smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2cc(=S)ss2)cc1 ZINC000000000949 175031062 /nfs/dbraw/zinc/03/10/62/175031062.db2.gz KYLIZBIRMBGUOP-UHFFFAOYSA-N 0 0 240.374 4.215 50 0 world BIAARN O=C(Oc1ccc2ccccc2c1)c1ccccc1 ZINC000000001012 182609113 /nfs/dbraw/zinc/60/91/13/182609113.db2.gz DWJIJRSTYFPKGD-UHFFFAOYSA-N 0 0 248.281 4.059 50 0 BIAARN c1ccc2c(c1)[nH]c1c2CSc2ccccc2-1 ZINC000000006892 383818034 /nfs/dbraw/zinc/81/80/34/383818034.db2.gz ZGOOPZVQMLHPFM-UHFFFAOYSA-N 0 0 237.327 4.441 50 0 in-vitro BIAARN CNc1ccc(-c2nc3ccccc3s2)cc1 ZINC000000009200 383818093 /nfs/dbraw/zinc/81/80/93/383818093.db2.gz FHJRKGXJBXPBGA-UHFFFAOYSA-N 0 0 240.331 4.005 50 0 BIAARN Cc1ccccc1Nc1nccc2ccccc21 ZINC000000013163 179308215 /nfs/dbraw/zinc/30/82/15/179308215.db2.gz CZYHUJFVFJTBFP-UHFFFAOYSA-N 0 0 234.302 4.287 50 0 BIAARN Oc1ccc(Nc2ccc3ccccc3c2)cc1 ZINC000000018550 183276767 /nfs/dbraw/zinc/27/67/67/183276767.db2.gz RACMGQBQYYWANW-UHFFFAOYSA-N 0 0 235.286 4.289 50 0 BIAARN c1c(-c2ccc3ccccc3c2)nc2ccccn12 ZINC000000023744 384272951 /nfs/dbraw/zinc/27/29/51/384272951.db2.gz MHMQWLFOKMOGLI-UHFFFAOYSA-N 0 0 244.297 4.155 50 0 BIAARN CCC(C)(C)C(=O)Nc1ccccc1C(C)C ZINC000000030643 168268758 /nfs/dbraw/zinc/26/87/58/168268758.db2.gz FIJVOQSHBNXKTA-UHFFFAOYSA-N 0 0 233.355 4.185 50 0 BIAARN Cc1ccc(NC(=O)CC(C)(C)C)cc1Cl ZINC000000030834 342670454 /nfs/dbraw/zinc/67/04/54/342670454.db2.gz KEHPKOUEWOEWMM-UHFFFAOYSA-N 0 0 239.746 4.023 50 0 BIAARN CCC[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000000030879 169353155 /nfs/dbraw/zinc/35/31/55/169353155.db2.gz BIQFQMXWTRNYFM-SECBINFHSA-N 0 0 239.746 4.023 50 0 BIAARN CCC[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000000030880 383819465 /nfs/dbraw/zinc/81/94/65/383819465.db2.gz BIQFQMXWTRNYFM-VIFPVBQESA-N 0 0 239.746 4.023 50 0 BIAARN CCC[C@@H](C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000000030893 169353433 /nfs/dbraw/zinc/35/34/33/169353433.db2.gz WGVWLKXZBUVUAM-SNVBAGLBSA-N 0 0 239.746 4.023 50 0 in-vitro BIAARN CCC[C@H](C)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000000030894 383819457 /nfs/dbraw/zinc/81/94/57/383819457.db2.gz WGVWLKXZBUVUAM-JTQLQIEISA-N 0 0 239.746 4.023 50 0 in-vitro BIAARN CCC[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000000030899 169352716 /nfs/dbraw/zinc/35/27/16/169352716.db2.gz ZLUIYTMVNWUWMF-SNVBAGLBSA-N 0 0 239.746 4.023 50 0 BIAARN CCC[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000000030900 383818834 /nfs/dbraw/zinc/81/88/34/383818834.db2.gz ZLUIYTMVNWUWMF-JTQLQIEISA-N 0 0 239.746 4.023 50 0 BIAARN C1=CSC(=C2SC=CS2)S1 ZINC000000032315 342670352 /nfs/dbraw/zinc/67/03/52/342670352.db2.gz FHCPAXDKURNIOZ-UHFFFAOYSA-N 0 0 204.366 4.015 50 0 in-vitro BIAARN CC(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000000032515 631288533 /nfs/dbraw/zinc/28/85/33/631288533.db2.gz RLCMKNKDDGFULL-UHFFFAOYSA-N 0 0 235.286 4.038 50 0 BIAARN CSc1nc2ccccc2n1C1CCCCC1 ZINC000000032584 342670428 /nfs/dbraw/zinc/67/04/28/342670428.db2.gz CFHMQUPENSXIPB-UHFFFAOYSA-N 0 0 246.379 4.263 50 0 BIAARN O=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000000035793 383819624 /nfs/dbraw/zinc/81/96/24/383819624.db2.gz RKZWOCAAXGBQBN-UHFFFAOYSA-N 0 0 241.073 4.066 50 0 BIAARN O=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000000037694 383819258 /nfs/dbraw/zinc/81/92/58/383819258.db2.gz WTXWLFKNQYWFPK-UHFFFAOYSA-N 0 0 241.073 4.066 50 0 BIAARN Cc1ccc2cc(-c3cccs3)[nH]c2c1 ZINC000000039121 178967424 /nfs/dbraw/zinc/96/74/24/178967424.db2.gz IDRWNQWNBBLSOY-UHFFFAOYSA-N 0 0 213.305 4.205 50 0 BIAARN Cc1cc(=S)c2cc(Cl)ccc2o1 ZINC000000039970 357143752 /nfs/dbraw/zinc/14/37/52/357143752.db2.gz HDRXPMSMOIYTID-UHFFFAOYSA-N 0 0 210.685 4.124 50 0 BIAARN c1c(-c2ccccc2)noc1-c1ccccc1 ZINC000000041714 183378003 /nfs/dbraw/zinc/37/80/03/183378003.db2.gz HECRDSFKLUVCAY-UHFFFAOYSA-N 0 0 221.259 4.009 50 0 BIAARN O=C(CCc1cccc(Cl)c1)c1ccccc1 ZINC000000047519 342671269 /nfs/dbraw/zinc/67/12/69/342671269.db2.gz CADQEXRPDXILFP-UHFFFAOYSA-N 0 0 244.721 4.156 50 0 BIAARN ClC(Cl)=Cc1cc(-c2ccccc2)on1 ZINC000000047831 342671340 /nfs/dbraw/zinc/67/13/40/342671340.db2.gz UHKQVZNOJCRPQW-UHFFFAOYSA-N 0 0 240.089 4.118 50 0 BIAARN Cc1ccc2nc(C3CCCCC3)oc2c1 ZINC000000048743 342671320 /nfs/dbraw/zinc/67/13/20/342671320.db2.gz QXMBKFWGTVPSFX-UHFFFAOYSA-N 0 0 215.296 4.184 50 0 BIAARN CC1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000000050701 168135008 /nfs/dbraw/zinc/13/50/08/168135008.db2.gz FZTOIOYDPXSQDM-MRXNPFEDSA-N 0 0 236.318 4.014 50 0 BIAARN CC1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000000050702 168135093 /nfs/dbraw/zinc/13/50/93/168135093.db2.gz FZTOIOYDPXSQDM-INIZCTEOSA-N 0 0 236.318 4.014 50 0 BIAARN CC(=O)c1[nH]c2ccccc2c1-c1ccccc1 ZINC000000054770 187407399 /nfs/dbraw/zinc/40/73/99/187407399.db2.gz RGULCBCGRUAKKZ-UHFFFAOYSA-N 0 0 235.286 4.038 50 0 BIAARN Cc1cc(NCc2ccccc2)nc2ccccc12 ZINC000000055460 178172595 /nfs/dbraw/zinc/17/25/95/178172595.db2.gz JUEAKQUMMBNRJE-UHFFFAOYSA-N 0 0 248.329 4.155 50 0 BIAARN CC[C@@H](C)Nc1ccc(N[C@H](C)CC)cc1 ZINC000000057577 342672072 /nfs/dbraw/zinc/67/20/72/342672072.db2.gz FSWDLYNGJBGFJH-VXGBXAGGSA-N 0 0 220.360 4.107 50 0 BIAARN O=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000000058994 383820906 /nfs/dbraw/zinc/82/09/06/383820906.db2.gz DFXHLUMKJNNXSE-UHFFFAOYSA-N 0 0 241.073 4.066 50 0 BIAARN O=C(Nc1ccc2ccccc2c1)c1ccccc1 ZINC000000061518 182365638 /nfs/dbraw/zinc/36/56/38/182365638.db2.gz PBVHCWSPPOGLNA-UHFFFAOYSA-N 0 0 247.297 4.092 50 0 BIAARN O=C(Nc1cccc2ccccc21)c1ccccc1 ZINC000000061529 182372974 /nfs/dbraw/zinc/37/29/74/182372974.db2.gz ALANUUFGKYEMNI-UHFFFAOYSA-N 0 0 247.297 4.092 50 0 in-vitro BIAARN CSc1cccc2c(SC)cccc12 ZINC000000062060 344131381 /nfs/dbraw/zinc/13/13/81/344131381.db2.gz MAYVZUQEFSJDHA-UHFFFAOYSA-N 0 0 220.362 4.284 50 0 BIAARN c1ccc2c(c1)NC1(CCCCCC1)S2 ZINC000000062399 384581224 /nfs/dbraw/zinc/58/12/24/384581224.db2.gz PKPWMKHYIZRSHT-UHFFFAOYSA-N 0 0 219.353 4.255 50 0 BIAARN CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000000067665 166441488 /nfs/dbraw/zinc/44/14/88/166441488.db2.gz WGJPGMJLARWHRK-UHFFFAOYSA-N 0 0 248.366 4.190 50 0 BIAARN S=c1sc2c(s1)SCCCS2 ZINC000000070390 183315673 /nfs/dbraw/zinc/31/56/73/183315673.db2.gz DOEVIAQPIMUTRZ-UHFFFAOYSA-N 0 0 238.449 4.127 50 0 BIAARN Clc1ccccc1-c1cc2ccccc2[nH]1 ZINC000000072423 342672695 /nfs/dbraw/zinc/67/26/95/342672695.db2.gz LZJWKDHFCALIGX-UHFFFAOYSA-N 0 0 227.694 4.488 50 0 BIAARN Clc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000000072427 342672737 /nfs/dbraw/zinc/67/27/37/342672737.db2.gz KDNXKQSAAZNUCK-UHFFFAOYSA-N 0 0 227.694 4.488 50 0 aggregator BIAARN ClC1(Cl)C[C@@H]1Cc1cccc(C2CC2)c1 ZINC000000076254 344239475 /nfs/dbraw/zinc/23/94/75/344239475.db2.gz KLMAHWDEZDUWHP-LBPRGKRZSA-N 0 0 241.161 4.300 50 0 BIAARN ClC1(Cl)C[C@H]1Cc1cccc(C2CC2)c1 ZINC000000076258 344239360 /nfs/dbraw/zinc/23/93/60/344239360.db2.gz KLMAHWDEZDUWHP-GFCCVEGCSA-N 0 0 241.161 4.300 50 0 BIAARN CCNc1nc2c(cc(Cl)cc2Cl)s1 ZINC000000077413 170177157 /nfs/dbraw/zinc/17/71/57/170177157.db2.gz ZXUHCNUWBRJWCO-UHFFFAOYSA-N 0 0 247.150 4.035 50 0 BIAARN CSc1cc(SC)c(C)c(SC)c1 ZINC000000077583 175573573 /nfs/dbraw/zinc/57/35/73/175573573.db2.gz RUUDMWXVKJLEIE-UHFFFAOYSA-N 0 0 230.423 4.161 50 0 BIAARN Cc1ccc2sc(-c3ccccc3)nc2c1 ZINC000000077596 342673151 /nfs/dbraw/zinc/67/31/51/342673151.db2.gz CIRWUZNDHHSHSU-UHFFFAOYSA-N 0 0 225.316 4.272 50 0 BIAARN Cc1ccccc1-c1nc2cc(Cl)ccc2o1 ZINC000000079980 179237708 /nfs/dbraw/zinc/23/77/08/179237708.db2.gz DNQYCDYGEVZKKU-UHFFFAOYSA-N 0 0 243.693 4.457 50 0 BIAARN Clc1cc2c3c([nH]c2c(Cl)c1)CCCC3 ZINC000000081357 342673444 /nfs/dbraw/zinc/67/34/44/342673444.db2.gz XPQBMZHTTDPWLM-UHFFFAOYSA-N 0 0 240.133 4.354 50 0 BIAARN Cc1ccc(C(=O)Cc2ccccc2)cc1Cl ZINC000000081481 178374515 /nfs/dbraw/zinc/37/45/15/178374515.db2.gz CXYRKOYHAVMOTJ-UHFFFAOYSA-N 0 0 244.721 4.074 50 0 BIAARN O=C(Nc1ccccc1)c1cccc2ccccc21 ZINC000000083792 182378224 /nfs/dbraw/zinc/37/82/24/182378224.db2.gz CIPHTOQKGSLCLV-UHFFFAOYSA-N 0 0 247.297 4.092 50 0 BIAARN ClC(Cl)=Cc1nc2ccccc2s1 ZINC000000086291 342673883 /nfs/dbraw/zinc/67/38/83/342673883.db2.gz JZLMQOVEVLRRFX-UHFFFAOYSA-N 0 0 230.119 4.072 50 0 BIAARN S=c1sscc1-c1ccccc1 ZINC000000086451 183315675 /nfs/dbraw/zinc/31/56/75/183315675.db2.gz UKPKVVDYQDZSTL-UHFFFAOYSA-N 0 0 210.348 4.206 50 0 BIAARN S=c1nc[nH]c2sc(-c3ccccc3)cc21 ZINC000000087611 183314403 /nfs/dbraw/zinc/31/44/03/183314403.db2.gz ODRXIJABAVSNSW-UHFFFAOYSA-N 0 0 244.344 4.021 50 0 BIAARN O=C(Oc1cccc2ccccc21)c1ccccc1 ZINC000000088393 342673857 /nfs/dbraw/zinc/67/38/57/342673857.db2.gz KZWCTFLBFSWYHS-UHFFFAOYSA-N 0 0 248.281 4.059 50 0 BIAARN Cc1ccn2cc(-c3ccc(F)cc3)cc2c1 ZINC000000089771 179414307 /nfs/dbraw/zinc/41/43/07/179414307.db2.gz RTBSSFWVTZMMHF-UHFFFAOYSA-N 0 0 225.266 4.054 50 0 BIAARN CCc1ccc2cc(-c3ccc(F)cc3)cn2c1 ZINC000000089774 384293529 /nfs/dbraw/zinc/29/35/29/384293529.db2.gz VCEXLRIHEABTGG-UHFFFAOYSA-N 0 0 239.293 4.308 50 0 BIAARN Fc1ccc(-c2ccc3ccccc3n2)cc1 ZINC000000090777 342673822 /nfs/dbraw/zinc/67/38/22/342673822.db2.gz KYNDIMNIIXRFAJ-UHFFFAOYSA-N 0 0 223.250 4.041 50 0 BIAARN Clc1ncnc2scc(-c3ccccc3)c21 ZINC000000097771 342674302 /nfs/dbraw/zinc/67/43/02/342674302.db2.gz WONOKVSIDWOIGC-UHFFFAOYSA-N 0 0 246.722 4.012 50 0 BIAARN Clc1ncnc2sc(-c3ccccc3)cc21 ZINC000000097779 180603764 /nfs/dbraw/zinc/60/37/64/180603764.db2.gz WJFATWIQZZNARY-UHFFFAOYSA-N 0 0 246.722 4.012 50 0 BIAARN S=c1cc(-c2ccccc2)ss1 ZINC000000098504 183315147 /nfs/dbraw/zinc/31/51/47/183315147.db2.gz NYJHOCZVKHRRLG-UHFFFAOYSA-N 0 0 210.348 4.206 50 0 BIAARN CCOC(=O)Sc1ccc2ccccc2c1 ZINC000000101224 170244708 /nfs/dbraw/zinc/24/47/08/170244708.db2.gz OAWOHJSTHTWYHW-UHFFFAOYSA-N 0 0 232.304 4.088 50 0 BIAARN Cc1cc(=S)cc(C)n1CCc1ccccc1 ZINC000000101534 344468221 /nfs/dbraw/zinc/46/82/21/344468221.db2.gz WKGXPNCQBDJXJM-UHFFFAOYSA-N 0 0 243.375 4.077 50 0 BIAARN CC[C@@H](C)c1ccc(NC(=O)c2ccco2)cc1 ZINC000000101743 170804237 /nfs/dbraw/zinc/80/42/37/170804237.db2.gz XPZCULVCKWTPTD-LLVKDONJSA-N 0 0 243.306 4.045 50 0 BIAARN CC[C@H](C)c1ccc(NC(=O)c2ccco2)cc1 ZINC000000101748 383828207 /nfs/dbraw/zinc/82/82/07/383828207.db2.gz XPZCULVCKWTPTD-NSHDSACASA-N 0 0 243.306 4.045 50 0 BIAARN Fc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000000104007 342674731 /nfs/dbraw/zinc/67/47/31/342674731.db2.gz QHVWXKKGLRPBBC-UHFFFAOYSA-N 0 0 247.656 4.287 50 0 BIAARN Cc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000000104011 