KEYS
****
A: Structure ID. 
B: Crystal Density, in grams per cubic centimeter (g/cm3). 
C: Lattice Energy, in kJ/mol. 
D: Number of hydrogen bonds per molecule. 
E: Number of pi-pi stacking modes per molecule. 
****

A,B,C,D,E
---------------------------------------
S2_00001,1.5957,-277.5531,12,10
S2_00002,1.4271,-256.245,10,9
S2_00003,1.3943,-255.2477,8,18
S2_00004,1.3565,-251.3241,8,17
S2_00005,1.3252,-250.0854,8,12
S2_00006,1.3833,-246.8035,8,12
S2_00007,1.3186,-246.119,8,10
S2_00008,1.5237,-246.0059,10,9
S2_00009,1.4237,-245.8539,8,0
S2_00010,1.2797,-244.5606,8,14
S2_00011,1.4797,-243.1243,8,14
S2_00012,1.452,-241.9064,6,15
S2_00013,1.3907,-241.0528,8,18
S2_00014,1.3362,-240.8161,8,8
S2_00015,1.3086,-236.3416,8,15
S2_00016,1.25,-234.8771,8,8
S2_00017,1.364,-233.6184,6,16
S2_00018,1.4423,-232.5031,8,0
S2_00019,1.1745,-231.7789,8,8
S2_00020,1.2703,-231.2189,8,4
S2_00021,1.4468,-230.6662,6,18
S2_00022,1.3696,-229.5157,6,20
S2_00023,1.4111,-229.1422,8,16
S2_00024,1.3527,-226.3635,6,13
S2_00025,1.3922,-224.4515,8,8
S2_00026,1.3807,-224.0474,8,14
S2_00027,1.2846,-224.0243,8,12
S2_00028,1.4607,-223.9542,6,12
S2_00029,1.2084,-223.88,8,4
S2_00030,1.0363,-223.4912,8,14
S2_00031,0.945,-223.2609,12,0
S2_00032,1.0628,-222.5096,8,5
S2_00033,1.3896,-221.8841,10,12
S2_00034,1.2439,-221.3694,8,0
S2_00035,1.3139,-221.1408,6,17
S2_00036,1.1016,-221.082,10,4
S2_00037,1.3296,-220.9296,6,19
S2_00038,1.3823,-220.9254,8,22
S2_00039,1.1937,-220.721,8,10
S2_00040,1.2504,-220.3109,6,10
S2_00041,1.1096,-220.2138,12,5
S2_00042,1.3553,-220.1066,8,2
S2_00043,1.3236,-220.0517,10,6
S2_00044,0.9829,-219.3514,10,6
S2_00045,1.0662,-219.2438,8,3
S2_00046,1.3934,-219.1141,6,14
S2_00047,1.1504,-219.0659,8,8
S2_00048,1.3972,-218.8697,6,14
S2_00049,1.2748,-218.8337,6,14
S2_00050,1.2448,-218.5189,10,1
S2_00051,1.3085,-218.491,8,8
S2_00052,1.3055,-218.3873,6,12
S2_00053,1.3039,-218.3689,8,4
S2_00054,1.1205,-218.3527,8,7
S2_00055,1.2822,-218.1445,6,6
S2_00056,1.1619,-218.039,8,4
S2_00057,1.1852,-217.8734,8,6
S2_00058,1.2012,-217.7007,10,6
S2_00059,1.221,-217.5556,8,6
S2_00060,1.0454,-217.45,10,0
S2_00061,1.2309,-217.1789,8,10
S2_00062,1.3502,-217.1734,8,12
S2_00063,1.2968,-217.0009,8,14
S2_00064,1.3585,-216.6468,12,8
S2_00065,1.3245,-216.4183,6,14
S2_00066,1.3421,-216.3116,8,12
S2_00067,1.3263,-216.0199,6,4
S2_00068,1.2443,-215.9841,12,0
S2_00069,1.1701,-215.8809,10,1
S2_00070,1.2954,-215.8606,10,0
