@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1293264

@attribute molecule_id {CHEMBL114544,CHEMBL1200596,CHEMBL1201149,CHEMBL1212972,CHEMBL125044,CHEMBL1256686,CHEMBL1287980,CHEMBL1299184,CHEMBL1299266,CHEMBL1299526,CHEMBL1299557,CHEMBL1300035,CHEMBL1300269,CHEMBL1300729,CHEMBL1301601,CHEMBL1301723,CHEMBL1301939,CHEMBL1302178,CHEMBL1302391,CHEMBL1302600,CHEMBL1303028,CHEMBL1303334,CHEMBL1303373,CHEMBL1303426,CHEMBL1303508,CHEMBL1303552,CHEMBL1304363,CHEMBL1304857,CHEMBL1305767,CHEMBL1306605,CHEMBL1306723,CHEMBL1306900,CHEMBL1307050,CHEMBL1307307,CHEMBL1307570,CHEMBL1307632,CHEMBL1309127,CHEMBL1309171,CHEMBL1309432,CHEMBL1309573,CHEMBL1309677,CHEMBL1309803,CHEMBL1309871,CHEMBL1309890,CHEMBL131037,CHEMBL1310449,CHEMBL1310734,CHEMBL1310782,CHEMBL1310804,CHEMBL1311252,CHEMBL1311826,CHEMBL1311831,CHEMBL1311879,CHEMBL1311965,CHEMBL1312308,CHEMBL1312367,CHEMBL1312377,CHEMBL1312523,CHEMBL1312651,CHEMBL1312968,CHEMBL1312969,CHEMBL1313397,CHEMBL1313592,CHEMBL1313897,CHEMBL1318103,CHEMBL1318350,CHEMBL1318358,CHEMBL1318526,CHEMBL1318653,CHEMBL1319867,CHEMBL1320678,CHEMBL1321614,CHEMBL1321754,CHEMBL1321817,CHEMBL1322052,CHEMBL1322344,CHEMBL1323177,CHEMBL1323463,CHEMBL1323504,CHEMBL1323553,CHEMBL1323821,CHEMBL1323953,CHEMBL1324005,CHEMBL1324011,CHEMBL1324082,CHEMBL1324103,CHEMBL1324251,CHEMBL1326301,CHEMBL1326873,CHEMBL1327546,CHEMBL1327721,CHEMBL1327815,CHEMBL1327921,CHEMBL1328071,CHEMBL1328168,CHEMBL1328306,CHEMBL1329663,CHEMBL1330380,CHEMBL1330429,CHEMBL1330558,CHEMBL1331585,CHEMBL1331656,CHEMBL1332111,CHEMBL1332181,CHEMBL1332454,CHEMBL1332717,CHEMBL1333128,CHEMBL1333730,CHEMBL1333737,CHEMBL1334040,CHEMBL1334719,CHEMBL1334809,CHEMBL1335002,CHEMBL1335315,CHEMBL1336386,CHEMBL1336535,CHEMBL1337184,CHEMBL1337227,CHEMBL1337942,CHEMBL1338100,CHEMBL1338165,CHEMBL1338167,CHEMBL1338304,CHEMBL1338660,CHEMBL1339359,CHEMBL1339895,CHEMBL1340150,CHEMBL1340588,CHEMBL1340770,CHEMBL1341008,CHEMBL1341190,CHEMBL1341609,CHEMBL1341726,CHEMBL1342025,CHEMBL1342053,CHEMBL1342221,CHEMBL1342293,CHEMBL1342423,CHEMBL1342526,CHEMBL1342574,CHEMBL1342907,CHEMBL1343042,CHEMBL1343337,CHEMBL1343689,CHEMBL1343705,CHEMBL1344225,CHEMBL1344542,CHEMBL1344603,CHEMBL1344659,CHEMBL1344824,CHEMBL1345564,CHEMBL1345883,CHEMBL1345981,CHEMBL1346409,CHEMBL1346478,CHEMBL1346587,CHEMBL1346661,CHEMBL1346959,CHEMBL1347023,CHEMBL1347212,CHEMBL1347643,CHEMBL1347921,CHEMBL1348131,CHEMBL1348215,CHEMBL1348954,CHEMBL1350111,CHEMBL1350432,CHEMBL1350780,CHEMBL1351467,CHEMBL1351473,CHEMBL1352375,CHEMBL1352515,CHEMBL1352714,CHEMBL1353124,CHEMBL1354210,CHEMBL1356726,CHEMBL1358014,CHEMBL1358711,CHEMBL1358924,CHEMBL1359359,CHEMBL1359415,CHEMBL1359766,CHEMBL1359902,CHEMBL1359949,CHEMBL1360149,CHEMBL1360337,CHEMBL1361034,CHEMBL1361256,CHEMBL1361740,CHEMBL1361913,CHEMBL1363242,CHEMBL1363376,CHEMBL1366012,CHEMBL1366522,CHEMBL1366735,CHEMBL1366959,CHEMBL1366976,CHEMBL1367827,CHEMBL1367952,CHEMBL1368060,CHEMBL1368499,CHEMBL1368523,CHEMBL1369123,CHEMBL1369513,CHEMBL1369641,CHEMBL1370183,CHEMBL1370701,CHEMBL1370719,CHEMBL1371002,CHEMBL1371256,CHEMBL1371329,CHEMBL1371649,CHEMBL1372213,CHEMBL1372698,CHEMBL1372778,CHEMBL1373031,CHEMBL1373553,CHEMBL1374155,CHEMBL1374750,CHEMBL1374840,CHEMBL1375133,CHEMBL1375248,CHEMBL1375373,CHEMBL1375775,CHEMBL1376534,CHEMBL1376598,CHEMBL1377278,CHEMBL1377329,CHEMBL1377408,CHEMBL1377737,CHEMBL1377849,CHEMBL1377901,CHEMBL1377916,CHEMBL1378450,CHEMBL1378628,CHEMBL1378818,CHEMBL1379055,CHEMBL1379500,CHEMBL1379507,CHEMBL1379573,CHEMBL1379713,CHEMBL1380035,CHEMBL1380256,CHEMBL1380425,CHEMBL1380678,CHEMBL1380801,CHEMBL1381150,CHEMBL1381621,CHEMBL1381837,CHEMBL1382003,CHEMBL1382317,CHEMBL1382320,CHEMBL1382438,CHEMBL1382939,CHEMBL1383320,CHEMBL1383376,CHEMBL1383436,CHEMBL1383537,CHEMBL1383926,CHEMBL1384215,CHEMBL1384246,CHEMBL1384372,CHEMBL1384529,CHEMBL1384550,CHEMBL1384555,CHEMBL1384726,CHEMBL1384961,CHEMBL1385585,CHEMBL1385690,CHEMBL1386393,CHEMBL1386972,CHEMBL1387060,CHEMBL1387210,CHEMBL1387248,CHEMBL1387520,CHEMBL1387554,CHEMBL1387605,CHEMBL1388330,CHEMBL1388704,CHEMBL1389006,CHEMBL1389050,CHEMBL1389642,CHEMBL1390055,CHEMBL1390086,CHEMBL1390716,CHEMBL1391094,CHEMBL1391188,CHEMBL1391324,CHEMBL1391605,CHEMBL1391621,CHEMBL1391668,CHEMBL1391919,CHEMBL1392429,CHEMBL1394750,CHEMBL1394796,CHEMBL1396331,CHEMBL1396432,CHEMBL1396872,CHEMBL1397445,CHEMBL1397830,CHEMBL1398171,CHEMBL1398286,CHEMBL1399754,CHEMBL1400298,CHEMBL1400481,CHEMBL1401122,CHEMBL1401467,CHEMBL1402203,CHEMBL1402279,CHEMBL1402558,CHEMBL1403081,CHEMBL1403869,CHEMBL140425,CHEMBL1404301,CHEMBL1404578,CHEMBL1405094,CHEMBL1405610,CHEMBL1405657,CHEMBL1405676,CHEMBL1405884,CHEMBL1405968,CHEMBL1406051,CHEMBL1406060,CHEMBL1406262,CHEMBL1406780,CHEMBL1406895,CHEMBL1407100,CHEMBL1407961,CHEMBL1408512,CHEMBL1409219,CHEMBL1409386,CHEMBL1410220,CHEMBL1410616,CHEMBL1411597,CHEMBL1411649,CHEMBL1411665,CHEMBL1412087,CHEMBL1412176,CHEMBL1412385,CHEMBL1413011,CHEMBL1413680,CHEMBL1414376,CHEMBL1416089,CHEMBL1416155,CHEMBL1416184,CHEMBL1416497,CHEMBL1416844,CHEMBL1417204,CHEMBL1418634,CHEMBL1419495,CHEMBL1419683,CHEMBL1420064,CHEMBL1420325,CHEMBL1420893,CHEMBL1421427,CHEMBL1421589,CHEMBL1421770,CHEMBL1422078,CHEMBL1422976,CHEMBL1423567,CHEMBL1423597,CHEMBL1423668,CHEMBL1423678,CHEMBL1424264,CHEMBL1424361,CHEMBL1424402,CHEMBL1424479,CHEMBL1424582,CHEMBL1426237,CHEMBL1426411,CHEMBL1426562,CHEMBL1426612,CHEMBL1426758,CHEMBL1426792,CHEMBL1427185,CHEMBL1427235,CHEMBL1427431,CHEMBL1428090,CHEMBL1428121,CHEMBL1428258,CHEMBL1428382,CHEMBL1428935,CHEMBL1428950,CHEMBL1428985,CHEMBL1429468,CHEMBL1430172,CHEMBL1430235,CHEMBL1430795,CHEMBL1430930,CHEMBL1430955,CHEMBL1431014,CHEMBL1431325,CHEMBL1431608,CHEMBL1431909,CHEMBL1432227,CHEMBL1432480,CHEMBL1432521,CHEMBL1433128,CHEMBL1433793,CHEMBL1434292,CHEMBL1435343,CHEMBL1436264,CHEMBL1437683,CHEMBL1437887,CHEMBL1438570,CHEMBL1438779,CHEMBL1439246,CHEMBL1439263,CHEMBL1439590,CHEMBL1441294,CHEMBL1441558,CHEMBL1441794,CHEMBL1441996,CHEMBL1442120,CHEMBL1442698,CHEMBL1442884,CHEMBL1443205,CHEMBL1443417,CHEMBL1443778,CHEMBL1444041,CHEMBL1444275,CHEMBL1444877,CHEMBL1445491,CHEMBL1445650,CHEMBL1445842,CHEMBL1446600,CHEMBL1446929,CHEMBL1446969,CHEMBL1446971,CHEMBL1447124,CHEMBL1447284,CHEMBL1447350,CHEMBL1447697,CHEMBL1447703,CHEMBL1448148,CHEMBL1448161,CHEMBL1448582,CHEMBL1448982,CHEMBL1449035,CHEMBL1449757,CHEMBL1450616,CHEMBL1450706,CHEMBL1451169,CHEMBL1452116,CHEMBL1453309,CHEMBL1453857,CHEMBL1454171,CHEMBL1454235,CHEMBL1454369,CHEMBL1454534,CHEMBL1454837,CHEMBL1455045,CHEMBL1455427,CHEMBL1455766,CHEMBL1455967,CHEMBL1456130,CHEMBL1456232,CHEMBL1456428,CHEMBL1456525,CHEMBL1456727,CHEMBL1457040,CHEMBL1457414,CHEMBL1457787,CHEMBL1457952,CHEMBL1458147,CHEMBL1458833,CHEMBL1458840,CHEMBL1460084,CHEMBL1460585,CHEMBL1460705,CHEMBL1461119,CHEMBL1461196,CHEMBL1461585,CHEMBL1461661,CHEMBL1461745,CHEMBL1461933,CHEMBL1462003,CHEMBL1462517,CHEMBL1462873,CHEMBL1463088,CHEMBL1463168,CHEMBL1463571,CHEMBL1463647,CHEMBL1463829,CHEMBL1463949,CHEMBL1463974,CHEMBL1464024,CHEMBL1464745,CHEMBL1464749,CHEMBL1464853,CHEMBL1464917,CHEMBL1465101,CHEMBL1465592,CHEMBL1465861,CHEMBL1466354,CHEMBL1466556,CHEMBL1467556,CHEMBL1467752,CHEMBL1467838,CHEMBL1467867,CHEMBL1468767,CHEMBL1469161,CHEMBL1469318,CHEMBL1469448,CHEMBL1469580,CHEMBL1469682,CHEMBL1470925,CHEMBL1471101,CHEMBL1471189,CHEMBL1471386,CHEMBL1472570,CHEMBL1473267,CHEMBL1474191,CHEMBL1475380,CHEMBL1475863,CHEMBL1476264,CHEMBL1476643,CHEMBL1477073,CHEMBL1477197,CHEMBL1477291,CHEMBL1477528,CHEMBL1477553,CHEMBL1477640,CHEMBL1477697,CHEMBL1478950,CHEMBL1479477,CHEMBL1480264,CHEMBL1480374,CHEMBL1480872,CHEMBL1481281,CHEMBL1481383,CHEMBL1482497,CHEMBL1483161,CHEMBL1483287,CHEMBL1483661,CHEMBL1484163,CHEMBL1484341,CHEMBL1484710,CHEMBL1485010,CHEMBL1485019,CHEMBL1485277,CHEMBL1485503,CHEMBL1485605,CHEMBL1485784,CHEMBL1485865,CHEMBL1486214,CHEMBL1486528,CHEMBL1487183,CHEMBL1487205,CHEMBL1487635,CHEMBL1487940,CHEMBL1487991,CHEMBL1488024,CHEMBL1488308,CHEMBL1488573,CHEMBL1488802,CHEMBL1489488,CHEMBL1490134,CHEMBL1490336,CHEMBL1490887,CHEMBL1491015,CHEMBL1491623,CHEMBL1491626,CHEMBL1491719,CHEMBL1491847,CHEMBL1491932,CHEMBL1492017,CHEMBL1492089,CHEMBL1493465,CHEMBL1493936,CHEMBL1494120,CHEMBL1494902,CHEMBL1495222,CHEMBL1495367,CHEMBL1495714,CHEMBL1495849,CHEMBL1495920,CHEMBL1496231,CHEMBL1496517,CHEMBL1497049,CHEMBL1497139,CHEMBL1497259,CHEMBL1497290,CHEMBL1497771,CHEMBL1498428,CHEMBL1498886,CHEMBL1499072,CHEMBL1500256,CHEMBL1500405,CHEMBL1500450,CHEMBL1500793,CHEMBL1501792,CHEMBL1502747,CHEMBL1503286,CHEMBL1504077,CHEMBL1504142,CHEMBL1504403,CHEMBL1504429,CHEMBL1504620,CHEMBL1504875,CHEMBL1505139,CHEMBL1505508,CHEMBL1505604,CHEMBL1505893,CHEMBL1506096,CHEMBL1506256,CHEMBL1506728,CHEMBL1508121,CHEMBL1508797,CHEMBL1509162,CHEMBL1509216,CHEMBL1509254,CHEMBL1509694,CHEMBL1510156,CHEMBL1510664,CHEMBL1510905,CHEMBL1510964,CHEMBL1511616,CHEMBL1512236,CHEMBL1514691,CHEMBL1514866,CHEMBL1516139,CHEMBL1516303,CHEMBL1516503,CHEMBL1516786,CHEMBL1517470,CHEMBL1518367,CHEMBL1518445,CHEMBL1518619,CHEMBL1518799,CHEMBL1519374,CHEMBL1519958,CHEMBL1520214,CHEMBL1520643,CHEMBL1520753,CHEMBL1521054,CHEMBL1521291,CHEMBL1521405,CHEMBL1521897,CHEMBL1522007,CHEMBL1522033,CHEMBL1522211,CHEMBL1522230,CHEMBL1522818,CHEMBL1522838,CHEMBL1522846,CHEMBL1522851,CHEMBL1522992,CHEMBL1523699,CHEMBL1524088,CHEMBL1524515,CHEMBL1524916,CHEMBL1524932,CHEMBL1525088,CHEMBL1525546,CHEMBL1525764,CHEMBL1526062,CHEMBL1526732,CHEMBL1527010,CHEMBL1527013,CHEMBL1527565,CHEMBL1528033,CHEMBL1528367,CHEMBL1528425,CHEMBL1528430,CHEMBL1528883,CHEMBL1529115,CHEMBL1529511,CHEMBL1529705,CHEMBL1529805,CHEMBL1530173,CHEMBL1530670,CHEMBL1530839,CHEMBL1530899,CHEMBL1531308,CHEMBL1531676,CHEMBL1532089,CHEMBL1532242,CHEMBL1532783,CHEMBL1532941,CHEMBL1533772,CHEMBL1534477,CHEMBL1534949,CHEMBL1535150,CHEMBL1535168,CHEMBL1535169,CHEMBL1536114,CHEMBL1536932,CHEMBL1537034,CHEMBL1537342,CHEMBL1537515,CHEMBL1537991,CHEMBL1538399,CHEMBL1538746,CHEMBL1539016,CHEMBL1539107,CHEMBL1539624,CHEMBL1540185,CHEMBL1540808,CHEMBL1541594,CHEMBL1542074,CHEMBL1542492,CHEMBL1542886,CHEMBL1542947,CHEMBL1543154,CHEMBL1543371,CHEMBL1543465,CHEMBL1543866,CHEMBL1543954,CHEMBL1544135,CHEMBL1544221,CHEMBL