178986166 /nfs/dbraw/zinc/98/61/66/178986166.db2.gz GSCLPYWGXHGCOK-UHFFFAOYSA-N 0 0 243.693 4.457 50 0 BIAARN Cc1ccc2oc(-c3cccc(C)c3)nc2c1 ZINC000000105134 178996519 /nfs/dbraw/zinc/99/65/19/178996519.db2.gz BNIGTUNMSKIXBQ-UHFFFAOYSA-N 0 0 223.275 4.112 50 0 BIAARN Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000000105136 342674689 /nfs/dbraw/zinc/67/46/89/342674689.db2.gz IEAFYCBGSWUVQT-UHFFFAOYSA-N 0 0 243.693 4.457 50 0 BIAARN Cc1[nH]c2cc(C)c3nc(C)cc(C)c3c2c1C ZINC000000105140 385208353 /nfs/dbraw/zinc/20/83/53/385208353.db2.gz XMGAHFZCSUENMZ-UHFFFAOYSA-N 0 0 238.334 4.258 50 0 BIAARN c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000000105208 183380633 /nfs/dbraw/zinc/38/06/33/183380633.db2.gz CNRNYORZJGVOSY-UHFFFAOYSA-N 0 0 221.259 4.009 50 0 BIAARN CCC(=O)c1ccc(-c2ccccc2F)cc1 ZINC000000105294 168254990 /nfs/dbraw/zinc/25/49/90/168254990.db2.gz ZXIQZWXVSBJPTC-UHFFFAOYSA-N 0 0 228.266 4.085 50 0 BIAARN Fc1ccc(-c2cc3ccccc3[nH]2)cc1F ZINC000000108664 342674827 /nfs/dbraw/zinc/67/48/27/342674827.db2.gz KCJSNAZSJSHQCC-UHFFFAOYSA-N 0 0 229.229 4.113 50 0 BIAARN Cc1ccc(Nc2nc(C3CC3)cs2)cc1 ZINC000000108757 178782060 /nfs/dbraw/zinc/78/20/60/178782060.db2.gz JTILLJJRJYGQQA-UHFFFAOYSA-N 0 0 230.336 4.073 50 0 BIAARN Cc1cccc(C)c1Nc1nc2ccccc2o1 ZINC000000108811 179044788 /nfs/dbraw/zinc/04/47/88/179044788.db2.gz QLNZRNGQASKYDW-UHFFFAOYSA-N 0 0 238.290 4.188 50 0 BIAARN Nc1csc(C(F)(F)F)c1-c1ccccc1 ZINC000000108898 342674696 /nfs/dbraw/zinc/67/46/96/342674696.db2.gz KBIPYEXWOYDDDL-UHFFFAOYSA-N 0 0 243.253 4.016 50 0 BIAARN CCCn1c2ccccc2nc1-c1cccs1 ZINC000000109250 344544518 /nfs/dbraw/zinc/54/45/18/344544518.db2.gz KVWROADNCYIZDV-UHFFFAOYSA-N 0 0 242.347 4.175 50 0 BIAARN Clc1ccccc1Nc1nc2ccccc2o1 ZINC000000110649 344546755 /nfs/dbraw/zinc/54/67/55/344546755.db2.gz YCVGAYXIQCGTFE-UHFFFAOYSA-N 0 0 244.681 4.225 50 0 BIAARN CC(C)(C)OC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000000111417 342675005 /nfs/dbraw/zinc/67/50/05/342675005.db2.gz QMSTYFWSKOAMSX-UHFFFAOYSA-N 0 0 249.354 4.331 50 0 BIAARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1 ZINC000000112445 177334999 /nfs/dbraw/zinc/33/49/99/177334999.db2.gz FTECJLOPKLYFII-BLLLJJGKSA-N 0 0 238.334 4.044 50 0 BIAARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1 ZINC000000112448 176379823 /nfs/dbraw/zinc/37/98/23/176379823.db2.gz FTECJLOPKLYFII-MLGOLLRUSA-N 0 0 238.334 4.044 50 0 BIAARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1 ZINC000000112451 177372823 /nfs/dbraw/zinc/37/28/23/177372823.db2.gz FTECJLOPKLYFII-LRDDRELGSA-N 0 0 238.334 4.044 50 0 BIAARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1 ZINC000000112456 176426772 /nfs/dbraw/zinc/42/67/72/176426772.db2.gz FTECJLOPKLYFII-WBMJQRKESA-N 0 0 238.334 4.044 50 0 BIAARN CC(C)n1nc(C(C)(C)C)cc1C(C)(C)C ZINC000000112942 342675125 /nfs/dbraw/zinc/67/51/25/342675125.db2.gz FNSGHCNXPGVXNX-UHFFFAOYSA-N 0 0 222.376 4.059 50 0 BIAARN CC(=O)c1cc(-c2ccc(Cl)cc2)oc1C ZINC000000113383 383827394 /nfs/dbraw/zinc/82/73/94/383827394.db2.gz AOCVLRAZYZGWMS-UHFFFAOYSA-N 0 0 234.682 4.111 50 0 BIAARN Cc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000000113779 179864188 /nfs/dbraw/zinc/86/41/88/179864188.db2.gz RZBGTQNHRGFFFI-UHFFFAOYSA-N 0 0 244.146 4.425 50 0 BIAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)cs1 ZINC000000113817 179863494 /nfs/dbraw/zinc/86/34/94/179863494.db2.gz VHSDTHIRJGRETH-UHFFFAOYSA-N 0 0 243.253 4.137 50 0 BIAARN S=c1nc[nH]c2scc(-c3ccccc3)c21 ZINC000000118200 183315151 /nfs/dbraw/zinc/31/51/51/183315151.db2.gz LNOFOMVIGAWPSJ-UHFFFAOYSA-N 0 0 244.344 4.021 50 0 BIAARN CC(=O)c1ccc2c(c1)Nc1ccccc1S2 ZINC000000119687 383831238 /nfs/dbraw/zinc/83/12/38/383831238.db2.gz JWGBOHJGWOPYCL-UHFFFAOYSA-N 0 0 241.315 4.097 50 0 in-vitro BIAARN c1ncn(C2CCCCC2)c1C1CCCCC1 ZINC000000120543 342675368 /nfs/dbraw/zinc/67/53/68/342675368.db2.gz RPUYMGRFOKMRSB-UHFFFAOYSA-N 0 0 232.371 4.436 50 0 BIAARN CC1=CC(C)(C)CC(=S)N1c1cccc(F)c1 ZINC000000124972 132312780 /nfs/dbraw/zinc/31/27/80/132312780.db2.gz IWSPQMAWYVQBIO-UHFFFAOYSA-N 0 0 249.354 4.293 50 0 BIAARN c1ccc2oc(-c3ccnc4ccccc43)nc2c1 ZINC000000127676 183459502 /nfs/dbraw/zinc/45/95/02/183459502.db2.gz ZWDKCUBLTZCXCX-UHFFFAOYSA-N 0 0 246.269 4.043 50 0 BIAARN c1ccc2oc(-c3ccc4ccccc4n3)nc2c1 ZINC000000127681 183458666 /nfs/dbraw/zinc/45/86/66/183458666.db2.gz LEYACHSFIUEDPZ-UHFFFAOYSA-N 0 0 246.269 4.043 50 0 aggregator BIAARN CC(C)c1ccccc1NC(=O)c1ccccc1 ZINC000000128489 167641705 /nfs/dbraw/zinc/64/17/05/167641705.db2.gz LWNRYWRKZPBSLL-UHFFFAOYSA-N 0 0 239.318 4.062 50 0 BIAARN CC(C)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000000129668 344559962 /nfs/dbraw/zinc/55/99/62/344559962.db2.gz KPVUCQCHICRYHH-UHFFFAOYSA-N 0 0 240.302 4.029 50 0 BIAARN c1csc(-c2nc3ccccc3s2)c1 ZINC000000133512 183514483 /nfs/dbraw/zinc/51/44/83/183514483.db2.gz CNDVGJHQJAJTJK-UHFFFAOYSA-N 0 0 217.318 4.025 50 0 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Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1N ZINC000001235908 177827223 /nfs/dbraw/zinc/82/72/23/177827223.db2.gz KOENVNBHHIFQKL-UHFFFAOYSA-N 0 0 219.372 4.172 50 0 BIAARN CCCc1c(C)[nH]c2c(OC)cccc2c1=S ZINC000001253597 353111017 /nfs/dbraw/zinc/11/10/17/353111017.db2.gz PHQZCWARUOOANM-UHFFFAOYSA-N 0 0 247.363 4.167 50 0 BIAARN CCc1c(C)[nH]c2c(Cl)cccc2c1=S ZINC000001254227 353111705 /nfs/dbraw/zinc/11/17/05/353111705.db2.gz BYBWJLRIDQXPKR-UHFFFAOYSA-N 0 0 237.755 4.422 50 0 BIAARN CCCc1ccc(-c2ccccc2C=O)cc1 ZINC000001260149 541496041 /nfs/dbraw/zinc/49/60/41/541496041.db2.gz AYWJNLUABAJPBV-UHFFFAOYSA-N 0 0 224.303 4.119 50 0 BIAARN CC(=O)c1c(C)c(-c2ccccc2)n2ccccc12 ZINC000001277457 322810236 /nfs/dbraw/zinc/81/02/36/322810236.db2.gz SKYQJVMJLUFUQE-UHFFFAOYSA-N 0 0 249.313 4.117 50 0 BIAARN Cc1ccc2c(c1N)[C@@H](C)CC21CCCCC1 ZINC000001308744 353133241 /nfs/dbraw/zinc/13/32/41/353133241.db2.gz CAILETNEDRFLJN-LBPRGKRZSA-N 0 0 229.367 4.286 50 0 BIAARN Cc1ccc2c(c1N)[C@H](C)CC21CCCCC1 ZINC000001308745 353133323 /nfs/dbraw/zinc/13/33/23/353133323.db2.gz CAILETNEDRFLJN-GFCCVEGCSA-N 0 0 229.367 4.286 50 0 BIAARN COc1ccccc1C/C=C/c1cccs1 ZINC000001384327 175319762 /nfs/dbraw/zinc/31/97/62/175319762.db2.gz QUXWGVIXVIAHFT-XBXARRHUSA-N 0 0 230.332 4.013 50 0 BIAARN Cc1cc2ccccc2nc1-c1ccc(F)cc1 ZINC000001386546 178298756 /nfs/dbraw/zinc/29/87/56/178298756.db2.gz RJIIIMSZBCOOOD-UHFFFAOYSA-N 0 0 237.277 4.349 50 0 BIAARN Clc1ncc(CSc2ccccc2)s1 ZINC000001393651 350393462 /nfs/dbraw/zinc/39/34/62/350393462.db2.gz HLBCBFMFCQTTPV-UHFFFAOYSA-N 0 0 241.768 4.089 50 0 BIAARN Clc1ccc2[nH]c(-c3ccccc3)cc2c1 ZINC000001394605 342699757 /nfs/dbraw/zinc/69/97/57/342699757.db2.gz GQGZSWYJDNGSBE-UHFFFAOYSA-N 0 0 227.694 4.488 50 0 aggregator BIAARN Cc1cc2ccccc2nc1-c1ccccc1 ZINC000001395230 178298994 /nfs/dbraw/zinc/29/89/94/178298994.db2.gz BUYMQKLWDAVPNE-UHFFFAOYSA-N 0 0 219.287 4.210 50 0 BIAARN COc1ccc(-c2nc3ccccc3cc2C)cc1 ZINC000001395330 175040896 /nfs/dbraw/zinc/04/08/96/175040896.db2.gz UBEPMLBCPNPDEJ-UHFFFAOYSA-N 0 0 249.313 4.219 50 0 BIAARN c1ccc2nc3c(cc2c1)CCc1ccccc1-3 ZINC000001395489 183448157 /nfs/dbraw/zinc/44/81/57/183448157.db2.gz UYDRVNADJTZXEM-UHFFFAOYSA-N 0 0 231.298 4.000 50 0 BIAARN Clc1nc(-c2ccccc2)nc2ccsc21 ZINC000001399277 190971236 /nfs/dbraw/zinc/97/12/36/190971236.db2.gz CXDKDIMCVLMEDW-UHFFFAOYSA-N 0 0 246.722 4.012 50 0 BIAARN Fc1cccc(-c2ccc(Cl)cc2)c1F ZINC000001405426 353391337 /nfs/dbraw/zinc/39/13/37/353391337.db2.gz SAYGSSNMVRBECO-UHFFFAOYSA-N 0 0 224.637 4.285 50 0 BIAARN CSc1ccc(-c2cccc(F)c2F)cc1 ZINC000001405428 188159310 /nfs/dbraw/zinc/15/93/10/188159310.db2.gz ZQZPPHHBLZLAGC-UHFFFAOYSA-N 0 0 236.286 4.354 50 0 BIAARN CCCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001405430 342699941 /nfs/dbraw/zinc/69/99/41/342699941.db2.gz WOFNMZNJGZJHJO-UHFFFAOYSA-N 0 0 224.303 4.336 50 0 BIAARN CCc1ccc(-c2ccccc2)c(F)c1 ZINC000001405440 342699920 /nfs/dbraw/zinc/69/99/20/342699920.db2.gz GEBUSPQBSWYLBN-UHFFFAOYSA-N 0 0 200.256 4.055 50 0 BIAARN CSC1=Nc2cc(Cl)ccc2SCC1 ZINC000001405563 175456322 /nfs/dbraw/zinc/45/63/22/175456322.db2.gz BWXCKIHJLACPGN-UHFFFAOYSA-N 0 0 243.784 4.229 50 0 BIAARN c1ccn(-c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000001425526 386639535 /nfs/dbraw/zinc/63/95/35/386639535.db2.gz WKZRXZHPAFCKFV-UHFFFAOYSA-N 0 0 231.298 4.049 50 0 BIAARN Clc1cc2[nH]c3c(c2cc1Cl)CCCC3 ZINC000001428728 346044716 /nfs/dbraw/zinc/04/47/16/346044716.db2.gz VNVPZRJNKJKRAQ-UHFFFAOYSA-N 0 0 240.133 4.354 50 0 BIAARN Cc1ccc2c(c1)Cc1cc3cccc(C)c3nc1-2 ZINC000001432109 190971247 /nfs/dbraw/zinc/97/12/47/190971247.db2.gz WFXVHBYCSVNSNY-UHFFFAOYSA-N 0 0 245.325 4.423 50 0 BIAARN C[C@@H]1Cc2ccccc2C(CCc2ccccc2)=[NH+]1 ZINC000001433937 398267554 /nfs/dbraw/zinc/26/75/54/398267554.db2.gz BNTLTMLDYJYRTH-CQSZACIVSA-N 0 0 249.357 4.053 50 0 BIAARN Cc1cc2c(c(C)c1)-c1nc3ccccc3cc1C2 ZINC000001434550 386720713 /nfs/dbraw/zinc/72/07/13/386720713.db2.gz RMZPBQHOHJUQJK-UHFFFAOYSA-N 0 0 245.325 4.423 50 0 BIAARN Cc1ccc2c(c1)Cc1cc3ccccc3nc1-2 ZINC000001434588 188156568 /nfs/dbraw/zinc/15/65/68/188156568.db2.gz ZYFLMAUAHMVVKS-UHFFFAOYSA-N 0 0 231.298 4.114 50 0 BIAARN Cc1ccc2cc3c(nc2c1)-c1ccccc1C3 ZINC000001434606 178970328 /nfs/dbraw/zinc/97/03/28/178970328.db2.gz KLTKFHUXBLAYSK-UHFFFAOYSA-N 0 0 231.298 4.114 50 0 BIAARN CC(=O)c1ccc(/C=C/c2ccccc2)cc1 ZINC000001440490 190972043 /nfs/dbraw/zinc/97/20/43/190972043.db2.gz IGSGJMNWNNQRFJ-BQYQJAHWSA-N 0 0 222.287 4.060 50 0 BIAARN Oc1ccc(C2(c3ccccc3)CCCC2)cc1 ZINC000001467793 183267250 /nfs/dbraw/zinc/26/72/50/183267250.db2.gz PNYGZLDEFPPDPC-UHFFFAOYSA-N 0 0 238.330 4.252 50 0 BIAARN CCCc1nc2ccccc2n1CCC(C)C ZINC000001473050 342701584 /nfs/dbraw/zinc/70/15/84/342701584.db2.gz BRNCRVZCUNBSPG-UHFFFAOYSA-N 0 0 230.355 4.035 50 0 BIAARN CCCn1c2ccccc2nc1-c1ccccc1 ZINC000001473065 355839627 /nfs/dbraw/zinc/83/96/27/355839627.db2.gz HARLAWKYJLQWEE-UHFFFAOYSA-N 0 0 236.318 4.113 50 0 BIAARN c1ccc2[nH]c(CCC3CCCCC3)nc2c1 ZINC000001480394 383901879 /nfs/dbraw/zinc/90/18/79/383901879.db2.gz CAMVEIFINOXKGZ-UHFFFAOYSA-N 0 0 228.339 4.076 50 0 BIAARN Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000001481993 383903163 /nfs/dbraw/zinc/90/31/63/383903163.db2.gz NLZUEZXRPGMBCV-UHFFFAOYSA-N 0 0 220.356 4.296 50 0 endogenous,world BIAARN CP(=O)(Cc1ccccc1)Cc1ccccc1 ZINC000001498205 383903072 /nfs/dbraw/zinc/90/30/72/383903072.db2.gz WMWFWBGEQXURJS-UHFFFAOYSA-N 0 0 244.274 4.380 50 0 BIAARN Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1C ZINC000001504717 