@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1697661

@attribute molecule_id {CHEMBL129157,CHEMBL1689603,CHEMBL1689604,CHEMBL1689605,CHEMBL1689606,CHEMBL1689607,CHEMBL1689608,CHEMBL1689609,CHEMBL1689610,CHEMBL1689611,CHEMBL374508}
@attribute ATSC2s numeric
@attribute Eta_epsi_A numeric
@attribute GATS2i numeric
@attribute GATS2s numeric
@attribute GATS4i numeric
@attribute GATS4p numeric
@attribute GATS4v numeric
@attribute GATS6v numeric
@attribute GATS7s numeric
@attribute H.047 numeric
@attribute IAC numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute JGI1 numeric
@attribute MATS2s numeric
@attribute MATS3i numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4v numeric
@attribute MATS5i numeric
@attribute MATS6v numeric
@attribute P_VSA_MR_5 numeric
@attribute S1K numeric
@attribute TIC0 numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ATS2s numeric
@attribute ATS3s numeric
@attribute ATS6s numeric
@attribute Chi0_EA.dm. numeric
@attribute DELS numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig06_AEA.dm. numeric
@attribute GATS2e numeric
@attribute GATS5e numeric
@attribute GATS5s numeric
@attribute MATS5e numeric
@attribute MATS7e numeric
@attribute MATS7s numeric
@attribute MAXDN numeric
@attribute Psi_i_s numeric
@attribute SdO numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SsssCH numeric
@attribute ZM1Kup numeric
@attribute Eta_alpha_A numeric
@attribute GATS5m numeric
@attribute JGI4 numeric
@attribute piPC06 numeric
@attribute P_VSA_LogP_5 numeric
@attribute Eta_F_A numeric
@attribute P_VSA_MR_7 numeric
@attribute SpMax1_Bh.m. numeric
@attribute AMW numeric
@attribute C.024 numeric
@attribute Eig04_EA numeric
@attribute Eta_FL_A numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute GATS1e numeric
@attribute GATS1m numeric
@attribute GATS2m numeric
@attribute GATS8e numeric
@attribute JGT numeric
@attribute MATS1m numeric
@attribute NaaCH numeric
@attribute nCbH numeric
@attribute P_VSA_LogP_3 numeric
@attribute P_VSA_MR_6 numeric
@attribute SaaaC numeric
@attribute SM12_AEA.bo. numeric
@attribute SPI numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.m. numeric
@attribute TIE numeric
@attribute X. numeric
@attribute X2A numeric
@attribute piPC08 numeric
@attribute SpMin2_Bh.m. numeric
@attribute C.026 numeric
@attribute Cl.089 numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute GATS3m numeric
@attribute GATS4m numeric
@attribute GATS7m numeric
@attribute nArX numeric
@attribute nCL numeric
@attribute nHM numeric
@attribute NsCl numeric
@attribute nX numeric
@attribute P_VSA_e_4 numeric
@attribute P_VSA_LogP_8 numeric
@attribute P_VSA_m_4 numeric
@attribute SpMin1_Bh.v. numeric
@attribute SsCl numeric
@attribute X2Av numeric
@attribute ATS4m numeric
@attribute ATSC6e numeric
@attribute ATSC6s numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig09_AEA.ed. numeric
@attribute HVcpx numeric
@attribute MATS5s numeric
@attribute SaaCH numeric
@attribute SM03_AEA.ri. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax4_Bh.m. numeric
@attribute Uindex numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.008 numeric
@attribute C.025 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.037 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_DP numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PP numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DN numeric