1544373,CHEMBL1545369,CHEMBL1545561,CHEMBL1545697,CHEMBL1545741,CHEMBL1546440,CHEMBL1546607,CHEMBL1546739,CHEMBL1547181,CHEMBL1547736,CHEMBL1548173,CHEMBL1548252,CHEMBL1548770,CHEMBL1549272,CHEMBL1549587,CHEMBL1550301,CHEMBL1550499,CHEMBL1550586,CHEMBL1552018,CHEMBL1552207,CHEMBL1553074,CHEMBL1553565,CHEMBL1554920,CHEMBL1555566,CHEMBL1555793,CHEMBL1556712,CHEMBL1557615,CHEMBL1557648,CHEMBL1557734,CHEMBL1557816,CHEMBL1558084,CHEMBL1558203,CHEMBL1558462,CHEMBL1558590,CHEMBL1558844,CHEMBL1558970,CHEMBL1559926,CHEMBL1560839,CHEMBL1561,CHEMBL1561066,CHEMBL1561133,CHEMBL1561507,CHEMBL1561907,CHEMBL1562926,CHEMBL1562939,CHEMBL1563257,CHEMBL1563294,CHEMBL1563335,CHEMBL1563483,CHEMBL1564316,CHEMBL1565035,CHEMBL1565051,CHEMBL1565536,CHEMBL1565646,CHEMBL1566084,CHEMBL1566610,CHEMBL1566974,CHEMBL1567159,CHEMBL1567294,CHEMBL1567384,CHEMBL1567573,CHEMBL1567702,CHEMBL1567827,CHEMBL1567899,CHEMBL1568009,CHEMBL1568277,CHEMBL1568544,CHEMBL1568922,CHEMBL1569107,CHEMBL1570587,CHEMBL1570834,CHEMBL1570845,CHEMBL1570871,CHEMBL1570958,CHEMBL1571835,CHEMBL1572001,CHEMBL1572107,CHEMBL1572356,CHEMBL1572624,CHEMBL1572863,CHEMBL1574132,CHEMBL1574553,CHEMBL1574879,CHEMBL1575784,CHEMBL1575952,CHEMBL1576005,CHEMBL1576301,CHEMBL1576461,CHEMBL1576803,CHEMBL1576899,CHEMBL1577064,CHEMBL1577988,CHEMBL1578324,CHEMBL1578383,CHEMBL1578482,CHEMBL1578544,CHEMBL1578607,CHEMBL1578651,CHEMBL1578670,CHEMBL1579152,CHEMBL1579340,CHEMBL1580311,CHEMBL1580410,CHEMBL1580684,CHEMBL1580694,CHEMBL1580938,CHEMBL1580946,CHEMBL1581193,CHEMBL1582121,CHEMBL1582697,CHEMBL1583665,CHEMBL1583998,CHEMBL1584323,CHEMBL1584395,CHEMBL1584752,CHEMBL1585304,CHEMBL1585390,CHEMBL1585527,CHEMBL1585777,CHEMBL1585944,CHEMBL1586425,CHEMBL1586491,CHEMBL1587375,CHEMBL1587672,CHEMBL1587764,CHEMBL1587831,CHEMBL1588194,CHEMBL1588411,CHEMBL1588973,CHEMBL1589540,CHEMBL1589900,CHEMBL1592181,CHEMBL1592294,CHEMBL1593888,CHEMBL1594497,CHEMBL1594894,CHEMBL1595015,CHEMBL1595121,CHEMBL1596609,CHEMBL1596775,CHEMBL1596804,CHEMBL1597123,CHEMBL1597454,CHEMBL1597563,CHEMBL1597627,CHEMBL1597655,CHEMBL1598011,CHEMBL1598299,CHEMBL1598569,CHEMBL1599388,CHEMBL1599495,CHEMBL1599499,CHEMBL1599708,CHEMBL1600096,CHEMBL1600326,CHEMBL1600396,CHEMBL1601013,CHEMBL1601762,CHEMBL1602056,CHEMBL1602250,CHEMBL1602482,CHEMBL1602759,CHEMBL1603072,CHEMBL1603353,CHEMBL1603871,CHEMBL1604367,CHEMBL1604425,CHEMBL1604546,CHEMBL1604741,CHEMBL1604859,CHEMBL1605583,CHEMBL1605686,CHEMBL1605977,CHEMBL1606173,CHEMBL1606916,CHEMBL1607475,CHEMBL1607864,CHEMBL1608078,CHEMBL1608392,CHEMBL1608776,CHEMBL1608922,CHEMBL1609011,CHEMBL1609419,CHEMBL1609630,CHEMBL1609718,CHEMBL1610008,CHEMBL1610025,CHEMBL1610625,CHEMBL1611135,CHEMBL1611989,CHEMBL1612230,CHEMBL161229,CHEMBL1613131,CHEMBL1613186,CHEMBL1613515,CHEMBL1613520,CHEMBL161686,CHEMBL162077,CHEMBL1698464,CHEMBL1698492,CHEMBL1699244,CHEMBL1700182,CHEMBL1700323,CHEMBL1700590,CHEMBL1700786,CHEMBL1701033,CHEMBL1701884,CHEMBL1702042,CHEMBL1702144,CHEMBL1702431,CHEMBL1702614,CHEMBL1703007,CHEMBL1703076,CHEMBL1703925,CHEMBL1704801,CHEMBL1705093,CHEMBL1706492,CHEMBL1706704,CHEMBL1707040,CHEMBL1708006,CHEMBL1708074,CHEMBL1710429,CHEMBL1710708,CHEMBL1712082,CHEMBL1713087,CHEMBL1713323,CHEMBL1713376,CHEMBL1714002,CHEMBL1715400,CHEMBL1716008,CHEMBL1716038,CHEMBL1716889,CHEMBL1716932,CHEMBL1717415,CHEMBL1717529,CHEMBL1717545,CHEMBL1717890,CHEMBL1718,CHEMBL1718625,CHEMBL1720855,CHEMBL1721159,CHEMBL1721573,CHEMBL1722417,CHEMBL1722738,CHEMBL1722821,CHEMBL1723955,CHEMBL1724522,CHEMBL1724933,CHEMBL1724949,CHEMBL1725379,CHEMBL1726134,CHEMBL1727268,CHEMBL1728042,CHEMBL1728065,CHEMBL1728123,CHEMBL1729008,CHEMBL1729300,CHEMBL1730238,CHEMBL1730870,CHEMBL1731619,CHEMBL1732391,CHEMBL1733564,CHEMBL1733584,CHEMBL1733858,CHEMBL1734152,CHEMBL1734467,CHEMBL1735062,CHEMBL1735318,CHEMBL1736709,CHEMBL1866630,CHEMBL1869630,CHEMBL1872868,CHEMBL1873621,CHEMBL1873971,CHEMBL1874169,CHEMBL1874393,CHEMBL1875381,CHEMBL1876643,CHEMBL1876750,CHEMBL1878561,CHEMBL1883593,CHEMBL1885508,CHEMBL1896036,CHEMBL1905005,CHEMBL1964407,CHEMBL1964464,CHEMBL1964873,CHEMBL1965132,CHEMBL1965403,CHEMBL1965860,CHEMBL1966283,CHEMBL1967155,CHEMBL1967770,CHEMBL1968402,CHEMBL1968732,CHEMBL1969046,CHEMBL1972216,CHEMBL1973773,CHEMBL1974230,CHEMBL1975257,CHEMBL1975294,CHEMBL1976308,CHEMBL1976317,CHEMBL1977763,CHEMBL1978355,CHEMBL1978993,CHEMBL1979800,CHEMBL1979954,CHEMBL1981898,CHEMBL1981951,CHEMBL1982845,CHEMBL1983418,CHEMBL1984138,CHEMBL1984876,CHEMBL1987579,CHEMBL1987894,CHEMBL1988579,CHEMBL1990174,CHEMBL1991431,CHEMBL1993788,CHEMBL1996730,CHEMBL1997098,CHEMBL1997450,CHEMBL1997928,CHEMBL1998521,CHEMBL1999049,CHEMBL2000517,CHEMBL2001922,CHEMBL2004847,CHEMBL2005961,CHEMBL2114148,CHEMBL212504,CHEMBL2131914,CHEMBL2132071,CHEMBL2137358,CHEMBL2138050,CHEMBL225164,CHEMBL2357841,CHEMBL2358009,CHEMBL2359091,CHEMBL2361041,CHEMBL2362112,CHEMBL2362691,CHEMBL242163,CHEMBL254857,CHEMBL256042,CHEMBL257286,CHEMBL261693,CHEMBL270605,CHEMBL309474,CHEMBL338474,CHEMBL344637,CHEMBL346520,CHEMBL346964,CHEMBL350524,CHEMBL355496,CHEMBL363491,CHEMBL364893,CHEMBL387762,CHEMBL393287,CHEMBL421088,CHEMBL42288,CHEMBL428064,CHEMBL486196,CHEMBL488140,CHEMBL497,CHEMBL528694,CHEMBL534353,CHEMBL546170,CHEMBL571380,CHEMBL586135,CHEMBL591834,CHEMBL592124,CHEMBL964,CHEMBL982}
@attribute C.006 numeric
@attribute NsssN numeric
@attribute H.047 numeric
@attribute NssCH2 numeric
@attribute nArCONR2 numeric
@attribute SpMin7_Bh.s. numeric
@attribute DLS_cons numeric
@attribute MATS1i numeric
@attribute ATSC3m numeric
@attribute P_VSA_MR_1 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CIC3 numeric
@attribute DLS_04 numeric
@attribute nRCONR2 numeric
@attribute ICR numeric
@attribute P_VSA_p_1 numeric
@attribute SpMax8_Bh.p. numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_v_1 numeric
@attribute SpMin8_Bh.m. numeric
@attribute P_VSA_s_2 numeric
@attribute Hy numeric
@attribute Yindex numeric
@attribute SIC3 numeric
@attribute DECC numeric
@attribute ATSC4p numeric
@attribute SpMax8_Bh.v. numeric
@attribute DLS_05 numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin6_Bh.s. numeric
@attribute ATSC4m numeric
@attribute SIC5 numeric
@attribute P_VSA_LogP_7 numeric
@attribute Vindex numeric
@attribute ATSC6v numeric
@attribute SIC4 numeric
@attribute ATSC3p numeric
@attribute SpMax8_Bh.e. numeric
@attribute ATSC8v numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMin4_Bh.s. numeric
@attribute GATS1i numeric
@attribute BIC3 numeric
@attribute ATS2i numeric
@attribute ATSC7v numeric
@attribute SpMin7_Bh.m. numeric
@attribute Xindex numeric
@attribute HVcpx numeric
@attribute ON1V numeric
@attribute ATS3e numeric
@attribute MATS1p numeric
@attribute SpMax8_Bh.i. numeric
@attribute BIC4 numeric
@attribute SpMin8_Bh.v. numeric
@attribute SpMax3_Bh.p. numeric
@attribute ATSC5p numeric
@attribute SpMin8_Bh.p. numeric
@attribute CIC2 numeric
@attribute Rperim numeric
@attribute AECC numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMax3_Bh.i. numeric
@attribute ATS8p numeric
@attribute SpMin8_Bh.i. numeric
@attribute NRS numeric
@attribute SpMax3_Bh.e. numeric
@attribute IDE numeric
@attribute SAdon numeric
@attribute pXC50 numeric

@data
{3 8,7 0.8,8 -0.053,9 12.301,10 105.94,11 0.32,12 0.32,13 0.56,14 0.6,16 2.257,17 105.94,18 1.671,19 105.94,20 105.94,21 105.94,22 0.381,23 105.94,24 -0.265,25 0.875,26 0.879,27 1.013,28 4.436,29 1.599,33 11.783,34 0.931,35 94.169,36 0.311,37 3.536,38 0.931,39 4.645,40 1.931,41 3.359,42 3.187,43 0.218,44 1.001,45 0.81,46 3.858,47 3.346,48 0.705,49 0.475,50 2.884,51 1.374,52 3.928,53 0.004,54 2.028,55 0.857,56 0.265,57 3.271,58 4.318,59 0.145,60 1.36,61 12,62 7.067,63 1.303,64 3.321,65 2.437,67 2,68 3.281,69 2.934,70 18.011,71 4.177}
{0 CHEMBL1200596,3 3,7 0.75,8 0.013,9 6.286,10 47.084,14 0.4,16 1.738,17 47.084,18 1.134,19 47.084,20 47.084,21 47.084,23 47.084,24 -0.127,25 1.43,26 1,27 0.686,28 2.712,29 1.074,33 9.704,34 1,35 35.313,36 0.435,37 1.995,38 1,39 2.864,40 1.51,42 2.932,43 0.013,44 0.958,45 0.904,46 3.53,47 0.687,48 0.219,49 0.609,50 2.345,51 0.96,52 3.698,53 0.104,54 1.674,55 0.904,57 2.928,58 2.214,60 0.375,61 10,62 4.692,63 1.062,64 3.078,67 1,68 3.065,69 2.308,70 42.683,71 4.502}
{0 CHEMBL1201149,1 2,2 1,3 8,4 8,6 0.603,7 0.98,8 0.024,9 35.011,10 164.795,11 0.458,12 0.458,13 0.458,14 1,16 2.469,17 247.193,18 2.705,19 247.193,20 247.193,21 247.193,22 1.153,23 247.193,24 0.233,25 0.739,26 0.918,27 1.283,28 15.702,29 2.706,30 1,31 0.395,32 0.818,33 43.674,34 0.918,35 247.193,36 0.229,37 19.022,38 0.918,39 13.196,40 2.915,41 9.791,42 3.617,43 0.995,44 1.163,45 0.879,46 4.803,47 14.617,48 1.311,49 0.33,50 2.796,51 3.263,52 5.055,53 0.096,54 2.972,55 0.879,56 1.141,57 3.616,58 16.195,59 1.135,60 0.917,61 18,62 7.36,63 1.779,64 3.741,65 3.298,66 0.853,67 2,68 3.715,69 2.947,70 85.367,71 4.502}
{0 CHEMBL1212972,3 5,4 2,6 0.045,7 0.9,8 0.101,9 18.771,10 82.398,11 0.243,12 0.243,13 0.299,14 0.8,16 2.447,17 141.253,18 2.446,19 141.253,20 141.253,21 141.253,22 0.837,23 141.253,24 0.348,25 0.884,26 0.942,27 1.273,28 8.484,29 2.479,30 0.5,32 0.15,33 19.996,34 0.953,35 141.253,36 0.291,37 8.473,38 0.953,39 8.005,40 2.657,41 5.739,42 3.364,43 0.666,44 0.986,45 0.887,46 4.356,47 5.733,48 0.895,49 0.43,50 2.914,51 2.163,52 4.574,53 0.105,54 2.702,55 0.897,56 0.892,57 3.35,58 8.219,59 0.904,60 0.653,61 14,62 7.727,63 1.706,64 3.544,65 2.761,66 0.556,67 1,68 3.525,69 3.053,70 85.367,71 4.177}
{0 CHEMBL125044,3 12,6 0.218,7 0.77,8 0.077,9 12.062,10 141.253,11 0.434,12 0.375,13 0.669,14 0.4,16 2.72,17 141.253,18 2.493,19 141.253,20 141.253,21 141.253,22 0.962,23 141.253,24 -0.807,25 0.615,26 0.868,27 1.479,28 5.677,29 2.478,31 0.08,32 0.222,33 13.446,34 0.926,35 141.253,36 0.217,37 5.391,38 0.915,39 5.691,40 2.657,41 3.355,42 3.506,43 0.572,44 0.878,45 0.795,46 4.25,47 3.492,48 1.114,49 0.334,50 3.179,51 1.987,52 4.316,53 0.003,54 2.733,55 0.838,56 0.932,57 3.5,58 5.298,59 0.907,60 1.391,61 19,62 9.273,63 1.744,64 3.647,65 3.087,66 0.687,67 2,68 3.608,69 3.293,71 4.398}
