258,1.0,0.0,8.94608116149902
InChI%3D1S%2FC8H14O%2Fc1-3-5-6-7-8%289%294-2%2Fh2%2C8-9H%2C3%2C5-7H2%2C1H3,8.0,0.0,9.0,23.0,0.0,-0.846499979496002,4.0,2.23000001907349,2.35999989509583,8.0,31.2717990875244,1.0,2.0,0.716562271118164
InChI%3D1S%2FC13H29N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13-14%2Fh2-14H2%2C1H3,8.0,0.0,0.0,21.0,0.0,-0.0993999987840652,0.0,1.89999997615814,0.940999984741211,0.0,31.9680995941162,1.0,0.0,0.00988036021590233
InChI%3D1S%2FC12H9NO3%2Fc14-13%2815%2910-6-8-12%289-7-10%2916-11-4-2-1-3-5-11%2Fh1-9H,17.0,12.0,3.0,25.0,12.0,-0.200699999928474,3.0,2.33999991416931,4.78200006484985,0.0,4.5048999786377,0.0,16.0,0.0402804911136627
InChI%3D1S%2FC6H10O%2Fc1-4-6%283%2C7%295-2%2Fh1%2C7H%2C5H2%2C2-3H3,6.0,0.0,7.0,17.0,0.0,0.222499996423721,1.0,2.00999999046326,0.763000011444092,5.0,27.1746006011963,1.0,2.0,0.0495062507688999
InChI%3D1S%2FC4H11N%2Fc1-2-3-4-5%2Fh2-5H2%2C1H3,4.0,0.0,5.0,16.0,0.0,-1.26300001144409,2.0,1.78999996185303,0.783999979496002,4.0,20.6562004089355,1.0,0.0,1.59516894817352
InChI%3D1S%2FC6H4Br2%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4H,8.0,6.0,0.0,12.0,6.0,2.30879998207092,0.0,1.89999997615814,2.32200002670288,0.0,46.0242004394531,0.0,6.0,5.33055734634399
InChI%3D1S%2FCHI3%2Fc2-1%283%294%2Fh1H,3.0,0.0,3.0,5.0,0.0,0.718400001525879,0.0,1.24000000953674,3.68799996376038,0.0,45.6068992614746,0.0,0.0,0.51609855890274
InChI%3D1S%2FC2H3Cl2NO%2Fc3-1%284%292%285%296%2Fh1H%2C%28H2%2C5%2C6%29,5.0,0.0,6.0,9.0,0.0,1.12339997291565,1.0,1.24000000953674,0.976999998092651,2.0,23.8766002655029,2.0,3.0,1.26202750205994
InChI%3D1S%2FC6H13NO%2Fc1-5-3-7-4-6%282%298-5%2Fh5-7H%2C3-4H2%2C1-2H3,8.0,0.0,0.0,21.0,0.0,-0.549499988555908,0.0,1.89999997615814,0.34400001168251,0.0,32.9366989135742,1.0,0.0,0.301950246095657
InChI%3D1S%2FC8H19N%2Fc1-7%282%2C3%296-8%284%2C5%299%2Fh6%2C9H2%2C1-5H3,8.0,0.0,9.0,28.0,0.0,1.72160005569458,2.0,2.23000001907349,2.77500009536743,5.0,41.8714981079102,1.0,0.0,2.96390652656555
InChI%3D1S%2FC8H8O3%2Fc1-11-8-4-6%285-9%292-3-7%288%2910%2Fh2-5%2C10H%2C1H3,11.0,6.0,2.0,19.0,6.0,-0.0463000014424324,2.0,2.00999999046326,0.58899998664856,0.0,44.2785987854004,1.0,10.0,0.00214368989691138
InChI%3D1S%2FC8H8ClNO%2Fc1-6-7%289%293-2-4-8%286%2910-5-11%2Fh2-5H%2C1H3%2C%28H%2C10%2C11%29,11.0,6.0,3.0,19.0,6.0,1.62119996547699,1.0,2.00999999046326,1.21899998188019,0.0,49.1105003356934,1.0,9.0,2.62828946113586
InChI%3D1S%2FC9H12%2Fc1-7-4-5-8%282%299%283%296-7%2Fh4-6H%2C1-3H3,9.0,6.0,0.0,21.0,6.0,2.74259996414185,0.0,2.45000004768372,3.25799989700317,0.0,43.8017997741699,0.0,6.0,7.52185487747192
InChI%3D1S%2FC7H12O2%2Fc1-4-7%288%299-5-6%282%293%2Fh4%2C6H%2C1%2C5H2%2C2-3H3,8.0,0.0,9.0,21.0,0.0,1.09420001506805,4.0,2.00999999046326,1.61099994182587,3.0,35.3437995910645,0.0,5.0,1.1972736120224
InChI%3D1S%2FC8H16O2%2Fc1-3-4-5-6-7-10-8%282%299%2Fh3-7H2%2C1-2H3,9.0,0.0,10.0,26.0,0.0,-1.17030000686646,6.0,2.11999988555908,2.72900009155273,6.0,33.9734001159668,0.0,3.0,1.36960208415985
InChI%3D1S%2FC6H4N2O4%2Fc9-7%2810%295-1-2-6%284-3-5%298%2811%2912%2Fh1-4H,12.0,6.0,3.0,16.0,6.0,-0.0931999981403351,2.0,1.46000003814697,2.5699999332428,0.0,5.77159976959229,0.0,12.0,0.00868623983114958
InChI%3D1S%2FC3H6Br2%2Fc4-2-1-3-5%2Fh1-3H2,4.0,0.0,5.0,11.0,0.0,1.51279997825623,2.0,1.57000005245209,2.7739999294281,3.0,29.534200668335,0.0,0.0,2.28856372833252
InChI%3D1S%2FC7H7NO%2Fc1-6%289%297-2-4-8-5-3-7%2Fh2-5H%2C1H3,9.0,6.0,3.0,16.0,6.0,-0.73089998960495,1.0,2.00999999046326,-0.24600000679493,2.0,36.9365997314453,0.0,8.0,0.534214794635773
InChI%3D1S%2FC4H4O%2Fc1-2-4-5-3-1%2Fh1-4H,5.0,0.0,0.0,11.0,0.0,-0.483700007200241,0.0,1.78999996185303,0.757000029087067,0.0,18.8031997680664,0.0,3.0,0.233965694904327
InChI%3D1S%2FC16H22O4%2Fc1-3-5-11-19-15%2817%2913-7-9-14%2810-8-13%2916%2818%2920-12-6-4-2%2Fh7-10H%2C3-6%2C11-12H2%2C1-2H3,20.0,6.0,7.0,42.0,6.0,-0.196199998259544,10.0,2.77999997138977,3.22399997711182,4.0,73.9672012329102,0.0,12.0,0.0384944416582584
InChI%3D1S%2FC9H7NO2%2Fc1-12-9%2811%298-4-2-7%286-10%293-5-8%2Fh2-5H%2C1H3,12.0,6.0,4.0,19.0,6.0,1.05809998512268,2.0,2.11999988555908,0.310999989509583,0.0,46.7025985717773,0.0,11.0,1.11957561969757