187409260 /nfs/dbraw/zinc/40/92/60/187409260.db2.gz FKFVCCPWFITRSN-UHFFFAOYSA-N 0 0 238.330 4.151 50 0 BIAARN c1ccc(COc2cccc3ccccc32)cc1 ZINC000001505075 383902475 /nfs/dbraw/zinc/90/24/75/383902475.db2.gz JWSWULLEVAMIJK-UHFFFAOYSA-N 0 0 234.298 4.419 50 0 in-vitro BIAARN CCCC1CCC(c2ccc(O)cc2)CC1 ZINC000001506910 342702042 /nfs/dbraw/zinc/70/20/42/342702042.db2.gz AHAZEMSUUYFDMM-UHFFFAOYSA-N 0 0 218.340 4.466 50 0 BIAARN c1ccc(-c2nc3cnc4ccccc4c3o2)cc1 ZINC000001507109 355914239 /nfs/dbraw/zinc/91/42/39/355914239.db2.gz ZDBJLXVSVLHTEQ-UHFFFAOYSA-N 0 0 246.269 4.043 50 0 BIAARN Cc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000001508901 178336966 /nfs/dbraw/zinc/33/69/66/178336966.db2.gz BEBJOHXTHXVKKG-UHFFFAOYSA-N 0 0 242.709 4.192 50 0 BIAARN c1oc2ccccc2c1Cc1ccccc1 ZINC000001508921 642820530 /nfs/dbraw/zinc/82/05/30/642820530.db2.gz BVQFHAIYRRWINS-UHFFFAOYSA-N 0 0 208.260 4.024 50 0 BIAARN CSc1nc2c(ccc3ccccc23)s1 ZINC000001508953 342702133 /nfs/dbraw/zinc/70/21/33/342702133.db2.gz NCJSBVUUUHBCQS-UHFFFAOYSA-N 0 0 231.345 4.171 50 0 BIAARN Cc1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000001510377 342702201 /nfs/dbraw/zinc/70/22/01/342702201.db2.gz OPSCELGIEGNCMF-ZDUSSCGKSA-N 0 0 211.308 4.168 50 0 BIAARN Cc1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000001510380 178776543 /nfs/dbraw/zinc/77/65/43/178776543.db2.gz OPSCELGIEGNCMF-CYBMUJFWSA-N 0 0 211.308 4.168 50 0 BIAARN CCOc1cc(Cl)c(Cl)cc1Cl ZINC000001511369 355950083 /nfs/dbraw/zinc/95/00/83/355950083.db2.gz XMLUZDBYNTZUSI-UHFFFAOYSA-N 0 0 225.502 4.046 50 0 BIAARN CCc1cccc2cc(C(C)(C)C)[nH]c21 ZINC000001517336 383903122 /nfs/dbraw/zinc/90/31/22/383903122.db2.gz DWZODHPZMHYREZ-UHFFFAOYSA-N 0 0 201.313 4.028 50 0 BIAARN CCc1ccc2[nH]c(C(C)(C)C)cc2c1 ZINC000001518153 188273462 /nfs/dbraw/zinc/27/34/62/188273462.db2.gz WTDXHPDCKAVUDA-UHFFFAOYSA-N 0 0 201.313 4.028 50 0 BIAARN Clc1cccc(-c2cc3ccccc3[nH]2)c1 ZINC000001519018 342702520 /nfs/dbraw/zinc/70/25/20/342702520.db2.gz JIWIBMGGQWVFFC-UHFFFAOYSA-N 0 0 227.694 4.488 50 0 BIAARN CCOc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000001519027 342702410 /nfs/dbraw/zinc/70/24/10/342702410.db2.gz MKEFYFHAXIUFLA-UHFFFAOYSA-N 0 0 237.302 4.234 50 0 BIAARN Cc1ccc(C)c(-c2cc3ccccc3[nH]2)c1 ZINC000001519049 383901412 /nfs/dbraw/zinc/90/14/12/383901412.db2.gz SOJRREASARRWBU-UHFFFAOYSA-N 0 0 221.303 4.452 50 0 BIAARN CCc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000001519052 342702519 /nfs/dbraw/zinc/70/25/19/342702519.db2.gz LCPDSVIPOHXQCP-UHFFFAOYSA-N 0 0 221.303 4.397 50 0 BIAARN COc1ccc(C)cc1-c1cc2ccccc2[nH]1 ZINC000001519054 175071254 /nfs/dbraw/zinc/07/12/54/175071254.db2.gz IIKGIENOMFAECG-UHFFFAOYSA-N 0 0 237.302 4.152 50 0 BIAARN COc1ccc(-c2cc3ccccc3[nH]2)cc1C ZINC000001519056 175032630 /nfs/dbraw/zinc/03/26/30/175032630.db2.gz DJJHGWVHJAQWFH-UHFFFAOYSA-N 0 0 237.302 4.152 50 0 BIAARN COc1ccc(-c2cc3cc(C)ccc3[nH]2)cc1 ZINC000001519608 175032369 /nfs/dbraw/zinc/03/23/69/175032369.db2.gz ZQEQVVRCPHFXHT-UHFFFAOYSA-N 0 0 237.302 4.152 50 0 BIAARN Cc1ccc2[nH]c(-c3ccc(F)cc3)cc2c1 ZINC000001519630 342702438 /nfs/dbraw/zinc/70/24/38/342702438.db2.gz AMSSUBJBWKGNOX-UHFFFAOYSA-N 0 0 225.266 4.282 50 0 BIAARN c1ccn(-c2ccccc2Oc2ccccc2)c1 ZINC000001519673 187639367 /nfs/dbraw/zinc/63/93/67/187639367.db2.gz FCNXRSOABQMHPR-UHFFFAOYSA-N 0 0 235.286 4.270 50 0 BIAARN FC(F)(F)c1ccc(Cl)c(-n2cccc2)c1 ZINC000001519677 383902694 /nfs/dbraw/zinc/90/26/94/383902694.db2.gz QUXWHTWIYGCPOL-UHFFFAOYSA-N 0 0 245.631 4.150 50 0 BIAARN FC(F)(F)c1cc(-n2cccc2)ccc1Cl ZINC000001519700 180891091 /nfs/dbraw/zinc/89/10/91/180891091.db2.gz QEYGWTNMONJLST-UHFFFAOYSA-N 0 0 245.631 4.150 50 0 BIAARN Clc1ccc(-c2cscn2)c(Cl)c1 ZINC000001520213 342702499 /nfs/dbraw/zinc/70/24/99/342702499.db2.gz KSGIKFJCCZIESB-UHFFFAOYSA-N 0 0 230.119 4.117 50 0 BIAARN Clc1ccc(-c2cscn2)cc1Cl ZINC000001520214 180577021 /nfs/dbraw/zinc/57/70/21/180577021.db2.gz YVKWPMDQMCLYEH-UHFFFAOYSA-N 0 0 230.119 4.117 50 0 BIAARN CC(C)=CCC/C(C)=C/CC/C(C)=C/CO ZINC000001532860 342702559 /nfs/dbraw/zinc/70/25/59/342702559.db2.gz CRDAMVZIKSXKFV-YFVJMOTDSA-N 0 0 222.372 4.398 50 0 endogenous,in-man BIAARN CCCCCCOc1cc(C)c(O)c(C)c1C ZINC000001538784 168671455 /nfs/dbraw/zinc/67/14/55/168671455.db2.gz ATMNQRRJNBCQJO-UHFFFAOYSA-N 0 0 236.355 4.277 50 0 investigational BIAARN CCCCOC(OCCCC)c1ccccc1 ZINC000001555295 383905136 /nfs/dbraw/zinc/90/51/36/383905136.db2.gz WSVMGQQPLZDDQN-UHFFFAOYSA-N 0 0 236.355 4.319 50 0 BIAARN C(/C=C/c1ccccc1)=C\c1ccccc1 ZINC000001555429 166226152 /nfs/dbraw/zinc/22/61/52/166226152.db2.gz JFLKFZNIIQFQBS-FNCQTZNRSA-N 0 0 206.288 4.413 50 0 in-vivo BIAARN COc1ccccc1/C=C1\C=Cc2ccccc21 ZINC000001556093 175314727 /nfs/dbraw/zinc/31/47/27/175314727.db2.gz OBWYFXPPDTYSBV-WYMLVPIESA-N 0 0 234.298 4.263 50 0 BIAARN CCCCC[C@@H](C)[C@@H](C)c1cc(O)cc(O)c1 ZINC000001556586 342702872 /nfs/dbraw/zinc/70/28/72/342702872.db2.gz LFAMTYOOZUPASP-VXGBXAGGSA-N 0 0 236.355 4.418 50 0 BIAARN CCCCC[C@H](C)[C@@H](C)c1cc(O)cc(O)c1 ZINC000001556587 168744030 /nfs/dbraw/zinc/74/40/30/168744030.db2.gz LFAMTYOOZUPASP-NWDGAFQWSA-N 0 0 236.355 4.418 50 0 BIAARN CCCCC[C@@H](C)[C@H](C)c1cc(O)cc(O)c1 ZINC000001556588 368646753 /nfs/dbraw/zinc/64/67/53/368646753.db2.gz LFAMTYOOZUPASP-NEPJUHHUSA-N 0 0 236.355 4.418 50 0 BIAARN CCCCC[C@H](C)[C@H](C)c1cc(O)cc(O)c1 ZINC000001556589 368646769 /nfs/dbraw/zinc/64/67/69/368646769.db2.gz LFAMTYOOZUPASP-RYUDHWBXSA-N 0 0 236.355 4.418 50 0 BIAARN Cc1ccc(C(C)(C)C)cc1Br ZINC000001559243 178448641 /nfs/dbraw/zinc/44/86/41/178448641.db2.gz VEIYGWKHCOGECS-UHFFFAOYSA-N 0 0 227.145 4.055 50 0 BIAARN Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000001562178 342703178 /nfs/dbraw/zinc/70/31/78/342703178.db2.gz KYAXCYQVBBQQHB-UHFFFAOYSA-N 0 0 207.276 4.143 50 0 BIAARN CCCC[C@H](CC)COC(=O)c1ccccc1 ZINC000001562393 342703132 /nfs/dbraw/zinc/70/31/32/342703132.db2.gz UADWUILHKRXHMM-ZDUSSCGKSA-N 0 0 234.339 4.060 50 0 BIAARN c1ccc(C2=CCCc3ccccc32)cc1 ZINC000001564626 342703200 /nfs/dbraw/zinc/70/32/00/342703200.db2.gz JKTVTLYXBAHXCW-UHFFFAOYSA-N 0 0 206.288 4.065 50 0 BIAARN c1ccc2c(c1)C1CCC2c2ccccc21 ZINC000001570066 383904478 /nfs/dbraw/zinc/90/44/78/383904478.db2.gz VPPCQVCZKDIGGG-UHFFFAOYSA-N 0 0 206.288 4.058 50 0 BIAARN c1ccc2c(c1)Cc1c-2ccc2ccccc12 ZINC000001570219 387455951 /nfs/dbraw/zinc/45/59/51/387455951.db2.gz HKMTVMBEALTRRR-UHFFFAOYSA-N 0 0 216.283 4.411 50 0 in-vitro BIAARN c1ccc2c(c1)Cc1cc3ccccc3cc1-2 ZINC000001570220 183451384 /nfs/dbraw/zinc/45/13/84/183451384.db2.gz HAPOJKSPCGLOOD-UHFFFAOYSA-N 0 0 216.283 4.411 50 0 in-vitro BIAARN CCCCN(CCCC)C(=O)c1ccc(C)cc1 ZINC000001570933 168805701 /nfs/dbraw/zinc/80/57/01/168805701.db2.gz FSLKSAINLFCHGA-UHFFFAOYSA-N 0 0 247.382 4.037 50 0 BIAARN Cc1cc2ccccc2c(Br)c1C ZINC000001576847 178297014 /nfs/dbraw/zinc/29/70/14/178297014.db2.gz NQNVWRGMNVCCFA-UHFFFAOYSA-N 0 0 235.124 4.219 50 0 BIAARN COc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000001577714 342703991 /nfs/dbraw/zinc/70/39/91/342703991.db2.gz WMMFIDNWZNCBCT-UHFFFAOYSA-N 0 0 245.920 4.309 50 0 BIAARN c1ccc2cc3c(cc2c1)Cc1ccccc1C3 ZINC000001580852 383907428 /nfs/dbraw/zinc/90/74/28/383907428.db2.gz WSXODQAKLVVOCS-UHFFFAOYSA-N 0 0 230.310 4.335 50 0 BIAARN CCN(Cc1ccccc1)c1cccc(C)c1 ZINC000001586392 342704491 /nfs/dbraw/zinc/70/44/91/342704491.db2.gz VIACAIAQHPLINF-UHFFFAOYSA-N 0 0 225.335 4.022 50 0 BIAARN CC(C)(C)[C@@H]1CCC[C@@H](C(C)(C)C)C1=O ZINC000001589897 346450683 /nfs/dbraw/zinc/45/06/83/346450683.db2.gz BTNIGSUBTBPFBN-GHMZBOCLSA-N 0 0 210.361 4.064 50 0 BIAARN CC(C)(C)[C@H]1CCC[C@H](C(C)(C)C)C1=O ZINC000001589898 191118004 /nfs/dbraw/zinc/11/80/04/191118004.db2.gz BTNIGSUBTBPFBN-QWRGUYRKSA-N 0 0 210.361 4.064 50 0 BIAARN CC1C[C@@H](C(C)(C)C)C(=O)[C@H](C(C)(C)C)C1 ZINC000001589901 168191320 /nfs/dbraw/zinc/19/13/20/168191320.db2.gz LDPDMUPXRDWOPE-VXGBXAGGSA-N 0 0 224.388 4.310 50 0 BIAARN CC1C[C@H](C(C)(C)C)C(=O)[C@@H](C(C)(C)C)C1 ZINC000001589902 168191664 /nfs/dbraw/zinc/19/16/64/168191664.db2.gz LDPDMUPXRDWOPE-RYUDHWBXSA-N 0 0 224.388 4.310 50 0 BIAARN c1ccc2c(c1)cccc2CCc1ccncc1 ZINC000001592123 383910338 /nfs/dbraw/zinc/91/03/38/383910338.db2.gz DGCKIKSJIWOPOP-UHFFFAOYSA-N 0 0 233.314 4.020 50 0 BIAARN Fc1ccc2c(c1)Nc1ccccc1S2 ZINC000001596085 342705052 /nfs/dbraw/zinc/70/50/52/342705052.db2.gz GVIIQJJWPGIHCV-UHFFFAOYSA-N 0 0 217.268 4.034 50 0 BIAARN c1ccc(CCCCc2ccccc2)cc1 ZINC000001596220 187828666 /nfs/dbraw/zinc/82/86/66/187828666.db2.gz GLJFYGFBITUZOE-UHFFFAOYSA-N 0 0 210.320 4.252 50 0 BIAARN Brc1cccc(-c2ccccc2)c1 ZINC000001600080 166099165 /nfs/dbraw/zinc/09/91/65/166099165.db2.gz USYQKCQEVBFJRP-UHFFFAOYSA-N 0 0 233.108 4.116 50 0 BIAARN CCCCCCC(O)CCCCCC ZINC000001606049 350477843 /nfs/dbraw/zinc/47/78/43/350477843.db2.gz KWUWHKRBPALTGJ-UHFFFAOYSA-N 0 0 200.366 4.288 50 0 in-vitro BIAARN CC(C)[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000001606264 167347319 /nfs/dbraw/zinc/34/73/19/167347319.db2.gz PPYCLUVYMVFFHG-MRXNPFEDSA-N 0 0 238.330 4.309 50 0 BIAARN CC(C)=CCC[C@@](C)(O)[C@H]1CC=C(C)CC1 ZINC000001609418 322810487 /nfs/dbraw/zinc/81/04/87/322810487.db2.gz RGZSQWQPBWRIAQ-LSDHHAIUSA-N 0 0 222.372 4.230 50 0 endogenous,in-man BIAARN CNc1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000001627415 388587188 /nfs/dbraw/zinc/58/71/88/388587188.db2.gz NGLDRQSSOKKORP-NTCAYCPXSA-N 0 0 233.314 4.296 50 0 BIAARN C1CCc2c(c3c(c4c2CCCC4)CCCC3)C1 ZINC000001634229 383915271 /nfs/dbraw/zinc/91/52/71/383915271.db2.gz ODHYDPYRIQKHCI-UHFFFAOYSA-N 0 0 240.390 4.323 50 0 BIAARN CC1=CC[C@H](C(C)(C)c2ccc(O)cc2)CC1 ZINC000001635574 168120695 /nfs/dbraw/zinc/12/06/95/168120695.db2.gz SEBWBEOHONFRHT-ZDUSSCGKSA-N 0 0 230.351 4.416 50 0 BIAARN CCCSCCCCSCCC ZINC000001635582 169339167 /nfs/dbraw/zinc/33/91/67/169339167.db2.gz NKVHHVXGFXBRPN-UHFFFAOYSA-N 0 0 206.420 4.053 50 0 BIAARN c1ccc(CCSc2ccccc2)cc1 ZINC000001635637 183394786 /nfs/dbraw/zinc/39/47/86/183394786.db2.gz VRWWJIACGVONTQ-UHFFFAOYSA-N 0 0 214.333 4.021 50 0 BIAARN c1ccc(CCCSc2ccccc2)cc1 ZINC000001635638 183391787 /nfs/dbraw/zinc/39/17/87/183391787.db2.gz UJRJBPIWQWWQMB-UHFFFAOYSA-N 0 0 228.360 4.412 50 0 BIAARN CC[C@@H](C)c1ccc(O)c([C@@H](C)CC)c1 ZINC000001640029 385614040 /nfs/dbraw/zinc/61/40/40/385614040.db2.gz JERZAOOJWPHIDG-MNOVXSKESA-N 0 0 206.329 4.419 50 0 BIAARN CC[C@H](C)c1ccc(O)c([C@@H](C)CC)c1 ZINC000001640030 385614112 /nfs/dbraw/zinc/61/41/12/385614112.db2.gz JERZAOOJWPHIDG-QWRGUYRKSA-N 0 0 206.329 4.419 50 0 BIAARN CC[C@@H](C)c1ccc(O)c([C@H](C)CC)c1 