smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(F)(F)F)c1 ZINC000010641059 209863473 /nfs/dbraw/zinc/86/34/73/209863473.db2.gz GMVPIBNADZWZHD-UHFFFAOYSA-N 0 0 378.394 5.214 20 0 GKADRN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(Cl)c(Cl)c1 ZINC000006337065 209643999 /nfs/dbraw/zinc/64/39/99/209643999.db2.gz NBMLQQWYQMHHBP-YRNVUSSQSA-N 0 0 377.658 5.301 20 0 GKADRN C[C@H](c1ccccc1)N(Cc1ccccc1)C(=S)Nc1ccc(F)c(Cl)c1 ZINC000006202098 209637385 /nfs/dbraw/zinc/63/73/85/209637385.db2.gz QFDRWCBZWHZTMV-MRXNPFEDSA-N 0 0 398.934 6.439 20 0 GKADRN Cc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000000904218 209277532 /nfs/dbraw/zinc/27/75/32/209277532.db2.gz FANYICFQHFKOGV-UHFFFAOYSA-N 0 0 391.521 5.398 20 0 GKADRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@]1(O)CCCc2ccccc21 ZINC000000603985 212164251 /nfs/dbraw/zinc/16/42/51/212164251.db2.gz BWMTYGJLJLEQSJ-DEOSSOPVSA-N 0 0 380.532 5.279 20 0 GKADRN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(-c2ccccc2Cl)o1 ZINC000016056019 212150366 /nfs/dbraw/zinc/15/03/66/212150366.db2.gz QXDGMAJYGYBGGP-UHFFFAOYSA-N 0 0 388.854 5.838 20 0 GKADRN Cc1nc([C@H]2CCCCCN2C(=O)Nc2c(C(C)C)cccc2C(C)C)no1 ZINC000359996369 212130843 /nfs/dbraw/zinc/13/08/43/212130843.db2.gz QYJOSXWUMBEOPV-LJQANCHMSA-N 0 0 384.524 5.774 20 0 GKADRN COc1ccc(C)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000007971347 212073492 /nfs/dbraw/zinc/07/34/92/212073492.db2.gz PRRPYZXLDBWMQO-UHFFFAOYSA-N 0 0 397.478 5.417 20 0 GKADRN C[C@H](Sc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000007838567 212073518 /nfs/dbraw/zinc/07/35/18/212073518.db2.gz LXCOXVLQVNHEQH-ZDUSSCGKSA-N 0 0 375.415 5.978 20 0 GKADRN COc1cc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc(OC)c1 ZINC000007969971 212073548 /nfs/dbraw/zinc/07/35/48/212073548.db2.gz RJSQRIFIALTZAC-OAQYLSRUSA-N 0 0 379.481 5.176 20 0 GKADRN COc1ccc(CCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000007794026 212072557 /nfs/dbraw/zinc/07/25/57/212072557.db2.gz SXXPRCZIHAEICQ-UHFFFAOYSA-N 0 0 388.492 5.543 20 0 GKADRN CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 ZINC000006459465 212069970 /nfs/dbraw/zinc/06/99/70/212069970.db2.gz YVVRSOBPXJVQJM-HSZRJFAPSA-N 0 0 383.495 5.208 20 0 GKADRN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(C)cc1 ZINC000007651957 212071634 /nfs/dbraw/zinc/07/16/34/212071634.db2.gz KRZGZWLYSNIQNG-UHFFFAOYSA-N 0 0 383.451 5.109 20 0 GKADRN COc1cc(NC(=O)c2oc3c(ccc4ccccc34)c2C)cc(OC)c1OC ZINC000007668524 212071655 /nfs/dbraw/zinc/07/16/55/212071655.db2.gz GCYVJTIXQWVVNU-UHFFFAOYSA-N 0 0 391.423 