@attribute CATS2D_07_DP numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PN numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DN numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr09 numeric
@attribute DECC numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute pXC50 numeric

@data
{1 87.531,2 0.57,3 1.385,4 0.423,5 0.996,6 0.894,7 0.84,8 1.01,9 1.341,10 5,11 108.509,12 4.681,13 4.807,14 0.3,15 0.196,16 0.013,17 -0.021,18 0.107,19 0.087,20 0.144,21 -0.054,22 -0.039,23 192.982,24 29.143,25 108.509,26 451.169,27 563.77,28 410,29 5.965,30 6.226,31 6.553,32 19.185,33 55.048,34 3.471,35 3.135,36 2.815,37 2.393,38 0.445,39 1.101,40 1.048,41 0.098,42 -0.141,43 -0.152,44 2.858,45 85,46 48.548,47 7.423,48 6.351,49 5.323,50 4.659,51 -2.66,52 478.36,53 0.454,54 1.017,55 0.048,56 4.127,57 16.786,58 0.815,60 3.82,61 6.415,63 2.228,64 0.161,65 0.301,66 0.353,67 0.843,68 1.015,69 0.85,70 0.722,71 0.569,72 -0.033,76 16.923,78 2.228,79 25.787,80 4.326,81 1.822,82 2.027,83 366.468,85 0.347,86 4.344,87 1.999,90 1.087,91 0.035,92 1.109,93 0.882,94 1.101,103 2.014,105 0.216,106 4.113,107 1.33,108 214.203,109 3.51,110 3.807,111 3.497,112 0.158,114 3.51,115 7.427,116 3.488,117 191.248,118 1.573,119 11.903,120 0.453,121 0.206,122 115.24,124 4.268,125 4.425,126 3.628,127 3.632,128 5.391,129 3.601,130 4.823,131 5.047,132 3.955,133 3.997,134 3.918,135 5.151,136 5.401,137 4.016,138 4.177,139 4.074,140 5.283,141 5.56,142 4.226,143 6.315,144 4.139,145 5.263,146 5.498,147 4.261,148 4.243,149 6.635,150 4.19,151 5.342,152 5.584,153 4.167,154 4.289,155 4.21,156 5.329,157 5.574,158 4.145,159 4.327,160 6.448,161 4.227,162 5.392,163 5.66,164 4.213,165 4.341,166 6.671,167 4.224,168 0.118,169 0.91,170 16.701,171 5.629,172 24.938,173 8.628,174 0.501,175 1.296,176 29.464,177 9.114,178 14.32,179 0.856,180 1.523,181 41.713,182 10.923,183 127.718,184 17.868,185 0.819,186 1.585,187 47.454,188 11.424,189 148.466,190 19.398,191 1.229,192 1.63,193 47.636,194 11.132,195 238.111,196 18.663,197 1.669,198 51.675,199 12.151,200 19.844,201 0.966,202 1.717,203 49.908,204 13.373,205 183.131,206 21.221,207 1.216,208 1.735,209 53.05,210 13.833,211 237.306,212 22.681,213 205,214 39,215 0.254,216 0.497,217 0.704,218 0.756,219 0.777,220 0.791,221 3.471,222 1.049,223 -1.62,224 -1.69,225 -1.72,226 29,227 5,228 4,229 2,231 1,232 3,237 4,238 1,239 2,240 2,241 2,242 1,243 1,244 7,245 2,247 2,248 6,249 1,250 4,251 1,252 2,253 6,254 1,255 1,257 4,258 3,259 3,260 6,262 1,264 6,265 1,267 9,269 1,270 2,271 3,272 8,273 1,274 4,276 9,277 1,278 3,279 1,280 2,281 1,282 6,283 3,284 2,285 4,286 6,287 1,288 1,289 4,290 1,292 2,293 4,294 2,295 2,296 9,297 2,298 2,299 2,300 8,301 2,302 5,303 2,304 6,305 1,306 2,307 8,308 1,309 4,310 2,311 3,312 1,313 2,314 8,315 1,316 1954,317 19.035,318 19.035,319 19.035,320 19.035,321 19.035,322 17.996,323 11.587,324 19.26,325 14.789,326 14.789,327 14.789,328 14.789,329 14.789,330 13.185,331 17.779,332 5.526,333 15.118,334 4.536,335 3.031,336 1.751,337 1.428,338 1.301,339 1.214,340 4.097,342 1,344 693,345 6.245,350 1.848,353 0.5,354 0.5,355 0.5,356 0.8,357 1,358 0.33,360 0.52,361 70,362 369,363 4.097,364 3.846,365 6.199,366 3.931,367 2.947,368 3.262,369 2.376,370 9.209,371 2.891,372 3.944,373 3.751,374 6.016,375 3.769,376 2.783,377 3.1,378 1.99,379 8.579,380 2.735,381 3.752,382 3.62,383 5.814,384 3.578,385 2.586,386 2.908,387 1.937,388 7.863,389 2.554,390 3.656,391 4.71,392 2.885,393 1.888,394 5.182,395 2.136,396 3.457,397 4.659,398 3.129,399 2.115,400 7.035}