{0 CHEMBL1256686,3 9,4 4,6 0.698,7 0.85,8 -0.077,9 48.394,10 341.362,11 0.504,12 0.424,13 0.667,14 0.9,16 3.122,17 400.217,18 3.04,19 400.217,20 400.217,21 400.217,22 1.626,23 400.217,24 0.764,25 0.444,26 0.893,27 2.036,28 19.315,29 3.066,30 1,31 0.686,32 0.846,33 59.852,34 0.932,35 388.446,36 0.161,37 30.182,38 0.919,39 16.766,40 3.298,41 27.646,42 3.785,43 1.112,44 1.346,45 0.86,46 5.181,47 28.43,48 1.64,49 0.252,50 3.682,51 4.865,52 5.344,53 -0.021,54 3.343,55 0.885,56 1.603,57 3.777,58 20.696,59 1.579,60 1.184,61 26,62 13.184,63 1.982,64 3.954,65 4.549,66 1.207,67 3,68 3.915,69 3.855,70 77.48,71 4.398}
{0 CHEMBL1287980,2 1,3 23,6 0.469,7 0.74,8 -0.012,9 23.557,10 270.735,11 0.732,12 0.732,13 0.964,14 0.6,16 2.859,17 270.735,18 2.817,19 270.735,20 270.735,21 270.735,22 1.303,23 270.735,24 -0.805,25 0.522,26 0.833,27 1.549,28 12.219,29 2.794,31 0.411,32 0.732,33 30.242,34 0.873,35 270.735,36 0.181,37 16.534,38 0.873,39 9.917,40 2.992,41 13.88,42 3.819,43 0.864,44 1.127,45 0.777,46 4.787,47 15.041,48 1.417,49 0.277,50 3.381,51 3.224,52 4.825,53 0.001,54 3.076,55 0.814,56 1.308,57 3.818,58 12.581,59 1.239,60 1.843,61 24,62 10.719,63 1.97,64 3.936,65 4.127,66 0.96,67 3,68 3.907,69 3.568,71 4.177}
{0 CHEMBL1299184,1 4,3 17,4 6,6 0.456,7 0.9,8 -0.152,9 31.969,10 270.735,11 1.085,12 1.085,13 1.137,14 0.8,16 2.888,17 317.82,18 2.735,19 317.82,20 317.82,21 317.82,22 1.24,23 317.82,24 -0.874,25 0.756,26 0.801,27 1.692,28 13.121,29 2.715,30 0.5,31 0.403,32 0.584,33 35.358,34 0.811,35 317.82,36 0.272,37 19.477,38 0.811,39 11.941,40 2.854,41 20.148,42 3.681,43 1.061,44 1.31,45 0.768,46 4.755,47 18.861,48 1.315,49 0.424,50 3.34,51 3.682,52 4.854,53 -0.05,54 2.925,55 0.777,56 1.131,57 3.678,58 13.061,59 1.062,60 1.524,61 12,62 10.5,63 1.967,64 3.873,65 4.205,66 0.821,67 2,68 3.824,69 3.515,71 4.398}
{0 CHEMBL1299266,1 1,2 1,3 7,4 1,7 0.9,8 -0.23,9 15.919,10 82.398,11 0.629,12 0.629,13 0.694,14 0.8,15 1,16 2.224,17 153.024,18 2.171,19 153.024,20 153.024,21 153.024,22 0.692,23 153.024,24 -0.709,25 1.003,26 0.86,27 0.981,28 5.392,29 2.241,30 0.5,32 0.15,33 14.667,34 0.873,35 153.024,36 0.339,37 4.813,38 0.873,39 5.418,40 2.559,41 4.306,42 3.324,43 0.469,44 1.393,45 0.812,46 4.222,47 3.847,48 0.941,49 0.507,50 2.837,51 1.901,52 4.292,53 -0.118,54 2.597,55 0.824,56 0.71,57 3.308,58 4.361,59 0.714,60 0.952,61 9,62 7.167,63 1.639,64 3.53,65 2.876,66 0.235,67 1,68 3.486,69 2.966,71 4.398}
{0 CHEMBL1299526,1 1,2 1,3 7,4 1,7 0.75,8 -0.041,9 15.356,10 129.482,11 0.365,12 0.365,13 0.365,14 0.4,16 2.744,17 129.482,18 2.542,19 129.482,20 129.482,21 129.482,22 0.902,23 129.482,24 -0.119,25 0.753,26 0.93,27 1.491,28 6.387,29 2.596,32 0.223,33 15.642,34 0.93,35 117.711,36 0.275,37 4.57,38 0.93,39 5.563,40 2.851,41 4.984,42 3.34,43 0.63,44 1.306,45 0.872,46 4.362,47 5.504,48 0.933,49 0.432,50 3.335,51 1.903,52 4.426,53 -0.024,54 2.907,55 0.872,56 0.994,57 3.299,58 6.633,59 1.014,60 0.473,61 12,62 10.28,63 1.61,64 3.615,65 3.319,66 0.615,67 2,68 3.587,69 3.493,70 18.011,71 4.502}
{0 CHEMBL1299557,1 2,3 13,4 2,6 0.213,7 0.7,8 0.004,9 21.176,10 153.024,11 0.4,12 0.4,13 0.55,14 0.4,16 2.936,17 153.024,18 2.614,19 153.024,20 153.024,21 153.024,22 1.071,23 153.024,24 -0.18,25 0.613,26 0.897,27 1.757,28 7.652,29 2.608,31 0.152,32 0.218,33 22.459,34 0.925,35 153.024,36 0.236,37 5.737,38 0.925,39 8.376,40 2.795,41 4.244,42 3.518,43 0.701,44 1.195,45 0.833,46 4.396,47 4.453,48 1.124,49 0.382,50 3.534,51 2.068,52 4.534,53 -0.056,54 2.858,55 0.859,56 1.032,57 3.563,58 6.229,59 1.011,60 1.163,61 12,62 11.885,63 1.683,64 3.707,65 3.196,66 0.719,67 2,68 3.688,69 3.721,70 16.405,71 4.398}
{0 CHEMBL1300035,1 6,2 1,3 15,4 6,6 0.32,7 0.93,8 -0.149,9 27.216,10 188.338,11 0.646,12 0.646,13 0.646,14 1,16 3.051,17 268.531,18 2.893,19 223.651,20 223.651,21 223.651,22 1.176,23 231.41,24 0.982,25 0.525,26 0.888,27 1.983,28 10.409,29 2.909,30 1,31 0.23,32 0.751,33 30.612,34 0.888,35 244.099,36 0.197,37 12.911,38 0.888,39 9.32,40 3.111,41 9.066,42 3.507,43 0.875,44 1.166,45 0.853,46 4.847,47 12.044,48 1.18,49 0.315,50 3.645,51 3.185,52 4.847,53 -0.045,54 3.127,55 0.853,56 1.256,57 3.492,58 10.924,59 1.28,60 0.832,61 18,62 13.515,63 1.84,64 3.755,65 3.812,66 0.944,67 3,68 3.705,69 3.873,70 50.908,71 4.097}
{0 CHEMBL1300269,1 1,2 2,3 13,4 1,6 0.375,7 0.8,8 -0.211,9 20.668,10 200.109,11 0.424,12 0.424,13 0.544,14 0.6,16 2.683,17 200.109,18 2.741,19 200.109,20 200.109,21 200.109,22 1.181,23 219.241,24 -0.288,25 0.67,26 0.902,27 1.388,28 9.032,29 2.768,31 0.218,32 0.538,33 25.796,34 0.923,35 188.338,36 0.226,37 9.744,38 0.923,39 8.848,40 2.95,41 12.368,42 3.743,43 0.787,44 1.339,45 0.841,46 4.605,47 10.786,48 1.374,49 0.339,50 3.176,51 2.55,52 4.676,53 -0.05,54 2.971,55 0.862,56 1.107,57 3.725,58 9.563,59 1.144,60 0.979,61 21,62 9.214,63 1.703,64 3.9,65 3.884,66 0.861,67 3,68 3.865,69 3.309,70 16.786,71 5.5}
{0 CHEMBL1300729,3 9,6 0.129,7 0.77,8 -0.001,9 12.486,10 105.94,11 0.149,12 0.149,13 0.149,14 0.4,16 2.754,17 105.94,18 2.424,19 105.94,20 105.94,21 105.94,22 0.763,23 105.94,24 -0.175,25 0.59,26 0.97,27 1.595,28 4.722,29 2.325,32 0.153,33 10.582,34 0.97,35 137.218,36 0.218,37 3.181,38 0.97,39 5.335,40 2.456,41 2.33,42 3.465,43 0.55,44 1.048,45 0.894,46 4.167,47 2.729,48 1.002,49 0.345,50 3.325,51 1.676,52 4.14,53 0.003,54 2.491,55 0.894,56 0.853,57 3.398,58 4.562,59 0.848,60 0.633,61 16,62 10.045,63 1.573,64 3.708,65 3.024,66 0.545,67 3,68 3.68,69 3.453,70 18.011,71 4.177}
{0 CHEMBL1301601,3 7,4 3,6 0.173,7 0.78,8 0.176,9 27.689,10 164.795,11 0.178,12 0.178,13 0.311,14 0.6,16 3.098,17 164.795,18 2.773,19 164.795,20 164.795,21 164.795,22 1.054,23 164.795,24 1.023,25 0.516,26 0.943,27 2.194,28 7.694,29 2.763,31 0.148,32 0.237,33 28.383,34 0.968,35 153.024,36 0.206,37 7.313,38 0.968,39 8.383,40 2.87,41 7.866,42 3.579,43 0.637,44 1.036,45 0.888,46 4.494,47 7.637,48 1.183,49 0.343,50 3.72,51 2.486,52 4.649,53 0.095,54 2.915,55 0.911,56 1.049,57 3.578,58 6.569,59 1.007,60 0.837,61 12,62 13.643,63 1.907,64 3.783,65 3.492,66 0.83,67 2,68 3.737,69 3.953,70 78.582,71 4.398}
{0 CHEMBL1301723,2 1,3 11,6 0.218,7 0.77,8 -0.116,9 14.402,10 153.024,11 0.308,12 0.308,13 0.378,14 0.4,16 2.377,17 153.024,18 2.723,19 153.024,20 153.024,21 153.024,22 1.15,23 153.024,24 -0.798,25 0.789,26 0.928,27 1.05,28 6.513,29 2.713,31 0.157,32 0.25,33 14.188,34 0.942,35 129.482,36 0.263,37 7.238,38 0.942,39 6.419,40 2.854,41 10.478,42 3.728,43 0.574,44 1.047,45 0.847,46 4.292,47 8.722,48 1.181,49 0.393,50 2.971,51 2.218,52 4.428,53 -0.058,54 2.925,55 0.859,56 1.107,57 3.713,58 6.513,59 1.062,60 0.985,61 17,62 7.962,63 1.711,64 3.856,65 3.838,66 0.821,67 3,68 3.838,69 3.136,71 4.502}
{0 CHEMBL1301939,1 1,2 1,3 13,4 1,6 0.226,7 0.65,8 -0.112,9 17.306,10 164.795,11 0.082,12 0.041,13 0.219,14 0.3,16 3.214,17 164.795,18 2.817,19 164.795,20 164.795,21 164.795,22 1.121,23 164.795,24 -0.737,25 0.404,26 0.961,27 2.155,28 9.204,29 2.829,31 0.186,32 0.398,33 22.546,34 0.993,35 153.024,36 0.151,37 8.458,38 0.985,39 8.769,40 2.977,41 6.512,42 3.874,43 0.704,44 1.08,45 0.885,46 4.603,47 7.303,48 1.151,49 0.24,50 3.714,51 2.838,52 4.774,53 -0.035,54 2.997,55 0.907,56 1.097,57 3.88,58 8.999,59 1.09,60 1.078,61 25,62 13.914,63 1.944,64 3.938,65 3.842,66 0.864,67 3,68 3.928,69 3.908,71 4.398}
{0 CHEMBL1302178,1 2,3 16,4 2,6 0.233,7 0.78,8 -0.149,9 17.57,10 188.338,11 0.789,12 0.745,13 0.895,14 0.6,16 2.955,17 188.338,18 2.711,19 188.338,20 188.338,21 188.338,22 1.123,23 188.338,24 -0.252,25 0.462,26 0.837,27 1.847,28 6.989,29 2.71,31 0.169,32 0.327,33 17.956,34 0.864,35 188.338,36 0.173,37 6.328,38 0.856,39 7.081,40 2.881,41 5.733,42 3.483,43 0.584,44 1.292,45 0.786,46 4.591,47 5.932,48 1.178,49 0.277,50 3.543,51 2.439,52 4.572,53 -0.174,54 2.923,55 0.805,56 1.129,57 3.413,58 7.113,59 1.173,60 1.239,61 21,62 11.821,63 1.692,64 3.738,65 3.358,66 0.871,67 3,68 3.711,69 3.708,70 18.011,71 4.502}
{0 CHEMBL1302391,1 4,2 2,3 12,4 6,6 0.7,7 0.88,8 -0.264,9 37.304,10 223.651,11 0.658,12 0.658,13 0.695,14 0.8,15 1,16 2.886,17 270.735,18 2.923,19 270.735,20 270.735,21 270.735,22 1.286,23 270.735,24 -0.25,25 0.444,26 0.879,27 1.833,28 13.046,29 2.91,30 0.5,31 0.569,32 0.731,33 47.502,34 0.886,35 270.735,36 0.163,37 16.103,38 0.886,39 11.601,40 3.111,41 13.013,42 3.696,43 0.988,44 1.547,45 0.83,46 4.903,47 17.005,48 1.49,49 0.258,50 3.439,51 3.389,52 4.968,53 -0.129,54 3.166,55 0.836,56 1.429,57 3.692,58 11.043,59 1.376,60 1.176,61 23,62 11.233,63 1.796,64 3.892,65 3.786,66 1.064,67 3,68 3.836,69 3.659,70 16.663,71 4.849}
{0 CHEMBL1302600,3 11,6 0.176,7 0.76,8 0.139,9 21.901,10 164.795,11 0.354,12 0.354,13 0.597,14 0.6,16 2.761,17 164.795,18 2.492,19 164.795,20 164.795,21 164.795,22 0.991,23 164.795,24 -0.338,25 0.619,26 0.884,27 1.651,28 6.363,29 2.478,31 0.063,32 0.218,33 20.257,34 0.931,35 164.795,36 0.239,37 5.436,38 0.931,39 6.81,40 2.715,41 7.401,42 3.496,43 0.486,44 0.913,45 0.828,46 4.229,47 6.307,48 1.067,49 0.386,50 3.364,51 1.997,52 4.3,53 0.033,54 2.811,55 0.872,56 0.964,57 3.491,58 5.805,59 0.94,60 1.334,61 12,62 10.333,63 1.791,64 3.693,65 3.325,66 0.607,67 2,68 3.634,69 3.529,70 17.888,71 4.177}
{0 CHEMBL1303028,2 1,3 15,4 1,6 0.218,7 0.9,8 -0.033,9 27.036,10 200.109,11 0.655,12 0.655,13 0.655,14 0.8,16 2.721,17 200.109,18 2.735,19 200.109,20 200.109,21 200.109,22 1.181,23 200.109,24 -0.301,25 0.704,26 0.879,27 1.458,28 9.494,29 2.715,30 0.5,31 0.218,32 0.414,33 29.291,34 0.879,35 200.109,36 0.246,37 11.796,38 0.879,39 8.8,40 2.854,41 11.117,42 3.525,43 0.701,44 1.094,45 0.831,46 4.504,47 10.381,48 1.181,49 0.375,50 3.228,51 2.353,52 4.536,53 -0.024,54 2.925,55 0.831,56 1.107,57 3.54,58 9.718,59 1.062,60 1.036,61 17,62 9.625,63 1.693,64 3.712,65 3.753,66 0.821,67 3,68 3.664,69 3.356,70 18.011,71 4.097}
{0 CHEMBL1303334,1 1,3 9,4 1,6 0.218,7 0.9,8 0.014,9 17.782,10 211.88,11 0.796,12 0.639,13 1.224,14 0.8,16 2.55,17 211.88,18 2.638,19 211.88,20 211.88,21 211.88,22 1.109,23 211.88,24 -0.404,25 0.752,26 0.767,27 1.357,28 7.86,29 2.6,30 0.5,31 0.18,32 0.406,33 20.814,34 0.878,35 211.88,36 0.277,37 8.142,38 0.848,39 7.246,40 2.854,41 6.577,42 3.335,43 0.739,44 1.105,45 0.728,46 4.377,47 7.634,48 1.181,49 0.435,50 3.134,51 2.229,52 4.384,53 0.026,54 2.921,55 0.806,56 1.074,57 3.324,58 6.908,59 1.062,60 1.761,61 12,62 8.737,63 1.682,64 3.547,65 3.261,66 0.78,67 2,68 3.498,69 3.26,70 18.011,71 4.398}