InChI%3D1S%2FC9H15NO6%2Fc1-4-14-7%2811%2910%288%2812%2915-5-2%299%2813%2916-6-3%2Fh4-6H2%2C1-3H3,15.0,0.0,16.0,31.0,0.0,1.8286999464035,9.0,1.67999994754791,1.37399995326996,2.0,51.3498992919922,0.0,10.0,3.3441436290741
InChI%3D1S%2FC7H5F4N%2Fc8-4-1-2-6%2812%295%283-4%297%289%2C10%2911%2Fh1-3H%2C12H2,12.0,6.0,3.0,17.0,6.0,1.01900005340576,1.0,1.67999994754791,1.32000005245209,0.0,39.847900390625,1.0,7.0,1.03836095333099
InChI%3D1S%2FC7H5Cl2NO%2Fc8-4-1-2-5%287%2810%2911%296%289%293-4%2Fh1-3H%2C%28H2%2C10%2C11%29,11.0,6.0,3.0,16.0,6.0,1.86360001564026,1.0,1.78999996185303,1.90900003910065,0.0,47.6445007324219,2.0,9.0,3.47300505638123
InChI%3D1S%2FC3H9N%2Fc1-2-3-4%2Fh2-4H2%2C1H3,3.0,0.0,4.0,13.0,0.0,-0.975000023841858,1.0,1.67999994754791,0.215000003576279,3.0,17.7446002960205,1.0,0.0,0.950625002384186
InChI%3D1S%2FC7H7ClO%2Fc1-5-4-6%289%292-3-7%285%298%2Fh2-4%2C9H%2C1H3,9.0,6.0,0.0,16.0,6.0,1.6554000377655,0.0,2.00999999046326,1.49300003051758,0.0,41.5595016479492,1.0,7.0,2.74034905433655
InChI%3D1S%2FC6H6N2O3%2Fc7-4-1-2-6%289%295%283-4%298%2810%2911%2Fh1-3%2C9H%2C7H2,11.0,6.0,2.0,17.0,6.0,-1.25680005550385,1.0,1.57000005245209,1.54799997806549,0.0,9.67249965667725,2.0,11.0,1.57954621315002
InChI%3D1S%2FC2H7NO%2Fc3-1-2-4%2Fh4H%2C1-3H2,3.0,0.0,4.0,11.0,0.0,-1.18700003623962,1.0,1.46000003814697,-1.27499997615814,2.0,16.2110996246338,2.0,0.0,1.40896904468536
InChI%3D1S%2FC11H16O%2Fc1-11%282%2C12%299-8-10-6-4-3-5-7-10%2Fh3-7%2C12H%2C8-9H2%2C1-2H3,12.0,6.0,6.0,28.0,6.0,1.65960001945496,3.0,2.55999994277954,2.61899995803833,4.0,55.3855018615723,1.0,6.0,2.75427222251892
InChI%3D1S%2FC12H20O4%2Fc1-3-5-9-15-11%2813%297-8-12%2814%2916-10-6-4-2%2Fh7-8H%2C3-6%2C9-10H2%2C1-2H3,15.0,0.0,16.0,36.0,0.0,-0.953999996185303,10.0,2.33999991416931,2.92600011825562,4.0,55.6199989318848,0.0,8.0,0.910116016864777
InChI%3D1S%2FC12H27O4P%2Fc1-4-7-10-14-17%2813%2C15-11-8-5-2%2916-12-9-6-3%2Fh4-12H2%2C1-3H3,16.0,0.0,17.0,44.0,0.0,-1.63800001144409,12.0,2.23000001907349,3.35999989509583,4.0,60.3110008239746,0.0,5.0,2.68304395675659
InChI%3D1S%2FC10H14O%2Fc1-2-3-9-11-10-7-5-4-6-8-10%2Fh4-8H%2C2-3%2C9H2%2C1H3,11.0,6.0,5.0,25.0,6.0,0.289400011301041,4.0,2.45000004768372,2.61700010299683,4.0,48.3367004394531,0.0,7.0,0.0837523564696312
InChI%3D1S%2FC9H10Cl2N2O%2Fc1-13%282%299%2814%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C1-2H3%2C%28H%2C12%2C14%29,14.0,6.0,6.0,24.0,6.0,1.82410001754761,2.0,1.89999997615814,2.31599998474121,0.0,62.086799621582,1.0,10.0,3.32734084129333
InChI%3D1S%2FC3H10N2%2Fc4-2-1-3-5%2Fh1-5H2,4.0,0.0,5.0,15.0,0.0,-1.76460003852844,2.0,1.57000005245209,-0.984000027179718,3.0,20.7801990509033,2.0,0.0,3.11381316184998
InChI%3D1S%2FC8H16O%2Fc1-7%282%295-6-8%283%2C4%299-7%2Fh5-6H2%2C1-4H3,9.0,0.0,0.0,25.0,0.0,1.54530000686646,0.0,2.23000001907349,2.27999997138977,0.0,38.0587005615234,0.0,0.0,2.38795208930969
InChI%3D1S%2FC4H8Cl2%2Fc5-3-1-2-4-6%2Fh1-4H2,5.0,0.0,6.0,14.0,0.0,0.935800015926361,3.0,1.67999994754791,2.45600008964539,4.0,26.4787998199463,0.0,0.0,0.875721633434296
InChI%3D1S%2FC8H11N%2Fc1-3-8-5-4-7%282%299-6-8%2Fh4-6H%2C3H2%2C1-2H3,9.0,6.0,2.0,20.0,6.0,-0.231600001454353,1.0,2.23000001907349,0.785000026226044,2.0,40.9931983947754,0.0,6.0,0.0536385588347912
InChI%3D1S%2FC7H12O%2Fc1-5-7%284%2C8%296%282%293%2Fh1%2C6%2C8H%2C2-4H3,7.0,0.0,8.0,20.0,0.0,1.0320999622345,1.0,2.11999988555908,1.05999994277954,5.0,32.6320991516113,1.0,2.0,1.06523036956787
InChI%3D1S%2FC6H5NO2%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H,9.0,6.0,3.0,14.0,6.0,-0.0465999990701675,1.0,1.78999996185303,2.89400005340576,0.0,2.88579988479614,0.0,9.0,0.00217155995778739
InChI%3D1S%2FC12H23N%2Fc1-2-3-4-5-6-7-8-9-10-11-12-13%2Fh2-11H2%2C1H3,12.0,0.0,13.0,36.0,0.0,-2.47119998931885,9.0,2.67000007629395,5.40500020980835,12.0,42.8508987426758,0.0,1.0,6.10682964324951
InChI%3D1S%2FC8H8O3%2Fc1-11-7-4-2-3-6%285-9%298%287%2910%2Fh2-5%2C10H%2C1H3,11.0,6.0,2.0,19.0,6.0,-0.0463000014424324,2.0,2.00999999046326,1.01800000667572,0.0,44.2785987854004,1.0,10.0,0.00214368989691138
InChI%3D1S%2FC6H4N2O5%2Fc9-6-3-4%287%2810%2911%291-2-5%286%298%2812%2913%2Fh1-3%2C9H,13.0,6.0,2.0,17.0,6.0,-0.55349999666214,2.0,1.35000002384186,2.46499991416931,0.0,8.33619976043701,1.0,13.0,0.306362241506577
