smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(/C=N/c2ccc(Oc3ccc(Cl)cc3)cc2)s1 ZINC000001045700 219357285 /nfs/dbraw/zinc/35/72/85/219357285.db2.gz AWXWGKDKLBOEIP-YBFXNURJSA-N 0 0 358.806 5.853 10 30 FKEERN Cc1ccc2nc(-c3ccc(/N=C/c4cccc(O)c4O)cc3)sc2c1 ZINC000001227803 210336785 /nfs/dbraw/zinc/33/67/85/210336785.db2.gz BJSTUWLAJKAZSO-WSDLNYQXSA-N 0 0 360.438 5.434 10 30 FKEERN CCN(CC)c1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)c(O)c1 ZINC000001228026 520883153 /nfs/dbraw/zinc/88/31/53/520883153.db2.gz KLSFIGKLSSGYFN-JJIBRWJFSA-N 0 0 360.457 5.781 10 30 FKEERN C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1NC1CCCCC1 ZINC000001467961 203859952 /nfs/dbraw/zinc/85/99/52/203859952.db2.gz FZPQOFZBNHARPC-UHFFFAOYSA-N 0 0 358.489 5.531 10 30 FKEERN N#C[C@@H](c1ccc(Br)cc1)C1c2ccccc2-c2ccccc21 ZINC000001601597 204014222 /nfs/dbraw/zinc/01/42/22/204014222.db2.gz MXRNQAKNDOXLOT-FQEVSTJZSA-N 0 0 360.254 5.869 10 30 FKEERN C[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3cccc(Cl)c3)sc2C1 ZINC000001909298 210374758 /nfs/dbraw/zinc/37/47/58/210374758.db2.gz KVXWQKLVZGRHQB-WMADIVHISA-N 0 0 356.878 5.050 10 30 FKEERN C[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccccc3Cl)sc2C1 ZINC000001959706 210376516 /nfs/dbraw/zinc/37/65/16/210376516.db2.gz IGODAWANSYYTQV-CRALRDPISA-N 0 0 356.878 5.050 10 30 FKEERN CCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000002041037 520041736 /nfs/dbraw/zinc/04/17/36/520041736.db2.gz YAFOVCNAQTZDQB-UHFFFAOYSA-N 0 0 362.406 6.630 10 30 FKEERN Cc1c(/C=C/C(=O)/C=C/c2sc3ccccc3c2C)sc2ccccc12 ZINC000002151171 204027645 /nfs/dbraw/zinc/02/76/45/204027645.db2.gz SZCQZLNFSLGHEO-PHEQNACWSA-N 0 0 374.530 7.029 10 30 FKEERN O=C1c2ccccc2S/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000002191825 204028609 /nfs/dbraw/zinc/02/86/09/204028609.db2.gz UTJXEMLNXRZYKV-FYJGNVAPSA-N 0 0 362.425 5.734 10 30 FKEERN CC(=C/c1ccccc1)/C=C1\S/C(=N\c2cccc(Cl)c2)NC1=O ZINC000002411527 210076013 /nfs/dbraw/zinc/07/60/13/210076013.db2.gz QZVKWPAHBBJEBY-VHDJGTGISA-N 0 0 354.862 5.178 10 30 FKEERN CC(=C/c1ccccc1)/C=C1\S/C(=N\c2ccc(Cl)cc2)NC1=O ZINC000002433777 210076545 /nfs/dbraw/zinc/07/65/45/210076545.db2.gz BWHSFTRUFFZNEW-RQGFIEOQSA-N 0 0 354.862 5.178 10 30 FKEERN Cc1onc(-c2c(Cl)cccc2Cl)c1/C=N/c1ccc(Cl)cc1 ZINC000002576645 204045497 /nfs/dbraw/zinc/04/54/97/204045497.db2.gz WGILGXIYQPRWPU-ZVBGSRNCSA-N 0 0 365.647 6.361 10 30 FKEERN Clc1ccc(/C=N/c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1 ZINC000002727376 204053521 /nfs/dbraw/zinc/05/35/21/204053521.db2.gz QILRFNKAXSULPV-KPSZGOFPSA-N 0 0 353.463 6.704 10 30 FKEERN CCOc1ccccc1/C=N/c1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000002842476 210428656 /nfs/dbraw/zinc/42/86/56/210428656.db2.gz PQHSSRGRMNUVOR-BUVRLJJBSA-N 0 0 372.493 6.421 10 30 FKEERN BrC(=CN=Nc1nc2ccccc2s1)Cc1ccccc1 ZINC000002907234 204065972 /nfs/dbraw/zinc/06/59/72/204065972.db2.gz