{0 CHEMBL1303373,1 1,3 11,4 1,6 0.079,7 0.77,8 0.133,9 14.73,10 129.482,11 0.333,12 0.333,13 0.333,14 0.4,16 2.928,17 129.482,18 2.67,19 129.482,20 129.482,21 129.482,22 0.874,23 129.482,24 -0.26,25 0.676,26 0.936,27 1.729,28 6.612,29 2.714,32 0.213,33 18.771,34 0.936,35 129.482,36 0.253,37 4.254,38 0.936,39 6.498,40 2.854,41 4.635,42 3.548,43 0.572,44 0.948,45 0.861,46 4.228,47 4.012,48 1.076,49 0.403,50 3.42,51 1.959,52 4.374,53 0.092,54 2.915,55 0.861,56 0.979,57 3.521,58 5.292,59 1.022,60 0.889,61 12,62 10.875,63 1.667,64 3.715,65 3.246,66 0.725,67 2,68 3.693,69 3.583,70 18.011,71 4.177}
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{0 CHEMBL1303508,3 10,6 0.218,7 0.77,8 0.095,9 16.08,10 117.711,11 0.229,12 0.229,13 0.503,14 0.4,16 2.376,17 117.711,18 2.684,19 117.711,20 117.711,21 117.711,22 1.046,23 117.711,24 0.278,25 0.693,26 0.902,27 1.081,28 6.181,29 2.671,31 0.175,32 0.239,33 13.011,34 0.955,35 149.931,36 0.232,37 7.96,38 0.955,39 7.137,40 2.772,41 7.646,42 3.649,43 0.458,44 0.815,45 0.824,46 4.238,47 8.427,48 1.1,49 0.347,50 2.966,51 2.007,52 4.346,53 0.087,54 2.818,55 0.873,56 1.03,57 3.723,58 6.639,59 0.989,60 1.204,61 20,62 7.826,63 1.667,64 3.743,65 3.526,66 0.775,67 3,68 3.737,69 3.084,70 34.796,71 4.177}
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{0 CHEMBL1310734,3 16,4 1,6 0.577,7 1,8 -0.19,9 27.646,10 282.506,11 1.438,12 0.974,13 1.617,14 1,16 2.322,17 306.049,18 2.901,19 306.049,20 306.049,21 306.049,22 1.522,23 306.049,24 -0.759,25 0.752,26 0.722,27 1.027,28 15.386,29 2.899,30 1,31 0.567,32 0.584,33 37.271,34 0.832,35 282.506,36 0.236,37 21.485,38 0.752,39 12.413,40 3.201,41 19.812,42 3.631,43 0.752,44 1.356,45 0.693,46 4.905,47 22.773,48 1.563,49 0.342,50 2.918,51 3.257,52 4.912,53 -0.16,54 3.281,55 0.723,56 1.468,57 3.627,58 17.072,59 1.469,60 1.831,61 19,62 7.8,63 1.843,64 3.784,65 4.138,66 1.064,67 1,68 3.758,69 3.03,71 4.502}
{0 CHEMBL1310782,3 10,6 0.213,7 0.63,8 0.009,9 20.269,10 129.482,11 0.262,12 0.262,13 0.307,14 0.3,16 2.899,17 129.482,18 2.797,19 129.482,20 129.482,21 129.482,22 1.066,23 129.482,24 1.065,25 0.74,26 0.944,27 1.622,28 9.411,29 2.769,31 0.153,32 0.235,33 26.14,34 0.952,35 117.711,36 0.269,37 7.295,38 0.952,39 8.223,40 2.879,41 7.757,42 3.532,43 0.576,44 1.167,45 0.891,46 4.497,47 7.191,48 1.14,49 0.423,50 3.467,51 2.183,52 4.621,53 0.057,54 2.922,55 0.899,56 1.06,57 3.555,58 10.419,59 1.017,60 0.799,61 12,62 11.667,63 1.628,64 3.723,65 3.908,66 0.824,67 2,68 3.682,69 3.652,70 54.032,71 4.34}
{0 CHEMBL1310804,3 11,6 0.187,7 0.71,8 0.031,9 13.662,10 129.482,11 0.161,12 0.161,13 0.399,14 0.4,16 2.908,17 174.362,18 2.722,19 129.482,20 129.482,21 129.482,22 1.09,23 137.242,24 -0.25,25 0.624,26 0.926,27 1.704,28 8.179,29 2.718,31 0.149,32 0.213,33 20.712,34 0.97,35 129.482,36 0.224,37 5.991,38 0.97,39 7.688,40 2.881,41 7.306,42 3.783,43 0.341,44 0.832,45 0.86,46 4.455,47 7.065,48 1.129,49 0.349,50 3.41,51 2.266,52 4.584,53 0.052,54 2.922,55 0.901,56 1.063,57 3.787,58 6.924,59 1.031,60 1.305,61 18,62 10.967,63 1.941,64 3.87,65 3.681,66 0.797,67 3,68 3.847,69 3.608,70 18.011,71 4.177}
{0 CHEMBL1311252,1 2,2 1,3 9,4 6,6 0.256,7 1,8 -0.12,9 24.47,10 176.567,11 0.732,12 0.637,13 0.78,14 1,16 2.701,17 277.113,18 2.643,19 247.193,20 247.193,21 247.193,22 1.17,23 257.366,24 -0.75,25 0.734,26 0.855,27 1.692,28 9.32,29 2.649,30 1,31 0.218,32 0.4,33 26.592,34 0.882,35 235.422,36 0.271,37 10.232,38 0.864,39 8.599,40 2.854,41 8.491,42 3.267,43 0.819,44 1.167,45 0.83,46 4.616,47 8.404,48 1.181,49 0.427,50 3.234,51 2.827,52 4.66,53 -0.09,54 2.925,55 0.839,56 1.107,57 3.284,58 9.169,59 1.062,60 1.161,61 12,62 9.476,63 1.798,64 3.523,65 3.322,66 0.754,67 2,68 3.464,69 3.408,71 4.398}
{0 CHEMBL1311826,3 10,6 0.115,7 0.8,8 0.005,9 14.277,10 164.795,11 0.257,12 0.257,13 0.311,14 0.6,16 2.392,17 164.795,18 2.573,19 164.795,20 164.795,21 164.795,22 0.937,23 164.795,24 -0.31,25 0.674,26 0.94,27 1.182,28 5.606,29 2.56,31 0.025,32 0.187,33 16.752,34 0.951,35 153.024,36 0.24,37 6.129,38 0.951,39 5.569,40 2.673,41 7.858,42 3.351,43 0.624,44 1.069,45 0.875,46 4.319,47 6.122,48 1.077,49 0.371,50 3.08,51 2.043,52 4.343,53 -0.005,54 2.73,55 0.884,56 0.897,57 3.353,58 5.056,59 0.873,60 0.896,61 16,62 8.273,63 1.622,64 3.513,65 3.499,66 0.639,67 2,68 3.464,69 3.222,70 42.683,71 4.628}
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{0 CHEMBL1311879,3 9,7 0.77,8 0.076,9 11.762,10 117.711,11 0.067,13 0.384,14 0.4,16 2.524,17 117.711,18 2.383,19 117.711,20 117.711,21 117.711,22 0.837,23 117.711,24 -0.301,25 0.666,26 0.922,27 1.285,28 4.134,29 2.386,32 0.029,33 11.497,34 1,35 105.94,36 0.24,37 3.643,38 0.986,39 4.769,40 2.612,41 3.796,42 3.398,43 0.318,44 0.935,45 0.842,46 4.058,47 3.272,48 0.921,49 0.373,50 3.101,51 1.689,52 4.165,53 0.061,54 2.674,55 0.901,56 0.819,57 3.397,58 3.547,59 0.798,60 1.268,61 16,62 8.579,63 1.633,64 3.545,65 2.955,66 0.499,67 2,68 3.502,69 3.203,70 42.683,71 4.839}
{0 CHEMBL1311965,1 5,2 2,3 21,4 5,6 0.268,7 0.9,8 -0.203,9 26.639,10 247.193,11 0.844,12 0.844,13 0.906,14 0.8,15 1,16 3.074,17 247.193,18 2.735,19 247.193,20 247.193,21 247.193,22 1.181,23 247.193,24 -0.823,25 0.484,26 0.835,27 2.125,28 10.521,29 2.715,30 0.5,31 0.218,32 0.59,33 29.203,34 0.846,35 247.193,36 0.187,37 10.925,38 0.846,39 9.659,40 2.854,41 9.917,42 3.627,43 0.825,44 1.341,45 0.793,46 4.599,47 10.556,48 1.181,49 0.305,50 3.575,51 2.697,52 4.693,53 -0.061,54 2.925,55 0.804,56 1.107,57 3.614,58 9.011,59 1.062,60 1.584,61 18,62 12.208,63 1.933,64 3.84,65 3.541,66 0.821,67 3,68 3.787,69 3.734,71 4.097}
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{0 CHEMBL1312367,3 7,6 0.218,7 0.8,8 -0.052,9 16.585,10 153.024,11 0.507,12 0.453,13 0.561,14 0.6,16 2.856,17 153.024,18 2.727,19 153.024,20 153.024,21 153.024,22 0.962,23 153.024,24 -0.241,25 0.541,26 0.892,27 1.539,28 7.218,29 2.715,31 0.131,32 0.256,33 20.772,34 0.913,35 117.711,36 0.205,37 5.191,38 0.903,39 6.802,40 2.854,41 4.36,42 3.53,43 0.568,44 1.177,45 0.822,46 4.338,47 4.176,48 1.125,49 0.328,50 3.402,51 1.996,52 4.399,53 -0.095,54 2.925,55 0.831,56 1.07,57 3.599,58 5.632,59 1.059,60 1.038,61 16,62 10.87,63 1.611,64 3.701,65 3.219,66 0.794,67 2,68 3.687,69 3.541,70 16.282,71 4.398}
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{0 CHEMBL1312651,1 1,3 10,4 1,6 0.16,7 0.87,8 0.022,9 16.307,10 153.024,11 0.461,12 0.461,13 0.547,14 0.6,16 2.503,17 153.024,18 2.315,19 153.024,20 153.024,21 153.024,22 0.766,23 153.024,24 -0.334,25 0.741,26 0.891,27 1.259,28 6.456,29 2.293,30 0.5,32 0.177,33 20.589,34 0.908,35 153.024,36 0.275,37 4.963,38 0.908,39 6.189,40 2.515,41 5.508,42 3.301,43 0.569,44 1.05,45 0.837,46 4.164,47 4.893,48 1.07,49 0.433,50 3.135,51 1.82,52 4.244,53 0.03,54 2.585,55 0.853,56 0.764,57 3.288,58 5.537,59 0.74,60 1.172,61 12,62 8.667,63 1.65,64 3.526,65 3.062,66 0.414,67 2,68 3.472,69 3.228,70 18.011,71 4.398}
{0 CHEMBL1312968,3 16,6 0.237,7 0.77,8 -0.049,9 21.55,10 188.338,11 0.505,12 0.464,13 0.668,14 0.4,16 2.994,17 188.338,18 2.81,19 188.338,20 188.338,21 188.338,22 1.181,23 188.338,24 0.225,25 0.547,26 0.881,27 1.682,28 10.738,29 2.832,31 0.218,32 0.454,33 27.155,34 0.917,35 188.338,36 0.195,37 9.563,38 0.91,39 9.715,40 3.015,41 9.8,42 3.808,43 0.702,44 1.105,45 0.818,46 4.593,47 9.696,48 1.181,49 0.301,50 3.494,51 2.633,52 4.718,53 -0.039,54 3.035,55 0.845,56 1.142,57 3.808,58 9.914,59 1.134,60 1.342,61 22,62 11.871,63 1.967,64 3.904,65 4.012,66 0.886,67 3,68 3.879,69 3.63,70 60.694,71 4.367}
{0 CHEMBL1312969,3 8,6 0.391,7 0.9,8 0.083,9 23.044,10 223.651,11 0.658,12 0.658,13 0.74,14 0.8,16 2.421,17 223.651,18 2.735,19 223.651,20 223.651,21 223.651,22 1.181,23 223.651,24 0.247,25 0.802,26 0.868,27 1.153,28 10.079,29 2.715,30 0.5,31 0.218,32 0.469,33 30.89,34 0.883,35 211.88,36 0.267,37 12.893,38 0.883,39 9.387,40 2.874,41 15.149,42 3.567,43 0.83,44 1.091,45 0.817,46 4.637,47 13.899,48 1.342,49 0.399,50 3.061,51 2.915,52 4.757,53 0.09,54 3.009,55 0.831,56 1.296,57 3.565,58 10.173,59 1.239,60 1.06,61 16,62 8.679,63 1.931,64 3.77,65 4.025,66 0.821,67 2,68 3.722,69 3.219,70 60.694,71 4.177}
{0 CHEMBL1313397,3 11,6 0.15,7 0.75,8 0.082,9 14.632,10 129.482,11 0.173,12 0.173,13 0.276,14 0.4,16 2.888,17 129.482,18 2.614,19 129.482,20 129.482,21 129.482,22 1.029,23 129.482,24 0.365,25 0.577,26 0.948,27 1.787,28 7.385,29 2.592,31 0.016,32 0.164,33 16.418,34 0.967,35 161.702,36 0.213,37 5.447,38 0.967,39 6.86,40 2.76,41 3.812,42 3.599,43 0.575,44 1.001,45 0.879,46 4.338,47 4.587,48 1.091,49 0.336,50 3.425,51 2.017,52 4.406,53 0.112,54 2.833,55 0.897,56 1.012,57 3.624,58 7.63,59 0.978,60 0.78,61 17,62 10.923,63 1.573,64 3.735,65 3.216,66 0.739,67 3,68 3.725,69 3.598,70 60.694,71 4.398}
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{0 CHEMBL1313897,3 6,7 0.8,8 0.093,9 18.13,10 117.711,11 0.149,12 0.149,13 0.149,14 0.6,16 2.504,17 117.711,18 2.419,19 117.711,20 117.711,21 117.711,22 0.851,23 117.711,24 0.41,25 0.749,26 0.97,27 1.28,28 4.974,29 2.439,32 0.095,33 14.829,34 0.97,35 105.94,36 0.275,37 4.926,38 0.97,39 5.532,40 2.652,41 4.331,42 3.308,43 0.289,44 1.012,45 0.906,46 4.125,47 4.216,48 0.938,49 0.432,50 3.157,51 1.705,52 4.199,53 0.058,54 2.73,55 0.906,56 0.878,57 3.294,58 4.933,59 0.872,60 0.633,61 12,62 8.85,63 1.676,64 3.56,65 3.181,66 0.517,67 2,68 3.493,69 3.285,70 60.572,71 4.502}
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{0 CHEMBL1320678,2 2,3 5,4 4,7 1,8 0.086,9 28,10 117.711,11 0.857,12 0.857,13 0.857,14 1,16 2.187,17 164.795,18 2.126,19 164.795,20 164.795,21 164.795,22 0.768,23 164.795,24 0.445,25 0.921,26 0.833,27 0.914,28 8.571,29 2.234,30 1,32 0.168,33 36.636,34 0.833,35 153.024,36 0.3,37 9.063,38 0.833,39 8.732,40 2.614,41 5.803,42 3.227,43 0.786,44 1.206,45 0.803,46 4.427,47 7.962,48 0.793,49 0.441,50 2.813,51 2.203,52 4.66,53 0.124,54 2.664,55 0.803,56 0.854,57 3.218,58 7.633,59 0.862,60 1.279,61 15,62 7.053,63 1.539,64 3.488,65 2.838,66 0.223,67 2,68 3.424,69 2.89,70 85.611,71 4.398}