InChI%3D1S%2FC11H9N%2Fc1-2-4-10%285-3-1%2911-6-8-12-9-7-11%2Fh1-9H,13.0,12.0,0.0,21.0,12.0,0.730799973011017,1.0,2.55999994277954,1.79499995708466,0.0,55.9019012451172,0.0,12.0,0.534068644046783
InChI%3D1S%2FC11H18N2O2S.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1,16.0,0.0,5.0,34.0,0.0,,4.0,2.00999999046326,2.61400008201599,5.0,,1.0,8.0,
InChI%3D1S%2FC8H6O%2Fc1-2-4-8-7%283-1%295-6-9-8%2Fh1-6H,10.0,6.0,0.0,17.0,6.0,0.874100029468536,0.0,2.23000001907349,1.067999958992,0.0,39.8465003967285,0.0,7.0,0.764050781726837
InChI%3D1S%2FC13H10O3%2Fc14-12-9-5-4-8-11%2812%2913%2815%2916-10-6-2-1-3-7-10%2Fh1-9%2C14H,17.0,12.0,3.0,26.0,12.0,1.51020002365112,3.0,2.55999994277954,2.125,0.0,67.9163970947266,1.0,16.0,2.28070402145386
InChI%3D1S%2FC8H7BrO3%2Fc1-12-7-3-5%284-10%292-6%289%298%287%2911%2Fh2-4%2C11H%2C1H3,12.0,6.0,2.0,19.0,6.0,0.406399995088577,2.0,1.89999997615814,1.34200000762939,0.0,51.812801361084,1.0,10.0,0.165160953998566
InChI%3D1S%2FC9H10O3%2Fc1-6%2810%298-4-3-7%2812-2%295-9%288%2911%2Fh3-5%2C11H%2C1-2H3,12.0,6.0,2.0,22.0,6.0,-0.107799999415874,2.0,2.11999988555908,1.19900000095367,0.0,48.7551002502441,1.0,10.0,0.0116208400577307
InChI%3D1S%2FC3H4Cl2%2Fc4-2-1-3-5%2Fh1-2H%2C3H2%2Fb2-1%2B,4.0,0.0,5.0,9.0,0.0,1.51820003986359,1.0,1.57000005245209,2.09899997711182,3.0,25.2765998840332,0.0,2.0,2.30493116378784
InChI%3D1S%2FC7H17N%2Fc1-2-3-4-5-6-7-8%2Fh2-8H2%2C1H3,7.0,0.0,8.0,25.0,0.0,-2.12700009346008,5.0,2.11999988555908,2.4909999370575,7.0,29.3910007476807,1.0,0.0,4.52412891387939
InChI%3D1S%2FC7H9N%2Fc1-6-2-4-7%288%295-3-6%2Fh2-5H%2C8H2%2C1H3,8.0,6.0,0.0,17.0,6.0,0.65310001373291,0.0,2.11999988555908,0.926999986171722,0.0,38.7876014709473,1.0,7.0,0.426539599895477
InChI%3D1S%2FC8H9NO%2Fc1-6%2810%297-3-2-4-8%289%295-7%2Fh2-5H%2C9H2%2C1H3,10.0,6.0,3.0,19.0,6.0,-0.242799997329712,1.0,2.11999988555908,0.119000002741814,2.0,44.0559005737305,1.0,9.0,0.0589518398046494
InChI%3D1S%2FC12H17NO2%2Fc1-12%282%2C3%299-5-7-10%288-6-9%2915-11%2814%2913-4%2Fh5-8H%2C1-4H3%2C%28H%2C13%2C14%29,15.0,6.0,5.0,32.0,6.0,2.5524001121521,3.0,2.45000004768372,3.13299989700317,0.0,63.434398651123,1.0,10.0,6.51474571228027
InChI%3D1S%2FC8H8O4%2Fc1-12-8%2811%296-3-2-5%289%294-7%286%2910%2Fh2-4%2C9-10H%2C1H3,12.0,6.0,4.0,20.0,6.0,0.092799998819828,2.0,1.89999997615814,0.936999976634979,0.0,44.9351005554199,2.0,11.0,0.00861184019595385
InChI%3D1S%2FC4H11N%2Fc1-3-4%282%295%2Fh4H%2C3%2C5H2%2C1-2H3,4.0,0.0,5.0,16.0,0.0,-0.985700011253357,1.0,1.78999996185303,0.675000011920929,4.0,22.3290004730225,1.0,0.0,0.971604466438293
InChI%3D1S%2FC7H6O2.Na%2Fc8-7%289%296-4-2-1-3-5-6%3B%2Fh1-5H%2C%28H%2C8%2C9%29%3B%2Fq%3B%2B1%2Fp-1,9.0,6.0,3.0,15.0,6.0,,1.0,1.89999997615814,2.18499994277954,0.0,,0.0,9.0,
InChI%3D1S%2FC7H4ClNO3%2Fc8-7-2-1-6%289%2811%2912%293-5%287%294-10%2Fh1-4H,12.0,6.0,2.0,16.0,6.0,0.505299985408783,2.0,1.67999994754791,2.4300000667572,0.0,14.7952995300293,0.0,11.0,0.255328088998795
InChI%3D1S%2FC9H11NO2%2Fc1-2-12-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3,12.0,6.0,5.0,23.0,6.0,0.272700011730194,3.0,2.11999988555908,0.601000010967255,2.0,49.567699432373,1.0,10.0,0.0743652880191803
InChI%3D1S%2FC7H7NO2%2Fc8-7%2810%295-3-1-2-4-6%285%299%2Fh1-4%2C9H%2C%28H2%2C8%2C10%29,10.0,6.0,3.0,17.0,6.0,0.563099980354309,1.0,1.89999997615814,1.31400001049042,0.0,39.8176002502441,3.0,10.0,0.317081600427628
InChI%3D1S%2FC10H20O%2Fc1-3-4-5-6-7-8-9-10%282%2911%2Fh3-9H2%2C1-2H3,10.0,0.0,11.0,31.0,0.0,-1.89579999446869,7.0,2.45000004768372,3.85199999809265,10.0,38.6879005432129,0.0,1.0,3.59405755996704
InChI%3D1S%2FC8H5Cl3O%2Fc1-4%2812%295-2-3-6%289%298%2811%297%285%2910%2Fh2-3H%2C1H3,12.0,6.0,3.0,17.0,6.0,2.05999994277954,1.0,1.89999997615814,2.34200000762939,2.0,54.6547012329102,0.0,8.0,4.2435998916626
InChI%3D1S%2FC7H6Cl2%2Fc1-5-2-3-6%288%297%289%294-5%2Fh2-4H%2C1H3,9.0,6.0,0.0,15.0,6.0,2.58719992637634,0.0,2.00999999046326,2.36199998855591,0.0,44.6702003479004,0.0,6.0,6.69360399246216
InChI%3D1S%2FC7H5NO3%2Fc9-5-6-3-1-2-4-7%286%298%2810%2911%2Fh1-5H,11.0,6.0,2.0,16.0,6.0,-0.238999992609024,2.0,1.78999996185303,2.54500007629395,0.0,9.17969989776611,0.0,11.0,0.0571210011839867