5.173 20 0 GKADRN CC(=O)Nc1ccc(NC(=O)c2cc(C)n(C3CCCCC3)c2C)cc1Cl ZINC000009980230 203781216 /nfs/dbraw/zinc/78/12/16/203781216.db2.gz UEAYVJCXJBZLSW-UHFFFAOYSA-N 0 0 387.911 5.474 20 0 GKADRN O=c1nc(CSc2ccc(Cl)cc2)[nH]c2scc(-c3ccccc3)c21 ZINC000005171410 204116637 /nfs/dbraw/zinc/11/66/37/204116637.db2.gz FIKYNPSGEPNKKI-UHFFFAOYSA-N 0 0 384.913 5.597 20 0 GKADRN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(C(F)(F)F)cc1 ZINC000006337062 204173859 /nfs/dbraw/zinc/17/38/59/204173859.db2.gz LCXQVDFWYRAUQR-FMIVXFBMSA-N 0 0 376.765 5.013 20 0 GKADRN Cc1nc(-c2ccc(NC(=O)CCc3nc4ccccc4s3)cc2)cs1 ZINC000007437837 204241370 /nfs/dbraw/zinc/24/13/70/204241370.db2.gz ZYNPFCLGXDUIBZ-UHFFFAOYSA-N 0 0 379.510 5.300 20 0 GKADRN COc1ccc2oc(C(=O)N[C@H](C)c3ccc(Br)cc3)c(C)c2c1 ZINC000007645397 204245305 /nfs/dbraw/zinc/24/53/05/204245305.db2.gz MFDHUHAWGQKGHC-GFCCVEGCSA-N 0 0 388.261 5.003 20 0 GKADRN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc2cc(Cl)ccc2o1 ZINC000007807435 204251187 /nfs/dbraw/zinc/25/11/87/204251187.db2.gz IBVMXXGUONKEJK-UHFFFAOYSA-N 0 0 387.826 5.882 20 0 GKADRN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000010421717 204334442 /nfs/dbraw/zinc/33/44/42/204334442.db2.gz RSKMKYRGZQAWAZ-UHFFFAOYSA-N 0 0 395.418 5.711 20 0 GKADRN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ncc(C)s2)cc1 ZINC000010626347 204336836 /nfs/dbraw/zinc/33/68/36/204336836.db2.gz WQWAELOFKHASNZ-UHFFFAOYSA-N 0 0 391.496 5.180 20 0 GKADRN CSc1ccccc1NC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000011341099 204344943 /nfs/dbraw/zinc/34/49/43/204344943.db2.gz GFGYBIQMXXVVGT-NSHDSACASA-N 0 0 382.348 5.290 20 0 GKADRN Cc1cc(Br)cc(C)c1NC(=O)c1cccc(Br)c1 ZINC000022147476 204774431 /nfs/dbraw/zinc/77/44/31/204774431.db2.gz FZGOUJNBCPCVEY-UHFFFAOYSA-N 0 0 383.083 5.081 20 0 GKADRN CCCCCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000008313656 209134550 /nfs/dbraw/zinc/13/45/50/209134550.db2.gz YNSHEBWDDRWOSK-UHFFFAOYSA-N 0 0 377.868 5.179 20 0 GKADRN Cc1csc(Sc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)n1 ZINC000007983872 209131975 /nfs/dbraw/zinc/13/19/75/209131975.db2.gz RXPBBJNSJMICSK-UHFFFAOYSA-N 0 0 382.539 5.158 20 0 GKADRN CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 ZINC000007408450 209131781 /nfs/dbraw/zinc/13/17/81/209131781.db2.gz APKDJIALZKCJCW-UHFFFAOYSA-N 0 0 388.467 5.213 20 0 GKADRN O=C(Cc1ccc(Cl)cc1Cl)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000007725477 209129818 /nfs/dbraw/zinc/12/98/18/209129818.db2.gz OUQMEBJVFHDQOU-UHFFFAOYSA-N 0 0 396.277 5.718 20 0 GKADRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3oc4ccccc4c3C)n2)cc1 ZINC000006328225 209125426 /nfs/dbraw/zinc/12/54/26/209125426.db2.gz QSGRODMFIBXYCA-UHFFFAOYSA-N 0 0 391.452 5.075 20 0 GKADRN O=C1CCCC[C@H]1Sc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 ZINC000006228819 209125447 /nfs/dbraw/zinc/12/54/47/209125447.db2.gz AXPTWVDHEKAHPA-LJQANCHMSA-N 0 0 397.931 5.251 20 0 GKADRN CC(=O)N(c1nc(CSc2ccc3ccccc3n2)cs1)c1ccccc1 ZINC000005626695 209125028 /nfs/dbraw/zinc/12/50/28/209125028.db2.gz BTCWNVWWCRZJDG-UHFFFAOYSA-N 0 0 391.521 5.668 20 0 GKADRN Cc1cc(Br)ccc1NC(=O)CSc1ccc2ccccc2n1 ZINC000005627308 209123293 /nfs/dbraw/zinc/12/32/93/209123293.db2.gz LOUIRWANTQTPQF-UHFFFAOYSA-N 0 0 387.302 5.037 20 0 GKADRN COc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC(F)F ZINC000006288788 209126942 /nfs/dbraw/zinc/12/69/42/209126942.db2.gz OEBGXEJLXPHQFK-UHFFFAOYSA-N 0 0 395.711 5.221 20 0 GKADRN C[C@H](Sc1nc2ccccc2c(=O)n1Cc1ccco1)c1c(F)cccc1F ZINC000071958702 205300626 /nfs/dbraw/zinc/30/06/26/205300626.db2.gz QSEUODPGQKAAKL-ZDUSSCGKSA-N 0 0 398.434 5.169 20 0 GKADRN Cc1ccc(NC(=O)CN[C@H](c2ccccc2)c2ccc(F)cc2)c(Cl)c1 ZINC000071982690 205302141 /nfs/dbraw/zinc/30/21/41/205302141.db2.gz IRCHPIVZFUIJFW-JOCHJYFZSA-N 0 0 382.866 5.105 20 0 GKADRN COc1ccc(-c2nc(C)c(C(=O)N(C)c3cc(C)cc(C)c3)s2)cc1OC ZINC000071987416 205302316 /nfs/dbraw/zinc/30/23/16/205302316.db2.gz XDTAWUAPOLZMLO-UHFFFAOYSA-N 0 0 396.512 5.029 20 0 GKADRN CC(C)NC(=O)Nc1cccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000072010489 205303013 /nfs/dbraw/zinc/30/30/13/205303013.db2.gz XTCTWMUFKJRKCG-OAQYLSRUSA-N 0 0 397.494 5.017 20 0 GKADRN CCc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1 ZINC000006124745 205820102 /nfs/dbraw/zinc/82/01/02/205820102.db2.gz QFPPUWLKYIGBJA-UHFFFAOYSA-N 0 0 387.302 5.387 20 0 GKADRN COc1ccc(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000007294629 206222606 /nfs/dbraw/zinc/22/26/06/206222606.db2.gz XCZZWNUYXHPZCA-SECBINFHSA-N 0 0 390.719 5.775 20 0 GKADRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1ccc(Br)cc1 ZINC000007604304 206222752 /nfs/dbraw/zinc/22/27/52/206222752.db2.gz IHMKRNFDSZTVCF-AWEZNQCLSA-N 0 0 392.362 6.000 20 0 GKADRN CC(=O)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)c1 ZINC000007968784 206222803 /nfs/dbraw/zinc/22/28/03/206222803.db2.gz LCKOYSOJOHQWSL-UHFFFAOYSA-N 0 0 395.462 5.303 20 0 GKADRN CCn1c2ccccc2nc1SCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000008807523 206224796 /nfs/dbraw/zinc/22/47/96/206224796.db2.gz QRNAIOVHBPPXFQ-UHFFFAOYSA-N 0 0 395.572 6.034 20 0 GKADRN