S2_00071,1.1601,-215.4516,8,6
S2_00072,1.0149,-215.0414,8,11
S2_00073,1.1627,-214.8796,12,0
S2_00074,1.2931,-214.3103,8,10
S2_00075,1.0673,-214.1907,8,14
S2_00076,1.2046,-214.1817,8,0
S2_00077,1.2711,-213.7564,8,14
S2_00078,1.1721,-213.7528,8,9
S2_00079,1.2686,-213.715,8,3
S2_00080,1.3341,-213.6434,8,8
S2_00081,1.2837,-213.4289,4,4
S2_00082,1.4281,-213.3615,8,12
S2_00083,1.1484,-213.0863,8,0
S2_00084,1.3393,-213.0713,6,8
S2_00085,1.1659,-212.96,6,5
S2_00086,1.3468,-212.8971,8,10
S2_00087,1.3671,-212.868,8,9
S2_00088,1.164,-212.8281,8,7
S2_00089,1.3622,-212.8235,8,13
S2_00090,1.4146,-212.5704,10,8
S2_00091,1.2533,-212.5516,6,8
S2_00092,1.3186,-212.3115,8,6
S2_00093,1.2631,-212.2698,8,12
S2_00094,1.2106,-212.2173,8,2
S2_00095,1.226,-211.8256,8,4
S2_00096,1.1681,-211.7723,8,2
S2_00097,1.189,-211.5843,8,6
S2_00098,1.2503,-211.2616,6,0
S2_00099,1.2907,-211.2198,8,8
S2_00100,1.1469,-211.1961,8,8
S2_00101,1.2816,-210.9457,10,3
S2_00102,1.1361,-210.7996,6,6
S2_00103,1.3383,-210.6826,6,9
S2_00104,1.2805,-210.4922,6,8
S2_00105,0.8605,-210.4802,10,3
S2_00106,1.0712,-210.4094,8,8
S2_00107,1.2197,-210.3718,6,7
S2_00108,1.2313,-210.3426,10,6
S2_00109,1.2582,-210.3239,6,14
S2_00110,1.3312,-210.0242,8,10
S2_00111,1.2956,-209.972,10,11
S2_00112,1.1346,-209.8098,8,6
S2_00113,1.1745,-209.797,6,10
S2_00114,1.0776,-209.7906,8,0
S2_00115,1.2728,-209.635,6,12
S2_00116,1.3646,-209.596,6,11
S2_00117,1.4167,-209.4607,8,10
S2_00118,1.2275,-209.4501,6,12
S2_00119,1.3307,-209.29,4,10
S2_00120,1.4141,-209.1255,6,10
S2_00121,1.2333,-209.1159,10,8
S2_00122,0.9841,-208.9585,8,6
S2_00123,1.3282,-208.9549,8,3
S2_00124,1.2921,-208.9296,6,8
S2_00125,1.0454,-208.9187,8,10
S2_00126,1.3141,-208.8697,8,10
S2_00127,1.3141,-208.8483,8,9
S2_00128,1.2946,-208.5954,8,0
S2_00129,1.2448,-208.2696,6,0
S2_00130,1.1321,-208.2362,10,1
S2_00131,1.356,-208.1525,6,4
S2_00132,1.2434,-208.0441,6,12
S2_00133,1.2261,-208.036,6,11
S2_00134,0.9034,-207.8169,8,6
S2_00135,1.1866,-207.5501,8,14
S2_00136,1.3007,-207.4045,8,12
S2_00137,1.2486,-207.3984,6,9
S2_00138,1.2749,-207.3204,6,6
S2_00139,1.2008,-207.3017,6,5
S2_00140,1.321,-207.2064,8,4
S2_00141,1.3194,-207.1716,8,3
S2_00142,1.1934,-207.1281,6,11
S2_00143,1.2512,-207.0822,8,6
S2_00144,1.184,-207.0429,12,0
S2_00145,1.1267,-206.9405,10,5
S2_00146,1.2292,-206.9109,12,11
S2_00147,1.2268,-206.8137,6,11
S2_00148,1.3658,-206.788,6,13
S2_00149,1.3559,-206.7854,8,12
S2_00150,1.2702,-206.7528,8,10