InChI%3D1S%2FC6H15N3%2Fc7-1-4-9-5-2-8-3-6-9%2Fh8H%2C1-7H2,9.0,0.0,3.0,24.0,0.0,-1.08749997615814,2.0,1.78999996185303,-1.30900001525879,2.0,38.6932983398438,2.0,0.0,1.18265628814697
InChI%3D1S%2FC9H14N.HI%2Fc1-10%282%2C3%299-7-5-4-6-8-9%3B%2Fh4-8H%2C1-3H3%3B1H%2Fq%2B1%3B%2Fp-1,10.0,6.0,4.0,25.0,6.0,,1.0,2.23000001907349,3.46499991416931,0.0,,0.0,7.0,
InChI%3D1S%2FC20H34O%2Fc1-7-19%285%2C21%2914-11-16-15%282%299-10-17-18%283%2C4%2912-8-13-20%2816%2C17%296%2Fh7%2C16-17%2C21H%2C1-2%2C8-14H2%2C3-6H3%2Ft16-%2C17%3F%2C19%2B%2C20%2B%2Fm0%2Fs1,22.0,0.0,7.0,55.0,0.0,2.50430011749268,4.0,3.54999995231628,7.24399995803833,5.0,89.8442993164062,1.0,2.0,6.27151870727539
InChI%3D1S%2FC9H10O3%2Fc1-2-12-9%2811%297-5-3-4-6-8%287%2910%2Fh3-6%2C10H%2C2H2%2C1H3,12.0,6.0,5.0,22.0,6.0,0.906300008296967,3.0,2.11999988555908,1.65199995040894,2.0,47.6234016418457,1.0,10.0,0.821379661560059
InChI%3D1S%2FC3H4O%2Fc1-2-3-4%2Fh1%2C4H%2C3H2,3.0,0.0,4.0,8.0,0.0,0.316199988126755,0.0,1.67999994754791,-0.231000006198883,3.0,15.0410003662109,1.0,2.0,0.0999824404716492
InChI%3D1S%2FC13H10O%2Fc14-13%2811-7-3-1-4-8-11%2912-9-5-2-6-10-12%2Fh1-10H,15.0,12.0,2.0,24.0,12.0,2.15179991722107,2.0,2.77999997138977,2.26600003242493,0.0,64.8173980712891,0.0,14.0,4.6302433013916
InChI%3D1S%2FC6H3Br3O%2Fc7-3-1-4%288%296%2810%295%289%292-3%2Fh1-2%2C10H,10.0,6.0,0.0,13.0,6.0,2.19840002059937,0.0,1.67999994754791,2.99399995803833,0.0,55.1638984680176,1.0,7.0,4.83296251296997
InChI%3D1S%2FC6H6%2Fc1-2-4-6-5-3-1%2Fh1-6H,6.0,6.0,0.0,12.0,6.0,1.40339994430542,0.0,2.11999988555908,2.08200001716614,0.0,30.9557991027832,0.0,6.0,1.96953153610229
InChI%3D1S%2FC2H5ClO%2Fc3-1-2-4%2Fh4H%2C1-2H2,3.0,0.0,4.0,9.0,0.0,0.307200014591217,1.0,1.46000003814697,0.266000002622604,2.0,17.6046009063721,1.0,0.0,0.0943718403577805
InChI%3D1S%2FC11H12O2%2Fc1-9%282%2911%2812%2913-8-10-6-4-3-5-7-10%2Fh3-7H%2C1%2C8H2%2C2H3,13.0,6.0,7.0,25.0,6.0,2.28220009803772,4.0,2.45000004768372,1.80599999427795,3.0,55.1688003540039,0.0,6.0,5.20843696594238
InChI%3D1S%2FC4Cl6%2Fc5-1%283%287%298%292%286%294%289%2910,9.0,0.0,10.0,10.0,0.0,3.6340000629425,1.0,1.24000000953674,4.4520001411438,4.0,50.6963996887207,0.0,4.0,13.2059564590454
InChI%3D1S%2FC8H18S%2Fc1-7%282%2C3%299-8%284%2C5%296%2Fh1-6H3,8.0,0.0,9.0,27.0,0.0,2.65779995918274,2.0,2.23000001907349,3.41100001335144,3.0,46.7944984436035,0.0,0.0,7.0639009475708
InChI%3D1S%2FC8H16O2%2Fc1-3-5-6-7-8%289%2910-4-2%2Fh3-7H2%2C1-2H3,9.0,0.0,10.0,26.0,0.0,-0.516300022602081,6.0,2.11999988555908,2.62400007247925,6.0,35.464900970459,0.0,3.0,0.266565680503845
InChI%3D1S%2FC6H14O%2Fc1-4-6%283%2C7%295-2%2Fh7H%2C4-5H2%2C1-3H3,6.0,0.0,7.0,21.0,0.0,-0.779100000858307,2.0,2.00999999046326,1.51699995994568,5.0,28.2206993103027,1.0,0.0,0.606996834278107
InChI%3D1S%2FC6H12O2%2Fc1-2-3-4-5-6%287%298%2Fh2-5H2%2C1H3%2C%28H%2C7%2C8%29,7.0,0.0,8.0,20.0,0.0,-1.01769995689392,4.0,1.89999997615814,1.87999999523163,6.0,26.4020004272461,1.0,3.0,1.03571331501007
InChI%3D1S%2FC10H11NO4%2Fc1-14-9%2812%296-3-4-7%288%2811%295-6%2910%2813%2915-2%2Fh3-5H%2C11H2%2C1-2H3,15.0,6.0,4.0,26.0,6.0,-0.162100002169609,4.0,2.00999999046326,0.460999995470047,0.0,56.0421981811523,1.0,13.0,0.0262764096260071
InChI%3D1S%2FC5H10O%2Fc1-4%282%295%283%296%2Fh4H%2C1-3H3,5.0,0.0,6.0,16.0,0.0,0.480399996042252,1.0,1.89999997615814,0.731000006198883,4.0,25.8570003509521,0.0,1.0,0.23078416287899
InChI%3D1S%2FC4H8O2%2Fc1-3-6-4%282%295%2Fh3H2%2C1-2H3,5.0,0.0,6.0,14.0,0.0,0.271499991416931,2.0,1.67999994754791,0.663999974727631,2.0,21.706600189209,0.0,3.0,0.0737122520804405
InChI%3D1S%2FC6H14O%2Fc1-2-3-4-5-6-7%2Fh7H%2C2-6H2%2C1H3,6.0,0.0,7.0,21.0,0.0,-1.54939997196198,4.0,2.00999999046326,1.9889999628067,6.0,24.8218994140625,1.0,0.0,2.40064024925232
InChI%3D1S%2FC9H9Cl%2Fc1-2-8-4-3-5-9%286-8%297-10%2Fh2-6H%2C1%2C7H2,10.0,6.0,2.0,19.0,6.0,2.47560000419617,2.0,2.33999991416931,2.72199988365173,2.0,48.9906005859375,0.0,8.0,6.12859535217285
InChI%3D1S%2FC11H16O%2Fc1-4-11%282%2C3%299-5-7-10%2812%298-6-9%2Fh5-8%2C12H%2C4H2%2C1-3H3,12.0,6.0,5.0,28.0,6.0,1.86580002307892,2.0,2.55999994277954,3.28699994087219,4.0,55.3163986206055,1.0,7.0,3.48120975494385
InChI%3D1S%2FC12H24O%2Fc1-3-4-5-6-7-8-9-10-11-12%282%2913%2Fh3-11H2%2C1-2H3,12.0,0.0,13.0,37.0,0.0,-2.47180008888245,9.0,2.67000007629395,4.98999977111816,12.0,44.511100769043,0.0,1.0,6.10979509353638