C[C@@H](Sc1ccc(F)cc1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000004251674 206214614 /nfs/dbraw/zinc/21/46/14/206214614.db2.gz ZJTVIPIZATWWGS-SNVBAGLBSA-N 0 0 388.514 5.706 20 0 GKADRN CCN(C(=O)[C@@H](C)Sc1nc(C)nc2sc(C)c(C)c21)c1ccccc1 ZINC000005429065 206216149 /nfs/dbraw/zinc/21/61/49/206216149.db2.gz IUTHNQRTFDMZLW-CQSZACIVSA-N 0 0 385.558 5.150 20 0 GKADRN CCOc1cc(C(=O)Nc2cc(Cl)ccc2Cl)cc(OCC)c1OCC ZINC000005592976 206216461 /nfs/dbraw/zinc/21/64/61/206216461.db2.gz BSOOLFAWTXNZAA-UHFFFAOYSA-N 0 0 398.286 5.442 20 0 GKADRN O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1Cl ZINC000006222341 206217447 /nfs/dbraw/zinc/21/74/47/206217447.db2.gz AKGKVXFOEGLCKF-UHFFFAOYSA-N 0 0 393.693 5.478 20 0 GKADRN Cc1ccc(NC(=O)CSc2ccc3ccccc3n2)c(Br)c1 ZINC000005627496 206218042 /nfs/dbraw/zinc/21/80/42/206218042.db2.gz KDEKWXWGHJPFBW-UHFFFAOYSA-N 0 0 387.302 5.037 20 0 GKADRN CC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000006336958 206219464 /nfs/dbraw/zinc/21/94/64/206219464.db2.gz KDIIATQAZUJAAA-UHFFFAOYSA-N 0 0 375.268 5.179 20 0 GKADRN O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000007645019 206221133 /nfs/dbraw/zinc/22/11/33/206221133.db2.gz MLUFAPXQQMLFIZ-UHFFFAOYSA-N 0 0 390.430 5.335 20 0 GKADRN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccc(OC(F)F)c1 ZINC000007640764 206221533 /nfs/dbraw/zinc/22/15/33/206221533.db2.gz VOTJMACLNVAEKL-UHFFFAOYSA-N 0 0 380.803 5.317 20 0 GKADRN CCc1ccc(Cl)c(CC)c1NC(=O)Cc1ccc(Br)cc1 ZINC000007801681 206221575 /nfs/dbraw/zinc/22/15/75/206221575.db2.gz HJIAPLSLORUCCF-UHFFFAOYSA-N 0 0 380.713 5.409 20 0 GKADRN Cc1cccc(C(C)C)c1NC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000007264144 206221730 /nfs/dbraw/zinc/22/17/30/206221730.db2.gz ZAQJSWHWYKJGQV-UHFFFAOYSA-N 0 0 399.490 6.696 20 0 GKADRN CCc1ccc(Cl)c(CC)c1NC(=O)COc1ccc(Br)cc1 ZINC000007801730 206221972 /nfs/dbraw/zinc/22/19/72/206221972.db2.gz QMXJFUGSERZNMR-UHFFFAOYSA-N 0 0 396.712 5.245 20 0 GKADRN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000071968365 211066338 /nfs/dbraw/zinc/06/63/38/211066338.db2.gz RAEJJRKEEHVTNU-GUYCJALGSA-N 0 0 388.508 5.099 20 0 GKADRN Cn1c(SCc2cc3ccccc3nc2Cl)nnc1-c1ccccc1F ZINC000008572376 206755584 /nfs/dbraw/zinc/75/55/84/206755584.db2.gz VEFFPFATJLOOHA-UHFFFAOYSA-N 0 0 384.867 5.115 20 0 GKADRN COc1cc2c(cc1NC(=O)CSc1ncccc1Cl)oc1ccccc12 ZINC000011033505 206820364 /nfs/dbraw/zinc/82/03/64/206820364.db2.gz YTALDKYFPBXOIT-UHFFFAOYSA-N 0 0 398.871 5.374 20 0 GKADRN CC(C)OCc1cccc(NC(=O)c2[nH]c3ccccc3c2Br)c1 ZINC000064323693 210938262 /nfs/dbraw/zinc/93/82/62/210938262.db2.gz ALNNCJRCVXJGOU-UHFFFAOYSA-N 