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{0 CHEMBL1322052,3 5,4 1,6 0.216,7 0.9,8 -0.046,9 22.666,10 188.338,11 0.274,12 0.274,13 0.274,14 0.8,16 2.736,17 188.338,18 2.614,19 188.338,20 188.338,21 188.338,22 1.034,23 188.338,24 1.032,25 0.728,26 0.949,27 1.452,28 8.901,29 2.611,30 0.5,31 0.09,32 0.239,33 25.28,34 0.949,35 164.795,36 0.268,37 9.002,38 0.949,39 8.554,40 2.788,41 7.5,42 3.457,43 0.678,44 1.165,45 0.902,46 4.457,47 7.963,48 1.107,49 0.422,50 3.336,51 2.558,52 4.551,53 0.029,54 2.858,55 0.902,56 1.017,57 3.48,58 9.058,59 0.992,60 0.789,61 12,62 10.13,63 1.834,64 3.668,65 3.461,66 0.71,67 2,68 3.606,69 3.46,70 78.705,71 4.398}
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{0 CHEMBL1323821,3 6,7 0.72,8 0.296,9 10.153,10 105.94,11 0.552,12 0.552,13 0.669,14 0.4,16 2.407,17 105.94,18 2.363,19 105.94,20 105.94,21 105.94,22 0.832,23 105.94,24 0.45,25 0.973,26 0.868,27 1.149,28 5.67,29 2.403,32 0.142,33 15.846,34 0.892,35 105.94,36 0.328,37 3.868,38 0.892,39 5.342,40 2.666,41 4.009,42 3.258,43 0.251,44 0.917,45 0.8,46 4.192,47 4.708,48 1.028,49 0.491,50 2.997,51 1.768,52 4.319,53 0.167,54 2.708,55 0.821,56 0.87,57 3.168,58 4.866,59 0.88,60 1.067,61 12,62 8.565,63 1.523,64 3.661,65 2.953,66 0.512,67 2,68 3.644,69 3.164,70 32.897,71 4.177}
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{0 CHEMBL1327546,7 0.85,8 0.018,9 9.814,10 82.398,11 0.887,12 0.887,13 0.887,14 0.8,16 1.555,17 82.398,18 1.223,19 82.398,20 82.398,21 82.398,22 0.31,23 82.398,24 1.636,25 1.643,26 0.801,27 0.764,28 2.127,29 1.255,30 0.5,33 11.442,34 0.801,35 82.398,36 0.523,37 2.221,38 0.801,39 2.553,40 1.759,41 1.427,42 2.836,43 0.061,44 1.311,45 0.756,46 3.855,47 2.111,48 0.376,49 0.746,50 2.432,51 1.254,52 3.784,53 -0.043,54 1.829,55 0.756,56 0.32,57 2.772,58 1.932,59 0.264,60 0.887,61 5,62 4.917,63 1.417,64 3.276,65 1.008,67 1,68 3.146,69 2.464,70 50.663,71 4.398}
{0 CHEMBL1327721,1 2,3 9,4 3,6 0.179,7 0.72,8 0.181,9 19.862,10 105.94,11 0.2,12 0.2,13 0.25,14 0.4,16 2.732,17 129.482,18 2.711,19 129.482,20 129.482,21 129.482,22 0.998,23 129.482,24 0.414,25 0.584,26 0.953,27 1.481,28 7.854,29 2.728,31 0.109,32 0.191,33 20.081,34 0.962,35 192.979,36 0.205,37 5.362,38 0.962,39 8.358,40 2.884,41 5.013,42 3.447,43 0.506,44 0.901,45 0.877,46 4.431,47 4.958,48 1.03,49 0.315,50 3.287,51 2.317,52 4.497,53 0.185,54 2.939,55 0.886,56 1.051,57 3.452,58 7.793,59 1.017,60 0.59,61 18,62 10,63 1.836,64 3.71,65 3.589,66 0.806,67 2,68 3.644,69 3.444,70 60.694,71 4.398}
{0 CHEMBL1327815,1 1,3 11,4 2,6 0.181,7 0.77,8 -0.036,9 15.605,10 167.984,11 0.333,12 0.333,13 0.389,14 0.4,16 2.914,17 167.984,18 2.58,19 153.024,20 153.024,21 153.024,22 0.977,23 153.024,24 -0.772,25 0.517,26 0.925,27 1.652,28 6.557,29 2.626,31 0.014,32 0.218,33 15.934,34 0.936,35 153.024,36 0.198,37 3.565,38 0.936,39 6.908,40 2.826,41 4.69,42 3.454,43 0.657,44 0.904,45 0.856,46 4.294,47 4.779,48 1.123,49 0.319,50 3.444,51 2.05,52 4.413,53 -0.042,54 2.833,55 0.866,56 0.971,57 3.43,58 5.585,59 0.977,60 1.07,61 15,62 11,63 1.708,64 3.623,65 3.097,66 0.695,67 2,68 3.615,69 3.593,71 4.398}
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{0 CHEMBL1328168,3 9,6 0.175,7 0.72,8 0.005,9 10.64,10 108.268,11 0.486,12 0.486,13 0.653,14 0.3,16 2.666,17 195.701,18 2.529,19 105.94,20 105.94,21 105.94,22 0.78,23 121.459,24 -0.623,25 0.684,26 0.874,27 1.416,28 7.456,29 2.564,30 0.5,32 0.218,33 17.059,34 0.906,35 138.159,36 0.239,37 3.403,38 0.906,39 7.1,40 2.746,41 3.869,42 3.588,43 0.273,44 0.798,45 0.813,46 4.382,47 3.723,48 1.056,49 0.367,50 3.203,51 1.954,52 4.377,53 0.037,54 2.809,55 0.843,56 0.918,57 3.57,58 5.98,59 0.92,60 1.501,61 18,62 9.407,63 1.612,64 3.771,65 3.362,66 0.592,67 3,68 3.73,69 3.39,71 4.398}
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{0 CHEMBL1330558,3 4,7 0.72,8 0.176,9 5.754,10 58.856,11 0.1,12 0.1,13 0.1,14 0.4,16 1.959,17 58.856,18 1.098,19 58.856,20 58.856,21 58.856,22 0.284,23 58.856,24 -0.096,25 1.22,26 0.977,27 0.918,28 2.899,29 1.029,33 7.657,34 0.977,35 47.084,36 0.392,37 1.766,38 0.977,39 2.986,40 1.504,41 0.002,42 3.04,43 0.017,44 0.923,45 0.874,46 3.648,47 0.427,48 0.531,49 0.565,50 2.524,51 1.047,52 3.781,53 0.195,54 1.708,55 0.874,56 0.139,57 2.968,58 2.118,59 0.042,60 0.5,61 10,62 5.429,63 1.186,64 3.303,65 0.297,67 1,68 3.284,69 2.566,70 42.683,71 4.177}
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{0 CHEMBL1331656,1 1,3 10,4 2,6 0.091,7 0.89,8 -0.043,9 19.217,10 140.301,11 0.265,12 0.121,13 0.652,14 0.7,16 2.042,17 163.843,18 2.545,19 163.843,20 163.843,21 163.843,22 0.759,23 163.843,24 -0.353,25 0.978,26 0.871,27 0.859,28 9.072,29 2.504,30 0.5,32 0.175,33 24.273,34 0.976,35 191.588,36 0.31,37 10.025,38 0.947,39 7.679,40 2.634,41 5.014,42 3.371,43 0.628,44 0.977,45 0.815,46 4.226,47 8.425,48 0.95,49 0.448,50 2.676,51 1.986,52 4.408,53 -0.05,54 2.689,55 0.886,56 0.777,57 3.4,58 10.062,59 0.678,60 1.235,61 17,62 6.316,63 1.729,64 3.563,65 2.315,66 0.503,67 2,68 3.506,69 2.734,71 4.398}
{0 CHEMBL1332111,3 5,7 0.74,8 0.033,9 8.8,10 73.816,11 0.286,12 0.286,13 0.286,14 0.4,16 2.754,17 73.816,18 2.16,19 58.856,20 58.856,21 58.856,22 0.549,23 58.856,24 -0.13,25 0.595,26 0.941,27 1.595,28 4.462,29 2.108,32 0.132,33 11.797,34 0.941,35 90.133,36 0.22,37 1.226,38 0.941,39 4.539,40 2.317,41 1.888,42 3.462,43 0.236,44 0.842,45 0.855,46 4.013,47 1.749,48 0.697,49 0.347,50 3.299,51 1.49,52 4.083,53 0.051,54 2.373,55 0.855,56 0.76,57 3.397,58 3.477,59 0.806,60 0.629,61 16,62 10.045,63 1.294,64 3.704,65 2.886,66 0.452,67 3,68 3.675,69 3.444,70 18.011,71 4.502}
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{0 CHEMBL1342025,1 5,2 2,3 17,4 6,5 1,6 0.574,7 0.9,8 -0.232,9 26.255,10 223.651,11 0.5,12 0.5,13 0.542,14 0.8,16 3.128,17 223.651,18 2.831,19 223.651,20 223.651,21 223.651,22 1.164,23 223.651,24 -0.323,25 0.384,26 0.903,27 2.112,28 11.078,29 2.82,30 0.5,31 0.273,32 0.616,33 31.402,34 0.91,35 200.109,36 0.147,37 11.837,38 0.91,39 9.914,40 2.948,41 9.56,42 3.621,43 0.825,44 1.387,45 0.85,46 4.735,47 11.222,48 1.382,49 0.237,50 3.605,51 2.87,52 4.793,53 -0.088,54 3.008,55 0.857,56 1.171,57 3.606,58 9.652,59 1.153,60 1.159,61 24,62 12.429,63 1.911,64 3.853,65 3.692,66 0.967,67 3,68 3.799,69 3.782,70 16.786,71 4.097}
{0 CHEMBL1342053,1 1,2 1,3 6,4 1,7 0.77,8 -0.023,9 11.355,10 70.627,11 0.337,12 0.337,13 0.414,14 0.4,15 1,16 1.865,17 105.94,18 1.973,19 105.94,20 105.94,21 105.94,22 0.358,23 105.94,24 -0.634,25 1.319,26 0.912,27 0.789,28 4.954,29 1.932,33 13.826,34 0.928,35 105.94,36 0.407,37 4.392,38 0.928,39 4.669,40 2.257,41 0.579,42 3.28,43 0.252,44 1.203,45 0.843,46 4.014,47 2.664,48 0.681,49 0.578,50 2.503,51 1.644,52 4.122,53 0.021,54 2.345,55 0.858,56 0.492,57 3.283,58 4.787,59 0.469,60 0.721,61 10,62 5.588,63 1.563,64 3.576,65 0.577,66 0.138,67 1,68 3.5,69 2.573,71 4.398}
{0 CHEMBL1342221,3 14,6 0.328,7 0.8,8 0.091,9 22.529,10 200.109,11 0.5,12 0.5,13 0.633,14 0.6,16 3.235,17 200.109,18 2.832,19 200.109,20 200.109,21 200.109,22 1.181,23 200.109,24 0.908,25 0.453,26 0.888,27 2.208,28 8.938,29 2.845,31 0.218,32 0.482,33 24.15,34 0.912,35 200.109,36 0.177,37 8.736,38 0.912,39 8.809,40 3.026,41 9.203,42 3.638,43 0.659,44 1.008,45 0.835,46 4.624,47 9.014,48 1.29,49 0.289,50 3.789,51 2.715,52 4.669,53 0.019,54 3.096,55 0.857,56 1.205,57 3.622,58 8.836,59 1.221,60 1.153,61 17,62 14.71,63 1.757,64 3.788,65 3.732,66 0.897,67 3,68 3.759,69 3.989,70 53.787,71 4.398}
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{0 CHEMBL1342423,3 6,6 0.086,7 0.77,8 -0.078,9 12.286,10 124.089,14 0.4,16 2.877,17 124.089,18 2.517,19 94.169,20 94.169,21 94.169,22 0.805,23 94.169,24 0.407,25 0.547,26 1,27 1.675,28 5.097,29 2.514,32 0.144,33 12.431,34 1,35 101.904,36 0.206,37 3.472,38 1,39 5.518,40 2.691,41 2.836,42 3.575,43 0.419,44 0.948,45 0.921,46 4.195,47 3.631,48 1.041,49 0.33,50 3.406,51 1.746,52 4.278,53 0.046,54 2.743,55 0.921,56 0.885,57 3.621,58 4.942,59 0.912,60 0.591,61 17,62 10.826,63 1.455,64 3.717,65 3.049,66 0.644,67 3,68 3.682,69 3.55,70 36.022,71 4.398}
{0 CHEMBL1342526,1 1,3 6,4 2,6 0.218,7 0.9,8 0.007,9 23.571,10 179.756,11 0.525,12 0.525,13 0.525,14 0.8,16 2.939,17 179.756,18 2.678,19 164.795,20 164.795,21 164.795,22 0.988,23 164.795,24 1.121,25 0.579,26 0.902,27 1.896,28 8.894,29 2.662,30 0.5,31 0.091,32 0.25,33 44.184,34 0.902,35 164.795,36 0.226,37 9.193,38 0.902,39 7.134,40 2.847,41 5.115,42 3.448,43 0.716,44 1.048,45 0.859,46 4.485,47 5.815,48 1.168,49 0.37,50 3.519,51 2.263,52 4.52,53 0.011,54 2.925,55 0.859,56 1.045,57 3.449,58 8.108,59 1.06,60 0.817,61 11,62 11.875,63 1.75,64 3.693,65 3.265,66 0.707,67 2,68 3.639,69 3.719,70 53.787,71 4.398}
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{0 CHEMBL1342907,3 7,6 0.085,7 0.77,8 -0.033,9 10.876,10 94.169,11 0.412,12 0.353,13 0.694,14 0.4,16 2.939,17 124.089,18 2.561,19 94.169,20 94.169,21 94.169,22 0.853,23 104.341,24 0.461,25 0.633,26 0.864,27 1.875,28 5.681,29 2.595,32 0.174,33 14.278,34 0.931,35 82.398,36 0.242,37 3.358,38 0.919,39 5.255,40 2.797,41 3.98,42 3.27,43 0.253,44 0.99,45 0.805,46 4.251,47 3.652,48 1.082,49 0.391,50 3.503,51 1.699,52 4.308,53 0.03,54 2.856,55 0.856,56 0.95,57 3.193,58 5.546,59 0.961,60 1.214,61 12,62 11.625,63 1.414,64 3.6,65 3.106,66 0.635,67 2,68 3.568,69 3.682,70 36.022,71 4.177}
{0 CHEMBL1343042,3 7,7 0.8,8 0.014,9 12.499,10 144.442,11 0.153,12 0.153,13 0.307,14 0.6,16 2.479,17 144.442,18 2.408,19 129.482,20 129.482,21 129.482,22 0.834,23 129.482,24 -0.249,25 0.747,26 0.938,27 1.252,28 3.916,29 2.434,32 0.142,33 12.891,34 0.969,35 117.711,36 0.275,37 4.476,38 0.969,39 4.592,40 2.644,41 4.102,42 3.305,43 0.292,44 0.962,45 0.873,46 4.121,47 4.148,48 0.95,49 0.432,50 3.131,51 1.711,52 4.165,54 2.724,55 0.902,56 0.853,57 3.29,58 3.82,59 0.85,60 0.941,61 12,62 8.737,63 1.676,64 3.561,65 3.007,66 0.5,67 2,68 3.492,69 3.246,70 17.888,71 4.398}