InChI%3D1S%2FC8H18O%2Fc1-3-5-6-8%284-2%297-9%2Fh8-9H%2C3-7H2%2C1-2H3,8.0,0.0,9.0,27.0,0.0,-1.26059997081757,5.0,2.23000001907349,2.85500001907349,7.0,35.0635986328125,1.0,0.0,1.58911240100861
InChI%3D1S%2FC8H7NO4%2Fc1-13-8%2810%296-2-4-7%285-3-6%299%2811%2912%2Fh2-5H%2C1H3,13.0,6.0,4.0,20.0,6.0,-0.0353999994695187,3.0,1.78999996185303,2.2409999370575,0.0,14.8741998672485,0.0,12.0,0.00125315994955599
InChI%3D1S%2FC10H14N2.H2O4S%2Fc1-12-7-3-5-10%2812%299-4-2-6-11-8-9%3B1-5%282%2C3%294%2Fh2%2C4%2C6%2C8%2C10H%2C3%2C5%2C7H2%2C1H3%3B%28H2%2C1%2C2%2C3%2C4%29,17.0,6.0,5.0,33.0,6.0,-1.1570999622345,1.0,1.78999996185303,-0.279000014066696,0.0,35.7252006530762,2.0,6.0,1.33888041973114
InChI%3D1S%2FC2H8N2%2Fc3-1-2-4%2Fh1-4H2,3.0,0.0,4.0,12.0,0.0,-1.47660005092621,1.0,1.46000003814697,-1.34200000762939,2.0,17.8686008453369,2.0,0.0,2.18034744262695
InChI%3D1S%2FC10H12N2.ClH%2Fc1-2-4-9%285-3-1%298-10-11-6-7-12-10%3B%2Fh1-5H%2C6-8H2%2C%28H%2C11%2C12%29%3B1H,13.0,6.0,0.0,26.0,6.0,-0.642799973487854,2.0,2.23000001907349,3.64199995994568,0.0,22.4853992462158,1.0,6.0,0.413191825151443
InChI%3D1S%2FC10H12N2O5%2Fc1-3-6%282%298-4-7%2811%2814%2915%295-9%2810%288%2913%2912%2816%2917%2Fh4-6%2C13H%2C3H2%2C1-2H3,17.0,6.0,4.0,29.0,6.0,-4.31040000915527,4.0,1.78999996185303,4.0939998626709,4.0,75.2729034423828,1.0,13.0,18.5795478820801
InChI%3D1S%2FC7H5F4N%2Fc8-6-2-1-4%2812%293-5%286%297%289%2C10%2911%2Fh1-3H%2C12H2,12.0,6.0,3.0,17.0,6.0,1.01900005340576,1.0,1.67999994754791,1.32000005245209,0.0,39.847900390625,1.0,7.0,1.03836095333099
InChI%3D1S%2FC7H3I2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,11.0,6.0,2.0,14.0,6.0,1.24440002441406,0.0,1.78999996185303,2.42199993133545,0.0,62.1787986755371,1.0,9.0,1.54853141307831
InChI%3D1S%2FC8H6ClN%2Fc1-6-3-2-4-8%289%297%286%295-10%2Fh2-4H%2C1H3,10.0,6.0,1.0,16.0,6.0,2.0576000213623,0.0,2.11999988555908,1.63699996471405,0.0,44.9324989318848,0.0,8.0,4.233717918396
InChI%3D1S%2FC4H3BrS%2Fc5-4-1-2-6-3-4%2Fh1-3H,6.0,0.0,0.0,13.0,0.0,1.16419994831085,0.0,1.67999994754791,2.30599999427795,0.0,32.1264991760254,0.0,0.0,1.35536158084869
InChI%3D1S%2FC15H12Cl4O2%2Fc1-15%282%2C7-3-9%2816%2913%2820%2910%2817%294-7%298-5-11%2818%2914%2821%2912%2819%296-8%2Fh3-6%2C20-21H%2C1-2H3,22.0,12.0,3.0,33.0,12.0,3.67840003967285,2.0,2.45000004768372,4.97800016403198,3.0,95.1718978881836,2.0,7.0,13.5306262969971
InChI%3D1S%2FC4H10O%2Fc1-4%282%293-5%2Fh4-5H%2C3H2%2C1-2H3,4.0,0.0,5.0,15.0,0.0,0.124200001358986,1.0,1.78999996185303,0.578999996185303,3.0,21.5445995330811,1.0,0.0,0.0154256401583552
InChI%3D1S%2FC9H11NO%2Fc1-2-9%2811%297-3-5-8%2810%296-4-7%2Fh3-6H%2C2%2C10H2%2C1H3,11.0,6.0,4.0,22.0,6.0,-0.166600003838539,2.0,2.23000001907349,0.372000008821487,3.0,49.0793991088867,1.0,9.0,0.0277555603533983
InChI%3D1S%2FC9H11Cl3NO3PS%2Fc1-3-14-17%2818%2C15-4-2%2916-9-7%2811%295-6%2810%298%2812%2913-9%2Fh5H%2C3-4H2%2C1-2H3,5.0,0.0,0.0,13.0,0.0,-0.706900000572205,0.0,1.78999996185303,0.526000022888184,0.0,16.86669921875,0.0,0.0,0.499707609415054
InChI%3D1S%2FC11H16N2O2%2Fc1-8-7-9%2815-11%2814%2912-2%295-6-10%288%2913%283%294%2Fh5-7H%2C1-4H3%2C%28H%2C12%2C14%29,15.0,6.0,5.0,31.0,6.0,1.40919995307922,3.0,2.23000001907349,1.86500000953674,0.0,63.4287986755371,1.0,11.0,1.98584461212158
InChI%3D1S%2FC2HCl3%2Fc3-1-2%284%295%2Fh1H,4.0,0.0,5.0,6.0,0.0,1.74279999732971,0.0,1.35000002384186,2.64199995994568,2.0,25.2621994018555,0.0,2.0,3.03735184669495
InChI%3D1S%2FC5H13N%2Fc1-2-3-4-5-6%2Fh2-6H2%2C1H3,5.0,0.0,6.0,19.0,0.0,-1.55099999904633,3.0,1.89999997615814,1.35300004482269,5.0,23.5678005218506,1.0,0.0,2.40560102462769
InChI%3D1S%2FC5H5N%2Fc1-2-4-6-5-3-1%2Fh1-5H,6.0,6.0,0.0,11.0,6.0,-0.281399995088577,0.0,1.89999997615814,-0.0410000011324883,0.0,27.3862991333008,0.0,6.0,0.079185962677002
InChI%3D1S%2FC8H18S2%2Fc1-3-5-9-7-8-10-6-4-2%2Fh3-8H2%2C1-2H3,9.0,0.0,10.0,28.0,0.0,0.754199981689453,7.0,2.11999988555908,3.71399998664856,3.0,52.0564002990723,0.0,0.0,0.568817615509033
InChI%3D1S%2FC9H9Cl2NO%2Fc1-2-9%2813%2912-6-3-4-7%2810%298%2811%295-6%2Fh3-5H%2C2H2%2C1H3%2C%28H%2C12%2C13%29,13.0,6.0,5.0,22.0,6.0,1.6985000371933,2.0,2.00999999046326,2.10400009155273,3.0,58.6402015686035,1.0,9.0,2.88490223884583