0 0 387.277 5.108 20 0 GKADRN COc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000013934125 207004600 /nfs/dbraw/zinc/00/46/00/207004600.db2.gz TVNSHHKXYXNMIL-UHFFFAOYSA-N 0 0 395.233 5.830 20 0 GKADRN Cc1ccc(-c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)c(C)c1 ZINC000014393195 207020693 /nfs/dbraw/zinc/02/06/93/207020693.db2.gz MESHGOJTVBFSMJ-UHFFFAOYSA-N 0 0 376.403 5.698 20 0 GKADRN COc1ccccc1CCC(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000014604022 207025057 /nfs/dbraw/zinc/02/50/57/207025057.db2.gz ZAZHAVGMTRHFGM-UHFFFAOYSA-N 0 0 388.492 5.543 20 0 GKADRN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C(C)C)cc3)n2)cc1 ZINC000015991877 207070098 /nfs/dbraw/zinc/07/00/98/207070098.db2.gz BGFLVDGQTVVKRF-UHFFFAOYSA-N 0 0 379.485 5.144 20 0 GKADRN C[C@H](Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000018594295 207098469 /nfs/dbraw/zinc/09/84/69/207098469.db2.gz CSOKZABYGKTKSU-QMMMGPOBSA-N 0 0 395.780 5.756 20 0 GKADRN Cc1nc(CSc2ccc(C(=O)Nc3ccc(C)cc3Cl)cc2)cs1 ZINC000023681747 207281195 /nfs/dbraw/zinc/28/11/95/207281195.db2.gz GHVHDDQHMRCINE-UHFFFAOYSA-N 0 0 388.945 5.958 20 0 GKADRN COc1ccc2cc([C@H](C)C(=O)N[C@@H]3CCSc4ccc(F)cc43)ccc2c1 ZINC000024343628 207290470 /nfs/dbraw/zinc/29/04/70/207290470.db2.gz BVIDOBOQFPDOLI-LHSJRXKWSA-N 0 0 395.499 5.444 20 0 GKADRN COc1cccc2c1CC[C@H](NC(=O)Nc1c(C(C)C)cccc1C(C)C)C2 ZINC000026376700 207313745 /nfs/dbraw/zinc/31/37/45/207313745.db2.gz DBODTVOBTMFLHW-SFHVURJKSA-N 0 0 380.532 5.621 20 0 GKADRN CC[C@@H]1CCCC[C@@H]1NC(=O)c1sc(NC(=O)c2cccc(F)c2)cc1C ZINC000071955765 207964909 /nfs/dbraw/zinc/96/49/09/207964909.db2.gz PJOGLLVGTCHENJ-PBHICJAKSA-N 0 0 388.508 5.147 20 0 GKADRN COCc1c(C(=O)N(C)[C@H](C)c2cc(F)ccc2F)sc2cccc(F)c21 ZINC000097161009 208341827 /nfs/dbraw/zinc/34/18/27/208341827.db2.gz WZLZVDJWHLWRLI-LLVKDONJSA-N 0 0 393.430 5.298 20 0 GKADRN CCN(C(=O)c1cc(C)nc2onc(C)c21)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000097174790 208342222 /nfs/dbraw/zinc/34/22/22/208342222.db2.gz VQHBHCAIXQJKFI-CYBMUJFWSA-N 0 0 391.393 5.082 20 0 GKADRN CC(C)c1nc2cc(NC(=O)Cc3ccc(F)c(Br)c3)ccc2o1 ZINC000108321299 208440231 /nfs/dbraw/zinc/44/02/31/208440231.db2.gz DJYRYHLDRHWMNJ-UHFFFAOYSA-N 0 0 391.240 5.034 20 0 GKADRN Cc1cc(Cl)ccc1NC(=S)N(Cc1ccccc1)Cc1ccccc1 ZINC000020352569 210329422 /nfs/dbraw/zinc/32/94/22/210329422.db2.gz YZRZQWWXNDBBJW-UHFFFAOYSA-N 0 0 380.944 6.048 20 0 GKADRN CCc1ccc(Cl)c(CC)c1NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000007801539 221012846 /nfs/dbraw/zinc/01/28/46/221012846.db2.gz RABZSQQAKIIYSF-UHFFFAOYSA-N 0 0 384.932 