IHKXCMICVXHQGX-HWVXOFFASA-N 0 0 358.264 5.130 10 30 FKEERN CC(=O)c1cccc(N=Cc2ccc(Sc3cccc4cccnc43)o2)c1 ZINC000003079573 518414160 /nfs/dbraw/zinc/41/41/60/518414160.db2.gz DKYMSCTXNRGNGI-ZVHZXABRSA-N 0 0 372.449 5.932 10 30 FKEERN COC(=O)c1ccc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000003083335 204078147 /nfs/dbraw/zinc/07/81/47/204078147.db2.gz FFIGIZWLGAUWKP-OEAKJJBVSA-N 0 0 372.449 5.501 10 30 FKEERN O=C1CS/C(=N\c2cccc3ccccc32)N1c1cccc2ccccc21 ZINC000003094717 219486960 /nfs/dbraw/zinc/48/69/60/219486960.db2.gz VWVBXDOGWUTVOH-VHXPQNKSSA-N 0 0 368.461 5.761 10 30 FKEERN CC(C)(O)C#Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000003101834 519332754 /nfs/dbraw/zinc/33/27/54/519332754.db2.gz NMOWXCBCTOZSOI-UHFFFAOYSA-N 0 0 355.481 5.016 10 30 FKEERN Cc1cc(O)cc(O)c1/C=N/c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000003113119 571344845 /nfs/dbraw/zinc/34/48/45/571344845.db2.gz AQQNJNNSIXGNKZ-FOKLQQMPSA-N 0 0 362.360 5.104 10 30 FKEERN N#Cc1cc(-c2ccc(Cl)cc2)cnc1Sc1ccc(Cl)cc1 ZINC000003133095 204079143 /nfs/dbraw/zinc/07/91/43/204079143.db2.gz PWZJCQVNDHUAJH-UHFFFAOYSA-N 0 0 357.265 6.078 10 30 FKEERN Cc1ccc2nc(-c3ccc(/N=C/c4cccc(Cl)c4)cc3)sc2c1 ZINC000003140066 204079835 /nfs/dbraw/zinc/07/98/35/204079835.db2.gz SMUBGCCCWKTLDJ-YDZHTSKRSA-N 0 0 362.885 6.676 10 30 FKEERN CCOP(=O)(C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)OCC ZINC000003141112 571345099 /nfs/dbraw/zinc/34/50/99/571345099.db2.gz XNCDRSDRMCCONF-UHFFFAOYSA-N 0 0 354.427 5.664 10 30 FKEERN COc1cc(/C=N\c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC ZINC000003152317 522011579 /nfs/dbraw/zinc/01/15/79/522011579.db2.gz ILNMMPZYEPHJJO-HAHDFKILSA-N 0 0 363.413 5.255 10 30 FKEERN Clc1ccc(/C=N/N=C/c2ccccc2Br)c(Cl)c1 ZINC000003172610 570553534 /nfs/dbraw/zinc/55/35/34/570553534.db2.gz AZXSAFDCRAONNV-GCBPPVMSSA-N 0 0 356.050 5.209 10 30 FKEERN O=[N+]([O-])c1cc(/C=N\c2ccc(Oc3ccccc3)cc2)ccc1Cl ZINC000003193292 204081242 /nfs/dbraw/zinc/08/12/42/204081242.db2.gz HMUMKSXDYGWWQH-BKUYFWCQSA-N 0 0 352.777 5.791 10 30 FKEERN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000003232140 219493488 /nfs/dbraw/zinc/49/34/88/219493488.db2.gz BGWRZMFLGKBCSH-UHFFFAOYSA-N 0 0 362.395 5.795 10 30 FKEERN O=[N+]([O-])c1cc(/N=C/C(Br)=C/c2ccccc2)ccc1Cl ZINC000003240340 210457462 /nfs/dbraw/zinc/45/74/62/210457462.db2.gz FSINMFBQORMCDP-DVHDXZMDSA-N 0 0 365.614 5.387 10 30 FKEERN O=[N+]([O-])c1ccccc1/C=C/C=N/N=C(c1ccccc1)c1ccccc1 ZINC000003271342 527395683 /nfs/dbraw/zinc/39/56/83/527395683.db2.gz XBOABALBBNNQJD-ZDERQUDASA-N 0 0 355.397 5.131 10 30 FKEERN COc1ccc2ccccc2c1/C=N/N=C/c1c(OC)ccc2ccccc21 ZINC000003277023 204086593 /nfs/dbraw/zinc/08/65/93/204086593.db2.gz SPJPGDNWZBVHGX-RYQLWAFASA-N 0 0 368.436 5.463 10 30 FKEERN CC[C@H]1CSC(=Nc2ccc(C)cc2C)N1CC(=O)c1ccc(C)cc1 ZINC000003289595 523354502 /nfs/dbraw/zinc/35/45/02/523354502.db2.gz XDNDHKWIWKTDFZ-CWJYSFMFSA-N 0 0 366.530 5.310 10 30 FKEERN