ZINC000001640031 385615518 /nfs/dbraw/zinc/61/55/18/385615518.db2.gz JERZAOOJWPHIDG-GHMZBOCLSA-N 0 0 206.329 4.419 50 0 BIAARN CC[C@@H](C)c1cc([C@@H](C)CC)ccc1O ZINC000001640032 385615451 /nfs/dbraw/zinc/61/54/51/385615451.db2.gz JERZAOOJWPHIDG-WDEREUQCSA-N 0 0 206.329 4.419 50 0 BIAARN CCCCOc1ccc(OCCCC)cc1 ZINC000001641138 342706782 /nfs/dbraw/zinc/70/67/82/342706782.db2.gz ZROGCHDPRZRKTI-UHFFFAOYSA-N 0 0 222.328 4.044 50 0 BIAARN Clc1sc2ccccc2c1Cl ZINC000001641178 342706933 /nfs/dbraw/zinc/70/69/33/342706933.db2.gz ACKJNFZJNNOLCP-UHFFFAOYSA-N 0 0 203.093 4.208 50 0 BIAARN O=C(c1coc(-c2ccccc2)c1)c1ccccc1 ZINC000001662200 342707404 /nfs/dbraw/zinc/70/74/04/342707404.db2.gz PNKYTBAITHUYKB-UHFFFAOYSA-N 0 0 248.281 4.178 50 0 BIAARN CC1(C)c2ccccc2Nc2ccccc21 ZINC000001669451 383918761 /nfs/dbraw/zinc/91/87/61/383918761.db2.gz JSEQNGYLWKBMJI-UHFFFAOYSA-N 0 0 209.292 4.070 50 0 BIAARN ClC(Cl)(c1ccccc1)c1ccccc1 ZINC000001670021 180569037 /nfs/dbraw/zinc/56/90/37/180569037.db2.gz OPTDDWCXQQYKGU-UHFFFAOYSA-N 0 0 237.129 4.365 50 0 in-vitro BIAARN Brc1ccc(Cc2ccccc2)cc1 ZINC000001670367 166098441 /nfs/dbraw/zinc/09/84/41/166098441.db2.gz NNEOYCMCJMLRSD-UHFFFAOYSA-N 0 0 247.135 4.040 50 0 BIAARN Clc1ccccc1Oc1ccccc1 ZINC000001671492 342707994 /nfs/dbraw/zinc/70/79/94/342707994.db2.gz IPBRZLMGGXHHMS-UHFFFAOYSA-N 0 0 204.656 4.132 50 0 BIAARN Oc1ccc(-c2ccc3ccccc3c2)cc1 ZINC000001671629 183264867 /nfs/dbraw/zinc/26/48/67/183264867.db2.gz NIRHUNSXEDESLN-UHFFFAOYSA-N 0 0 220.271 4.212 50 0 in-vivo BIAARN c1ccc(CCc2nc3ccccc3s2)cc1 ZINC000001672443 183394919 /nfs/dbraw/zinc/39/49/19/183394919.db2.gz VOSDXZQHHPRCQX-UHFFFAOYSA-N 0 0 239.343 4.082 50 0 BIAARN Cc1ccc(C(F)(F)c2ccccc2)cc1 ZINC000001673739 178456070 /nfs/dbraw/zinc/45/60/70/178456070.db2.gz XRPWOFFDNMCYGY-UHFFFAOYSA-N 0 0 218.246 4.135 50 0 BIAARN c1ccc2c(c1)-c1cccc3c1[C@H]2CCC3 ZINC000001674632 183440812 /nfs/dbraw/zinc/44/08/12/183440812.db2.gz VMBZUGDYWLFLEU-HNNXBMFYSA-N 0 0 206.288 4.135 50 0 BIAARN c1cc2ccc3c4c2c(c1)CC[C@H]4CCC3 ZINC000001674633 183374254 /nfs/dbraw/zinc/37/42/54/183374254.db2.gz AEFBNJXWRHSZGO-CQSZACIVSA-N 0 0 208.304 4.206 50 0 BIAARN Cc1cc(-c2ccccc2)nc2ccccc12 ZINC000001675598 177685189 /nfs/dbraw/zinc/68/51/89/177685189.db2.gz LPDYVLMKILCHDE-UHFFFAOYSA-N 0 0 219.287 4.210 50 0 BIAARN CCCC[C@@H](c1ccccc1)c1ccccn1 ZINC000001675602 168975323 /nfs/dbraw/zinc/97/53/23/168975323.db2.gz ONMANTGELZYJGH-HNNXBMFYSA-N 0 0 225.335 4.404 50 0 BIAARN CCCCCCOc1ccc(Cl)cc1 ZINC000001676336 342708277 /nfs/dbraw/zinc/70/82/77/342708277.db2.gz NHRQHXRDQZDFIO-UHFFFAOYSA-N 0 0 212.720 4.299 50 0 BIAARN Clc1sc(Cl)c(Cl)c1Cl ZINC000001676914 342708171 /nfs/dbraw/zinc/70/81/71/342708171.db2.gz WZXXZHONLFRKGG-UHFFFAOYSA-N 0 0 221.923 4.362 50 0 BIAARN CCCCCC[C@H]1OC[C@@H](c2ccccc2)O1 ZINC000001677045 342708375 /nfs/dbraw/zinc/70/83/75/342708375.db2.gz KTOWLVSBAQAKPG-GJZGRUSLSA-N 0 0 234.339 4.071 50 0 BIAARN CCCCCC[C@@H]1OC[C@@H](c2ccccc2)O1 ZINC000001677046 168676536 /nfs/dbraw/zinc/67/65/36/168676536.db2.gz KTOWLVSBAQAKPG-LSDHHAIUSA-N 0 0 234.339 4.071 50 0 BIAARN CCCCCC[C@H]1OC[C@H](c2ccccc2)O1 ZINC000001677047 342708302 /nfs/dbraw/zinc/70/83/02/342708302.db2.gz KTOWLVSBAQAKPG-CABCVRRESA-N 0 0 234.339 4.071 50 0 BIAARN CCCCCC[C@@H]1OC[C@H](c2ccccc2)O1 ZINC000001677048 342708266 /nfs/dbraw/zinc/70/82/66/342708266.db2.gz KTOWLVSBAQAKPG-HUUCEWRRSA-N 0 0 234.339 4.071 50 0 BIAARN CCCC(=O)OC/C=C(\C)CCC=C(C)C ZINC000001677814 342708460 /nfs/dbraw/zinc/70/84/60/342708460.db2.gz ZSBOMYJPSRFZAL-JLHYYAGUSA-N 0 0 224.344 4.022 50 0 biogenic,in-vitro BIAARN CCCC(=O)OCC[C@@H](C)CCC=C(C)C ZINC000001677815 342708430 /nfs/dbraw/zinc/70/84/30/342708430.db2.gz XQPZQXTWYZAXAK-ZDUSSCGKSA-N 0 0 226.360 4.102 50 0 endogenous,in-man BIAARN Fc1c(F)c(F)c(-c2ccccc2)c(F)c1F ZINC000001678655 383920596 /nfs/dbraw/zinc/92/05/96/383920596.db2.gz BEKHDAJTCOSDPJ-UHFFFAOYSA-N 0 0 244.162 4.049 50 0 BIAARN O=C(c1ccccc1)c1ccc2ccccc2c1 ZINC000001680758 342708737 /nfs/dbraw/zinc/70/87/37/342708737.db2.gz SJNXJRVDSTZUFB-UHFFFAOYSA-N 0 0 232.282 4.071 50 0 BIAARN c1ccc(Cc2ccc3ccccc3c2)cc1 ZINC000001680759 387239575 /nfs/dbraw/zinc/23/95/75/387239575.db2.gz JASHTKAXQWIZGF-UHFFFAOYSA-N 0 0 218.299 4.431 50 0 BIAARN CC1(C)c2ccccc2N=C1c1ccccc1 ZINC000001681679 383923246 /nfs/dbraw/zinc/92/32/46/383923246.db2.gz OVNJGKSNDVAJHA-UHFFFAOYSA-N 0 0 221.303 4.099 50 0 BIAARN FC(F)(F)c1cccc(Nc2ccccc2)c1 ZINC000001681986 383922781 /nfs/dbraw/zinc/92/27/81/383922781.db2.gz WJCRAVDPIMWFPG-UHFFFAOYSA-N 0 0 237.224 4.449 50 0 BIAARN Clc1ccc(Sc2ccccc2)cc1 ZINC000001682106 342708722 /nfs/dbraw/zinc/70/87/22/342708722.db2.gz RKMZTRDJSKGOCM-UHFFFAOYSA-N 0 0 220.724 4.491 50 0 BIAARN CCCCCC[C@@]1(C)OC[C@@H](c2ccccc2)O1 ZINC000001682271 168677055 /nfs/dbraw/zinc/67/70/55/168677055.db2.gz ZYMAQLGBEVTHJC-HOTGVXAUSA-N 0 0 248.366 4.461 50 0 BIAARN CCCCCC[C@]1(C)OC[C@@H](c2ccccc2)O1 ZINC000001682272 168680607 /nfs/dbraw/zinc/68/06/07/168680607.db2.gz ZYMAQLGBEVTHJC-JKSUJKDBSA-N 0 0 248.366 4.461 50 0 BIAARN CCCCCC[C@@]1(C)OC[C@H](c2ccccc2)O1 ZINC000001682273 342708841 /nfs/dbraw/zinc/70/88/41/342708841.db2.gz ZYMAQLGBEVTHJC-CVEARBPZSA-N 0 0 248.366 4.461 50 0 BIAARN CCCCCC[C@]1(C)OC[C@H](c2ccccc2)O1 ZINC000001682274 342708759 /nfs/dbraw/zinc/70/87/59/342708759.db2.gz ZYMAQLGBEVTHJC-HZPDHXFCSA-N 0 0 248.366 4.461 50 0 BIAARN Fc1ccc2nc(-c3ccccc3)sc2c1 ZINC000001682939 180991441 /nfs/dbraw/zinc/99/14/41/180991441.db2.gz MBDZJNBYKCQZLG-UHFFFAOYSA-N 0 0 229.279 4.102 50 0 BIAARN ClC(Cl)=C(Cl)C(Cl)(Cl)Cl ZINC000001683465 342709024 /nfs/dbraw/zinc/70/90/24/342709024.db2.gz VFDYKPARTDCDCU-UHFFFAOYSA-N 0 0 248.751 4.242 50 0 BIAARN Cc1ccc(C)n1CCCCn1c(C)ccc1C ZINC000001683959 342709097 /nfs/dbraw/zinc/70/90/97/342709097.db2.gz OFTHAYNMJIBXNA-UHFFFAOYSA-N 0 0 244.382 4.004 50 0 BIAARN Clc1ccc2c(c1)Cc1ccccc1S2 ZINC000001685277 350810630 /nfs/dbraw/zinc/81/06/30/350810630.db2.gz HRJYGQAACVZSEO-UHFFFAOYSA-N 0 0 232.735 4.395 50 0 BIAARN c1cc(-c2ccccc2)[nH]c1-c1ccccc1 ZINC000001686759 183379880 /nfs/dbraw/zinc/37/98/80/183379880.db2.gz RJCRXUOYULQDPG-UHFFFAOYSA-N 0 0 219.287 4.349 50 0 BIAARN CC(C)(C)CC(C)(C)c1ccc(O)cc1 ZINC000001686938 342709239 /nfs/dbraw/zinc/70/92/39/342709239.db2.gz ISAVYTVYFVQUDY-UHFFFAOYSA-N 0 0 206.329 4.106 50 0 endogenous,investigational BIAARN Clc1ccccc1C(Cl)(Cl)Cl ZINC000001689766 180593700 /nfs/dbraw/zinc/59/37/00/180593700.db2.gz MFHPYLFZSCSNST-UHFFFAOYSA-N 0 0 229.921 4.167 50 0 in-vitro BIAARN CCCC[C@H](CC)C[C@@H]1CCCC[C@H]1O ZINC000001690330 342709433 /nfs/dbraw/zinc/70/94/33/342709433.db2.gz NAPNXSKYWJFVIE-MELADBBJSA-N 0 0 212.377 4.144 50 0 BIAARN CCCC[C@@H](CC)CC[C@H](O)CC(C)C ZINC000001690332 342709535 /nfs/dbraw/zinc/70/95/35/342709535.db2.gz JKKBSZCOVNFRCQ-KGLIPLIRSA-N 0 0 214.393 4.390 50 0 BIAARN CCCC[C@H](CC)CC[C@H](O)CC(C)C ZINC000001690333 342709564 /nfs/dbraw/zinc/70/95/64/342709564.db2.gz JKKBSZCOVNFRCQ-KBPBESRZSA-N 0 0 214.393 4.390 50 0 BIAARN CCCC[C@@H](CC)CC[C@@H](O)CC(C)C ZINC000001690334 342709459 /nfs/dbraw/zinc/70/94/59/342709459.db2.gz JKKBSZCOVNFRCQ-ZIAGYGMSSA-N 0 0 214.393 4.390 50 0 BIAARN CCCC[C@H](CC)CC[C@@H](O)CC(C)C ZINC000001690335 168997498 /nfs/dbraw/zinc/99/74/98/168997498.db2.gz JKKBSZCOVNFRCQ-UONOGXRCSA-N 0 0 214.393 4.390 50 0 BIAARN FC(F)(F)c1cc(Cl)ccc1Cl ZINC000001690420 180891296 /nfs/dbraw/zinc/89/12/96/180891296.db2.gz DYBYUWVMLBBEMA-UHFFFAOYSA-N 0 0 215.001 4.012 50 0 BIAARN O=C(CCc1ccccc1)c1ccc(Cl)cc1 ZINC000001690837 342709559 /nfs/dbraw/zinc/70/95/59/342709559.db2.gz GQNOPFDKLUGQEC-UHFFFAOYSA-N 0 0 244.721 4.156 50 0 BIAARN COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000001693494 175067714 /nfs/dbraw/zinc/06/77/14/175067714.db2.gz BFIGIIVGUAIVOL-UHFFFAOYSA-N 0 0 220.356 4.409 50 0 BIAARN Cc1cc(C(C)(C)CC(C)(C)C)ccc1O ZINC000001693903 383925710 /nfs/dbraw/zinc/92/57/10/383925710.db2.gz DYKCNMUCTREDMF-UHFFFAOYSA-N 0 0 220.356 4.414 50 0 BIAARN Brc1ccccc1-c1ccccc1 ZINC000001694408 166101363 /nfs/dbraw/zinc/10/13/63/166101363.db2.gz KTADSLDAUJLZGL-UHFFFAOYSA-N 0 0 233.108 4.116 50 0 BIAARN Brc1ccc(C2CCCCC2)cc1 ZINC000001694410 166098021 /nfs/dbraw/zinc/09/80/21/166098021.db2.gz LVIJLEREXMVRAN-UHFFFAOYSA-N 0 0 239.156 4.497 50 0 BIAARN CC1=CC[C@@H]([C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000001694894 168119064 /nfs/dbraw/zinc/11/90/64/168119064.db2.gz WSZBBEBJRASQNV-DZGCQCFKSA-N 0 0 230.351 4.317 50 0 BIAARN CC1=CC[C@H]([C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000001694895 168121728 /nfs/dbraw/zinc/12/17/28/168121728.db2.gz WSZBBEBJRASQNV-ZFWWWQNUSA-N 0 0 230.351 4.317 50 0 BIAARN CC1=CC[C@@H]([C@H](C)Cc2ccc(O)cc2)CC1 ZINC000001694896 168119088 /nfs/dbraw/zinc/11/90/88/168119088.db2.gz WSZBBEBJRASQNV-UKRRQHHQSA-N 0 0 230.351 4.317 50 0 BIAARN CC1=CC[C@H]([C@H](C)Cc2ccc(O)cc2)CC1 ZINC000001694897 168121746 /nfs/dbraw/zinc/12/17/46/168121746.db2.gz WSZBBEBJRASQNV-HIFRSBDPSA-N 0 0 230.351 4.317 50 0 BIAARN O=C(CCCCc1ccccc1)c1ccccc1 ZINC000001695218 342709687 /nfs/dbraw/zinc/70/96/87/342709687.db2.gz DBLFABLNCUNXAR-UHFFFAOYSA-N 0 0 238.330 4.282 50 0 BIAARN Oc1ccc([C@@H]2C=CCC2)cc1[C@@H]1C=CCC1 ZINC000001699279 188274265 /nfs/dbraw/zinc/27/42/65/188274265.db2.gz YXDQGDRZWGIFLJ-CHWSQXEVSA-N 0 0 226.319 4.259 50 0 BIAARN Oc1ccc([C@@H]2C=CCC2)cc1[C@H]1C=CCC1 ZINC000001699280 388831206 /nfs/dbraw/zinc/83/12/06/388831206.db2.gz YXDQGDRZWGIFLJ-OLZOCXBDSA-N 0 0 226.319 4.259 50 0 BIAARN Oc1ccc([C@H]2C=CCC2)cc1[C@@H]1C=CCC1 ZINC000001699281 183277742 /nfs/dbraw/zinc/27/77/42/183277742.db2.gz YXDQGDRZWGIFLJ-QWHCGFSZSA-N 0 0 226.319 4.259 50 0 BIAARN Oc1ccc([C@H]2C=CCC2)cc1[C@H]1C=CCC1 ZINC000001699282 183278124 /nfs/dbraw/zinc/27/81/24/183278124.db2.gz YXDQGDRZWGIFLJ-STQMWFEESA-N 0 0 226.319 4.259 50 0 BIAARN Fc1c(Cl)c(F)c(Cl)c(F)c1Cl ZINC000001701567 342709910 /nfs/dbraw/zinc/70/99/10/342709910.db2.gz QPXZZPSKCVNHFW-UHFFFAOYSA-N 0 0 235.419 4.064 50 0 in-vitro BIAARN ClC1(Cl)c2ccccc2-c2ccccc21 ZINC000001703098 180568897 /nfs/dbraw/zinc/56/88/97/180568897.db2.gz LSTBDYVWQHHYHU-UHFFFAOYSA-N 0 0 235.113 4.346 50 0 BIAARN CCCCN(CCCC)C(=O)Nc1ccccc1 ZINC000001703763 383925918 /nfs/dbraw/zinc/92/59/18/383925918.db2.gz VLAGNIMOLLTGGE-UHFFFAOYSA-N 0 0 248.370 4.121 50 0 BIAARN O=C1c2ccccc2-c2cc3ccccc3cc21 ZINC000001704033 383925846 /nfs/dbraw/zinc/92/58/46/383925846.db2.gz MLMNDNOSVOKYMT-UHFFFAOYSA-N 0 0 230.266 4.051 50 0 BIAARN c1[nH]c(-c2ccccc2)cc1-c1ccccc1 ZINC000001705899 183378839 /nfs/dbraw/zinc/37/88/39/183378839.db2.gz FSBPQTRUHOMNPG-UHFFFAOYSA-N 0 0 219.287 4.349 