{0 CHEMBL1343337,1 4,2 2,3 18,4 4,6 0.218,7 0.9,8 -0.113,9 24.45,10 211.88,11 0.727,12 0.682,13 1,14 0.8,15 1,16 2.95,17 211.88,18 2.735,19 211.88,20 211.88,21 211.88,22 1.181,23 211.88,24 -0.722,25 0.52,26 0.817,27 2.024,28 9.374,29 2.715,30 0.5,31 0.213,32 0.367,33 26.137,34 0.875,35 211.88,36 0.198,37 10.2,38 0.867,39 8.787,40 2.854,41 7.602,42 3.597,43 0.825,44 1.291,45 0.768,46 4.561,47 8.154,48 1.186,49 0.318,50 3.503,51 2.59,52 4.684,53 -0.023,54 2.925,55 0.815,56 1.107,57 3.582,58 9.081,59 1.062,60 1.545,61 18,62 11.846,63 1.893,64 3.826,65 3.462,66 0.821,67 3,68 3.772,69 3.711,71 4.097}
{0 CHEMBL1343689,3 8,6 0.163,7 0.77,8 -0.062,9 14.289,10 129.482,11 0.136,12 0.136,13 0.364,14 0.4,16 2.534,17 129.482,18 2.618,19 129.482,20 129.482,21 129.482,22 1.035,23 129.482,24 0.304,25 0.572,26 0.929,27 1.306,28 5.765,29 2.594,31 0.146,32 0.192,33 15.345,34 0.974,35 129.482,36 0.206,37 5.434,38 0.974,39 5.666,40 2.786,41 4.179,42 3.421,43 0.516,44 1.128,45 0.849,46 4.307,47 4.278,48 1.124,49 0.319,50 3.167,51 2.038,52 4.36,53 0.004,54 2.868,55 0.889,56 1.011,57 3.407,58 4.786,59 0.981,60 1.05,61 18,62 8.818,63 1.743,64 3.594,65 3.183,66 0.725,67 2,68 3.557,69 3.294,70 34.796,71 4.177}
{0 CHEMBL1343705,3 7,6 0.012,7 0.77,8 -0.073,9 16.024,10 105.94,11 0.069,12 0.069,13 0.069,14 0.4,16 2.215,17 105.94,18 2.239,19 105.94,20 105.94,21 105.94,22 0.633,23 105.94,24 -0.198,25 0.803,26 0.986,27 0.981,28 5.936,29 2.227,32 0.059,33 14.236,34 0.986,35 113.675,36 0.273,37 5.113,38 0.986,39 6.594,40 2.39,41 3.738,42 3.412,43 0.637,44 1.078,45 0.894,46 4.07,47 4.135,48 0.874,49 0.41,50 2.884,51 1.54,52 4.172,53 -0.063,54 2.467,55 0.894,56 0.725,57 3.504,58 5.885,59 0.708,60 0.747,61 15,62 7.211,63 1.633,64 3.56,65 2.835,66 0.326,67 2,68 3.552,69 2.976,70 16.405,71 4.502}
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{0 CHEMBL1344542,3 6,4 2,6 0.557,7 0.9,8 0.033,9 28.019,10 247.193,11 0.536,12 0.536,13 0.536,14 0.8,16 2.5,17 247.193,18 2.796,19 247.193,20 247.193,21 247.193,22 1.344,23 247.193,24 -0.419,25 0.696,26 0.905,27 1.259,28 15.86,29 2.793,30 0.5,31 0.469,32 0.597,33 40.429,34 0.905,35 254.929,36 0.224,37 17.883,38 0.905,39 11.7,40 2.974,41 19.044,42 3.749,43 0.82,44 0.988,45 0.85,46 4.713,47 17.919,48 1.369,49 0.329,50 2.916,51 3.033,52 4.846,53 0.076,54 3.058,55 0.85,56 1.306,57 3.765,58 12.97,59 1.239,60 0.855,61 23,62 7.667,63 1.832,64 3.853,65 4.018,66 0.861,67 2,68 3.827,69 3.079,70 18.011,71 4.097}
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{0 CHEMBL1494120,1 1,3 11,4 1,6 0.169,7 0.77,8 -0.102,9 20.661,10 141.253,11 0.388,12 0.388,13 0.388,14 0.4,16 3.083,17 141.253,18 2.648,19 141.253,20 141.253,21 141.253,22 0.875,23 160.386,24 -0.198,25 0.658,26 0.926,27 1.92,28 8.191,29 2.621,32 0.218,33 25.678,34 0.926,35 129.482,36 0.248,37 5.538,38 0.926,39 7.303,40 2.781,41 4.197,42 3.62,43 0.578,44 1.213,45 0.87,46 4.312,47 4.624,48 1.079,49 0.397,50 3.55,51 1.918,52 4.416,53 -0.033,54 2.85,55 0.87,56 0.987,57 3.684,58 7.621,59 0.974,60 0.691,61 12,62 12,63 1.578,64 3.673,65 3.349,66 0.69,67 2,68 3.694,69 3.679,70 18.011,71 4.398}
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{0 CHEMBL1520214,1 2,3 9,4 3,6 0.197,7 0.53,8 0.042,9 23.211,10 164.795,11 0.277,12 0.277,13 0.321,14 0.3,16 2.927,17 164.795,18 2.777,19 164.795,20 164.795,21 164.795,22 1.127,23 164.795,24 0.375,25 0.525,26 0.942,27 1.796,28 7.192,29 2.77,31 0.181,32 0.233,33 20.21,34 0.95,35 197.015,36 0.189,37 8.133,38 0.95,39 8.352,40 2.947,41 6.234,42 3.481,43 0.966,44 1.127,45 0.874,46 4.602,47 6.446,48 1.166,49 0.294,50 3.458,51 2.8,52 4.645,53 0.081,54 2.992,55 0.881,56 1.213,57 3.465,58 7.805,59 1.246,60 0.617,61 18,62 11.467,63 1.856,64 3.724,65 3.702,66 0.888,67 2,68 3.689,69 3.646,70 34.796,71 4.502}
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{0 CHEMBL1562926,3 3,4 2,6 0.21,7 0.75,8 0.001,9 24.218,10 153.024,11 1.256,12 1.256,13 1.256,14 0.6,16 3.056,17 153.024,18 2.384,19 153.024,20 153.024,21 153.024,22 1.01,23 153.024,24 0.441,25 0.54,26 0.766,27 1.964,28 6.257,29 2.388,31 0.103,32 0.279,33 20.691,34 0.766,35 215.58,36 0.203,37 5.274,38 0.766,39 7.712,40 2.603,41 4.406,42 3.675,43 0.489,44 1.14,45 0.716,46 4.466,47 5.712,48 1.119,49 0.323,50 3.562,51 2.644,52 4.44,53 0.062,54 2.699,55 0.716,56 1.107,57 3.728,58 4.395,59 1.052,60 1.324,61 16,62 12.038,63 1.837,64 3.824,65 3.437,66 0.814,67 3,68 3.787,69 3.69,70 36.022,71 4.502}
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{0 CHEMBL1565051,3 5,7 0.77,8 0.18,9 10.604,10 82.398,11 0.069,12 0.069,13 0.069,14 0.4,16 2.485,17 82.398,18 2.266,19 82.398,20 82.398,21 82.398,22 0.762,23 82.398,24 0.508,25 0.757,26 0.986,27 1.23,28 3.929,29 2.287,33 11.457,34 0.986,35 58.856,36 0.277,37 2.72,38 0.986,39 4.213,40 2.497,41 2.791,42 3.231,43 0.212,44 0.997,45 0.906,46 4.011,47 2.814,48 0.813,49 0.435,50 3.136,51 1.457,52 4.123,53 0.151,54 2.577,55 0.906,56 0.76,57 3.165,58 3.282,59 0.732,60 0.469,61 12,62 8.9,63 1.419,64 3.565,65 2.937,66 0.382,67 2,68 3.535,69 3.284,70 60.572,71 4.177}
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{0 CHEMBL1566084,3 14,6 0.315,7 0.8,8 -0.092,9 19.69,10 176.567,11 0.304,12 0.208,13 0.494,14 0.6,16 2.73,17 176.567,18 2.718,19 176.567,20 176.567,21 176.567,22 0.987,23 176.567,24 -0.332,25 0.578,26 0.908,27 1.429,28 9.239,29 2.71,31 0.107,32 0.445,33 23.222,34 0.961,35 164.795,36 0.205,37 9.105,38 0.944,39 8.758,40 2.889,41 7.434,42 3.688,43 0.655,44 1.134,45 0.836,46 4.47,47 7.041,48 1.153,49 0.316,50 3.298,51 2.304,52 4.574,53 -0.085,54 2.948,55 0.869,56 1.048,57 3.783,58 9.614,59 1.041,60 1.353,61 20,62 10.038,63 1.653,64 3.781,65 3.558,66 0.798,67 2,68 3.815,69 3.422,70 16.405,71 4.398}
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{0 CHEMBL1611135,1 1,2 1,3 10,4 1,6 0.23,7 0.77,8 0.073,9 14.899,10 129.482,11 0.103,12 0.051,13 0.359,14 0.4,16 2.599,17 129.482,18 2.643,19 129.482,20 129.482,21 129.482,22 1.066,23 129.482,24 0.289,25 0.597,26 0.932,27 1.308,28 6.808,29 2.661,31 0.117,32 0.285,33 15.592,34 0.99,35 117.711,36 0.209,37 5.94,38 0.981,39 6.835,40 2.845,41 4.474,42 3.443,43 0.594,44 0.994,45 0.856,46 4.39,47 5.802,48 1.14,49 0.321,50 3.219,51 2.207,52 4.538,53 0.073,54 2.887,55 0.901,56 1.037,57 3.428,58 6.62,59 1.03,60 0.923,61 19,62 9.5,63 1.747,64 3.629,65 3.424,66 0.745,67 2,68 3.588,69 3.351,70 59.469,71 4.097}
{0 CHEMBL1611989,1 6,2 2,3 17,4 6,5 1,6 0.356,7 0.9,8 -0.23,9 27.719,10 200.109,11 0.625,12 0.625,13 0.842,14 0.8,16 2.936,17 235.422,18 2.758,19 235.422,20 235.422,21 235.422,22 1.159,23 235.422,24 -0.722,25 0.508,26 0.847,27 1.846,28 10.935,29 2.765,30 0.5,31 0.285,32 0.627,33 31.757,34 0.887,35 266.7,36 0.187,37 11.709,38 0.887,39 10.123,40 2.931,41 8.807,42 3.594,43 0.872,44 1.355,45 0.804,46 4.682,47 10.974,48 1.176,49 0.296,50 3.47,51 2.958,52 4.729,53 -0.06,54 2.955,55 0.842,56 1.135,57 3.594,58 10.201,59 1.108,60 1.182,61 19,62 11.462,63 1.801,64 3.717,65 3.534,66 0.88,67 2,68 3.698,69 3.604,71 4.097}
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{0 CHEMBL161229,1 2,3 7,4 2,7 0.91,8 0.012,9 13.86,10 82.398,11 0.947,12 0.947,13 1.092,14 0.9,16 0.918,17 82.398,18 0.962,19 82.398,20 82.398,21 82.398,22 0.275,23 82.398,24 1.936,25 2.09,26 0.743,27 0.444,28 1.686,29 0.893,30 1,33 12.987,34 0.777,35 82.398,36 0.622,37 0.417,38 0.777,39 2.553,40 1.456,42 2.694,44 1.546,45 0.743,46 3.773,48 0.371,49 0.838,50 2.064,51 0.922,52 3.991,53 0.039,54 1.67,55 0.777,56 0.129,57 2.657,58 0.671,59 0.032,60 1.382,61 6,62 3.667,63 1.215,64 3.054,67 1,68 3.02,69 1.903,70 128.05,71 1.818}
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{0 CHEMBL1613186,3 6,6 0.213,7 0.78,8 -0.024,9 16.37,10 188.338,11 0.378,12 0.378,13 0.564,14 0.6,16 2.738,17 188.338,18 2.679,19 188.338,20 188.338,21 188.338,22 1.125,23 188.338,24 -0.218,25 0.562,26 0.896,27 1.615,28 5.68,29 2.695,31 0.209,32 0.349,33 20.25,34 0.93,35 176.567,36 0.209,37 7.792,38 0.93,39 4.921,40 2.907,41 8.935,42 3.634,43 0.74,44 1.252,45 0.835,46 4.524,47 7.643,48 1.273,49 0.332,50 3.36,51 2.415,52 4.487,53 -0.028,54 3.003,55 0.867,56 1.152,57 3.62,58 4.201,59 1.145,60 1.164,61 17,62 10.5,63 1.818,64 3.818,65 3.518,66 0.776,67 3,68 3.764,69 3.563,70 17.888,71 4.45}
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{0 CHEMBL162077,1 2,3 8,4 2,7 0.91,8 0.067,9 17.257,10 94.169,11 0.261,12 0.174,13 0.555,14 0.9,16 1.79,17 94.169,18 1.284,19 94.169,20 94.169,21 94.169,22 0.446,23 94.169,24 2.763,25 1.844,26 0.877,27 0.777,28 2.668,29 1.294,30 1,33 17.21,34 0.962,35 94.169,36 0.568,37 1.53,38 0.942,39 3.324,40 1.867,41 0.084,42 2.811,43 0.081,44 1.513,45 0.877,46 3.952,47 0.431,48 0.465,49 0.79,50 2.287,51 1.106,52 4.213,53 0.091,54 2.012,55 0.942,56 0.403,57 2.786,58 1.569,59 0.363,60 1.337,61 6,62 4.545,63 1.311,64 3.14,65 0.135,67 1,68 3.101,69 2.255,70 170.733,71 4.319}
{0 CHEMBL1698464,3 14,6 0.218,7 0.71,8 -0.004,9 20.534,10 164.795,11 0.506,12 0.506,13 0.719,14 0.4,16 2.628,17 209.676,18 2.735,19 164.795,20 164.795,21 164.795,22 1.127,23 172.555,24 -0.316,25 0.588,26 0.869,27 1.418,28 10.693,29 2.715,31 0.218,32 0.33,33 26.698,34 0.908,35 164.795,36 0.204,37 7.476,38 0.908,39 9.751,40 2.882,41 10.921,42 3.849,43 0.827,44 0.851,45 0.802,46 4.559,47 9.652,48 1.181,49 0.313,50 3.238,51 2.492,52 4.656,53 -0.003,54 2.929,55 0.837,56 1.107,57 3.855,58 9.589,59 1.062,60 1.61,61 21,62 9.733,63 1.99,64 3.937,65 4.014,66 0.821,67 3,68 3.917,69 3.466,70 16.786,71 4.177}
{0 CHEMBL1698492,1 10,2 2,3 40,4 14,6 1.113,7 0.7,8 -0.157,9 53.52,10 470.844,11 1.776,12 1.653,13 2.133,14 0.9,16 3.459,17 565.013,18 3.221,19 565.013,20 565.013,21 565.013,22 1.618,23 565.013,24 0.023,25 0.354,26 0.678,27 2.5,28 19.359,29 3.251,30 1,31 0.844,32 1.128,33 62.155,34 0.75,35 565.013,36 0.136,37 28.384,38 0.732,39 19.68,40 3.48,41 33.811,42 3.829,43 1.136,44 1.387,45 0.655,46 5.379,47 30.598,48 1.847,49 0.222,50 4.111,51 6.028,52 5.452,53 -0.068,54 3.54,55 0.707,56 1.656,57 3.837,58 18.75,59 1.673,60 2.76,61 24,62 18.083,63 2.034,64 3.931,65 4.762,66 1.327,67 4,68 3.9,69 4.321,70 36.022,71 4.177}