CC[C@@H]1CSC(=Nc2ccc(C)cc2C)N1CC(=O)c1ccc(C)cc1 ZINC000003289601 523519431 /nfs/dbraw/zinc/51/94/31/523519431.db2.gz XDNDHKWIWKTDFZ-VCGVYRDQSA-N 0 0 366.530 5.310 10 30 FKEERN O=[N+]([O-])c1ccccc1CC=CN=Nc1nc(Cl)c(Cl)cc1Cl ZINC000003445370 210479712 /nfs/dbraw/zinc/47/97/12/210479712.db2.gz CLEAMESAWMLANJ-KDOXUUJXSA-N 0 0 371.611 5.061 10 30 FKEERN O=C1SC(c2ccccc2)=CC1=CNc1nc(-c2ccccc2)cs1 ZINC000003633356 219522846 /nfs/dbraw/zinc/52/28/46/219522846.db2.gz SYLQCTLHOQSYBW-VBKFSLOCSA-N 0 0 362.479 5.420 10 30 FKEERN O=C(C=CNc1cccc(C(F)(F)F)c1)c1cnc(-c2ccccc2)s1 ZINC000004051972 527652646 /nfs/dbraw/zinc/65/26/46/527652646.db2.gz ZHKFTSYOAASQQG-KTKRTIGZSA-N 0 0 374.387 5.637 10 30 FKEERN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)C=CNc1ccc(C)cc1 ZINC000004052128 204119587 /nfs/dbraw/zinc/11/95/87/204119587.db2.gz RGODSCJAJSXRHK-QXMHVHEDSA-N 0 0 368.889 5.889 10 30 FKEERN C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)OC ZINC000004102176 560196612 /nfs/dbraw/zinc/19/66/12/560196612.db2.gz LUEYTMPPCOCKBX-KWYHTCOPSA-N 0 0 373.606 6.367 10 30 in-vitro FKEERN Oc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000004181640 210514511 /nfs/dbraw/zinc/51/45/11/210514511.db2.gz NEGMCPBIEUXOAG-DSFGOLIASA-N 0 0 366.464 5.969 10 30 FKEERN Oc1ccccc1/C=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004181641 204126028 /nfs/dbraw/zinc/12/60/28/204126028.db2.gz NEGMCPBIEUXOAG-YJBCMRPPSA-N 0 0 366.464 5.969 10 30 FKEERN Oc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004181642 207006312 /nfs/dbraw/zinc/00/63/12/207006312.db2.gz NEGMCPBIEUXOAG-JBUVYWMZSA-N 0 0 366.464 5.969 10 30 FKEERN CCC(=O)O[C@H]1CCC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004215499 560197429 /nfs/dbraw/zinc/19/74/29/560197429.db2.gz VBXGBFDLNSIXQO-WAUHAFJUSA-N 0 0 358.522 5.230 10 30 in-vitro FKEERN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2OC1=CCCC1 ZINC000004217390 570581265 /nfs/dbraw/zinc/58/12/65/570581265.db2.gz IUVKMZGDUIUOCP-BTNSXGMBSA-N 0 0 352.518 5.747 10 30 in-man FKEERN O=C(/C=C/c1cc(Br)cs1)c1ccc(Cl)c(Cl)c1 ZINC000004276769 204130093 /nfs/dbraw/zinc/13/00/93/204130093.db2.gz WDBQLLUPNITGAT-DUXPYHPUSA-N 0 0 362.075 5.714 10 30 FKEERN O=C(/C=C/c1c2ccccc2cc2ccccc21)c1cccc2ccccc21 ZINC000004280467 207011550 /nfs/dbraw/zinc/01/15/50/207011550.db2.gz PJNDOPWSXRTVFI-WUKNDPDISA-N 0 0 358.440 7.042 10 30 FKEERN O=C(/C=C/c1c2ccccc2cc2ccccc21)c1ccc2ccccc2c1 ZINC000004280468 207010257 /nfs/dbraw/zinc/01/02/57/207010257.db2.gz PCTWPKLTQOSEEH-FOCLMDBBSA-N 0 0 358.440 7.042 10 30 FKEERN COc1ccc(/C=C/C(=O)c2c(OC)cccc2OCc2ccccc2)cc1 ZINC000004280582 523400572 /nfs/dbraw/zinc/40/05/72/523400572.db2.gz GLBABBUTLSCQDL-DTQAZKPQSA-N 0 0 374.436 5.179 10 30 FKEERN CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)ccc1O ZINC000004300168 207011525 /nfs/dbraw/zinc/01/15/25/207011525.db2.gz CYVDGZYJHHYIIU-FBCYGCLPSA-N 0 0 364.059 5.842 10 30 FKEERN Cc1ccc(NC(=S)N/C(=N\C=C(Cl)Cl)c2ccccc2)cc1 