50 0 BIAARN CC(C)C(c1ccccc1)c1ccccc1 ZINC000001709882 356365155 /nfs/dbraw/zinc/36/51/55/356365155.db2.gz WYYWMBKUPQWNRU-UHFFFAOYSA-N 0 0 210.320 4.475 50 0 BIAARN ClC1=CC2c3ccccc3C1c1ccccc12 ZINC000001712291 356365158 /nfs/dbraw/zinc/36/51/58/356365158.db2.gz SYZTYABTKLVWAU-UHFFFAOYSA-N 0 0 238.717 4.400 50 0 BIAARN Cc1c(-c2ccccc2)c2ccccc2n1C ZINC000001713275 177551751 /nfs/dbraw/zinc/55/17/51/177551751.db2.gz KAHXOUCASDDHSW-UHFFFAOYSA-N 0 0 221.303 4.154 50 0 BIAARN c1oc(-c2ccccc2)nc1-c1ccccc1 ZINC000001715098 183382394 /nfs/dbraw/zinc/38/23/94/183382394.db2.gz VUPXKQHLZATXTR-UHFFFAOYSA-N 0 0 221.259 4.009 50 0 BIAARN Cc1ccc2nc(C(F)(F)F)cc(Cl)c2c1 ZINC000001717150 342710920 /nfs/dbraw/zinc/71/09/20/342710920.db2.gz ZLSXNETUGWRDSH-UHFFFAOYSA-N 0 0 245.631 4.215 50 0 BIAARN Clc1ccc2c(Cl)cc(Cl)nc2c1 ZINC000001718723 180585609 /nfs/dbraw/zinc/58/56/09/180585609.db2.gz NIESTINBJGQKPB-UHFFFAOYSA-N 0 0 232.497 4.195 50 0 BIAARN Clc1cc(Cl)c(Cl)c(Cl)c1 ZINC000001719222 342711165 /nfs/dbraw/zinc/71/11/65/342711165.db2.gz QZYNWJQFTJXIRN-UHFFFAOYSA-N 0 0 215.894 4.300 50 0 in-vitro BIAARN c1ccc(C(c2ccccc2)C2CSC2)cc1 ZINC000001721967 183387550 /nfs/dbraw/zinc/38/75/50/183387550.db2.gz UTYFWYHWSSJDTH-UHFFFAOYSA-N 0 0 240.371 4.182 50 0 BIAARN Cc1[nH]c2ccccc2c1-c1ccccc1 ZINC000001722225 342711038 /nfs/dbraw/zinc/71/10/38/342711038.db2.gz FLOZFGKBZCCIHS-UHFFFAOYSA-N 0 0 207.276 4.143 50 0 BIAARN c1ccc2c(c1)[nH]c1cc3c(cc12)CCCC3 ZINC000001722652 385077118 /nfs/dbraw/zinc/07/71/18/385077118.db2.gz UGDMNHLHRPPNBC-UHFFFAOYSA-N 0 0 221.303 4.200 50 0 BIAARN c1[nH]c2ccccc2c1-c1c[nH]c2ccccc12 ZINC000001723297 183436638 /nfs/dbraw/zinc/43/66/38/183436638.db2.gz WHJMXLYLQPXPSY-UHFFFAOYSA-N 0 0 232.286 4.316 50 0 BIAARN CC(C)c1ccc([C@@H]2CCCCC2=O)cc1 ZINC000001724291 342711473 /nfs/dbraw/zinc/71/14/73/342711473.db2.gz ALUSOLIOHPWGNL-AWEZNQCLSA-N 0 0 216.324 4.037 50 0 BIAARN CCN(CC)c1ccc2c(c1)Cc1ccccc1-2 ZINC000001724414 169805146 /nfs/dbraw/zinc/80/51/46/169805146.db2.gz MOWSEYAQZPEENW-UHFFFAOYSA-N 0 0 237.346 4.104 50 0 BIAARN c1ccc(CN2CCCCc3ccccc32)cc1 ZINC000001728249 183398783 /nfs/dbraw/zinc/39/87/83/183398783.db2.gz HAVYCYXLAGCLGF-UHFFFAOYSA-N 0 0 237.346 4.030 50 0 BIAARN COc1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000001730576 175048129 /nfs/dbraw/zinc/04/81/29/175048129.db2.gz GESIZRSIANBQLM-NTCAYCPXSA-N 0 0 234.298 4.263 50 0 BIAARN CC(C)(C)c1ccc(O)c(-c2ccccc2)c1 ZINC000001733616 342711535 /nfs/dbraw/zinc/71/15/35/342711535.db2.gz IYPYKRAEQZVXSC-UHFFFAOYSA-N 0 0 226.319 4.357 50 0 BIAARN O=C(Nc1ccccc1)Sc1ccccc1 ZINC000001742316 383932615 /nfs/dbraw/zinc/93/26/15/383932615.db2.gz UYPBGBOVAQEVJH-UHFFFAOYSA-N 0 0 229.304 4.011 50 0 BIAARN CCOP(=O)(OCC)[C@H](C)c1ccccc1 ZINC000001755582 383934044 /nfs/dbraw/zinc/93/40/44/383934044.db2.gz FODNNPZZKXOLLX-LLVKDONJSA-N 0 0 242.255 4.014 50 0 BIAARN CCCCOP(=O)(CCC)OCCCC ZINC000001756529 342712360 /nfs/dbraw/zinc/71/23/60/342712360.db2.gz XCUMIEFHVASVMQ-UHFFFAOYSA-N 0 0 236.292 4.223 50 0 BIAARN CC(=O)c1cc2c(cc1F)C(C)(C)CCC2(C)C ZINC000001758684 166450407 /nfs/dbraw/zinc/45/04/07/166450407.db2.gz IEUHBZDFJKSUPI-UHFFFAOYSA-N 0 0 248.341 4.377 50 0 BIAARN Cc1cc2c(cc1C=O)C(C)(C)CCC2(C)C ZINC000001758691 178288885 /nfs/dbraw/zinc/28/88/85/178288885.db2.gz JEJZFUVABODMHT-UHFFFAOYSA-N 0 0 230.351 4.157 50 0 BIAARN COc1cc(C)cc2c1C(C)(C)CCC2(C)C ZINC000001758697 351312637 /nfs/dbraw/zinc/31/26/37/351312637.db2.gz ZHZCSOFYUGAJBH-UHFFFAOYSA-N 0 0 232.367 4.353 50 0 BIAARN Cc1csc(=S)n1-c1ccc(Cl)cc1 ZINC000001759682 342712269 /nfs/dbraw/zinc/71/22/69/342712269.db2.gz LDTWIYPVOUYRNT-UHFFFAOYSA-N 0 0 241.768 4.230 50 0 BIAARN Clc1ccc(Nc2ccccc2)cc1 ZINC000001759774 342712352 /nfs/dbraw/zinc/71/23/52/342712352.db2.gz VPRIGCVCJPKVFZ-UHFFFAOYSA-N 0 0 203.672 4.084 50 0 BIAARN CC(C)(C)P(c1ccccc1)C(C)(C)C ZINC000001765039 342712421 /nfs/dbraw/zinc/71/24/21/342712421.db2.gz XOJNEFQLMRCOMS-UHFFFAOYSA-N 0 0 222.312 4.391 50 0 BIAARN CCCOC(=O)Nc1c(C)cccc1C(C)C ZINC000001766752 169298679 /nfs/dbraw/zinc/29/86/79/169298679.db2.gz QYYKNHJAZWYDGS-UHFFFAOYSA-N 0 0 235.327 4.077 50 0 BIAARN CCCCN(CCCC)C(=O)c1ccccc1C ZINC000001768561 136207482 /nfs/dbraw/zinc/20/74/82/136207482.db2.gz WCIGOPWNVVZWOT-UHFFFAOYSA-N 0 0 247.382 4.037 50 0 BIAARN CCCC(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000001768579 342712546 /nfs/dbraw/zinc/71/25/46/342712546.db2.gz GXDIDDARPBFKNG-UHFFFAOYSA-N 0 0 242.318 4.030 50 0 in-vitro BIAARN CCCCOC(=O)Nc1ccc(C(C)C)cc1 ZINC000001770650 383936275 /nfs/dbraw/zinc/93/62/75/383936275.db2.gz ANEVNTVNBOUJDP-UHFFFAOYSA-N 0 0 235.327 4.159 50 0 BIAARN CCCCC(=O)Nc1c(C)cc(C)cc1Cl ZINC000001777581 566326387 /nfs/dbraw/zinc/32/63/87/566326387.db2.gz AQUKDMWAWDJVSM-UHFFFAOYSA-N 0 0 239.746 4.086 50 0 BIAARN FC(F)C(F)(F)Oc1ccc2ccccc2c1 ZINC000001841014 342712951 /nfs/dbraw/zinc/71/29/51/342712951.db2.gz WIZIHZWINSXQHH-UHFFFAOYSA-N 0 0 244.187 4.077 50 0 BIAARN Nc1ccc2c3c(cccc31)-c1ccccc1-2 ZINC000001841840 342712875 /nfs/dbraw/zinc/71/28/75/342712875.db2.gz VHGJAFIHUSTRGB-UHFFFAOYSA-N 0 0 217.271 4.069 50 0 BIAARN O=C(c1ccccc1)c1cccc2ccccc21 ZINC000001845878 342712906 /nfs/dbraw/zinc/71/29/06/342712906.db2.gz CXAYOCVHDCXPAI-UHFFFAOYSA-N 0 0 232.282 4.071 50 0 BIAARN Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000001845965 383938824 /nfs/dbraw/zinc/93/88/24/383938824.db2.gz ZZZRZBIPCKQDQR-UHFFFAOYSA-N 0 0 220.356 4.296 50 0 BIAARN C/C=C/CC(C/C=C/C)c1ccccn1 ZINC000001846682 188335052 /nfs/dbraw/zinc/33/50/52/188335052.db2.gz XFZKOJSWZJWDEK-GGWOSOGESA-N 0 0 201.313 4.098 50 0 BIAARN C/C=C/CC(C/C=C/C)c1ccncc1 ZINC000001846688 187926000 /nfs/dbraw/zinc/92/60/00/187926000.db2.gz ABNCIWHCOXTEEZ-GGWOSOGESA-N 0 0 201.313 4.098 50 0 BIAARN CCc1cc(CC)c(Br)c(CC)c1 ZINC000001848545 171757184 /nfs/dbraw/zinc/75/71/84/171757184.db2.gz GYPGUOPEQLYKQZ-UHFFFAOYSA-N 0 0 241.172 4.136 50 0 BIAARN CC(C)=CCC[C@@](C)(O)[C@@H]1CC=C(C)CC1 ZINC000001849758 342713002 /nfs/dbraw/zinc/71/30/02/342713002.db2.gz RGZSQWQPBWRIAQ-HUUCEWRRSA-N 0 0 222.372 4.230 50 0 biogenic,in-man BIAARN CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1 ZINC000001849759 383938138 /nfs/dbraw/zinc/93/81/38/383938138.db2.gz RGZSQWQPBWRIAQ-CABCVRRESA-N 0 0 222.372 4.230 50 0 endogenous,world BIAARN CCCC(=O)OC/C=C(/C)CCC=C(C)C ZINC000001850911 574411609 /nfs/dbraw/zinc/41/16/09/574411609.db2.gz ZSBOMYJPSRFZAL-RAXLEYEMSA-N 0 0 224.344 4.022 50 0 endogenous,in-man BIAARN CCCCN(CCCC)c1ccccc1 ZINC000001850961 383938576 /nfs/dbraw/zinc/93/85/76/383938576.db2.gz FZPXKEPZZOEPGX-UHFFFAOYSA-N 0 0 205.345 4.093 50 0 BIAARN COc1ccc(Nc2cccc(Cl)c2)cc1 ZINC000001868478 187301661 /nfs/dbraw/zinc/30/16/61/187301661.db2.gz RLYZADXEMJGKGV-UHFFFAOYSA-N 0 0 233.698 4.092 50 0 BIAARN FC(F)(F)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000001869947 387849587 /nfs/dbraw/zinc/84/95/87/387849587.db2.gz HINYVRIEKBPDTJ-UHFFFAOYSA-N 0 0 239.240 4.066 50 0 BIAARN CCCn1c2ccccc2c2ccccc21 ZINC000001872695 169615035 /nfs/dbraw/zinc/61/50/35/169615035.db2.gz QAWLNVOLYNXWPL-UHFFFAOYSA-N 0 0 209.292 4.205 50 0 BIAARN c1ccc(CSCc2ccccc2)cc1 ZINC000001874356 383940846 /nfs/dbraw/zinc/94/08/46/383940846.db2.gz LUFPJJNWMYZRQE-UHFFFAOYSA-N 0 0 214.333 4.120 50 0 biogenic,in-vitro BIAARN c1ccc(Cc2cccc3ccccc32)cc1 ZINC000001999367 383943811 /nfs/dbraw/zinc/94/38/11/383943811.db2.gz KTHUKEZOIFYPEH-UHFFFAOYSA-N 0 0 218.299 4.431 50 0 BIAARN CC(C)n1c2ccccc2c2ccccc21 ZINC000002003980 342714144 /nfs/dbraw/zinc/71/41/44/342714144.db2.gz LSZJZNNASZFXKN-UHFFFAOYSA-N 0 0 209.292 4.375 50 0 BIAARN Clc1ccc2c(c1)Oc1ccccc1O2 ZINC000002007515 346098573 /nfs/dbraw/zinc/09/85/73/346098573.db2.gz GIUGGRUEPHPVNR-UHFFFAOYSA-N 0 0 218.639 4.238 50 0 BIAARN Brc1ccccc1Oc1ccccc1 ZINC000002008390 166103183 /nfs/dbraw/zinc/10/31/83/166103183.db2.gz RRWFUWRLNIZICP-UHFFFAOYSA-N 0 0 249.107 4.241 50 0 BIAARN CC/C=C/CCCCCCCCOC(C)=O ZINC000002009361 528768913 /nfs/dbraw/zinc/76/89/13/528768913.db2.gz MFFQOUCMBNXSBK-SNAWJCMRSA-N 0 0 226.360 4.246 50 0 BIAARN CC/C=C/CCCCCCCCCCO ZINC000002009890 191114478 /nfs/dbraw/zinc/11/44/78/191114478.db2.gz YGHAIPJLMYTNAI-ONEGZZNKSA-N 0 0 212.377 4.456 50 0 BIAARN Oc1ccc(/C=C/C=C/c2ccccc2)cc1 ZINC000002023296 183265725 /nfs/dbraw/zinc/26/57/25/183265725.db2.gz VYFPDCCLCOGZFV-KBXRYBNXSA-N 0 0 222.287 4.119 50 0 BIAARN CC1=C(C)[C@]2(C)CCCC(C)(C)C2=CC1=O ZINC000002023418 168086754 /nfs/dbraw/zinc/08/67/54/168086754.db2.gz YHGVJXSTFAXJDV-HNNXBMFYSA-N 0 0 218.340 4.048 50 0 BIAARN CCCCOc1ccccc1OCCCC ZINC000002027332 168921551 /nfs/dbraw/zinc/92/15/51/168921551.db2.gz GHKFGRVGAQYZNT-UHFFFAOYSA-N 0 0 222.328 4.044 50 0 BIAARN CCCC(C)(C)C(=O)Nc1ccc(Cl)cc1 ZINC000002029332 168572145 /nfs/dbraw/zinc/57/21/45/168572145.db2.gz KXGYBSNVFXBPNO-UHFFFAOYSA-N 0 0 239.746 4.105 50 0 in-vitro BIAARN Brc1ccccc1Cc1ccccc1 ZINC000002031115 166103463 /nfs/dbraw/zinc/10/34/63/166103463.db2.gz DLCYFIIONMLNAJ-UHFFFAOYSA-N 0 0 247.135 4.040 50 0 BIAARN CCOP(=O)(OCC)[C@@H](C)c1ccccc1 ZINC000002033753 383946880 /nfs/dbraw/zinc/94/68/80/383946880.db2.gz FODNNPZZKXOLLX-NSHDSACASA-N 0 0 242.255 4.014 50 0 BIAARN C[C@H]1C[C@@H](c2ccccc2)c2ccccc21 ZINC000002033953 177339652 /nfs/dbraw/zinc/33/96/52/177339652.db2.gz JHIDJKSBZPNVKZ-LRDDRELGSA-N 0 0 208.304 4.326 50 0 BIAARN C[C@@H]1C[C@@H](c2ccccc2)c2ccccc21 ZINC000002033954 187317488 /nfs/dbraw/zinc/31/74/88/187317488.db2.gz JHIDJKSBZPNVKZ-WBMJQRKESA-N 0 0 208.304 4.326 50 0 BIAARN C[C@H]1C[C@H](c2ccccc2)c2ccccc21 ZINC000002033955 177375380 /nfs/dbraw/zinc/37/53/80/177375380.db2.gz JHIDJKSBZPNVKZ-BLLLJJGKSA-N 0 0 208.304 4.326 50 0 BIAARN C[C@@H]1C[C@H](c2ccccc2)c2ccccc21 ZINC000002033956 387240177 /nfs/dbraw/zinc/24/01/77/387240177.db2.gz JHIDJKSBZPNVKZ-MLGOLLRUSA-N 0 0 208.304 4.326 50 0 BIAARN FC(F)(F)c1c(Cl)cccc1Cl ZINC000002034557 180891323 /nfs/dbraw/zinc/89/13/23/180891323.db2.gz MKSYCGMWKMMQPN-UHFFFAOYSA-N 0 0 215.001 4.012 50 0 BIAARN Cc1ccc(CCc2ccc(C)cc2)cc1 ZINC000002034878 178537781 /nfs/dbraw/zinc/53/77/81/178537781.db2.gz XCCQFUHBIRHLQT-UHFFFAOYSA-N 0 0 210.320 4.089 50 0 BIAARN CC(C)c1ccc([C@H]2CCCCC2=O)cc1 ZINC000002036377 342714941 /nfs/dbraw/zinc/71/49/41/342714941.db2.gz ALUSOLIOHPWGNL-CQSZACIVSA-N 0 0 216.324 4.037 50 0 BIAARN C/C=C(\C)C(=O)OC/C=C(\C)CCC=C(C)C ZINC000002036789 342714843 /nfs/dbraw/zinc/71/48/43/342714843.db2.gz OGHBUHJLMHQMHS-KRDNBFTESA-N 0 0 236.355 4.189 50 0 endogenous,in-man BIAARN C/C=C(/C)C(=O)OC/C=C(\C)CCC=C(C)C ZINC000002036790 342714963 /nfs/dbraw/zinc/71/49/63/342714963.db2.gz OGHBUHJLMHQMHS-NHXYFRIFSA-N 