{0 CHEMBL1699244,1 3,2 1,3 11,4 5,6 0.218,7 0.93,8 -0.164,9 29.256,10 141.253,11 0.79,12 0.79,13 0.79,14 1,16 3.063,17 223.651,18 2.735,19 223.651,20 223.651,21 223.651,22 1.057,23 223.651,24 -0.711,25 0.548,26 0.855,27 2,28 10.471,29 2.715,30 0.5,31 0.12,32 0.595,33 32.005,34 0.855,35 255.87,36 0.206,37 9.742,38 0.855,39 10.3,40 2.854,41 7.26,42 3.563,43 0.825,44 1.285,45 0.815,46 4.595,47 9.258,48 1.181,49 0.328,50 3.538,51 2.879,52 4.683,53 -0.025,54 2.925,55 0.815,56 1.107,57 3.59,58 9.579,59 1.062,60 0.881,61 17,62 12,63 1.8,64 3.685,65 3.435,66 0.821,67 3,68 3.674,69 3.677,71 4.097}
{0 CHEMBL1700182,1 7,2 3,3 18,4 9,5 1,6 0.63,7 1,8 -0.35,9 34.64,10 258.964,11 0.904,12 0.904,13 1.079,14 1,15 1,16 3.111,17 341.362,18 2.941,19 341.362,20 341.362,21 341.362,22 1.403,23 341.362,24 -0.742,25 0.515,26 0.815,27 2.214,28 11.464,29 2.91,30 1,31 0.602,32 0.825,33 39.782,34 0.845,35 341.362,36 0.196,37 18.754,38 0.845,39 11.398,40 3.111,41 12.376,42 3.587,43 0.937,44 1.678,45 0.789,46 4.929,47 19.166,48 1.513,49 0.315,50 3.634,51 3.792,52 5.005,53 -0.154,54 3.206,55 0.818,56 1.429,57 3.574,58 11.035,59 1.376,60 1.483,61 18,62 13,63 1.934,64 3.829,65 3.661,66 1.064,67 3,68 3.769,69 3.809,71 4.177}
{0 CHEMBL1700323,1 5,2 1,3 18,4 7,6 0.467,7 1,8 -0.186,9 25.903,10 270.735,11 0.861,12 0.861,13 0.861,14 1,16 2.924,17 270.735,18 2.735,19 270.735,20 270.735,21 270.735,22 1.181,23 270.735,24 -0.807,25 0.577,26 0.843,27 1.773,28 9.802,29 2.715,30 1,31 0.218,32 0.579,33 26.819,34 0.843,35 270.735,36 0.215,37 12.193,38 0.843,39 9.456,40 2.854,41 7.767,42 3.538,43 0.91,44 1.407,45 0.812,46 4.67,47 10.443,48 1.275,49 0.34,50 3.363,51 2.793,52 4.719,53 -0.097,54 2.925,55 0.812,56 1.107,57 3.526,58 9.459,59 1.062,60 1.073,61 17,62 10.591,63 1.816,64 3.768,65 3.258,66 0.821,67 3,68 3.724,69 3.505,71 4.177}
{0 CHEMBL1700590,1 4,2 2,3 16,4 4,5 1,6 0.244,7 0.9,8 -0.154,9 24.278,10 203.298,11 0.667,12 0.667,13 0.857,14 0.8,16 2.973,17 203.298,18 2.735,19 188.338,20 188.338,21 188.338,22 1.139,23 188.338,24 -0.317,25 0.485,26 0.841,27 1.862,28 9.3,29 2.715,30 0.5,31 0.218,32 0.36,33 25.157,34 0.876,35 188.338,36 0.181,37 10.826,38 0.876,39 8.713,40 2.854,41 6.769,42 3.576,43 0.825,44 1.163,45 0.788,46 4.565,47 8.001,48 1.181,49 0.288,50 3.482,51 2.53,52 4.684,53 -0.041,54 2.925,55 0.821,56 1.107,57 3.564,58 8.741,59 1.062,60 1.429,61 21,62 11.44,63 1.882,64 3.787,65 3.425,66 0.821,67 3,68 3.735,69 3.614,70 16.786,71 4.097}
{0 CHEMBL1700786,1 1,2 1,3 15,4 1,6 0.218,7 0.8,8 -0.148,9 25.155,10 200.109,11 0.595,12 0.595,13 0.656,14 0.6,16 3.12,17 230.029,18 2.735,19 200.109,20 200.109,21 200.109,22 1.181,23 210.281,24 -0.236,25 0.597,26 0.881,27 2.118,28 9.28,29 2.715,31 0.218,32 0.278,33 27.086,34 0.892,35 176.567,36 0.23,37 8.053,38 0.892,39 9.376,40 2.854,41 9.317,42 3.732,43 0.691,44 1.153,45 0.833,46 4.571,47 7.586,48 1.181,49 0.374,50 3.646,51 2.29,52 4.595,53 -0.129,54 2.925,55 0.843,56 1.107,57 3.789,58 8.825,59 1.062,60 1.112,61 12,62 13.037,63 1.762,64 3.854,65 3.598,66 0.821,67 2,68 3.845,69 3.84,70 18.011,71 4.177}
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{0 CHEMBL1702431,1 2,2 1,3 19,4 2,6 0.355,7 0.87,8 -0.127,9 19.999,10 223.651,11 0.542,12 0.447,13 0.836,14 0.6,15 1,16 2.893,17 223.651,18 2.735,19 223.651,20 223.651,21 223.651,22 1.181,23 223.651,24 -0.858,25 0.524,26 0.845,27 1.664,28 8.801,29 2.715,30 0.5,31 0.218,32 0.5,33 22.566,34 0.917,35 223.651,36 0.199,37 8.269,38 0.9,39 8.244,40 2.854,41 8.258,42 3.469,43 0.704,44 1.18,45 0.794,46 4.475,47 8.136,48 1.279,49 0.321,50 3.438,51 2.385,52 4.538,53 -0.052,54 2.925,55 0.845,56 1.107,57 3.445,58 7.978,59 1.062,60 1.718,61 16,62 10.913,63 1.76,64 3.693,65 3.392,66 0.821,67 2,68 3.654,69 3.574,71 4.097}
{0 CHEMBL1702614,3 24,6 0.578,7 0.52,8 -0.35,9 18.848,10 306.049,11 1.57,12 1.016,13 2.185,14 0.8,16 1.91,17 306.049,18 2.996,19 306.049,20 306.049,21 306.049,22 1.589,23 306.049,24 -0.586,25 2.116,26 0.637,27 0.852,28 15.121,29 3.035,30 1,31 0.576,32 0.581,33 36.468,34 0.831,35 306.049,36 0.631,37 24.157,38 0.739,39 11.788,40 3.344,41 22.992,42 3.459,43 0.591,44 1.659,45 0.616,46 4.951,47 25.33,48 1.59,49 0.896,50 2.758,51 3.069,52 4.915,53 -0.318,54 3.376,55 0.715,56 1.575,57 3.421,58 18.171,59 1.584,60 2.678,61 7,62 7.641,63 1.612,64 3.618,65 4.491,66 1.17,67 1,68 3.627,69 2.915,71 4.177}
{0 CHEMBL1703007,1 9,2 3,3 27,4 9,6 0.825,7 0.98,8 -0.287,9 46.989,10 353.133,11 0.891,12 0.891,13 0.891,14 1,16 3.026,17 388.446,18 2.997,19 388.446,20 388.446,21 388.446,22 1.513,23 388.446,24 -0.345,25 0.495,26 0.854,27 1.753,28 17.037,29 2.997,30 1,31 0.744,32 0.825,33 51.956,34 0.854,35 388.446,36 0.179,37 19.278,38 0.854,39 15.571,40 3.175,41 17.031,42 3.684,43 1.093,44 1.571,45 0.821,46 5.096,47 17.804,48 1.513,49 0.28,50 3.583,51 4.304,52 5.164,53 -0.128,54 3.239,55 0.821,56 1.429,57 3.702,58 15.562,59 1.376,60 1.543,61 24,62 12.543,63 1.929,64 3.914,65 4.288,66 1.09,67 4,68 3.863,69 3.783,70 18.011,71 4.097}
{0 CHEMBL1703076,3 9,6 0.063,7 0.77,8 0.206,9 12.616,10 117.711,11 0.057,12 0.057,13 0.25,14 0.4,16 2.736,17 117.711,18 2.451,19 117.711,20 117.711,21 117.711,22 0.863,23 117.711,24 0.364,25 0.544,26 0.951,27 1.505,28 5.171,29 2.501,32 0.147,33 15.199,34 0.989,35 105.94,36 0.206,37 4.145,38 0.989,39 5.383,40 2.705,41 3.875,42 3.386,43 0.366,44 0.911,45 0.871,46 4.22,47 3.836,48 0.994,49 0.33,50 3.359,51 1.883,52 4.348,53 0.151,54 2.753,55 0.906,56 0.908,57 3.379,58 4.263,59 0.908,60 1.065,61 16,62 10.391,63 1.636,64 3.62,65 3.161,66 0.573,67 2,68 3.569,69 3.508,70 60.572,71 4.177}
{0 CHEMBL1703925,1 4,2 2,3 14,4 4,5 1,6 0.61,7 0.9,8 -0.164,9 28.71,10 306.049,11 0.723,12 0.723,13 1.135,14 0.8,16 2.883,17 306.049,18 2.941,19 306.049,20 306.049,21 306.049,22 1.513,23 306.049,24 -0.419,25 0.495,26 0.803,27 1.816,28 13.141,29 2.91,30 0.5,31 0.589,32 0.632,33 35.114,34 0.874,35 306.049,36 0.183,37 18.125,38 0.874,39 10.708,40 3.111,41 10.278,42 3.604,43 0.955,44 1.357,45 0.764,46 4.835,47 14.659,48 1.53,49 0.29,50 3.43,51 3.375,52 4.857,53 -0.037,54 3.206,55 0.833,56 1.429,57 3.59,58 13.898,59 1.376,60 1.765,61 21,62 11.037,63 1.903,64 3.821,65 3.692,66 1.064,67 3,68 3.765,69 3.609,70 16.786,71 4.097}
{0 CHEMBL1704801,1 5,2 2,3 21,4 5,6 0.27,7 0.9,8 -0.198,9 31.818,10 247.193,11 0.844,12 0.844,13 0.906,14 0.8,15 1,16 3.074,17 247.193,18 2.735,19 247.193,20 247.193,21 247.193,22 1.181,23 247.193,24 -0.823,25 0.484,26 0.835,27 2.125,28 11.119,29 2.715,30 0.5,31 0.218,32 0.595,33 35.121,34 0.846,35 247.193,36 0.187,37 11.059,38 0.846,39 10.258,40 2.854,41 9.968,42 3.627,43 0.825,44 1.314,45 0.793,46 4.596,47 10.694,48 1.181,49 0.305,50 3.575,51 2.697,52 4.69,53 -0.051,54 2.925,55 0.804,56 1.107,57 3.616,58 9.319,59 1.062,60 1.584,61 18,62 12.208,63 1.932,64 3.839,65 3.556,66 0.821,67 3,68 3.786,69 3.734,71 4.097}
{0 CHEMBL1705093,1 1,3 4,4 1,6 0.103,7 0.55,8 -0.054,9 11.332,10 70.627,11 0.291,12 0.291,13 0.399,14 0.3,16 2.417,17 105.94,18 2.522,19 105.94,20 105.94,21 105.94,22 0.989,23 105.94,24 -0.089,25 0.79,26 0.923,27 1.169,28 6.816,29 2.633,32 0.183,33 16.155,34 0.944,35 114.617,36 0.265,37 4.567,38 0.944,39 6.055,40 2.842,41 3.802,42 3.331,43 0.413,44 1.222,45 0.844,46 4.353,47 4.976,48 1.01,49 0.396,50 3.013,51 2.125,52 4.371,53 0.066,54 2.881,55 0.863,56 1.056,57 3.307,58 5.27,59 1.072,60 0.507,61 15,62 8.111,63 1.779,64 3.661,65 3.38,66 0.723,67 2,68 3.644,69 3.2,70 16.786,71 4.177}
{0 CHEMBL1706492,1 1,3 11,4 1,6 0.115,7 0.8,8 -0.023,9 16.369,10 129.482,11 0.399,12 0.399,13 0.561,14 0.6,16 2.368,17 164.795,18 2.598,19 164.795,20 164.795,21 164.795,22 1.016,23 164.795,24 -0.354,25 0.83,26 0.892,27 1.05,28 6.254,29 2.628,31 0.094,32 0.218,33 15.758,34 0.923,35 164.795,36 0.276,37 7.973,38 0.923,39 6.78,40 2.779,41 8.067,42 3.414,43 0.645,44 1.034,45 0.83,46 4.31,47 8.15,48 1.06,49 0.411,50 2.942,51 2.296,52 4.405,53 0.022,54 2.823,55 0.859,56 0.971,57 3.401,58 6.371,59 0.944,60 1.224,61 16,62 7.727,63 1.804,64 3.609,65 3.388,66 0.7,67 2,68 3.579,69 3.049,70 42.683,71 4.177}
{0 CHEMBL1706704,1 5,2 2,3 16,4 5,5 1,6 0.247,7 0.9,8 -0.232,9 31.702,10 200.109,11 0.732,12 0.732,13 0.927,14 0.8,15 1,16 2.959,17 200.109,18 2.735,19 200.109,20 200.109,21 200.109,22 1.089,23 200.109,24 -0.699,25 0.509,26 0.827,27 1.99,28 9.87,29 2.715,30 0.5,31 0.218,32 0.414,33 29.491,34 0.863,35 220.557,36 0.195,37 9.025,38 0.863,39 9.657,40 2.854,41 7.825,42 3.609,43 0.792,44 1.327,45 0.783,46 4.511,47 8.278,48 1.181,49 0.315,50 3.507,51 2.39,52 4.591,53 -0.041,54 2.862,55 0.818,56 1.107,57 3.596,58 10.421,59 1.062,60 1.305,61 17,62 11.625,63 1.664,64 3.823,65 3.436,66 0.821,67 3,68 3.782,69 3.677,71 4.097}
{0 CHEMBL1707040,2 2,3 10,7 0.75,8 -0.154,9 8.39,10 117.711,11 1.297,12 1.297,13 1.297,14 0.4,16 1.97,17 117.711,18 2.353,19 117.711,20 117.711,21 117.711,22 0.747,23 117.711,24 -0.538,25 1.121,26 0.741,27 0.975,28 5.418,29 2.42,32 0.209,33 14.681,34 0.741,35 117.711,36 0.362,37 5.005,38 0.741,39 4.539,40 2.65,41 2.18,42 3.252,43 0.469,44 1.432,45 0.682,46 4.234,47 1.091,48 0.985,49 0.531,50 2.738,51 1.653,52 4.269,53 -0.037,54 2.698,55 0.682,56 0.778,57 3.197,58 4.774,59 0.755,60 1.297,61 11,62 6.636,63 1.645,64 3.662,65 2.584,66 0.406,67 2,68 3.644,69 2.899,71 4.177}
{0 CHEMBL1708006,1 5,2 2,3 16,4 5,6 0.469,7 1,8 -0.256,9 26.046,10 270.735,11 1.112,12 1.112,13 1.112,14 1,15 1,16 2.892,17 306.049,18 2.675,19 306.049,20 306.049,21 306.049,22 1.181,23 306.049,24 -0.844,25 0.646,26 0.8,27 1.678,28 10.807,29 2.69,30 1,31 0.333,32 0.591,33 27.835,34 0.8,35 306.049,36 0.247,37 9.366,38 0.8,39 9.582,40 2.874,41 9.182,42 3.466,43 0.929,44 1.544,45 0.776,46 4.697,47 7.682,48 1.417,49 0.399,50 3.402,51 3.175,52 4.73,53 -0.1,54 2.977,55 0.776,56 1.144,57 3.475,58 9.292,59 1.131,60 1.739,61 12,62 10.762,63 1.837,64 3.653,65 3.451,66 0.804,67 2,68 3.599,69 3.544,71 4.097}
{0 CHEMBL1708074,3 12,6 0.339,7 0.73,8 -0.029,9 15.655,10 141.253,11 1.376,12 1.078,13 1.584,14 0.7,16 2.365,17 141.253,18 2.717,19 141.253,20 141.253,21 141.253,22 0.845,23 141.253,24 -0.528,25 0.971,26 0.706,27 1.06,28 13.219,29 2.677,30 0.5,31 0.175,32 0.541,33 20.351,34 0.8,35 298.275,36 0.306,37 8.494,38 0.745,39 10.519,40 2.892,41 9.613,42 3.417,43 0.581,44 0.935,45 0.668,46 4.459,47 7.238,48 1.177,49 0.444,50 2.921,51 2.028,52 4.384,53 0.096,54 2.917,55 0.705,56 1.086,57 3.453,58 12.566,59 1.104,60 1.804,61 14,62 7.9,63 1.597,64 3.505,65 3.855,66 0.949,67 1,68 3.533,69 3.075,71 4.177}