ZINC000004509495 570807394 /nfs/dbraw/zinc/80/73/94/570807394.db2.gz HBXZIWBYXNEBDP-UHFFFAOYSA-N 0 0 364.301 5.005 10 30 FKEERN CCOc1ccc2c(c1)S/C(=C1/C=Cc3cc(C)ccc3N1CC)C2=O ZINC000004624331 132823692 /nfs/dbraw/zinc/82/36/92/132823692.db2.gz MWBDNXUWZFIVRI-QOCHGBHMSA-N 0 0 363.482 5.447 10 30 FKEERN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004721050 560199713 /nfs/dbraw/zinc/19/97/13/560199713.db2.gz GLUQJSAOAFURSM-GHSKVMHMSA-N 0 0 370.621 7.207 10 30 in-vitro FKEERN CC(=CC(=O)c1ccc2ccccc2c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000004760898 518412445 /nfs/dbraw/zinc/41/24/45/518412445.db2.gz JQNLORURPVGCPO-OWBHPGMISA-N 0 0 371.358 5.937 10 30 FKEERN CCN(Cc1ccccc1)c1ccc(C=[NH+][N-]c2ccc(Cl)cc2)cc1 ZINC000004867322 521372944 /nfs/dbraw/zinc/37/29/44/521372944.db2.gz LYUXFPSWKUHLAI-LFVJCYFKSA-N 0 0 363.892 5.813 10 30 FKEERN CCN(CC)c1ccc(C=[NH+][N-]c2ccnc3cc(Cl)ccc23)cc1 ZINC000004869449 207057844 /nfs/dbraw/zinc/05/78/44/207057844.db2.gz AGWBCQKBQMHKBQ-OEAKJJBVSA-N 0 0 352.869 5.180 10 30 FKEERN Brc1cccc(/C=N/N(Cc2ccccc2)c2ccccc2)c1 ZINC000004920970 518219190 /nfs/dbraw/zinc/21/91/90/518219190.db2.gz IMLSZVUUKQLGNJ-PXLXIMEGSA-N 0 0 365.274 5.490 10 30 FKEERN CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000004922513 204177242 /nfs/dbraw/zinc/17/72/42/204177242.db2.gz NQZSPYQEQBEQNM-QGMBQPNBSA-N 0 0 358.612 5.391 10 30 FKEERN COc1ccc2ccccc2c1/C=N/N(Cc1ccccc1)c1ccccc1 ZINC000004923679 525650161 /nfs/dbraw/zinc/65/01/61/525650161.db2.gz KZEBIRKEAIQXEJ-NLRVBDNBSA-N 0 0 366.464 5.889 10 30 FKEERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1/N=C/c1c(O)ccc2ccccc21 ZINC000004964395 207066894 /nfs/dbraw/zinc/06/68/94/207066894.db2.gz BKMZCSAVWHJBJW-LSHDLFTRSA-N 0 0 360.291 5.223 10 30 FKEERN O=[N+]([O-])c1ccc(/N=C/c2ccc3ccccc3c2)c(Br)c1 ZINC000004977728 570615296 /nfs/dbraw/zinc/61/52/96/570615296.db2.gz CWZKVVLBCUPABA-YBFXNURJSA-N 0 0 355.191 5.261 10 30 FKEERN CSc1cccc2sc(Nc3sc4c(c3C#N)CCCC4)nc21 ZINC000005122800 207082260 /nfs/dbraw/zinc/08/22/60/207082260.db2.gz XYPQMSWPPABXHX-UHFFFAOYSA-N 0 0 357.529 5.574 10 30 FKEERN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Cl ZINC000005174775 219658144 /nfs/dbraw/zinc/65/81/44/219658144.db2.gz BENNASCMHHJLCO-CIAFOILYSA-N 0 0 368.824 5.102 10 30 FKEERN CC(C)c1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000005189585 263339406 /nfs/dbraw/zinc/33/94/06/263339406.db2.gz URSGHFFYMKAANT-SAPNQHFASA-N 0 0 356.465 6.285 10 30 FKEERN CCOc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000005196885 263339456 /nfs/dbraw/zinc/33/94/56/263339456.db2.gz ZKWXMUJLQILKJT-SAPNQHFASA-N 0 0 358.437 5.560 10 30 FKEERN CCc1cc2c(cc1C(=O)/C=C/c1cccs1)C(C)(C)CCC2(C)C ZINC000005197335 207086149 /nfs/dbraw/zinc/08/61/49/207086149.db2.gz LFZMOFCOCVBLRY-MDZDMXLPSA-N 0 0 352.543 6.556 10 30 FKEERN CN(C)c1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000005208020 263339089 /nfs/dbraw/zinc/33/90/89/263339089.db2.gz HBSXHUNFBFPIHS-SAPNQHFASA-N 0 0 357.453 5.228 10 30 FKEERN COc1cc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000005210319 263339317 /nfs/dbraw/zinc/33/93/17/263339317.db2.gz IMMBKJGNTJGOKG-OUKQBFOZSA-N 0 0 374.436 5.179 10 30 FKEERN COc1ccc(OC)c(/C=C/C(=O)c2ccccc2OCc2ccccc2)c1 ZINC000005210479 263339053 /nfs/dbraw/zinc/33/90/53/263339053.db2.gz CKXXTJICVZJTJO-WYMLVPIESA-N 0 0 374.436 5.179 10 30 FKEERN COc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 ZINC000005210524 263339416 /nfs/dbraw/zinc/33/94/16/263339416.db2.gz VPKGSTRWJBWEDN-FYWRMAATSA-N 0 0 374.436 5.179 10 30 FKEERN COc1ccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)cc1OC ZINC000005210877 263339073 /nfs/dbraw/zinc/33/90/73/263339073.db2.gz MISYPOXVTAJJML-WYMLVPIESA-N 0 0 374.436 5.179 10 30 FKEERN COc1cccc(/C=C/C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000005211035 263338982 /nfs/dbraw/zinc/33/89/82/263338982.db2.gz OXOOWKAQWKFVBS-FOCLMDBBSA-N 0 0 374.436 5.179 10 30 FKEERN Cc1cc(C)c(/C=C/C(=O)c2ccccc2OCc2ccccc2)c(C)c1 ZINC000005212226 263339568 /nfs/dbraw/zinc/33/95/68/263339568.db2.gz SIKMBWWJHUQIHT-BUHFOSPRSA-N 0 0 356.465 6.087 10 30 FKEERN COc1ccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)c2ccccc12 ZINC000005249078 204199719 /nfs/dbraw/zinc/19/97/19/204199719.db2.gz PMPPNZSHDSUPPZ-BXAKLECKSA-N 0 0 365.436 7.014 10 30 FKEERN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005252461 207090939 /nfs/dbraw/zinc/09/09/39/207090939.db2.gz UDKYLNSKRYJKFU-FPYGCLRLSA-N 0 0 355.699 5.163 10 30 FKEERN O=C(/C=C/c1cc2c(s1)-c1cc(Cl)ccc1OC2)c1ccc(F)cc1 ZINC000005252629 204200312 /nfs/dbraw/zinc/20/03/12/204200312.db2.gz YTEQLCWNHLNPOF-VOTSOKGWSA-N 0 0 370.832 5.996 10 30 FKEERN O=C(/C=C/c1ccc2ccccc2c1)c1ccccc1OCc1ccccc1 ZINC000005279090 527622822 /nfs/dbraw/zinc/62/28/22/527622822.db2.gz KJXKTKQESSHFLK-BMRADRMJSA-N 0 0 364.444 6.315 10 30 FKEERN CC(=O)C(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000005283338 207091214 /nfs/dbraw/zinc/09/12/14/207091214.db2.gz VFMZNWQBFDUAKS-YBEGLDIGSA-N 0 0 373.296 5.766 10 30 FKEERN CCCCCOc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 ZINC000005297848 520248584 /nfs/dbraw/zinc/24/85/84/520248584.db2.gz UJYJYLNWIKHZEH-VGOFMYFVSA-N 0 0 373.290 5.914 10 30 FKEERN CCCCCOc1ccc(C(=O)/C=C/c2ccco2)cc1OCCCCC ZINC000005297904 520250451 /nfs/dbraw/zinc/25/04/51/520250451.db2.gz BGJNPKAYFIGNEX-OUKQBFOZSA-N 0 0 370.489 6.314 10 30 FKEERN CCCCOc1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1OCCCC ZINC000005298476 520858137 /nfs/dbraw/zinc/85/81/37/520858137.db2.gz SZWILRLLGDLMJQ-UKTHLTGXSA-N 0 0 370.464 6.080 10 30 FKEERN CCCCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005315507 207093451 /nfs/dbraw/zinc/09/34/51/207093451.db2.gz MVKMKUHSGHKEDT-QURGRASLSA-N 0 0 351.410 5.530 10 30 FKEERN CCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000005316489 204202200 /nfs/dbraw/zinc/20/22/00/204202200.db2.gz