0 0 236.355 4.189 50 0 BIAARN Clc1ccc(C(Cl)(Cl)Cl)cc1 ZINC000002037358 383946714 /nfs/dbraw/zinc/94/67/14/383946714.db2.gz LVZPKYYPPLUECL-UHFFFAOYSA-N 0 0 229.921 4.167 50 0 BIAARN CC(C)=CCC/C(C)=C/COC(=O)CC(C)C ZINC000002038251 383947140 /nfs/dbraw/zinc/94/71/40/383947140.db2.gz SOUKTGNMIRUIQN-NTEUORMPSA-N 0 0 238.371 4.268 50 0 biogenic,in-vitro BIAARN CC(C)=CCC/C(C)=C\COC(=O)CC(C)C ZINC000002038252 574411759 /nfs/dbraw/zinc/41/17/59/574411759.db2.gz SOUKTGNMIRUIQN-ZROIWOOFSA-N 0 0 238.371 4.268 50 0 endogenous,in-man BIAARN CCCCSc1nc2ccccc2s1 ZINC000002038700 342715113 /nfs/dbraw/zinc/71/51/13/342715113.db2.gz PXSCUDKGNNWGBZ-UHFFFAOYSA-N 0 0 223.366 4.189 50 0 BIAARN C[C@@H](CCc1ccccc1)c1ccccc1 ZINC000002039482 175687014 /nfs/dbraw/zinc/68/70/14/175687014.db2.gz PDINXYLAVFUHSA-AWEZNQCLSA-N 0 0 210.320 4.423 50 0 BIAARN C[C@H](CCc1ccccc1)c1ccccc1 ZINC000002039483 176641596 /nfs/dbraw/zinc/64/15/96/176641596.db2.gz PDINXYLAVFUHSA-CQSZACIVSA-N 0 0 210.320 4.423 50 0 BIAARN CC(=O)c1cccc(/C=C/c2ccccc2)c1 ZINC000002039629 387354701 /nfs/dbraw/zinc/35/47/01/387354701.db2.gz VNUWQZDEKYVXSI-ZHACJKMWSA-N 0 0 222.287 4.060 50 0 BIAARN Cc1cc(O)c(C(C)(C)C)cc1C(C)(C)C ZINC000002040443 178196358 /nfs/dbraw/zinc/19/63/58/178196358.db2.gz WYSSJDOPILWQDC-UHFFFAOYSA-N 0 0 220.356 4.296 50 0 BIAARN CC1(C)SC(C)(C)SC(C)(C)S1 ZINC000002040666 342715155 /nfs/dbraw/zinc/71/51/55/342715155.db2.gz NBNWHQAWKFYFKI-UHFFFAOYSA-N 0 0 222.444 4.408 50 0 endogenous,in-man BIAARN CCCC(=O)OCC[C@H](C)CCC=C(C)C ZINC000002040977 342715164 /nfs/dbraw/zinc/71/51/64/342715164.db2.gz XQPZQXTWYZAXAK-CYBMUJFWSA-N 0 0 226.360 4.102 50 0 endogenous,in-man BIAARN Cc1cc(C)c(O)c(C2(C)CCCCC2)c1 ZINC000002041277 177866954 /nfs/dbraw/zinc/86/69/54/177866954.db2.gz MXSKJYLPNPYQHH-UHFFFAOYSA-N 0 0 218.340 4.231 50 0 BIAARN CCCC[C@H](c1ccccc1)c1ccccn1 ZINC000002045649 169012991 /nfs/dbraw/zinc/01/29/91/169012991.db2.gz ONMANTGELZYJGH-OAHLLOKOSA-N 0 0 225.335 4.404 50 0 BIAARN CCCC[C@@H](CC)COC(=O)c1ccccc1 ZINC000002046489 383947154 /nfs/dbraw/zinc/94/71/54/383947154.db2.gz UADWUILHKRXHMM-CYBMUJFWSA-N 0 0 234.339 4.060 50 0 BIAARN CC(C)=C1CC[C@]2(C)CCC[C@](C)(O)[C@H]2C1 ZINC000002048880 383948764 /nfs/dbraw/zinc/94/87/64/383948764.db2.gz STRABSCAWZINIF-KKUMJFAQSA-N 0 0 222.372 4.064 50 0 BIAARN CCCCC(=O)Nc1ccccc1[C@@H](C)CC ZINC000002052446 342715613 /nfs/dbraw/zinc/71/56/13/342715613.db2.gz YKNZCTVSEHIFAQ-LBPRGKRZSA-N 0 0 233.355 4.329 50 0 BIAARN CCCCC(=O)Nc1ccccc1[C@H](C)CC ZINC000002052447 342715566 /nfs/dbraw/zinc/71/55/66/342715566.db2.gz YKNZCTVSEHIFAQ-GFCCVEGCSA-N 0 0 233.355 4.329 50 0 BIAARN CC(=O)n1c2ccccc2c2cc(Cl)ccc21 ZINC000002054120 383949908 /nfs/dbraw/zinc/94/99/08/383949908.db2.gz PMSBNPQHYBIVLK-UHFFFAOYSA-N 0 0 243.693 4.108 50 0 BIAARN CCCCC(=O)Nc1c(Cl)cccc1Cl ZINC000002054195 346493322 /nfs/dbraw/zinc/49/33/22/346493322.db2.gz RGLLOFLNQXGALY-UHFFFAOYSA-N 0 0 246.137 4.122 50 0 BIAARN CCCC[C@@H](CC)C(=O)Nc1ccccc1C ZINC000002057613 342715514 /nfs/dbraw/zinc/71/55/14/342715514.db2.gz JYKAFSPZDYPNPY-CYBMUJFWSA-N 0 0 233.355 4.150 50 0 BIAARN CCCC[C@H](CC)C(=O)Nc1ccccc1C ZINC000002057614 342715641 /nfs/dbraw/zinc/71/56/41/342715641.db2.gz JYKAFSPZDYPNPY-ZDUSSCGKSA-N 0 0 233.355 4.150 50 0 BIAARN CCCCC(=O)Nc1cccc(Cl)c1Cl ZINC000002057648 342715505 /nfs/dbraw/zinc/71/55/05/342715505.db2.gz BBKXFAJDCXLPPT-UHFFFAOYSA-N 0 0 246.137 4.122 50 0 BIAARN CCCC[C@@H](CC)C(=O)Nc1ccc(C)cc1C ZINC000002057657 342715565 /nfs/dbraw/zinc/71/55/65/342715565.db2.gz MLTKJVPYVDKLDA-CQSZACIVSA-N 0 0 247.382 4.458 50 0 BIAARN CCCC[C@H](CC)C(=O)Nc1ccc(C)cc1C ZINC000002057658 342715562 /nfs/dbraw/zinc/71/55/62/342715562.db2.gz MLTKJVPYVDKLDA-AWEZNQCLSA-N 0 0 247.382 4.458 50 0 BIAARN CCCC[C@@H](CC)C(=O)Nc1ccccc1CC ZINC000002057676 342715549 /nfs/dbraw/zinc/71/55/49/342715549.db2.gz DCQMCRXJIOWOFU-CQSZACIVSA-N 0 0 247.382 4.404 50 0 BIAARN CCCC[C@H](CC)C(=O)Nc1ccccc1CC ZINC000002057677 168995199 /nfs/dbraw/zinc/99/51/99/168995199.db2.gz DCQMCRXJIOWOFU-AWEZNQCLSA-N 0 0 247.382 4.404 50 0 BIAARN CCCC[C@@H](CC)C(=O)Nc1cccc(C)c1C ZINC000002057780 168953451 /nfs/dbraw/zinc/95/34/51/168953451.db2.gz ALLUOZWDPFVPOO-CQSZACIVSA-N 0 0 247.382 4.458 50 0 BIAARN CCCC[C@H](CC)C(=O)Nc1cccc(C)c1C ZINC000002057781 342715630 /nfs/dbraw/zinc/71/56/30/342715630.db2.gz ALLUOZWDPFVPOO-AWEZNQCLSA-N 0 0 247.382 4.458 50 0 BIAARN CCCC[C@@H](CC)C(=O)Nc1cccc(C)c1 ZINC000002057788 168954632 /nfs/dbraw/zinc/95/46/32/168954632.db2.gz DKVPUDJGBIFWOX-CYBMUJFWSA-N 0 0 233.355 4.150 50 0 BIAARN CCCC[C@H](CC)C(=O)Nc1cccc(C)c1 ZINC000002057789 168994788 /nfs/dbraw/zinc/99/47/88/168994788.db2.gz DKVPUDJGBIFWOX-ZDUSSCGKSA-N 0 0 233.355 4.150 50 0 BIAARN CCCCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002057793 168626424 /nfs/dbraw/zinc/62/64/24/168626424.db2.gz BMSSRNRFXGWOEZ-UHFFFAOYSA-N 0 0 246.137 4.122 50 0 BIAARN CCCC[C@@H](CC)C(=O)Nc1ccc(C)c(C)c1 ZINC000002061716 168953592 /nfs/dbraw/zinc/95/35/92/168953592.db2.gz OTDYHUFOLWOYRA-CQSZACIVSA-N 0 0 247.382 4.458 50 0 BIAARN CCCC[C@H](CC)C(=O)Nc1ccc(C)c(C)c1 ZINC000002061717 342715537 /nfs/dbraw/zinc/71/55/37/342715537.db2.gz OTDYHUFOLWOYRA-AWEZNQCLSA-N 0 0 247.382 4.458 50 0 BIAARN CCCC[C@@H](CC)C(=O)Oc1cc(C)ccc1C ZINC000002061739 383950186 /nfs/dbraw/zinc/95/01/86/383950186.db2.gz SAIRMMIMGALNLQ-CQSZACIVSA-N 0 0 248.366 4.425 50 0 BIAARN CCCC[C@H](CC)C(=O)Oc1cc(C)ccc1C ZINC000002061740 383948938 /nfs/dbraw/zinc/94/89/38/383948938.db2.gz SAIRMMIMGALNLQ-AWEZNQCLSA-N 0 0 248.366 4.425 50 0 BIAARN CCCCc1ccc(NC(=O)CC(C)C)cc1 ZINC000002065084 169020223 /nfs/dbraw/zinc/02/02/23/169020223.db2.gz QFHRERQUJXHXNQ-UHFFFAOYSA-N 0 0 233.355 4.014 50 0 BIAARN CCCCc1ccc(NC(=O)[C@@H](C)CC)cc1 ZINC000002065085 169021132 /nfs/dbraw/zinc/02/11/32/169021132.db2.gz SKQZJRQMKZPVSO-LBPRGKRZSA-N 0 0 233.355 4.014 50 0 BIAARN CCCCc1ccc(NC(=O)[C@H](C)CC)cc1 ZINC000002065086 169022405 /nfs/dbraw/zinc/02/24/05/169022405.db2.gz SKQZJRQMKZPVSO-GFCCVEGCSA-N 0 0 233.355 4.014 50 0 BIAARN CCCC[C@@H](CC)C(=O)Nc1cc(C)cc(C)c1 ZINC000002069650 342715764 /nfs/dbraw/zinc/71/57/64/342715764.db2.gz OZNDLKHRIHLHHN-CQSZACIVSA-N 0 0 247.382 4.458 50 0 BIAARN CCCC[C@H](CC)C(=O)Nc1cc(C)cc(C)c1 ZINC000002069651 342715779 /nfs/dbraw/zinc/71/57/79/342715779.db2.gz OZNDLKHRIHLHHN-AWEZNQCLSA-N 0 0 247.382 4.458 50 0 BIAARN CCCCSc1nc2cc(C)c(C)cc2[nH]1 ZINC000002072750 342715804 /nfs/dbraw/zinc/71/58/04/342715804.db2.gz ATGQOUFKSQGANF-UHFFFAOYSA-N 0 0 234.368 4.072 50 0 BIAARN COc1ccc(/C=C/C=C/c2ccccc2)cc1 ZINC000002074684 175047331 /nfs/dbraw/zinc/04/73/31/175047331.db2.gz SFIQYOQIQVZENR-NXZHAISVSA-N 0 0 236.314 4.422 50 0 BIAARN CCCCc1ccc(NC(=O)C(CC)CC)cc1 ZINC000002086266 169020930 /nfs/dbraw/zinc/02/09/30/169020930.db2.gz XHBYGHABDSXELA-UHFFFAOYSA-N 0 0 247.382 4.404 50 0 BIAARN CCCCc1ccc(NC(=O)C2CCCC2)cc1 ZINC000002086306 169020317 /nfs/dbraw/zinc/02/03/17/169020317.db2.gz PVNKBSGFSAQDLU-UHFFFAOYSA-N 0 0 245.366 4.158 50 0 BIAARN CCCCC[C@@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC000002088218 342715810 /nfs/dbraw/zinc/71/58/10/342715810.db2.gz JYXQENDVZSKDHE-CQSZACIVSA-N 0 0 247.382 4.002 50 0 BIAARN CCCCC[C@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC000002088219 342715799 /nfs/dbraw/zinc/71/57/99/342715799.db2.gz JYXQENDVZSKDHE-AWEZNQCLSA-N 0 0 247.382 4.002 50 0 BIAARN CC(C)=CCC/C(C)=C/CCCOC(C)=O ZINC000002090441 363105374 /nfs/dbraw/zinc/10/53/74/363105374.db2.gz PLVUZLFGBFWHDU-UKTHLTGXSA-N 0 0 224.344 4.022 50 0 BIAARN CC(C)=CCC[C@@H](C)CC1OCC(C)(C)CO1 ZINC000002095067 187300104 /nfs/dbraw/zinc/30/01/04/187300104.db2.gz NBRLPXWLGXAHBK-CYBMUJFWSA-N 0 0 240.387 4.158 50 0 BIAARN CC(C)=CCC(CC=C(C)C)[C@H](C)OC(C)=O ZINC000002099626 187584451 /nfs/dbraw/zinc/58/44/51/187584451.db2.gz AYRLXIFWRSBIRI-ZDUSSCGKSA-N 0 0 238.371 4.267 50 0 BIAARN CC(C)=CCC(CC=C(C)C)[C@@H](C)OC(C)=O ZINC000002099627 383952156 /nfs/dbraw/zinc/95/21/56/383952156.db2.gz AYRLXIFWRSBIRI-CYBMUJFWSA-N 0 0 238.371 4.267 50 0 BIAARN C/C=C/n1c2ccccc2c2ccccc21 ZINC000002101960 359635773 /nfs/dbraw/zinc/63/57/73/359635773.db2.gz SFQDJUABNNSJHB-BIIKFXOESA-N 0 0 207.276 4.285 50 0 BIAARN CC[C@H](OC)n1c2ccccc2c2ccccc21 ZINC000002111347 363178889 /nfs/dbraw/zinc/17/88/89/363178889.db2.gz HIYAISWQVRVOGX-INIZCTEOSA-N 0 0 239.318 4.350 50 0 BIAARN CC[C@@H](OC)n1c2ccccc2c2ccccc21 ZINC000002111348 363178181 /nfs/dbraw/zinc/17/81/81/363178181.db2.gz HIYAISWQVRVOGX-MRXNPFEDSA-N 0 0 239.318 4.350 50 0 BIAARN CCCC[C@@H](CC)C(=O)Nc1cccc(CC)c1 ZINC000002114443 168954131 /nfs/dbraw/zinc/95/41/31/168954131.db2.gz SXQCDYKBQHAYLJ-CQSZACIVSA-N 0 0 247.382 4.404 50 0 BIAARN CCCC[C@H](CC)C(=O)Nc1cccc(CC)c1 ZINC000002114444 168994989 /nfs/dbraw/zinc/99/49/89/168994989.db2.gz SXQCDYKBQHAYLJ-AWEZNQCLSA-N 0 0 247.382 4.404 50 0 BIAARN C1OC[C@H]2CCCCCCCCCC[C@@H]12 ZINC000002116081 187300017 /nfs/dbraw/zinc/30/00/17/187300017.db2.gz ZOMKNVYKXOZLFE-OKILXGFUSA-N 0 0 210.361 4.164 50 0 BIAARN C1OC[C@@H]2CCCCCCCCCC[C@@H]12 ZINC000002116082 363195801 /nfs/dbraw/zinc/19/58/01/363195801.db2.gz ZOMKNVYKXOZLFE-KBPBESRZSA-N 0 0 210.361 4.164 50 0 BIAARN C1OC[C@H]2CCCCCCCCCC[C@H]12 ZINC000002116083 191114811 /nfs/dbraw/zinc/11/48/11/191114811.db2.gz ZOMKNVYKXOZLFE-ZIAGYGMSSA-N 0 0 210.361 4.164 50 0 BIAARN C(=C/c1cccc2scnc21)\c1ccccc1 ZINC000002125238 346217481 /nfs/dbraw/zinc/21/74/81/346217481.db2.gz SJXQEJJZJDXWEU-MDZDMXLPSA-N 0 0 237.327 4.467 50 0 BIAARN CC1(C)[C@H]2CC[C@]1(C)[C@H](c1ccccc1O)C2 ZINC000002128880 168010549 /nfs/dbraw/zinc/01/05/49/168010549.db2.gz XBIZMMUVXBULNU-DETPVDSQSA-N 0 0 230.351 4.322 50 0 BIAARN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](c1ccccc1O)C2 ZINC000002128882 168003630 /nfs/dbraw/zinc/00/36/30/168003630.db2.gz XBIZMMUVXBULNU-FFSVYQOJSA-N 0 0 230.351 4.322 50 0 BIAARN CC(C)=CCC/C(C)=C/CC[C@H](C)OC(C)=O ZINC000002137477 363294538 /nfs/dbraw/zinc/29/45/38/363294538.db2.gz BXGLLMNDXKACMT-UELRPHRMSA-N 0 0 238.371 4.411 50 0 BIAARN CC(C)=CCC/C(C)=C/CC[C@@H](C)OC(C)=O ZINC000002137480 388812944 /nfs/dbraw/zinc/81/29/44/388812944.db2.gz BXGLLMNDXKACMT-JWAFFJSPSA-N 0 0 238.371 4.411 50 0 BIAARN Fc1cccc(Cl)c1C(Cl)(Cl)Cl ZINC000002140826 342716047 /nfs/dbraw/zinc/71/60/47/342716047.db2.gz PNAGDDZKFJHOOK-UHFFFAOYSA-N 0 0 247.911 4.306 50 0 BIAARN O=C(CC/C=C/c1ccccc1)c1ccccc1 ZINC000002154878 383954602 /nfs/dbraw/zinc/95/46/02/383954602.db2.gz FZVGNXFZRZIAKO-YRNVUSSQSA-N 0 0 236.314 4.363 50 0 BIAARN CCn1c(-c2ccccc2)cc2ccccc21 ZINC000002156450 172130979 /nfs/dbraw/zinc/13/09/79/172130979.db2.gz RAKSXVONTIQCGY-UHFFFAOYSA-N 0 0 221.303 