{0 CHEMBL1710429,3 7,7 0.8,8 0.06,9 11.765,10 117.711,11 0.164,12 0.164,13 0.302,14 0.6,16 2.135,17 117.711,18 1.936,19 117.711,20 117.711,21 117.711,22 0.789,23 117.711,24 -0.334,25 0.959,26 0.938,27 0.926,28 5.588,29 1.926,32 0.175,33 12.711,34 0.966,35 117.711,36 0.308,37 7.151,38 0.966,39 5.177,40 2.228,41 2.527,42 3.343,43 0.409,44 0.93,45 0.856,46 4.083,47 5.131,48 0.949,49 0.449,50 2.711,51 1.715,52 4.181,53 0.065,54 2.347,55 0.882,56 0.792,57 3.348,58 5.1,59 0.767,60 0.811,61 15,62 6.333,63 1.745,64 3.522,65 1.917,66 0.404,67 2,68 3.465,69 2.773,70 16.786,71 4.177}
{0 CHEMBL1710708,1 1,3 5,4 10,6 0.898,7 0.83,8 0.104,9 64.746,10 470.844,11 0.707,12 0.707,13 1.167,14 0.9,16 2.713,17 517.928,18 3.009,19 517.928,20 517.928,21 517.928,22 1.564,23 517.928,24 0.06,25 0.579,26 0.815,27 1.623,28 36.506,29 2.993,30 1,31 0.783,32 0.94,33 93.393,34 0.888,35 517.928,36 0.192,37 45.774,38 0.888,39 27.795,40 3.196,41 32.259,42 3.698,43 1.162,44 1.215,45 0.8,46 5.332,47 37.605,48 1.63,49 0.286,50 3.234,51 5.368,52 5.616,53 0.104,54 3.276,55 0.872,56 1.485,57 3.704,58 37.541,59 1.441,60 2.058,61 23,62 9.971,63 1.974,64 3.84,65 4.565,66 1.118,67 1,68 3.802,69 3.397,70 85.367,71 4.177}
{0 CHEMBL1712082,3 3,4 7,6 0.729,7 0.85,8 0.123,9 50.65,10 423.76,11 0.655,12 0.599,13 0.986,14 0.9,16 2.772,17 423.76,18 2.978,19 423.76,20 423.76,21 423.76,22 1.476,23 423.76,24 0.072,25 0.637,26 0.84,27 1.642,28 31.177,29 2.958,30 1,31 0.677,32 0.902,33 75.42,34 0.903,35 423.76,36 0.211,37 40.966,38 0.893,39 22.821,40 3.144,41 24.251,42 3.666,43 1.099,44 1.088,45 0.814,46 5.148,47 33.918,48 1.516,49 0.316,50 3.26,51 4.649,52 5.406,53 0.118,54 3.225,55 0.867,56 1.422,57 3.667,58 33.292,59 1.389,60 1.89,61 22,62 9.939,63 1.916,64 3.795,65 4.332,66 1.088,67 1,68 3.766,69 3.403,70 85.367,71 4.177}
{0 CHEMBL1713087,1 4,2 2,3 15,4 4,5 1,6 0.313,7 0.9,8 -0.17,9 22.106,10 211.88,11 0.697,12 0.697,13 0.867,14 0.8,16 2.905,17 256.76,18 2.735,19 211.88,20 211.88,21 211.88,22 1.181,23 219.639,24 -0.683,25 0.454,26 0.844,27 2.138,28 8.829,29 2.715,30 0.5,31 0.218,32 0.429,33 26.471,34 0.875,35 176.567,36 0.171,37 12.787,38 0.875,39 8.271,40 2.854,41 5.112,42 3.633,43 0.825,44 1.122,45 0.795,46 4.717,47 10.134,48 1.21,49 0.274,50 3.512,51 2.76,52 4.747,53 -0.12,54 2.925,55 0.824,56 1.251,57 3.612,58 10.068,59 1.288,60 1.328,61 23,62 12,63 1.851,64 3.835,65 3.313,66 0.908,67 4,68 3.786,69 3.755,71 4.097}
{0 CHEMBL1713323,1 1,2 1,3 9,4 6,6 0.367,7 1,8 -0.208,9 19.98,10 270.735,11 0.902,12 0.902,13 0.902,14 1,16 2.473,17 270.735,18 2.302,19 270.735,20 270.735,21 270.735,22 1.017,23 270.735,24 -0.846,25 1.136,26 0.828,27 1.378,28 7.134,29 2.296,30 1,31 0.199,32 0.469,33 20.753,34 0.828,35 270.735,36 0.407,37 8.759,38 0.828,39 7.601,40 2.59,41 5.614,42 3.323,43 0.826,44 1.619,45 0.817,46 4.514,47 6.884,48 1.186,49 0.626,50 2.929,51 2.646,52 4.504,53 -0.093,54 2.678,55 0.817,56 0.938,57 3.324,58 6.405,59 0.897,60 1.257,61 5,62 7.667,63 1.799,64 3.627,65 2.866,66 0.468,67 1,68 3.54,69 3.061,71 4.177}
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{0 CHEMBL1716008,3 9,4 2,6 0.102,7 0.87,8 0.076,9 19.951,10 153.024,11 0.465,12 0.465,13 0.632,14 0.6,16 2.761,17 153.024,18 2.567,19 153.024,20 153.024,21 153.024,22 0.876,23 153.024,24 0.331,25 0.694,26 0.878,27 1.578,28 8.513,29 2.538,30 0.5,32 0.218,33 28.539,34 0.91,35 153.024,36 0.261,37 8.161,38 0.91,39 7.764,40 2.725,41 4.802,42 3.311,43 0.579,44 0.974,45 0.831,46 4.263,47 6.499,48 1.088,49 0.416,50 3.313,51 1.962,52 4.369,53 0.063,54 2.764,55 0.862,56 0.916,57 3.316,58 7.617,59 0.897,60 1.063,61 12,62 10.143,63 1.623,64 3.496,65 3.129,66 0.626,67 2,68 3.474,69 3.454,70 85.367,71 4.177}
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{0 CHEMBL1717529,3 10,6 0.114,7 0.8,8 0.116,9 15.489,10 153.024,11 0.132,12 0.132,13 0.41,14 0.6,16 2.661,17 153.024,18 2.607,19 153.024,20 153.024,21 153.024,22 0.991,23 153.024,24 0.284,25 0.591,26 0.921,27 1.406,28 5.511,29 2.588,31 0.06,32 0.192,33 16.127,34 0.974,35 153.024,36 0.22,37 6.56,38 0.974,39 5.721,40 2.758,41 5.464,42 3.394,43 0.655,44 0.961,45 0.855,46 4.27,47 5.983,48 1.091,49 0.347,50 3.237,51 2.028,52 4.348,53 0.083,54 2.827,55 0.904,56 0.992,57 3.387,58 5.48,59 0.967,60 1.333,61 16,62 9.476,63 1.69,64 3.601,65 3.264,66 0.694,67 2,68 3.537,69 3.361,70 60.572,71 4.177}
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{0 CHEMBL1718,1 2,2 1,3 11,4 6,6 0.39,7 0.93,8 -0.002,9 31.819,10 153.024,11 0.311,12 0.311,13 0.311,14 1,16 2.434,17 223.651,18 2.637,19 223.651,20 223.651,21 223.651,22 1.11,23 223.651,24 0.255,25 0.863,26 0.943,27 1.208,28 15.191,29 2.647,30 0.5,31 0.197,32 0.589,33 41.301,34 0.943,35 223.651,36 0.263,37 16.526,38 0.943,39 12.358,40 2.862,41 7.05,42 3.497,43 0.941,44 1.17,45 0.9,46 4.709,47 11.833,48 1.207,49 0.375,50 2.748,51 2.846,52 4.987,53 0.075,54 2.926,55 0.9,56 1.059,57 3.495,58 15.274,59 1.044,60 0.533,61 15,62 7.25,63 1.839,64 3.696,65 2.9,66 0.681,67 1,68 3.651,69 2.856,70 85.367,71 4.502}
{0 CHEMBL1718625,1 4,2 2,3 18,4 4,5 1,6 0.589,7 0.9,8 -0.211,9 27.068,10 282.506,11 0.659,12 0.659,13 0.928,14 0.8,16 2.967,17 282.506,18 2.92,19 282.506,20 282.506,21 282.506,22 1.513,23 282.506,24 -0.382,25 0.482,26 0.837,27 1.94,28 11.771,29 2.91,30 0.5,31 0.575,32 0.629,33 32.034,34 0.884,35 282.506,36 0.18,37 16.089,38 0.884,39 10.034,40 3.111,41 10.359,42 3.587,43 0.825,44 1.403,45 0.795,46 4.791,47 14.345,48 1.529,49 0.285,50 3.502,51 3.125,52 4.813,53 -0.077,54 3.206,55 0.84,56 1.429,57 3.573,58 12.069,59 1.376,60 1.421,61 21,62 11.63,63 1.923,64 3.808,65 3.613,66 1.064,67 3,68 3.751,69 3.665,70 16.786,71 4.097}
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{0 CHEMBL1721159,2 1,3 4,7 0.75,8 0.083,9 5.677,10 82.398,11 1.065,12 1.065,13 1.065,14 0.4,16 1.734,17 82.398,18 2.265,19 82.398,20 82.398,21 82.398,22 0.311,23 82.398,24 -0.541,25 1.117,26 0.776,27 0.81,28 4.302,29 2.311,33 7.985,34 0.776,35 82.398,36 0.362,37 1.775,38 0.776,39 3.748,40 2.53,41 1.05,42 3.252,43 0.209,44 1.134,45 0.703,46 4.013,47 1.265,48 0.747,49 0.531,50 2.655,51 1.453,52 4.113,53 0.091,54 2.59,55 0.703,56 0.429,57 3.132,58 4.037,59 0.525,60 1.065,61 11,62 6.1,63 1.553,64 3.662,65 1.867,66 0.06,67 2,68 3.644,69 2.784,71 4.177}
{0 CHEMBL1721573,1 4,2 2,3 15,4 4,6 0.218,7 0.9,8 -0.284,9 20.894,10 215.069,11 0.85,12 0.85,13 1.05,14 0.8,15 1,16 2.947,17 215.069,18 2.586,19 200.109,20 200.109,21 200.109,22 0.921,23 200.109,24 -0.729,25 0.514,26 0.803,27 1.936,28 6.962,29 2.605,30 0.5,32 0.356,33 21.958,34 0.84,35 176.567,36 0.197,37 8.618,38 0.84,39 7.167,40 2.789,41 7.001,42 3.555,43 0.769,44 1.328,45 0.757,46 4.503,47 7.34,48 1.163,49 0.317,50 3.49,51 2.366,52 4.567,53 -0.145,54 2.84,55 0.792,56 0.936,57 3.539,58 6.661,59 0.957,60 1.39,61 18,62 11.478,63 1.808,64 3.772,65 3.314,66 0.66,67 3,68 3.716,69 3.637,71 4.097}
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{0 CHEMBL1722738,3 6,4 2,6 0.695,7 0.57,8 0.098,9 45.551,10 188.338,11 1.378,12 1.378,13 1.425,14 0.8,16 3.354,17 353.133,18 3.187,19 353.133,20 353.133,21 353.133,22 1.653,23 353.133,24 1.306,25 0.405,26 0.778,27 2.396,28 25.396,29 3.195,30 0.5,31 0.687,32 0.905,33 58.749,34 0.786,35 353.133,36 0.146,37 32.34,38 0.786,39 20.459,40 3.352,41 26.487,42 3.805,43 1.035,44 1.014,45 0.742,46 5.248,47 22.873,48 1.654,49 0.229,50 3.905,51 5.193,52 5.508,53 0.101,54 3.402,55 0.749,56 1.594,57 3.8,58 26.684,59 1.561,60 1.657,61 28,62 16.154,63 1.978,64 3.905,65 4.618,66 1.272,67 2,68 3.887,69 4.108,70 170.733,71 4.177}
{0 CHEMBL1722821,3 11,6 0.139,7 0.77,8 0.001,9 17.542,10 129.482,11 0.375,12 0.375,13 0.375,14 0.4,16 2.704,17 129.482,18 2.5,19 129.482,20 129.482,21 129.482,22 0.949,23 129.482,24 -0.31,25 0.67,26 0.926,27 1.455,28 6.543,29 2.49,31 0.06,32 0.218,33 14.689,34 0.926,35 129.482,36 0.24,37 5.529,38 0.926,39 6.565,40 2.621,41 4.366,42 3.43,43 0.57,44 0.989,45 0.858,46 4.221,47 3.585,48 1.071,49 0.371,50 3.198,51 1.869,52 4.303,53 0.008,54 2.658,55 0.858,56 0.959,57 3.435,58 6.589,59 0.935,60 0.835,61 15,62 9.364,63 1.634,64 3.535,65 3.21,66 0.725,67 2,68 3.523,69 3.329,70 18.011,71 4.145}
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{0 CHEMBL1968402,3 9,6 0.178,7 0.87,8 0.098,9 18.356,10 176.567,11 0.473,12 0.473,13 0.635,14 0.6,16 2.709,17 176.567,18 2.602,19 176.567,20 176.567,21 176.567,22 1.034,23 176.567,24 0.311,25 0.665,26 0.878,27 1.495,28 6.773,29 2.576,30 0.5,31 0.088,32 0.218,33 18.745,34 0.909,35 176.567,36 0.252,37 7.665,38 0.909,39 6.509,40 2.746,41 5.592,42 3.363,43 0.618,44 0.975,45 0.828,46 4.3,47 6.193,48 1.114,49 0.404,50 3.265,51 2.058,52 4.315,53 0.032,54 2.821,55 0.857,56 0.992,57 3.402,58 6.676,59 0.95,60 1.461,61 12,62 9.55,63 1.681,64 3.6,65 3.221,66 0.705,67 2,68 3.533,69 3.413,70 35.899,71 4.398}
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{0 CHEMBL1977763,2 1,3 11,6 0.138,7 0.8,8 0.128,9 13.046,10 141.253,11 0.447,12 0.447,13 0.614,14 0.6,16 2.504,17 141.253,18 2.396,19 141.253,20 141.253,21 141.253,22 0.864,23 141.253,24 -0.222,25 0.764,26 0.878,27 1.24,28 4.961,29 2.455,32 0.158,33 15.495,34 0.911,35 129.482,36 0.279,37 5.439,38 0.911,39 4.82,40 2.738,41 5.368,42 3.261,43 0.343,44 1.044,45 0.816,46 4.174,47 5.477,48 1.06,49 0.436,50 3.156,51 1.725,52 4.245,53 0.071,54 2.761,55 0.847,56 0.925,57 3.21,58 4.641,59 0.964,60 1.22,61 12,62 8.8,63 1.632,64 3.586,65 3.134,66 0.536,67 2,68 3.55,69 3.276,70 42.683,71 4.398}
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{0 CHEMBL1979954,3 1,7 0.77,8 -0.06,9 8.038,10 35.313,11 0.294,12 0.294,13 0.294,14 0.4,16 2.419,17 80.194,18 1.683,19 35.313,20 35.313,21 35.313,23 43.073,24 1.482,25 1.096,26 0.935,27 1.474,28 3.636,29 1.597,33 9.765,34 0.935,35 11.771,36 0.397,37 1.724,38 0.935,39 3.74,40 1.886,41 1.624,42 3.143,44 0.913,45 0.88,46 3.882,47 1.728,48 0.326,49 0.616,50 2.957,51 1.022,52 3.818,53 0.072,54 1.957,55 0.88,56 0.14,57 3.14,58 2.799,60 0.294,61 6,62 7.941,63 1.28,64 3.382,65 2.246,67 1,68 3.336,69 3.154,70 50.785,71 4.502}
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