BHOOSPBGGKYHCM-QURGRASLSA-N 0 0 371.828 5.712 10 30 FKEERN CCOc1ccc(C(=O)/C=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000005316815 570623544 /nfs/dbraw/zinc/62/35/44/570623544.db2.gz YLAKBCOPHDXLFT-FOCLMDBBSA-N 0 0 352.433 6.288 10 30 FKEERN Cn1c2ccccc2c2cc(-c3ccccc3)c(C#N)c(-c3ccccc3)c21 ZINC000005331203 204203055 /nfs/dbraw/zinc/20/30/55/204203055.db2.gz FRNTZLFXIKWLQU-UHFFFAOYSA-N 0 0 358.444 6.537 10 30 FKEERN N#Cc1c(N)c(C(=O)c2ccccc2)c(-c2ccccc2)cc1-c1ccccc1 ZINC000005332067 207095077 /nfs/dbraw/zinc/09/50/77/207095077.db2.gz VWFVGCDALDEICG-UHFFFAOYSA-N 0 0 374.443 5.705 10 30 FKEERN COc1ccc(-c2ccc(/C=C/C(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000005360804 204204322 /nfs/dbraw/zinc/20/43/22/204204322.db2.gz XSFGGWFPFDWYSL-ZRDIBKRKSA-N 0 0 354.858 5.973 10 30 FKEERN COc1ccc(-c2ccc(/C=C/C(=O)c3ccc(Cl)s3)s2)cc1 ZINC000005360805 263340025 /nfs/dbraw/zinc/34/00/25/263340025.db2.gz JLUIBHPPWZIVCT-SOFGYWHQSA-N 0 0 360.887 6.035 10 30 FKEERN O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ccc(/N=N/c3ccccc3)cc2)c1 ZINC000005369948 207097545 /nfs/dbraw/zinc/09/75/45/207097545.db2.gz UTEIJUFUJLBTTG-HLCVAHGCSA-N 0 0 364.792 6.414 10 30 FKEERN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(Br)cc2)c1 ZINC000005377722 210152673 /nfs/dbraw/zinc/15/26/73/210152673.db2.gz UILINQCNOUGMOK-UHFFFAOYSA-N 0 0 373.294 5.539 10 30 in-vitro FKEERN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(Br)c2)c1 ZINC000005377735 203829435 /nfs/dbraw/zinc/82/94/35/203829435.db2.gz YYAHSLWDDLZBOI-UHFFFAOYSA-N 0 0 373.294 5.539 10 30 FKEERN C/C(=N/OCC(=O)Nc1c(C(C)C)cccc1C(C)C)c1cccs1 ZINC000005408188 263341054 /nfs/dbraw/zinc/34/10/54/263341054.db2.gz DQBHHDSAYLGYRT-JCMHNJIXSA-N 0 0 358.507 5.374 10 30 FKEERN CCCOC(=O)c1ccc(/N=C\c2ccc(OCc3ccccc3)cc2)cc1 ZINC000005431125 520222156 /nfs/dbraw/zinc/22/21/56/520222156.db2.gz QHPXWUQTMJLPHM-UQQQWYQISA-N 0 0 373.452 5.583 10 30 FKEERN O=C(/C(=C/c1ccc(Cl)cc1)Oc1ccccc1O)c1ccccc1 ZINC000005446368 527590912 /nfs/dbraw/zinc/59/09/12/527590912.db2.gz PIMHSILUVSUCTB-ZHZULCJRSA-N 0 0 350.801 5.348 10 30 FKEERN CC(N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000005446532 204210022 /nfs/dbraw/zinc/21/00/22/204210022.db2.gz DHBKQTWFWUOQCX-AWQFTUOYSA-N 0 0 357.719 5.103 10 30 FKEERN CC(C)=CCCC(C)C=CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005505300 519402541 /nfs/dbraw/zinc/40/25/41/519402541.db2.gz PYSAKFGPHRENQE-MPBWTNTLSA-N 0 0 355.360 5.704 10 30 FKEERN C=CCOc1ccc2c(c1)Oc1ccccc1C(CC)=C2c1ccccc1 ZINC000005509281 210104886 /nfs/dbraw/zinc/10/48/86/210104886.db2.gz FLHHKPBRUGMVKM-UHFFFAOYSA-N 0 0 354.449 6.726 10 30 FKEERN O=C(/C=C/c1ccc(Cl)cc1Cl)c1cc2c(cc1Cl)OCCO2 ZINC000005511526 570629077 /nfs/dbraw/zinc/62/90/77/570629077.db2.gz SLBWLEHYMDDDDD-DUXPYHPUSA-N 0 0 369.631 5.314 10 30 FKEERN O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 ZINC000005512876 527604799 /nfs/dbraw/zinc/60/47/99/527604799.db2.gz