S2_00151,1.2505,-206.7329,10,4
S2_00152,1.1975,-206.664,8,9
S2_00153,1.1388,-206.6521,10,6
S2_00154,1.196,-206.5206,8,7
S2_00155,1.2121,-206.4953,8,0
S2_00156,1.2431,-206.413,6,1
S2_00157,1.156,-206.389,8,6
S2_00158,1.2464,-206.2939,6,9
S2_00159,1.1706,-206.2822,6,8
S2_00160,1.2741,-206.2661,6,12
S2_00161,1.3397,-206.0533,8,2
S2_00162,0.984,-205.824,8,9
S2_00163,1.0926,-205.7901,8,10
S2_00164,1.1321,-205.7454,8,4
S2_00165,1.0763,-205.7317,8,3
S2_00166,1.1304,-205.6808,6,7
S2_00167,1.3067,-205.6047,6,8
S2_00168,1.1637,-205.5877,6,3
S2_00169,1.151,-205.562,10,1
S2_00170,1.1669,-205.3744,8,7
S2_00171,1.0859,-205.2835,8,6
S2_00172,0.9633,-205.1859,8,8
S2_00173,1.0663,-205.0083,8,3
S2_00174,1.2298,-204.9358,4,12
S2_00175,1.2376,-204.8618,10,8
S2_00176,1.0496,-204.6382,8,13
S2_00177,1.4395,-204.5721,8,8
S2_00178,1.2513,-204.4086,6,0
S2_00179,1.2212,-204.4013,6,4
S2_00180,1.4054,-204.3718,8,9
S2_00181,1.2543,-204.2891,8,7
S2_00182,1.2444,-204.1946,6,9
S2_00183,1.3756,-204.1352,10,4
S2_00184,1.0966,-204.0159,8,4
S2_00185,1.2544,-203.7935,8,8
S2_00186,0.8621,-203.7872,12,0
S2_00187,1.4334,-203.7833,6,14
S2_00188,1.2773,-203.6262,6,0
S2_00189,1.2147,-203.5995,8,9
S2_00190,1.0911,-203.4575,8,4
S2_00191,1.1625,-203.2969,8,6
S2_00192,1.1161,-203.2527,8,6
S2_00193,1.1975,-203.2092,10,0
S2_00194,1.1876,-203.1179,6,4
S2_00195,1.2036,-202.6712,6,0
S2_00196,1.0423,-202.5541,8,0
S2_00197,1.1231,-202.454,8,2
S2_00198,0.8891,-202.4307,8,4
S2_00199,1.2362,-202.4017,6,3
S2_00200,1.3568,-202.3743,8,12
S2_00201,1.303,-202.3241,8,10
S2_00202,1.2776,-202.3182,6,4
S2_00203,1.3008,-202.2637,6,10
S2_00204,0.952,-202.223,8,4
S2_00205,1.349,-202.2076,8,18
S2_00206,1.3661,-202.1813,6,6
S2_00207,1.1564,-202.1125,10,5
S2_00208,1.3469,-202.0283,4,7
S2_00209,1.214,-201.9398,8,0
S2_00210,1.021,-201.8549,10,0
S2_00211,0.9076,-201.6035,8,10
S2_00212,1.1735,-201.5759,6,13
S2_00213,1.1285,-201.3666,8,4
S2_00214,1.1295,-201.3156,8,6
S2_00215,1.1254,-201.2966,6,4
S2_00216,1.3523,-201.2826,6,13
S2_00217,1.3049,-201.0399,6,9
S2_00218,1.3323,-201.0332,8,6
S2_00219,1.2518,-200.871,4,10
S2_00220,1.1824,-200.8605,6,6
S2_00221,0.8836,-200.5961,10,4
S2_00222,1.3384,-200.5939,6,6
S2_00223,1.3295,-200.5859,4,3
S2_00224,1.0702,-200.5399,10,4
S2_00225,1.2722,-200.5319,6,18
S2_00226,1.1186,-200.524,10,3
S2_00227,1.1698,-200.3747,10,2
S2_00228,1.0043,-200.3697,8,5
S2_00229,1.2967,-200.3626,6,4
S2_00230,1.1844,-200.3611,8,6