{0 CHEMBL1689603,1 26.71,2 0.536,3 1.215,4 0.529,5 0.965,6 0.861,7 0.83,8 1.023,9 1.395,10 7,11 76.689,12 4.625,13 4.773,14 0.212,15 0.101,16 -0.127,17 -0.016,18 0.161,19 0.062,20 0.113,21 0.12,22 -0.058,23 94.057,24 19.519,25 76.689,26 308.135,27 414.86,28 286,29 5.538,30 5.847,31 5.82,32 11.769,33 24.852,34 2.293,35 3.146,36 2.233,37 2.047,38 0.574,39 1.649,40 1.533,41 -0.195,42 0.174,43 0.121,44 1.778,45 55.833,46 12.473,47 4.559,48 4.289,49 4.205,50 4.12,51 0.463,52 314.196,53 0.475,54 1.075,55 0.031,56 5.969,57 39.33,58 0.761,59 9.047,60 4.093,61 6.361,62 4,63 2.175,64 0.191,65 0.284,66 0.225,67 0.879,68 0.991,69 0.897,70 1.082,71 0.474,72 0.012,73 4,74 4,75 37.905,76 50.512,77 1.746,78 2.175,79 15.75,80 3.972,81 1.936,82 2.036,83 64.375,85 0.31,86 6.733,87 2.018,90 0.706,91 0.028,92 1.021,93 0.834,94 1.047,103 2.026,105 0.209,106 3.761,107 0.352,108 57.328,109 2.936,110 3.584,111 3.298,112 -0.103,113 7.643,114 2.936,115 4.912,116 3.388,117 51.497,118 1.42,119 10.16,120 4.463,121 19.922,122 101.104,123 0.385,124 4.035,125 4.177,126 3.439,127 3.532,128 5.065,129 3.479,130 4.586,131 4.797,132 3.768,133 3.919,134 3.829,135 4.873,136 5.116,137 3.81,138 4.041,139 3.92,140 4.972,141 5.264,142 3.988,143 5.907,144 3.853,145 4.814,146 5.08,147 3.694,148 3.867,149 5.847,150 3.774,151 4.759,152 4.989,153 3.688,154 3.894,155 3.798,156 4.83,157 5.067,158 3.761,159 3.972,160 5.929,161 3.855,162 4.903,163 5.164,164 3.672,165 4.025,166 5.823,167 3.877,168 0.065,169 0.758,170 12.907,171 5.074,172 11.823,173 7.342,174 0.227,175 1.186,176 22.595,177 8.289,178 12.391,179 0.317,180 1.424,181 30.396,182 10.244,183 46.093,184 15.495,185 0.414,186 1.433,187 33.757,188 10.239,189 63.429,190 16.098,191 0.386,192 1.261,193 29.378,194 7.939,195 60.197,196 12.753,197 1.218,198 27.723,199 8.481,200 12.729,201 0.529,202 1.301,203 29.589,204 9.851,205 81.873,206 14.489,207 0.301,208 1.397,209 31.214,210 10.538,211 50.986,212 15.896,213 51,214 35,215 0.239,216 0.575,217 0.733,218 0.777,219 0.802,220 0.839,221 3.266,222 1.037,223 -4.11,224 -4.05,225 -3.84,226 37,227 4,228 2,229 2,231 1,232 1,233 2,234 1,235 1,236 1,237 1,244 11,245 2,248 1,249 1,250 5,253 11,256 1,257 3,258 1,260 5,261 4,264 5,266 2,267 6,269 2,272 7,276 5,278 3,282 5,285 3,286 6,289 3,291 2,292 2,293 3,296 11,300 2,304 6,307 11,309 1,313 3,314 13,316 1001,317 16.259,318 16.259,319 16.259,320 16.259,321 16.259,322 14.789,323 9.781,324 16.448,325 12.826,326 12.826,327 12.826,328 12.826,329 12.826,330 10.535,331 11.673,332 4.643,333 13.121,334 4.335,335 2.331,336 1.389,337 1.13,338 0.982,339 0.76,340 3.926,342 1,343 1,344 518,345 4.472,347 61.828,348 75.152,349 115.378,350 1.459,352 1,353 1,354 1,355 1,356 1,357 1,358 1,359 1,360 1,361 53.5,362 254,363 4.623,364 3.73,365 6.718,366 4.149,367 3.174,368 4.578,369 1.958,370 10.907,371 3.095,372 3.986,373 3.24,374 6.041,375 3.79,376 2.8,377 3.193,378 0.639,379 8.649,380 2.763,381 3.598,382 2.473,383 5.466,384 3.229,385 2.234,386 2.999,387 0.141,388 6.679,389 2.222,390 3.248,391 4.764,392 2.481,394 5.252,395 2.11,396 3.186,397 4.703,398 3.08,399 2.077,400 4.301}
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