GASMKFGEAHHJFU-CSKARUKUSA-N 0 0 353.761 5.404 10 30 FKEERN C=C[C@@H]([C@H](Nc1ccccc1Cl)c1ccccc1)n1nnc2ccccc21 ZINC000005517771 210106590 /nfs/dbraw/zinc/10/65/90/210106590.db2.gz FWUISKMHGHEDTP-RBBKRZOGSA-N 0 0 374.875 5.665 10 30 FKEERN C=C[C@H]([C@@H](Nc1ccccc1Cl)c1ccccc1)n1nnc2ccccc21 ZINC000005517807 210105894 /nfs/dbraw/zinc/10/58/94/210105894.db2.gz FWUISKMHGHEDTP-IRLDBZIGSA-N 0 0 374.875 5.665 10 30 FKEERN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C)cc1C ZINC000005570775 204216585 /nfs/dbraw/zinc/21/65/85/204216585.db2.gz UASHKYUFFWZDNX-LPYMAVHISA-N 0 0 362.433 5.065 10 30 FKEERN Clc1cccc(Cl)c1/C=N\c1ccc(/N=N/c2ccccc2)cc1 ZINC000005600858 210632539 /nfs/dbraw/zinc/63/25/39/210632539.db2.gz BAPKSYCAXZDVIA-SFPXKAPDSA-N 0 0 354.240 7.159 10 30 FKEERN CC(=O)N(C)c1ccc(/N=C\c2c3ccccc3cc3ccccc32)cc1 ZINC000005631739 207109343 /nfs/dbraw/zinc/10/93/43/207109343.db2.gz ODXCWAPZXSNQQN-XYGWBWBKSA-N 0 0 352.437 5.726 10 30 FKEERN O=C(/C=C/c1c2ccccc2cc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000005669480 570632955 /nfs/dbraw/zinc/63/29/55/570632955.db2.gz PAWCFCOGEUIBAW-ZHACJKMWSA-N 0 0 366.416 5.660 10 30 FKEERN Cc1cc(OCC(=O)ON=C2CCC(c3ccccc3)CC2)ccc1Cl ZINC000005679992 525367249 /nfs/dbraw/zinc/36/72/49/525367249.db2.gz JIJAFHOCIPZAHW-UHFFFAOYSA-N 0 0 371.864 5.284 10 30 FKEERN CCOc1ccc(/N=C2\CCCCCN2C(=O)NC2CCCCC2)cc1 ZINC000005718654 204222550 /nfs/dbraw/zinc/22/25/50/204222550.db2.gz LPIAQHUSXSDXPG-LSDHQDQOSA-N 0 0 357.498 5.034 10 30 FKEERN CC[C@]1(C)C[C@](CC/N=C/c2ccccc2O)(c2ccc(F)cc2)CCO1 ZINC000005719070 570633769 /nfs/dbraw/zinc/63/37/69/570633769.db2.gz TYKGSDXLJOYBRK-NHNPKLJZSA-N 0 0 369.480 5.257 10 30 FKEERN CC[C@@]1(C)C[C@](CC/N=C/c2ccccc2O)(c2ccc(F)cc2)CCO1 ZINC000005719179 207113167 /nfs/dbraw/zinc/11/31/67/207113167.db2.gz TYKGSDXLJOYBRK-UHSPTLNFSA-N 0 0 369.480 5.257 10 30 FKEERN CSc1ccc(/C=C\C(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000005721351 204222489 /nfs/dbraw/zinc/22/24/89/204222489.db2.gz SWFDZKFFEJMROY-SXGWCWSVSA-N 0 0 373.477 5.557 10 30 FKEERN CC(=NNc1ccccc1)c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000005725189 207115505 /nfs/dbraw/zinc/11/55/05/207115505.db2.gz XPZLRYLODMKQPS-XYGWBWBKSA-N 0 0 360.501 5.696 10 30 FKEERN CC(C)(C)c1cc(C=NNc2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1O ZINC000005726711 570634454 /nfs/dbraw/zinc/63/44/54/570634454.db2.gz MWSIAOSEWABCEQ-LPYMAVHISA-N 0 0 369.465 5.341 10 30 FKEERN CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1OC(F)F ZINC000005784159 207116344 /nfs/dbraw/zinc/11/63/44/207116344.db2.gz FJBDOUSPVYRMLP-WSDLNYQXSA-N 0 0 371.343 5.186 10 30 FKEERN Clc1cc(Cl)c(NN=Cc2cccc(Cl)c2Cl)c(Cl)c1 ZINC000005785203 210641831 /nfs/dbraw/zinc/64/18/31/210641831.db2.gz YGONDFIFXRJQEX-KPSZGOFPSA-N 0 0 368.478 6.400 10 30 FKEERN CCCCCOc1ccc(CN=Nc2c(F)c(F)cc(F)c2F)cc1 ZINC000005792502 520251449 /nfs/dbraw/zinc/25/14/49/520251449.db2.gz