InChI%3D1S%2FC7H3Cl2NO%2Fc8-5-1-4%283-10%292-6%289%297%285%2911%2Fh1-2%2C11H,11.0,6.0,2.0,14.0,6.0,1.41680002212524,0.0,1.78999996185303,1.52999997138977,0.0,46.9721984863281,1.0,9.0,2.00732231140137
InChI%3D1S%2FC8H6BrNO5%2Fc1-15-8-6%2810%2813%2914%294%283-11%292-5%289%297%288%2912%2Fh2-3%2C12H%2C1H3,15.0,6.0,2.0,21.0,6.0,0.137700006365776,3.0,1.57000005245209,1.36099994182587,0.0,27.659200668335,1.0,13.0,0.0189612898975611
InChI%3D1S%2FC9H12O%2Fc1-2-3-8-4-6-9%2810%297-5-8%2Fh4-7%2C10H%2C2-3H2%2C1H3,10.0,6.0,3.0,22.0,6.0,0.470400005578995,2.0,2.33999991416931,2.37100005149841,3.0,45.0168991088867,1.0,7.0,0.221276164054871
InChI%3D1S%2FC3H5Cl3%2Fc4-1-3%286%292-5%2Fh3H%2C1-2H2,5.0,0.0,6.0,11.0,0.0,2.2056999206543,2.0,1.46000003814697,2.37899994850159,3.0,29.6690998077393,0.0,0.0,4.8651123046875
InChI%3D1S%2FC11H18N2O3.Na%2Fc1-4-6-7%283%2911%285-2%298%2814%2912-10%2816%2913-9%2811%2915%3B%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29%3B%2Fq%3B%2B1%2Fp-1,16.0,0.0,5.0,34.0,0.0,,4.0,2.00999999046326,3.06900000572205,5.0,,1.0,8.0,
InChI%3D1S%2FC7H4ClFO%2Fc8-6-2-1-3-7%289%295%286%294-10%2Fh1-4H,10.0,6.0,2.0,14.0,6.0,1.29390001296997,1.0,1.89999997615814,1.12300002574921,0.0,40.8736000061035,0.0,8.0,1.6741771697998
InChI%3D1S%2FC11H25N%2Fc1-2-3-4-5-6-7-8-9-10-11-12%2Fh2-12H2%2C1H3,11.0,0.0,12.0,37.0,0.0,-3.27900004386902,9.0,2.55999994277954,4.76700019836426,11.0,41.0373992919922,1.0,0.0,10.7518405914307
InChI%3D1S%2FC6H4Cl2%2Fc7-5-2-1-3-6%288%294-5%2Fh1-4H,8.0,6.0,0.0,12.0,6.0,2.14079999923706,0.0,1.89999997615814,1.97000002861023,0.0,40.3881988525391,0.0,6.0,4.58302450180054
InChI%3D1S%2FC11H8O2%2Fc1-7-6-10%2812%298-4-2-3-5-9%288%2911%287%2913%2Fh2-6H%2C1H3,14.0,6.0,0.0,21.0,6.0,1.29209995269775,0.0,2.45000004768372,0.672999978065491,0.0,53.7331008911133,0.0,12.0,1.66952240467072
InChI%3D1S%2FC7H16O%2Fc1-2-3-4-5-6-7-8%2Fh8H%2C2-7H2%2C1H3,7.0,0.0,8.0,24.0,0.0,-1.83739995956421,5.0,2.11999988555908,2.55800008773804,7.0,27.7334995269775,1.0,0.0,3.37603878974915
InChI%3D1S%2FC8H8N2O%2Fc1-5-3-6%282%2910-8%2811%297%285%294-9%2Fh3H%2C1-2H3%2C%28H%2C10%2C11%29,11.0,6.0,1.0,19.0,6.0,0.911700010299683,0.0,2.00999999046326,0.25,0.0,42.168701171875,1.0,9.0,0.831196904182434
InChI%3D1S%2FC7H12O4%2Fc1-3-10-6%288%295-7%289%2911-4-2%2Fh3-5H2%2C1-2H3,10.0,0.0,11.0,23.0,0.0,0.558000028133392,6.0,1.78999996185303,1.18900001049042,3.0,37.1136016845703,0.0,3.0,0.311363995075226
InChI%3D1S%2FC6H2Cl4O%2Fc7-2-1-3%288%296%2811%295%2810%294%282%299%2Fh1%2C11H,11.0,6.0,0.0,13.0,6.0,2.3150999546051,0.0,1.57000005245209,3.04299998283386,0.0,51.4261016845703,1.0,7.0,5.35968780517578
InChI%3D1S%2FC12H19NO%2Fc1-2-3-4-5-10-14-12-8-6-11%2813%297-9-12%2Fh6-9H%2C2-5%2C10%2C13H2%2C1H3,14.0,6.0,7.0,33.0,6.0,-1.48329997062683,6.0,2.55999994277954,3.05200004577637,6.0,57.7097015380859,1.0,8.0,2.20017886161804
InChI%3D1S%2FC12H10O%2Fc1-3-7-11%288-4-1%2913-12-9-5-2-6-10-12%2Fh1-10H,14.0,12.0,0.0,23.0,12.0,1.75909996032715,2.0,2.67000007629395,2.16300010681152,0.0,62.1861000061035,0.0,13.0,3.09443283081055
InChI%3D1S%2FC9H19NO%2Fc1-3-5-7-10%289-11%298-6-4-2%2Fh9H%2C3-8H2%2C1-2H3,10.0,0.0,11.0,30.0,0.0,-1.72990000247955,7.0,2.23000001907349,2.31599998474121,4.0,41.6621017456055,0.0,3.0,2.99255394935608
InChI%3D1S%2FC11H18N2O3%2Fc1-4-11%286-5-7%282%293%298%2814%2912-10%2816%2913-9%2811%2915%2Fh7H%2C4-6H2%2C1-3H3%2C%28H2%2C12%2C13%2C14%2C15%2C16%29,16.0,0.0,5.0,34.0,0.0,-0.232700005173683,4.0,2.11999988555908,3.06900000572205,4.0,58.051399230957,2.0,8.0,0.0541492886841297
InChI%3D1S%2FC7H7NO%2Fc8-7%289%296-4-2-1-3-5-6%2Fh1-5H%2C%28H2%2C8%2C9%29,9.0,6.0,3.0,16.0,6.0,1.12619996070862,1.0,2.00999999046326,1.38800001144409,0.0,38.212100982666,2.0,9.0,1.26832640171051
InChI%3D1S%2FC6H14S2%2Fc1-5%282%297-8-6%283%294%2Fh5-6H%2C1-4H3,7.0,0.0,8.0,22.0,0.0,1.28559994697571,3.0,1.89999997615814,2.87599992752075,3.0,45.9776000976562,0.0,0.0,1.65276730060577
InChI%3D1S%2FC8H7N%2Fc1-7-4-2-3-5-8%287%296-9%2Fh2-5H%2C1H3,9.0,6.0,1.0,16.0,6.0,1.68889999389648,0.0,2.23000001907349,1.48199999332428,0.0,40.2163009643555,0.0,8.0,2.85238313674927