4.328 50 0 BIAARN CCCSC(=O)Nc1c(C)cccc1Cl ZINC000002156468 169335101 /nfs/dbraw/zinc/33/51/01/169335101.db2.gz RATNCSYWJSLRKB-UHFFFAOYSA-N 0 0 243.759 4.324 50 0 BIAARN CSCSc1cc(Cl)ccc1Cl ZINC000002160009 342716331 /nfs/dbraw/zinc/71/63/31/342716331.db2.gz MZRAFEGCIFFMAY-UHFFFAOYSA-N 0 0 239.192 4.406 50 0 BIAARN CSCSc1ccc(Cl)c(Cl)c1 ZINC000002160010 342716323 /nfs/dbraw/zinc/71/63/23/342716323.db2.gz HHKZLSABXDJPNK-UHFFFAOYSA-N 0 0 239.192 4.406 50 0 BIAARN CCCSC(=O)Nc1cccc(Cl)c1 ZINC000002161851 169334902 /nfs/dbraw/zinc/33/49/02/169334902.db2.gz SLIOGZBKHPSYOD-UHFFFAOYSA-N 0 0 229.732 4.015 50 0 BIAARN CCCCSC(=O)Nc1cccc(Cl)c1 ZINC000002161852 346496062 /nfs/dbraw/zinc/49/60/62/346496062.db2.gz NBHJWJOHESILTL-UHFFFAOYSA-N 0 0 243.759 4.405 50 0 BIAARN Cc1ccc(C(=O)C2(C)CCCCC2)cc1 ZINC000002162297 178371245 /nfs/dbraw/zinc/37/12/45/178371245.db2.gz WMNSWNXIAWLHRB-UHFFFAOYSA-N 0 0 216.324 4.148 50 0 BIAARN Cc1ccc(CSc2ccccc2)cc1 ZINC000002165360 356365524 /nfs/dbraw/zinc/36/55/24/356365524.db2.gz NQBAGKCXIRIHMN-UHFFFAOYSA-N 0 0 214.333 4.287 50 0 BIAARN CCCCC/C(=C/c1ccccc1)COC(C)=O ZINC000002165898 356365589 /nfs/dbraw/zinc/36/55/89/356365589.db2.gz CMJSVJIGLBDCME-VBKFSLOCSA-N 0 0 246.350 4.213 50 0 endogenous,in-man BIAARN C(=C/c1ccccc1)\CSc1ccccc1 ZINC000002166093 188159154 /nfs/dbraw/zinc/15/91/54/188159154.db2.gz FEHPZIJSLMHZSJ-JXMROGBWSA-N 0 0 226.344 4.492 50 0 BIAARN CCCCc1ccc(C(OCC)OCC)cc1 ZINC000002166898 169020422 /nfs/dbraw/zinc/02/04/22/169020422.db2.gz VZIJDIWCWDYVFM-UHFFFAOYSA-N 0 0 236.355 4.101 50 0 BIAARN C1=C[C@H](Cc2ccccc2)c2ccccc21 ZINC000002167183 387240575 /nfs/dbraw/zinc/24/05/75/387240575.db2.gz NBHBNYRLTADHQY-OAHLLOKOSA-N 0 0 206.288 4.040 50 0 BIAARN C1=C[C@@H](Cc2ccccc2)c2ccccc21 ZINC000002167185 356365566 /nfs/dbraw/zinc/36/55/66/356365566.db2.gz NBHBNYRLTADHQY-HNNXBMFYSA-N 0 0 206.288 4.040 50 0 BIAARN Cc1cc(C)c(C)c(C(=O)c2ccccc2)c1C ZINC000002167452 387239736 /nfs/dbraw/zinc/23/97/36/387239736.db2.gz SYWIOWXMHAQPTK-UHFFFAOYSA-N 0 0 238.330 4.151 50 0 BIAARN Cc1ccc(SCc2ccccc2)cc1 ZINC000002167494 187409702 /nfs/dbraw/zinc/40/97/02/187409702.db2.gz VCMADTQZCBWKAB-UHFFFAOYSA-N 0 0 214.333 4.287 50 0 BIAARN Cc1cc(C)cc([C@@H](C)c2ccccc2)c1 ZINC000002167570 346497003 /nfs/dbraw/zinc/49/70/03/346497003.db2.gz LVUFHDXEVLCSII-AWEZNQCLSA-N 0 0 210.320 4.455 50 0 BIAARN Cc1cc(C)cc([C@H](C)c2ccccc2)c1 ZINC000002167571 346496759 /nfs/dbraw/zinc/49/67/59/346496759.db2.gz LVUFHDXEVLCSII-CQSZACIVSA-N 0 0 210.320 4.455 50 0 BIAARN CCC(=O)CC(c1ccccc1)c1ccccc1 ZINC000002167679 168197642 /nfs/dbraw/zinc/19/76/42/168197642.db2.gz DNVZUJFPAUGQDA-UHFFFAOYSA-N 0 0 238.330 4.188 50 0 BIAARN CCCOC(c1ccccc1)c1ccccc1 ZINC000002167695 169301460 /nfs/dbraw/zinc/30/14/60/169301460.db2.gz RYBNGIBEGIRICU-UHFFFAOYSA-N 0 0 226.319 4.203 50 0 BIAARN CCCSC(=O)Nc1c(C)cccc1CC ZINC000002167698 169335327 /nfs/dbraw/zinc/33/53/27/169335327.db2.gz LWBHXJYGLSATGQ-UHFFFAOYSA-N 0 0 237.368 4.233 50 0 BIAARN CCCCSC(=O)Nc1ccc(C)cc1C ZINC000002167703 346496961 /nfs/dbraw/zinc/49/69/61/346496961.db2.gz LFVWVTWPRWYMJU-UHFFFAOYSA-N 0 0 237.368 4.369 50 0 BIAARN Fc1ccc(CSc2ccccc2)cc1 ZINC000002168459 342716505 /nfs/dbraw/zinc/71/65/05/342716505.db2.gz HAKNESVFKIESDD-UHFFFAOYSA-N 0 0 218.296 4.118 50 0 BIAARN Cc1ccccc1-c1nc2ccccc2s1 ZINC000002168721 179238163 /nfs/dbraw/zinc/23/81/63/179238163.db2.gz AMWVFOHECZHTQT-UHFFFAOYSA-N 0 0 225.316 4.272 50 0 BIAARN C=C(c1ccc(C)cc1)c1ccc(C)cc1 ZINC000002168735 356365713 /nfs/dbraw/zinc/36/57/13/356365713.db2.gz HEDMCKGHZIRQLS-UHFFFAOYSA-N 0 0 208.304 4.365 50 0 BIAARN CCCCCCc1ccc(C(C)=O)cc1 ZINC000002168748 168680636 /nfs/dbraw/zinc/68/06/36/168680636.db2.gz WWBVHJKFJZBRSO-UHFFFAOYSA-N 0 0 204.313 4.012 50 0 BIAARN Clc1nc2c(cc(Cl)cc2Cl)s1 ZINC000002168786 180574845 /nfs/dbraw/zinc/57/48/45/180574845.db2.gz VTCQHPHTMWSXKQ-UHFFFAOYSA-N 0 0 238.526 4.257 50 0 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BIAARN Cc1c(Cl)cc(C(F)F)cc1Cl ZINC000263623780 177595597 /nfs/dbraw/zinc/59/55/97/177595597.db2.gz KQTGTNWYNDEGLK-UHFFFAOYSA-N 0 0 211.038 4.239 50 0 BIAARN Fc1cc(Cl)c(C(F)(F)F)c(Cl)c1 ZINC000263623836 180949540 /nfs/dbraw/zinc/94/95/40/180949540.db2.gz LDFIIGQPVHNLOQ-UHFFFAOYSA-N 0 0 232.991 4.151 50 0 BIAARN Cc1cc(C(F)F)cc(Cl)c1Cl ZINC000263623874 177832106 /nfs/dbraw/zinc/83/21/06/177832106.db2.gz LMJWRODJGKHMQT-UHFFFAOYSA-N 0 0 211.038 4.239 50 0 BIAARN Fc1c(Cl)cc(Cl)cc1OC(F)(F)F ZINC000263623908 386157605 /nfs/dbraw/zinc/15/76/05/386157605.db2.gz LSKZGAQHFKLBCN-UHFFFAOYSA-N 0 0 248.990 4.031 50 0 BIAARN Cc1cc(C(F)F)c(Cl)cc1Cl ZINC000263623934 177832402 /nfs/dbraw/zinc/83/24/02/177832402.db2.gz LXTBDXJSLMZTGN-UHFFFAOYSA-N 0 0 211.038 4.239 50 0 BIAARN CSc1cc(Cl)c(C)cc1Cl ZINC000263624006 386157997 /nfs/dbraw/zinc/15/79/97/386157997.db2.gz MNTAOVIUCGXCRW-UHFFFAOYSA-N 0 0 207.125 4.024 50 0 BIAARN Cc1c(Cl)cc(Cl)cc1C(F)F ZINC000263624098 386157014 /nfs/dbraw/zinc/15/70/14/386157014.db2.gz NIUVTAGGVKYWNG-UHFFFAOYSA-N 0 0 211.038 4.239 50 0 BIAARN Fc1cc(C(F)F)cc(Cl)c1Cl ZINC000263624296 386157371 /nfs/dbraw/zinc/15/73/71/386157371.db2.gz PBLLFJWAKKLLNH-UHFFFAOYSA-N 0 0 215.001 4.070 50 0 BIAARN Fc1cc(Cl)c(Cl)c(C(F)F)c1 ZINC000263624347 386157586 /nfs/dbraw/zinc/15/75/86/386157586.db2.gz PNRRBCCKCGZGMZ-UHFFFAOYSA-N 0 0 215.001 4.070 50 0 BIAARN Fc1cc(Cl)cc(Cl)c1C(F)(F)F ZINC000263624359 386157984 /nfs/dbraw/zinc/15/79/84/386157984.db2.gz PRXCDZLYCKKYDA-UHFFFAOYSA-N 0 0 232.991 4.151 50 0 BIAARN CSc1cc(Cl)cc(C)c1Cl ZINC000263624390 386157742 /nfs/dbraw/zinc/15/77/42/386157742.db2.gz QAUCYYYUPWPZKD-UHFFFAOYSA-N 0 0 207.125 4.024 50 0 BIAARN Fc1ccc(C(F)F)c(Cl)c1Cl ZINC000263624444 386158760 /nfs/dbraw/zinc/15/87/60/386158760.db2.gz QNVUPPLXMAMTLJ-UHFFFAOYSA-N 0 0 215.001 4.070 50 0 BIAARN CSc1cc(Cl)c(Cl)cc1C ZINC000263624506 386158889 /nfs/dbraw/zinc/15/88/89/386158889.db2.gz RDRHDUNKAKQYGQ-UHFFFAOYSA-N 0 0 207.125 4.024 50 0 BIAARN Fc1c(Cl)c(Cl)ccc1C(F)F ZINC000263624575 386159938 /nfs/dbraw/zinc/15/99/38/386159938.db2.gz RSASBSVWVMHYFT-UHFFFAOYSA-N 0 0 215.001 4.070 50 0 BIAARN Cc1ccc(Cl)c(Cl)c1Br ZINC000263624638 386159177 /nfs/dbraw/zinc/15/91/77/386159177.db2.gz SEAUBQTYSTVQJM-UHFFFAOYSA-N 0 0 239.927 4.064 50 0 BIAARN Cc1cc(Cl)c(C(F)(F)F)c(Cl)c1 ZINC000263624662 178060959 /nfs/dbraw/zinc/06/09/59/178060959.db2.gz SLIGOALPNJSKKU-UHFFFAOYSA-N 0 0 229.028 4.321 50 0 BIAARN Fc1cc(Cl)c(Cl)cc1C(F)F ZINC000263624670 386159661 /nfs/dbraw/zinc/15/96/61/386159661.db2.gz SMTBVPLBNBEAIS-UHFFFAOYSA-N 0 0 215.001 4.070 50 0 BIAARN Fc1cc(Cl)c(Cl)c(C(F)(F)F)c1 ZINC000263624724 180949697 /nfs/dbraw/zinc/94/96/97/180949697.db2.gz SXYPUXIFZGOMPP-UHFFFAOYSA-N 0 0 232.991 4.151 50 0 BIAARN Cc1cc(Cl)cc(C(F)F)c1Cl ZINC000263624779 178063609 /nfs/dbraw/zinc/06/36/09/178063609.db2.gz UCPBPNKCOJRCHM-UHFFFAOYSA-N 0 0 211.038 4.239 50 0 BIAARN Cc1cc(Cl)c(Cl)cc1C(F)F ZINC000263624891 178060519 /nfs/dbraw/zinc/06/05/19/178060519.db2.gz UXQOZZLFYIQQCE-UHFFFAOYSA-N 0 0 211.038 4.239 50 0 BIAARN Fc1cc(Cl)cc(Cl)c1C(F)F ZINC000263624911 386159064 /nfs/dbraw/zinc/15/90/64/386159064.db2.gz VCOVJFYKTARMTE-UHFFFAOYSA-N 0 0 215.001 4.070 50 0 BIAARN Fc1ccc(Cl)c(C(F)F)c1Cl ZINC000263625163 386159364 /nfs/dbraw/zinc/15/93/64/386159364.db2.gz XHJQZFXYEIIALJ-UHFFFAOYSA-N 0 0 215.001 4.070 50 0 BIAARN Fc1cc(Cl)c(C(F)F)cc1Cl ZINC000263625212 180948876 /nfs/dbraw/zinc/94/88/76/180948876.db2.gz XSRNFPZLSNPUAR-UHFFFAOYSA-N 0 0 215.001 4.070 50 0 BIAARN Fc1c(Cl)cc(Cl)cc1C(F)F ZINC000263625237 180945866 /nfs/dbraw/zinc/94/58/66/180945866.db2.gz XZMAPGQGPQOYBL-UHFFFAOYSA-N 0 0 215.001 4.070 50 0 BIAARN Fc1cc(C(F)F)c(Cl)cc1Cl ZINC000263625341 180947357 /nfs/dbraw/zinc/94/73/57/180947357.db2.gz YXXKHCSEWJYNNI-UHFFFAOYSA-N 0 0 215.001 4.070 50 0 BIAARN Cc1cc(Cl)c(C(F)F)cc1Cl ZINC000263625364 178061271 /nfs/dbraw/zinc/06/12/71/178061271.db2.gz ZGMQLULTLGWNCB-UHFFFAOYSA-N 0 0 211.038 4.239 50 0 BIAARN CSc1cc(C)c(Cl)c(Cl)c1 ZINC000263625438 386159037 /nfs/dbraw/zinc/15/90/37/386159037.db2.gz ZZFALPRAIBLKQL-UHFFFAOYSA-N 0 0 207.125 4.024 50 0 BIAARN Cc1cc(C=O)ccc1-c1c(F)cccc1Cl ZINC000304352414 537903149 /nfs/dbraw/zinc/90/31/49/537903149.db2.gz QQMSYBIUKIGLKA-UHFFFAOYSA-N 0 0 248.684 4.267 50 0 BIAARN Cc1ccc2nc3c(c(Cl)c2c1F)CCCC3 ZINC000328579480 491069022 /nfs/dbraw/zinc/06/90/22/491069022.db2.gz KNRCAMFSOZPJPX-UHFFFAOYSA-N 0 0 249.716 4.215 50 0 BIAARN CC1=Nc2ccccc2/C1=C\C=C1C=CN(C)C=C1 ZINC000334156978 135321782 /nfs/dbraw/zinc/32/17/82/135321782.db2.gz OLPXQEGZLREYGL-NVNXTCNLSA-N 0 0 248.329 4.075 50 0 BIAARN CC1=Nc2ccccc2/C1=C/C=C1C=CN(C)C=C1 ZINC000334156979 135322298 /nfs/dbraw/zinc/32/22/98/135322298.db2.gz OLPXQEGZLREYGL-OVCLIPMQSA-N 0 0 248.329 4.075 50 0 BIAARN CC1=CC=C/C(=C/C=C2/C=Nc3ccccc32)N1C ZINC000334157081 135322168 /nfs/dbraw/zinc/32/21/68/135322168.db2.gz BXTRGRUSZNGIFN-HYQBVQLESA-N 0 0 248.329 4.075 50 0 BIAARN CC(C)(OSC(F)(F)F)c1ccccc1 ZINC000390822420 519373771 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QRHXVPXPVPDKQQ-UHFFFAOYSA-N 0 0 243.375 4.228 50 0 BIAARN Cc1ccc(C)c(-c2nc(C)nc3ccccc32)c1 ZINC000426582926 387580281 /nfs/dbraw/zinc/58/02/81/387580281.db2.gz XLDWJVHMGVZQQC-UHFFFAOYSA-N 0 0 248.329 4.222 50 0 BIAARN C(=C/C1CCCCC1)\c1nncc2ccccc21 ZINC000426685452 387586794 /nfs/dbraw/zinc/58/67/94/387586794.db2.gz UWQMSCANYIAHOQ-ZHACJKMWSA-N 0 0 238.334 4.223 50 0 BIAARN CC(C)(C)c1ccc(/C=C\c2ccncn2)s1 ZINC000500408844 526761320 /nfs/dbraw/zinc/76/13/20/526761320.db2.gz JFIALENAFHOSLH-PLNGDYQASA-N 0 0 244.363 4.006 50 0 BIAARN CC1(Nc2ccc(Cl)cc2)CCCCC1 ZINC000526058847 490105987 /nfs/dbraw/zinc/10/59/87/490105987.db2.gz RHAPJDWMLYPWFP-UHFFFAOYSA-N 0 0 223.747 4.475 50 0 BIAARN CC(C)(C)Nc1ccc2c(c1)-c1ccccc1C2 ZINC000526058848 490105666 /nfs/dbraw/zinc/10/56/66/490105666.db2.gz SFBPXXJYWMTRAZ-UHFFFAOYSA-N 0 0 237.346 4.468 50 0 BIAARN CC(C)C(C)(C)Nc1ccc(Cl)cc1 ZINC000526058859 490105600 /nfs/dbraw/zinc/10/56/00/490105600.db2.gz YXCUHFPTNYSXSJ-UHFFFAOYSA-N 0 0 211.736 4.187 50 0 BIAARN C[C@@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000527399762 541506523 /nfs/dbraw/zinc/50/65/23/541506523.db2.gz HIBGOERYLMFOIG-MRVPVSSYSA-N 0 0 219.715 4.261 50 0 BIAARN C[C@H]1CCCc2c3cccc(Cl)c3[nH]c21 ZINC000527399763 541506553 /nfs/dbraw/zinc/50/65/53/541506553.db2.gz HIBGOERYLMFOIG-QMMMGPOBSA-N 0 0 219.715 4.261 50 0 BIAARN CC(C)(C)c1ccc(/C=C/Br)cc1 ZINC000606290591 712354515 /nfs/dbraw/zinc/35/45/15/712354515.db2.gz WOZFBSZZFMZSID-CMDGGOBGSA-N 0 0 239.156 4.350 50 0 BIAARN CC(C)c1ccc(N)c2c1C(C)(C)C[C@@H]2C ZINC000669374485 537950853 /nfs/dbraw/zinc/95/08/53/537950853.db2.gz HTCYFAQAIRWFNN-JTQLQIEISA-N 0 0 217.356 4.177 50 0 BIAARN CC(C)c1ccc(N)c2c1C(C)(C)C[C@H]2C ZINC000669374486 537951096 /nfs/dbraw/zinc/95/10/96/537951096.db2.gz HTCYFAQAIRWFNN-SNVBAGLBSA-N 0 0 217.356 4.177 50 0 BIAARN CC(C)c1ccc2c(c1N)[C@@H](C)CC2(C)C ZINC000669375316 537954699 /nfs/dbraw/zinc/95/46/99/537954699.db2.gz WUXPILZYZHLJOT-JTQLQIEISA-N 0 0 217.356 4.177 50 0 BIAARN CC(C)c1ccc2c(c1N)[C@H](C)CC2(C)C ZINC000669375317 537954119 /nfs/dbraw/zinc/95/41/19/537954119.db2.gz WUXPILZYZHLJOT-SNVBAGLBSA-N 0 0 217.356 4.177 50 0 BIAARN Fc1c(Cl)cccc1-c1ccsc1 ZINC000669379325 537978400 /nfs/dbraw/zinc/97/84/00/537978400.db2.gz BZVKOTWMHFMIHR-UHFFFAOYSA-N 0 0 212.676 4.208 50 0 BIAARN Fc1cc(Cl)ccc1-c1ccsc1 ZINC000669379592 537980641 /nfs/dbraw/zinc/98/06/41/537980641.db2.gz GKZVHRBCQDDASM-UHFFFAOYSA-N 0 0 212.676 4.208 50 0 BIAARN CCC(CC)c1ccc(Cl)cc1F ZINC000669379810 537982723 /nfs/dbraw/zinc/98/27/23/537982723.db2.gz HCSVVLFUTKXKKQ-UHFFFAOYSA-N 0 0 200.684 4.383 50 0 BIAARN Fc1ccc(-c2cc(Cl)ccc2F)cc1 ZINC000669379907 537982497 /nfs/dbraw/zinc/98/24/97/537982497.db2.gz ICVIUJMCKDPMRH-UHFFFAOYSA-N 0 0 224.637 4.285 50 0 BIAARN CCC(CC)c1cccc(Cl)c1F ZINC000669380009 537987853 /nfs/dbraw/zinc/98/78/53/537987853.db2.gz JKNNEKFZURDHLW-UHFFFAOYSA-N 0 0 200.684 4.383 50 0 BIAARN CCC(CC)c1cc(Cl)ccc1F ZINC000669380416 537989691 /nfs/dbraw/zinc/98/96/91/537989691.db2.gz MFEUYNHEVVKITA-UHFFFAOYSA-N 0 0 200.684 4.383 50 0 BIAARN Fc1ccc(-c2ccsc2)cc1Cl ZINC000669380510 537990340 /nfs/dbraw/zinc/99/03/40/537990340.db2.gz MPCAOSOYNOLANN-UHFFFAOYSA-N 0 0 212.676 4.208 50 0 BIAARN Fc1ccc(-c2ccc(Cl)cc2F)cc1 ZINC000669380681 566425093 /nfs/dbraw/zinc/42/50/93/566425093.db2.gz PKRZZRVYJIKFEQ-UHFFFAOYSA-N 0 0 224.637 4.285 50 0 BIAARN Fc1ccc(-c2cccc(Cl)c2F)cc1 ZINC000669380789 537992996 /nfs/dbraw/zinc/99/29/96/537992996.db2.gz PULJNSJUEPWPNJ-UHFFFAOYSA-N 0 0 224.637 4.285 50 0 BIAARN Fc1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000669380963 537991739 /nfs/dbraw/zinc/99/17/39/537991739.db2.gz UKYONYLOHKYCBH-UHFFFAOYSA-N 0 0 224.637 4.285 50 0 BIAARN CCC(CC)c1ccc(F)c(Cl)c1 ZINC000669381003 537992010 /nfs/dbraw/zinc/99/20/10/537992010.db2.gz VKQXIFABRHSFKX-UHFFFAOYSA-N 0 0 200.684 4.383 50 0 BIAARN Fc1ccc(Cl)cc1-c1ccsc1 ZINC000669381076 537993885 /nfs/dbraw/zinc/99/38/85/537993885.db2.gz XHPVXAJNVOPRTP-UHFFFAOYSA-N 0 0 212.676 4.208 50 0 BIAARN Cc1sccc1-c1ccc(C)c(F)c1 ZINC000669384710 538016661 /nfs/dbraw/zinc/01/66/61/538016661.db2.gz BYIUDRREFHFSNR-UHFFFAOYSA-N 0 0 206.285 4.171 50 0 BIAARN CCc1ccccc1-c1ccc(C)c(F)c1 ZINC000669385108 538019759 /nfs/dbraw/zinc/01/97/59/538019759.db2.gz YJLSFUHIHYHVNA-UHFFFAOYSA-N 0 0 214.283 4.364 50 0 BIAARN CCc1ccccc1-c1ccccc1F ZINC000669385116 541438477 /nfs/dbraw/zinc/43/84/77/541438477.db2.gz ZAHSTHSDOLTPMK-UHFFFAOYSA-N 0 0 200.256 4.055 50 0 BIAARN CCCCSc1ncc(-c2ccccc2)cn1 ZINC000670420808 487471812 /nfs/dbraw/zinc/47/18/12/487471812.db2.gz DAGVMKRWAICHEG-UHFFFAOYSA-N 0 0 244.363 4.036 50 0 BIAARN Cc1ccc(Nc2cc(C)cc(C)c2N)c(C)c1 ZINC000670426966 487477250 /nfs/dbraw/zinc/47/72/50/487477250.db2.gz YIEZPUMISLTUKI-UHFFFAOYSA-N 0 0 240.350 4.246 50 0 BIAARN Cc1sccc1-c1cc(F)ccc1F ZINC000675069416 538498556 /nfs/dbraw/zinc/49/85/56/538498556.db2.gz HBDLGYFPMPYMNF-UHFFFAOYSA-N 0 0 210.248 4.002 50 0 BIAARN Cc1ccc(-c2cc(F)ccc2F)cc1F ZINC000675069659 538499248 /nfs/dbraw/zinc/49/92/48/538499248.db2.gz KFTLNPDKJVEPHO-UHFFFAOYSA-N 0 0 222.209 4.079 50 0 BIAARN Cc1cc(-c2cc(F)ccc2F)cs1 ZINC000675070032 538500024 /nfs/dbraw/zinc/50/00/24/538500024.db2.gz OPLDBZZVWHPVNO-UHFFFAOYSA-N 0 0 210.248 4.002 50 0 BIAARN Cc1cc(Cl)cc2c3c([nH]c21)CCCC3 ZINC000675075553 538509500 /nfs/dbraw/zinc/50/95/00/538509500.db2.gz ALBWHHFDRDXNTK-UHFFFAOYSA-N 0 0 219.715 4.009 50 0 BIAARN CC[C@@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000675075649 538509837 /nfs/dbraw/zinc/50/98/37/538509837.db2.gz CTFFVAPTFOWLJZ-SECBINFHSA-N 0 0 217.287 4.137 50 0 BIAARN CC[C@H]1CCCc2c3cc(F)ccc3[nH]c21 ZINC000675075653 538509519 /nfs/dbraw/zinc/50/95/19/538509519.db2.gz CTFFVAPTFOWLJZ-VIFPVBQESA-N 0 0 217.287 4.137 50 0 BIAARN C[C@@H]1CC[C@H](C)c2[nH]c3ccc(F)cc3c21 ZINC000675076267 538510783 /nfs/dbraw/zinc/51/07/83/538510783.db2.gz MXVNMGGIMYIGQG-BDAKNGLRSA-N 0 0 217.287 4.308 50 0 BIAARN C[C@@H]1CC[C@H](C)c2c3cc(F)ccc3[nH]c21 ZINC000675076269 538510818 /nfs/dbraw/zinc/51/08/18/538510818.db2.gz MXVNMGGIMYIGQG-DTWKUNHWSA-N 0 0 217.287 4.308 50 0 BIAARN C[C@H]1CC[C@H](C)c2c3cc(F)ccc3[nH]c21 ZINC000675076270 538510839 /nfs/dbraw/zinc/51/08/39/538510839.db2.gz MXVNMGGIMYIGQG-IUCAKERBSA-N 0 0 217.287 4.308 50 0 BIAARN C[C@@H]1CC[C@@H](C)c2c3cc(F)ccc3[nH]c21 ZINC000675076271 538510767 /nfs/dbraw/zinc/51/07/67/538510767.db2.gz MXVNMGGIMYIGQG-RKDXNWHRSA-N 0 0 217.287 4.308 50 0 BIAARN C[C@@H]1CC[C@H](C)c2[nH]c3c(cccc3F)c21 ZINC000675076580 538511541 /nfs/dbraw/zinc/51/15/41/538511541.db2.gz PEZKBPIUGLTUEX-BDAKNGLRSA-N 0 0 217.287 4.308 50 0 BIAARN C[C@@H]1CC[C@H](C)c2c3cccc(F)c3[nH]c21 ZINC000675076581 538511485 /nfs/dbraw/zinc/51/14/85/538511485.db2.gz PEZKBPIUGLTUEX-DTWKUNHWSA-N 0 0 217.287 4.308 50 0 BIAARN C[C@H]1CC[C@H](C)c2c3cccc(F)c3[nH]c21 ZINC000675076583 538511513 /nfs/dbraw/zinc/51/15/13/538511513.db2.gz PEZKBPIUGLTUEX-IUCAKERBSA-N 0 0 217.287 4.308 50 0 BIAARN C[C@@H]1CC[C@@H](C)c2c3cccc(F)c3[nH]c21 ZINC000675076584 538511049 /nfs/dbraw/zinc/51/10/49/538511049.db2.gz PEZKBPIUGLTUEX-RKDXNWHRSA-N 0 0 217.287 4.308 50 0 BIAARN Cc1cc(Cl)cc2c3c([nH]c21)CC[C@@H](C)C3 ZINC000675077007 538512848 /nfs/dbraw/zinc/51/28/48/538512848.db2.gz VYLCDVVPTMEWNE-MRVPVSSYSA-N 0 0 233.742 4.255 50 0 BIAARN Cc1cc(Cl)cc2c3c([nH]c21)CC[C@H](C)C3 ZINC000675077009 538511926 /nfs/dbraw/zinc/51/19/26/538511926.db2.gz VYLCDVVPTMEWNE-QMMMGPOBSA-N 0 0 233.742 4.255 50 0 BIAARN CC[C@@H]1CCCc2c3cccc(F)c3[nH]c21 ZINC000675077110 538512470 /nfs/dbraw/zinc/51/24/70/538512470.db2.gz XVOMWLHSQDQSTE-SECBINFHSA-N 0 0 217.287 4.137 50 0 BIAARN CC[C@H]1CCCc2c3cccc(F)c3[nH]c21 ZINC000675077112 538512835 /nfs/dbraw/zinc/51/28/35/538512835.db2.gz XVOMWLHSQDQSTE-VIFPVBQESA-N 0 0 217.287 4.137 50 0 BIAARN C=Cc1ccc(-c2csc(C)c2)cc1 ZINC000725241250 537978245 /nfs/dbraw/zinc/97/82/45/537978245.db2.gz HBRLWBRNYYXZFA-UHFFFAOYSA-N 0 0 200.306 4.367 50 0 BIAARN C=Cc1ccc(-c2ccc(C=O)cc2C)cc1 ZINC000725241290 537979085 /nfs/dbraw/zinc/97/90/85/537979085.db2.gz JLPGMOHINIDOKO-UHFFFAOYSA-N 0 0 222.287 4.118 50 0 BIAARN C=Cc1ccc(-c2cc(F)cc(OC)c2)cc1 ZINC000725241364 537978931 /nfs/dbraw/zinc/97/89/31/537978931.db2.gz PBIFVNPXYSAFGI-UHFFFAOYSA-N 0 0 228.266 4.144 50 0 BIAARN C=Cc1ccc(-c2ccsc2C)cc1 ZINC000725241492 541330009 /nfs/dbraw/zinc/33/00/09/541330009.db2.gz UNWWJAAKPRQPNM-UHFFFAOYSA-N 0 0 200.306 4.367 50 0 BIAARN CC1(C)CCC=C(c2cccc(C=O)c2)C1 ZINC000725244844 537997803 /nfs/dbraw/zinc/99/78/03/537997803.db2.gz AJLYLOREQPRIPG-UHFFFAOYSA-N 0 0 214.308 4.093 50 0 BIAARN CC1(C)CCC=C(c2csc(C=O)c2)C1 ZINC000725244995 538000675 /nfs/dbraw/zinc/00/06/75/538000675.db2.gz CPLMIWLLDSZCEJ-UHFFFAOYSA-N 0 0 220.337 4.154 50 0 BIAARN Cc1ccc(C2=CCCC(C)(C)C2)cc1N ZINC000725245070 538000923 /nfs/dbraw/zinc/00/09/23/538000923.db2.gz FKYIUSRZJQFNOL-UHFFFAOYSA-N 0 0 215.340 4.171 50 0 BIAARN CC1(C)CCC=C(c2ccc(F)cc2)C1 ZINC000725245431 538000842 /nfs/dbraw/zinc/00/08/42/538000842.db2.gz GUNQDACUQOSLIK-UHFFFAOYSA-N 0 0 204.288 4.419 50 0 BIAARN C[Si](C)(C)CCSCc1ccc(F)cc1 ZINC000725245440 538000468 /nfs/dbraw/zinc/00/04/68/538000468.db2.gz IITPNZAEZZACQK-UHFFFAOYSA-N 0 0 242.435 4.397 50 0 BIAARN CC1(C)CCC=C(c2ccc(C=O)cc2)C1 ZINC000725245721 538002644 /nfs/dbraw/zinc/00/26/44/538002644.db2.gz LNQWFQRRIQFENT-UHFFFAOYSA-N 0 0 214.308 4.093 50 0 BIAARN C[Si](C)(C)CCSCc1ccccc1F ZINC000725245843 538004284 /nfs/dbraw/zinc/00/42/84/538004284.db2.gz MSBZEGRLGPEXFH-UHFFFAOYSA-N 0 0 242.435 4.397 50 0 BIAARN Cc1cc(C)c(-c2csc(C=O)c2)c(C)c1 ZINC000725245904 538005035 /nfs/dbraw/zinc/00/50/35/538005035.db2.gz NSBSWJGKJMPEBJ-UHFFFAOYSA-N 0 0 230.332 4.153 50 0 BIAARN COc1cccc(C2=CCCC(C)(C)C2)c1 ZINC000725246017 538004940 /nfs/dbraw/zinc/00/49/40/538004940.db2.gz OZKHLSZKQRZKHU-UHFFFAOYSA-N 0 0 216.324 4.289 50 0 BIAARN CC1(C)CCC=C(c2ccccc2C=O)C1 ZINC000725246089 538005269 /nfs/dbraw/zinc/00/52/69/538005269.db2.gz RIJDTLVFOUPNJJ-UHFFFAOYSA-N 0 0 214.308 4.093 50 0 BIAARN COc1ccc(C2=CCCC(C)(C)C2)cc1 ZINC000725246324 538006270 /nfs/dbraw/zinc/00/62/70/538006270.db2.gz VAAGVECOZYGWIQ-UHFFFAOYSA-N 0 0 216.324 4.289 50 0 BIAARN CC1(C)CCC=C(c2ccc(C=O)s2)C1 ZINC000725246406 539026641 /nfs/dbraw/zinc/02/66/41/539026641.db2.gz ZJLJHFCIZFZCBV-UHFFFAOYSA-N 0 0 220.337 4.154 50 0 BIAARN CC(C)(C)c1cccc(-c2ccc(C=O)cc2)c1 ZINC000725270101 538102072 /nfs/dbraw/zinc/10/20/72/538102072.db2.gz XLJSTGDPQPTKEI-UHFFFAOYSA-N 0 0 238.330 4.464 50 0 BIAARN CC(C)(C)c1cccc(-c2cccc(C=O)c2)c1 ZINC000725270174 538102354 /nfs/dbraw/zinc/10/23/54/538102354.db2.gz YFBSFRIKOWHIHJ-UHFFFAOYSA-N 0 0 238.330 4.464 50 0 BIAARN O=Cc1sccc1-c1c(F)cccc1Cl ZINC000725270326 538102159 /nfs/dbraw/zinc/10/21/59/538102159.db2.gz GMRSHKASGJWNMA-UHFFFAOYSA-N 0 0 240.686 4.020 50 0 BIAARN O=Cc1cc(-c2c(F)cccc2Cl)cs1 ZINC000725271016 538102916 /nfs/dbraw/zinc/10/29/16/538102916.db2.gz XXDMPNRWAABDRQ-UHFFFAOYSA-N 0 0 240.686 4.020 50 0 BIAARN CCCc1ccc(-c2csc(C=O)c2)cc1 ZINC000725272097 538103743 /nfs/dbraw/zinc/10/37/43/538103743.db2.gz MLBJULWCTBVNHK-UHFFFAOYSA-N 0 0 230.332 4.180 50 0 BIAARN CCCc1ccc(-c2ccsc2C=O)cc1 ZINC000725272140 538103738 /nfs/dbraw/zinc/10/37/38/538103738.db2.gz MYJHMQBROHDBRQ-UHFFFAOYSA-N 0 0 230.332 4.180 50 0 BIAARN Cc1ccc(F)cc1-c1ccnc(C(F)F)c1 ZINC000725273453 538105154 /nfs/dbraw/zinc/10/51/54/538105154.db2.gz DMRTVZBXASSZGO-UHFFFAOYSA-N 0 0 237.224 4.134 50 0 BIAARN COc1cccc(Cl)c1-c1ccc(F)cc1 ZINC000725375022 710755984 /nfs/dbraw/zinc/75/59/84/710755984.db2.gz BUUFMXFMCUKYGM-UHFFFAOYSA-N 0 0 236.673 4.155 50 0 BIAARN Fc1c(Cl)cccc1C(F)(F)C(F)(F)F ZINC000725378373 711664743 /nfs/dbraw/zinc/66/47/43/711664743.db2.gz KCPTTWLSDFOGGF-UHFFFAOYSA-N 0 0 248.553 4.133 50 0 BIAARN Cc1ccc(C(F)(F)C(F)(F)F)cc1Cl ZINC000725378391 711664657 /nfs/dbraw/zinc/66/46/57/711664657.db2.gz NSLUWZCAVUYANO-UHFFFAOYSA-N 0 0 244.590 4.303 50 0 BIAARN Fc1ccc(Cl)cc1C(F)(F)C(F)(F)F ZINC000725378427 711470571 /nfs/dbraw/zinc/47/05/71/711470571.db2.gz YLABXHJUUDIBLF-UHFFFAOYSA-N 0 0 248.553 4.133 50 0 BIAARN CCCCCC(=CC(=O)OC)CCCCC ZINC000757190693 586435626 /nfs/dbraw/zinc/43/56/26/586435626.db2.gz BUQVKEQCDBEVQW-UHFFFAOYSA-N 0 0 226.360 4.246 50 0 BIAARN