5.770 20 0 GKADRN CCCOc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OCC ZINC000008268745 221034193 /nfs/dbraw/zinc/03/41/93/221034193.db2.gz PVGQBGXRSCMGMQ-UHFFFAOYSA-N 0 0 377.868 5.097 20 0 GKADRN CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2ccccc2n1C ZINC000008807856 221059640 /nfs/dbraw/zinc/05/96/40/221059640.db2.gz RGBORFGMGMRCGE-UHFFFAOYSA-N 0 0 381.545 5.551 20 0 GKADRN CC(=O)Nc1cccc(C(=O)N[C@@H](c2cccs2)c2ccc(C(C)C)cc2)c1 ZINC000010102496 221096585 /nfs/dbraw/zinc/09/65/85/221096585.db2.gz QCYZDBAEFDKNMM-JOCHJYFZSA-N 0 0 392.524 5.349 20 0 GKADRN CC(=O)c1cccc(NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)c1 ZINC000011435092 221115477 /nfs/dbraw/zinc/11/54/77/221115477.db2.gz SGRJPUNYUCNFSC-OAQYLSRUSA-N 0 0 379.456 5.500 20 0 GKADRN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCc2sccc2C1 ZINC000012215858 221167817 /nfs/dbraw/zinc/16/78/17/221167817.db2.gz YALUJNVYTQRPDH-UHFFFAOYSA-N 0 0 376.506 5.223 20 0 GKADRN Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c2ccccc2n1 ZINC000014604122 221311791 /nfs/dbraw/zinc/31/17/91/221311791.db2.gz PJLIGSHCNDVJHL-UHFFFAOYSA-N 0 0 395.487 6.072 20 0 GKADRN Cc1csc(N(C(=O)Cc2coc3cc(C)c(C)cc23)c2ccccc2)n1 ZINC000014586668 221311966 /nfs/dbraw/zinc/31/19/66/221311966.db2.gz OHLQAIQLVFPMHB-UHFFFAOYSA-N 0 0 376.481 5.722 20 0 GKADRN Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000014391173 221309870 /nfs/dbraw/zinc/30/98/70/221309870.db2.gz 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CC(=O)Nc1cccc(C(=O)N[C@H](c2cccs2)c2ccc(C(C)C)cc2)c1 ZINC000010102494 204330578 /nfs/dbraw/zinc/33/05/78/204330578.db2.gz QCYZDBAEFDKNMM-QFIPXVFZSA-N 0 0 392.524 5.349 20 0 GKADRN Cc1ccc(-c2csc3ncn(Cc4cccc5cccnc54)c(=O)c23)cc1 ZINC000010497690 204336330 /nfs/dbraw/zinc/33/63/30/204336330.db2.gz JYGCFPDXRZGUMA-UHFFFAOYSA-N 0 0 383.476 5.030 20 0 GKADRN CCc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C ZINC000010641881 204337011 /nfs/dbraw/zinc/33/70/11/204337011.db2.gz VIEMELOJIULWDS-UHFFFAOYSA-N 0 0 384.483 5.067 20 0 GKADRN O=C(COc1cccc(C(F)(F)F)c1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000010860405 204338890 /nfs/dbraw/zinc/33/88/90/204338890.db2.gz IVSOFVLQDJDDNO-UHFFFAOYSA-N 0 0 398.595 5.683 20 0 GKADRN Cc1c(-c2ccccc2)sc2ncn(Cc3ccccc3OC(F)F)c(=O)c12 ZINC000011010139 204341826 /nfs/dbraw/zinc/34/18/26/204341826.db2.gz BTVFOXQTKRKTBS-UHFFFAOYSA-N 0 0 398.434 5.083 20 0 GKADRN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000014604298 204538070 /nfs/dbraw/zinc/53/80/70/204538070.db2.gz 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