InChI%3D1S%2FC11H15NO2%2Fc1-3-12%284-2%2910-6-5-9%288-13%2911%2814%297-10%2Fh5-8%2C14H%2C3-4H2%2C1-2H3,14.0,6.0,5.0,29.0,6.0,0.72409999370575,4.0,2.33999991416931,2.15799999237061,2.0,59.8418006896973,1.0,10.0,0.524320781230927
InChI%3D1S%2FCHCl3%2Fc2-1%283%294%2Fh1H,3.0,0.0,3.0,5.0,0.0,1.6172000169754,0.0,1.24000000953674,2.07399988174438,0.0,21.364200592041,0.0,0.0,2.6153359413147
InChI%3D1S%2FC7H9N%2Fc1-2-7-5-3-4-6-8-7%2Fh3-6H%2C2H2%2C1H3,8.0,6.0,2.0,17.0,6.0,-0.266699999570847,1.0,2.11999988555908,0.39300000667572,2.0,36.8862991333008,0.0,6.0,0.0711288899183273
InChI%3D1S%2FC4H6N2%2Fc1-4-5-2-3-6-4%2Fh2-3H%2C1H3%2C%28H%2C5%2C6%29,6.0,0.0,0.0,16.0,0.0,-0.344300001859665,0.0,1.67999994754791,-0.174999997019768,0.0,24.4801998138428,2.0,0.0,0.118542492389679
InChI%3D1S%2FC16H22O4%2Fc1-3-5-10-19-15%2817%2913-8-7-9-14%2812-13%2916%2818%2920-11-6-4-2%2Fh7-9%2C12H%2C3-6%2C10-11H2%2C1-2H3,20.0,6.0,7.0,42.0,6.0,-0.196199998259544,10.0,2.77999997138977,3.43499994277954,4.0,73.9672012329102,0.0,12.0,0.0384944416582584
InChI%3D1S%2FC9H11NO2.CH4O3S%2Fc1-2-12-9%2811%297-4-3-5-8%2810%296-7%3B1-5%282%2C3%294%2Fh3-6H%2C2%2C10H2%2C1H3%3B1H3%2C%28H%2C2%2C3%2C4%29,16.0,6.0,5.0,32.0,6.0,-0.927500009536743,3.0,1.78999996185303,,2.0,37.1203994750977,2.0,10.0,0.860256254673004
InChI%3D1S%2FC6H10O3%2Fc1-5%282%296%288%299-4-3-7%2Fh7H%2C1%2C3-4H2%2C2H3,8.0,0.0,9.0,19.0,0.0,0.625699996948242,4.0,1.78999996185303,0.00499999988824129,3.0,32.7098999023438,1.0,5.0,0.391500502824783
InChI%3D1S%2FC8H18S2%2Fc1-3-9-7-5-6-8-10-4-2%2Fh3-8H2%2C1-2H3,9.0,0.0,10.0,28.0,0.0,1.33379995822906,7.0,2.11999988555908,3.71399998664856,4.0,50.815601348877,0.0,0.0,1.77902245521545
InChI%3D1S%2FC13H11NO3%2Fc14-9-6-7-11%2812%2815%298-9%2913%2816%2917-10-4-2-1-3-5-10%2Fh1-8%2C15H%2C14H2,18.0,12.0,3.0,28.0,12.0,0.313499987125397,3.0,2.45000004768372,1.42200005054474,0.0,71.4662017822266,2.0,17.0,0.0982822477817535
InChI%3D1S%2FC7H8O%2Fc1-6-4-2-3-5-7%286%298%2Fh2-5%2C8H%2C1H3,8.0,6.0,0.0,16.0,6.0,1.28670001029968,0.0,2.11999988555908,1.12699997425079,0.0,36.8432998657227,1.0,7.0,1.65559685230255
InChI%3D1S%2FC11H16%2Fc1-2-3-5-8-11-9-6-4-7-10-11%2Fh4%2C6-7%2C9-10H%2C2-3%2C5%2C8H2%2C1H3,11.0,6.0,5.0,27.0,6.0,0.457500010728836,4.0,2.67000007629395,4.64499998092651,5.0,49.2346000671387,0.0,6.0,0.209306254982948
InChI%3D1S%2FC2Cl4%2Fc3-1%284%292%285%296,5.0,0.0,6.0,6.0,0.0,2.42880010604858,0.0,1.24000000953674,3.02600002288818,2.0,30.9454002380371,0.0,2.0,5.89906930923462
InChI%3D1S%2FC6H6BrN%2Fc7-5-1-3-6%288%294-2-5%2Fh1-4H%2C8H2,8.0,6.0,0.0,14.0,6.0,0.65939998626709,0.0,1.89999997615814,1.07700002193451,0.0,42.0397987365723,1.0,7.0,0.434808373451233
InChI%3D1S%2FC7H4Br2O2%2Fc8-5-1-4%283-10%297%2811%296%289%292-5%2Fh1-3%2C11H,11.0,6.0,2.0,15.0,6.0,1.35769999027252,1.0,1.78999996185303,2.28399991989136,0.0,52.703498840332,1.0,9.0,1.84334933757782
InChI%3D1S%2FC5H10N2O2S%2Fc1-4%2810-3%297-9-5%288%296-2%2Fh1-3H3%2C%28H%2C6%2C8%29,9.0,0.0,10.0,20.0,0.0,0.972699999809265,3.0,1.46000003814697,1.63300001621246,0.0,40.3573989868164,1.0,6.0,0.946145296096802
InChI%3D1S%2FC9H13N%2Fc1-8-4-6-9%287-5-8%2910%282%293%2Fh4-7H%2C1-3H3,10.0,6.0,2.0,23.0,6.0,1.62080001831055,1.0,2.33999991416931,1.95299994945526,0.0,48.8568992614746,0.0,7.0,2.62699270248413
InChI%3D1S%2FC2H2Cl4%2Fc3-1%284%292%285%296%2Fh1-2H,5.0,0.0,6.0,8.0,0.0,2.39919996261597,1.0,1.24000000953674,2.57599997520447,2.0,30.7637996673584,0.0,0.0,5.75616073608398
InChI%3D1S%2FC10H18%2Fc1-3-5-7-9-10-8-6-4-2%2Fh3-4H%2C1-2%2C5-10H2,9.0,0.0,10.0,28.0,0.0,0.774200022220612,7.0,2.55999994277954,5.2979998588562,10.0,40.8443984985352,0.0,2.0,0.599385619163513
InChI%3D1S%2FC6H5ClO%2Fc7-5-3-1-2-4-6%285%298%2Fh1-4%2C8H,8.0,6.0,0.0,13.0,6.0,1.20899999141693,0.0,1.89999997615814,1.31200003623962,0.0,37.2775001525879,1.0,7.0,1.46168100833893
InChI%3D1S%2FC8H5F3O%2Fc9-8%2810%2C11%297-3-1-2-6%284-7%295-12%2Fh1-5H,12.0,6.0,3.0,17.0,6.0,1.91789996623993,2.0,1.89999997615814,1.52100002765656,0.0,41.2440986633301,0.0,8.0,3.67834043502808
InChI%3D1S%2FC8H12N2O2S%2Fc1-3-9-6%2811%295-7%2812%2910%284-2%298%289%2913%2Fh3-5H2%2C1-2H3,13.0,0.0,2.0,25.0,0.0,0.764599978923798,2.0,1.78999996185303,-0.247999995946884,2.0,52.3466987609863,0.0,8.0,0.584613144397736
InChI%3D1S%2FC3H10N2%2Fc1-3%285%292-4%2Fh3H%2C2%2C4-5H2%2C1H3,4.0,0.0,5.0,15.0,0.0,-1.48730003833771,1.0,1.57000005245209,-0.882000029087067,3.0,22.4529991149902,2.0,0.0,2.21206140518188