S2_00231,0.8209,-200.3242,8,10
S2_00232,1.3884,-200.2994,10,2
S2_00233,1.1241,-200.2562,8,4
S2_00234,0.8698,-200.2012,8,5
S2_00235,1.1029,-200.1797,10,0
S2_00236,1.1937,-200.153,8,4
S2_00237,1.3365,-200.1506,12,0
S2_00238,1.0819,-200.0699,8,0
S2_00239,1.3515,-199.9439,8,15
S2_00240,1.3839,-199.9037,6,8
S2_00241,1.2488,-199.8934,6,5
S2_00242,0.749,-199.871,8,6
S2_00243,1.1915,-199.8456,6,13
S2_00244,1.1158,-199.8371,8,4
S2_00245,1.3163,-199.8132,4,10
S2_00246,1.2104,-199.7615,6,6
S2_00247,1.0539,-199.7525,6,5
S2_00248,1.3502,-199.6911,8,22
S2_00249,1.2863,-199.6828,8,0
S2_00250,1.0994,-199.6694,8,4
S2_00251,1.2815,-199.5755,4,4
S2_00252,0.9916,-199.5567,10,0
S2_00253,1.212,-199.5252,8,7
S2_00254,1.2838,-199.4977,8,4
S2_00255,0.8401,-199.2492,12,0
S2_00256,1.1872,-199.2378,6,6
S2_00257,1.3128,-199.2062,6,0
S2_00258,1.3162,-199.0819,8,9
S2_00259,1.2443,-199.0774,10,0
S2_00260,0.7492,-198.9504,8,6
S2_00261,1.2588,-198.8894,4,8
S2_00262,1.2207,-198.771,8,6
S2_00263,1.2177,-198.7289,6,6
S2_00264,0.9816,-198.6803,10,2
S2_00265,1.1728,-198.5754,8,8
S2_00266,1.2712,-198.5126,6,10
S2_00267,1.3215,-198.4943,8,18
S2_00268,1.2026,-198.4608,8,8
S2_00269,1.1277,-198.3698,6,9
S2_00270,1.2642,-198.3566,8,6
S2_00271,1.3803,-198.2783,6,8
S2_00272,1.1551,-198.2149,8,6
S2_00273,1.2358,-198.182,6,6
S2_00274,1.2028,-198.1283,8,11
S2_00275,1.1,-198.0831,8,4
S2_00276,1.1575,-198.0804,6,9
S2_00277,1.2425,-198.0628,6,0
S2_00278,1.1161,-198.0318,8,10
S2_00279,1.1935,-197.98,6,8
S2_00280,1.218,-197.9146,6,0
S2_00281,1.4201,-197.855,8,16
S2_00282,1.1735,-197.8253,8,10
S2_00283,0.9941,-197.8078,8,4
S2_00284,0.7431,-197.6601,10,4
S2_00285,1.1214,-197.6416,8,4
S2_00286,1.329,-197.5519,8,0
S2_00287,1.1572,-197.5068,6,9
S2_00288,0.9519,-197.4777,10,0
S2_00289,1.1177,-197.4353,6,3
S2_00290,1.0956,-197.3638,8,0
S2_00291,1.3133,-197.3256,6,12
S2_00292,1.2027,-197.2487,8,1
S2_00293,1.0845,-197.215,8,4
S2_00294,1.2492,-197.2093,6,13
S2_00295,1.3131,-197.1722,8,8
S2_00296,1.0473,-197.1684,8,0
S2_00297,1.0122,-197.1576,8,8
S2_00298,1.1637,-197.1222,10,8
S2_00299,1.2906,-197.0705,8,6
S2_00300,1.0635,-197.0531,8,4
S2_00301,1.1424,-196.8884,8,8
S2_00302,1.3274,-196.8207,4,12
S2_00303,1.3431,-196.8072,6,7
S2_00304,1.2574,-196.8019,8,8
S2_00305,0.9436,-196.7734,10,0
S2_00306,1.26,-196.7566,6,11
S2_00307,1.1502,-196.6768,6,8
S2_00308,1.1624,-196.5638,8,0
S2_00309,1.2107,-196.4968,8,4
S2_00310,1.0863,-196.4965,8,0