InChI%3D1S%2FC7H16O%2Fc1-5%282%297%288%296%283%294%2Fh5-8H%2C1-4H3,7.0,0.0,8.0,24.0,0.0,0.63510000705719,2.0,2.11999988555908,1.69400000572205,5.0,34.4981002807617,1.0,0.0,0.403352022171021
InChI%3D1S%2FC7H9N%2Fc8-6-7-4-2-1-3-5-7%2Fh1-5H%2C6%2C8H2,8.0,6.0,2.0,17.0,6.0,0.469500005245209,1.0,2.11999988555908,0.526000022888184,0.0,38.6699981689453,1.0,6.0,0.220430254936218
InChI%3D1S%2FC6H5ClO2%2Fc7-4-1-2-5%288%296%289%293-4%2Fh1-3%2C8-9H,9.0,6.0,0.0,14.0,6.0,0.645900011062622,0.0,1.78999996185303,1.6599999666214,0.0,38.882999420166,2.0,8.0,0.417186796665192
InChI%3D1S%2FC6H12O2%2Fc1-3-4-5-8-6%282%297%2Fh3-5H2%2C1-2H3,7.0,0.0,8.0,20.0,0.0,-0.594299972057343,4.0,1.89999997615814,1.59099996089935,4.0,28.1501998901367,0.0,3.0,0.35319247841835
InChI%3D1S%2FC17H18O2%2Fc1-17%282%2C3%2914-7-9-15%2810-8-14%2919-16-6-4-5-13%2811-16%2912-18%2Fh4-12H%2C1-3H3,20.0,12.0,4.0,37.0,12.0,2.73169994354248,4.0,3.10999989509583,3.33800005912781,3.0,85.1666030883789,0.0,15.0,7.46218490600586
InChI%3D1S%2FC9H14O2%2Fc1-2-9%2810%2911-8-6-4-3-5-7-8%2Fh2%2C8H%2C1%2C3-7H2,11.0,0.0,5.0,25.0,0.0,-0.980700016021729,3.0,2.23000001907349,2.36100006103516,3.0,34.3196983337402,0.0,5.0,0.961772501468658
InChI%3D1S%2FCH2Cl2%2Fc2-1-3%2Fh1H2,2.0,0.0,2.0,5.0,0.0,1.07290005683899,0.0,1.35000002384186,1.51900005340576,0.0,16.4382991790771,0.0,0.0,1.15111446380615
InChI%3D1S%2FC8H11NO%2Fc10-6-2-4-8-3-1-5-9-7-8%2Fh1%2C3%2C5%2C7%2C10H%2C2%2C4%2C6H2,10.0,6.0,4.0,21.0,6.0,-1.15129995346069,3.0,2.11999988555908,-0.381000012159348,3.0,41.2200012207031,1.0,6.0,1.32549166679382
InChI%3D1S%2FC7H4Cl2O%2Fc8-6-2-1-5%284-10%297%289%293-6%2Fh1-4H,10.0,6.0,2.0,14.0,6.0,1.75279998779297,1.0,1.89999997615814,1.58399999141693,0.0,45.4620018005371,0.0,8.0,3.0723078250885
InChI%3D1S%2FC6H15NO%2Fc1-3-7%284-2%295-6-8%2Fh8H%2C3-6H2%2C1-2H3,7.0,0.0,8.0,23.0,0.0,0.28150001168251,4.0,1.89999997615814,0.200000002980232,2.0,34.8680000305176,1.0,0.0,0.0792422518134117
InChI%3D1S%2FC6H14S2%2Fc1-3-7-5-6-8-4-2%2Fh3-6H2%2C1-2H3,7.0,0.0,8.0,22.0,0.0,1.90980005264282,5.0,1.89999997615814,2.99799990653992,2.0,44.9924011230469,0.0,0.0,3.64733600616455
InChI%3D1S%2FC11H14O4%2Fc1-7%2812%298-5-6-9%2813-2%2911%2815-4%2910%288%2914-3%2Fh5-6H%2C1-4H3,15.0,6.0,2.0,29.0,6.0,-0.541899979114532,4.0,2.23000001907349,1.3309999704361,0.0,60.4365997314453,0.0,11.0,0.293655604124069
InChI%3D1S%2FC6H12O%2Fc1-5%287%296%282%2C3%294%2Fh1-4H3,6.0,0.0,7.0,19.0,0.0,1.30229997634888,1.0,2.00999999046326,0.931999981403351,4.0,29.8971996307373,0.0,1.0,1.69598531723022
InChI%3D1S%2FC6H4FNO2%2Fc7-5-1-3-6%284-2-5%298%289%2910%2Fh1-4H,10.0,6.0,3.0,14.0,6.0,0.817099988460541,1.0,1.67999994754791,2.72399997711182,0.0,104.348098754883,0.0,9.0,0.667652428150177
InChI%3D1S%2FC6H14%2Fc1-3-5-6-4-2%2Fh3-6H2%2C1-2H3,5.0,0.0,6.0,20.0,0.0,-1.04939997196198,3.0,2.11999988555908,3.75399994850159,6.0,23.4437999725342,0.0,0.0,1.10124039649963
InChI%3D1S%2FC13H26O%2Fc1-3-4-5-6-7-8-9-10-11-12-13%282%2914%2Fh3-12H2%2C1-2H3,13.0,0.0,14.0,40.0,0.0,-2.75979995727539,10.0,2.77999997138977,5.55900001525879,13.0,47.4226989746094,0.0,1.0,7.61649608612061
InChI%3D1S%2FC6H7N%2Fc7-6-4-2-1-3-5-6%2Fh1-5H%2C7H2,7.0,6.0,0.0,14.0,6.0,0.206699997186661,0.0,2.00999999046326,0.535000026226044,0.0,34.5055999755859,1.0,7.0,0.0427248887717724
InChI%3D1S%2FC10H16O%2Fc1-9%282%297-4-5-10%289%2C3%298%2811%296-7%2Fh7H%2C4-6H2%2C1-3H3,12.0,0.0,0.0,27.0,0.0,0.969299972057343,0.0,2.45000004768372,2.12700009346008,0.0,43.7625007629395,0.0,1.0,0.939542472362518
InChI%3D1S%2FC12H8BrNO%2Fc13-11-5-3-9%284-6-11%2912%2815%2910-2-1-7-14-8-10%2Fh1-8H,16.0,12.0,2.0,23.0,12.0,0.919700026512146,2.0,2.45000004768372,0.896000027656555,0.0,68.782096862793,0.0,14.0,0.845848083496094
InChI%3D1S%2FC7H13N3O3S%2Fc1-8-7%2812%2913-9-5%2814-4%296%2811%2910%282%293%2Fh1-4H3%2C%28H%2C8%2C12%29,13.0,0.0,14.0,27.0,0.0,0.532599985599518,5.0,1.46000003814697,0.953999996185303,2.0,53.7678985595703,1.0,9.0,0.283662766218185
InChI%3D1S%2FC7H4Cl4%2Fc8-4-2-1-3-5%289%296%284%297%2810%2911%2Fh1-3%2C7H,11.0,6.0,2.0,15.0,6.0,3.14479994773865,1.0,1.78999996185303,2.80200004577637,0.0,54.5499992370605,0.0,6.0,9.88976669311523