S2_00311,1.2083,-196.4389,4,5
S2_00312,1.0233,-196.4144,10,0
S2_00313,1.206,-196.3973,6,8
S2_00314,1.2676,-196.3751,6,3
S2_00315,1.0496,-196.3431,6,10
S2_00316,1.2535,-196.3208,4,12
S2_00317,1.1158,-196.3093,8,9
S2_00318,1.1877,-196.3093,4,6
S2_00319,1.0927,-196.2915,8,6
S2_00320,1.2529,-196.2701,6,4
S2_00321,0.942,-196.1678,8,8
S2_00322,1.3102,-196.1456,6,11
S2_00323,1.1902,-196.1331,8,0
S2_00324,1.2154,-196.126,8,10
S2_00325,1.2808,-196.0687,6,6
S2_00326,1.0301,-196.0177,8,0
S2_00327,0.9729,-195.9879,8,0
S2_00328,1.1699,-195.9865,6,0
S2_00329,1.3927,-195.984,6,7
S2_00330,1.1602,-195.8412,6,0
S2_00331,1.1519,-195.7937,6,7
S2_00332,1.2931,-195.6225,4,7
S2_00333,1.1558,-195.621,6,8
S2_00334,1.0007,-195.6098,8,0
S2_00335,1.1968,-195.5986,6,0
S2_00336,1.2457,-195.5592,6,8
S2_00337,1.059,-195.5588,8,0
S2_00338,1.1638,-195.4716,8,4
S2_00339,1.1843,-195.3922,8,3
S2_00340,1.246,-195.3889,8,10
S2_00341,1.297,-195.2774,8,11
S2_00342,0.8688,-195.2115,8,6
S2_00343,1.2556,-195.1525,6,4
S2_00344,0.9291,-195.0636,6,9
S2_00345,0.9893,-195.0371,8,0
S2_00346,1.0722,-194.9986,8,10
S2_00347,0.8221,-194.9933,8,7
S2_00348,1.3398,-194.9193,6,4
S2_00349,1.0782,-194.911,8,2
S2_00350,1.2591,-194.8555,8,4
S2_00351,1.3258,-194.8333,8,12
S2_00352,1.315,-194.785,10,8
S2_00353,1.2246,-194.7407,8,8
S2_00354,1.3793,-194.7197,6,15
S2_00355,1.0676,-194.524,6,10
S2_00356,1.2566,-194.4922,4,12
S2_00357,1.1882,-194.4551,10,9
S2_00358,0.9719,-194.4501,10,1
S2_00359,1.2299,-194.4394,6,5
S2_00360,1.168,-194.4275,8,6
S2_00361,1.2946,-194.4088,8,16
S2_00362,1.4258,-194.406,6,14
S2_00363,0.7564,-194.339,8,4
S2_00364,1.1435,-194.3191,8,9
S2_00365,1.2639,-194.3067,8,7
S2_00366,1.0349,-194.2624,6,10
S2_00367,0.7381,-194.2552,8,4
S2_00368,1.1789,-194.2261,8,10
S2_00369,1.1453,-194.2191,6,0
S2_00370,0.9666,-194.1837,8,4
S2_00371,1.3287,-194.1817,4,8
S2_00372,1.2277,-194.1683,6,4
S2_00373,1.0165,-194.1274,8,3
S2_00374,1.3029,-194.1173,6,9
S2_00375,1.2052,-194.109,6,0
S2_00376,1.0161,-194.0857,8,0
S2_00377,1.2759,-194.0589,8,3
S2_00378,1.2814,-193.9983,8,6
S2_00379,1.0886,-193.8989,6,9
S2_00380,1.2422,-193.8567,6,6
S2_00381,1.0188,-193.8185,8,3
S2_00382,1.2016,-193.8153,6,0
S2_00383,0.6687,-193.8124,8,4
S2_00384,0.9609,-193.7859,10,2
S2_00385,1.2491,-193.7803,4,14
S2_00386,0.929,-193.7617,10,4
S2_00387,1.2175,-193.7371,8,0
S2_00388,1.2403,-193.7316,10,3
S2_00389,1.008,-193.6691,10,0
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