HYNJYVWAPVRDCY-FOKLQQMPSA-N 0 0 354.347 5.258 10 30 FKEERN CCCN(/N=C/c1ccc2c(c1)c1ccccc1n2CC)c1ccccc1 ZINC000005793327 521411887 /nfs/dbraw/zinc/41/18/87/521411887.db2.gz MBCHWAJBDVFUDK-XIEYBQDHSA-N 0 0 355.485 6.065 10 30 FKEERN Cc1ccc(NC(=S)N/N=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000005798822 204226122 /nfs/dbraw/zinc/22/61/22/204226122.db2.gz NGHNKBHVVWQOKW-BUVRLJJBSA-N 0 0 369.493 5.622 10 30 FKEERN C(=N\c1ccc(Nc2ccccc2)cc1)\c1c2ccccc2cc2ccccc21 ZINC000005800111 204225417 /nfs/dbraw/zinc/22/54/17/204225417.db2.gz QEAULXMWBXBRBZ-USHMODERSA-N 0 0 372.471 7.487 10 30 FKEERN O=C1N/C(=N\c2ccc3ccccc3c2)S/C1=C\c1ccc(Cl)cc1 ZINC000005804717 210641860 /nfs/dbraw/zinc/64/18/60/210641860.db2.gz JIUFENOWKJHZOF-WQRHYEAKSA-N 0 0 364.857 5.385 10 30 FKEERN CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005819902 207117620 /nfs/dbraw/zinc/11/76/20/207117620.db2.gz UCNQPYVHDCHENM-CGRIZKAYSA-N 0 0 372.549 5.620 10 30 in-vitro FKEERN C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C(C)(C)CCCCCC)cc1O ZINC000005820248 206709065 /nfs/dbraw/zinc/70/90/65/206709065.db2.gz MPJURNPNPDQYSY-LEWJYISDSA-N 0 0 370.577 7.362 10 30 in-vitro FKEERN CCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O ZINC000005863566 207120260 /nfs/dbraw/zinc/12/02/60/207120260.db2.gz HLBCBIMBVGSKMM-HMAPJEAMSA-N 0 0 370.404 5.285 10 30 FKEERN COc1ccc(/C=C/C(=O)c2ccc(C#CCC3CCCCC3)s2)cc1 ZINC000005916699 523400488 /nfs/dbraw/zinc/40/04/88/523400488.db2.gz PKHJXLXJNNPZJC-FOWTUZBSSA-N 0 0 364.510 5.975 10 30 FKEERN CCN(CC)c1ccc(C=Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc1 ZINC000005927881 570638933 /nfs/dbraw/zinc/63/89/33/570638933.db2.gz RDODCKMLVONEFH-FSJBWODESA-N 0 0 360.383 5.179 10 30 FKEERN FC(F)(F)c1nc2cc(N=Cc3cccc(Br)c3)ccc2[nH]1 ZINC000005942027 570638846 /nfs/dbraw/zinc/63/88/46/570638846.db2.gz YDIZXDBMJVRZTJ-DNTJNYDQSA-N 0 0 368.156 5.095 10 30 FKEERN COc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 ZINC000005942861 219705589 /nfs/dbraw/zinc/70/55/89/219705589.db2.gz BMBQXFYYYGUEQO-OEAKJJBVSA-N 0 0 358.466 6.031 10 30 FKEERN O=C(Nc1cccc(Cl)c1)c1cccc(/N=C\c2ccc(F)cc2)c1 ZINC000005944115 207124296 /nfs/dbraw/zinc/12/42/96/207124296.db2.gz JXFACSCTEPMIGQ-QRVIBDJDSA-N 0 0 352.796 5.482 10 30 FKEERN N#Cc1c(NC(=O)c2ccc(C3CCCCC3)cc2)sc2c1CCCC2 ZINC000005944729 207124211 /nfs/dbraw/zinc/12/42/11/207124211.db2.gz VZDCMMZXLURNJL-UHFFFAOYSA-N 0 0 364.514 5.799 10 30 FKEERN O=C(/C=C/c1ccccc1Cl)c1ccc(C#CCC2CCCCC2)s1 ZINC000005945744 527635271 /nfs/dbraw/zinc/63/52/71/527635271.db2.gz OQIFWXRPOFGDOM-FYWRMAATSA-N 0 0 368.929 6.620 10 30 FKEERN C(=N\c1ccc(Oc2ccccc2)cc1)\c1c2ccccc2cc2ccccc21 ZINC000005947504 204232295 /nfs/dbraw/zinc/23/22/95/204232295.db2.gz GDPLEIGARIRJRW-USHMODERSA-N 0 0 373.455 7.536 10 30 FKEERN O=[N+]([O-])c1cc(/N=C\c2c3ccccc3cc3ccccc23)ccc1Cl ZINC000005949000 204231927 /nfs/dbraw/zinc/23/19/27/204231927.db2.gz GWQKWLATLPKFNW-QRVIBDJDSA-N 0 0 360.800 6.305 10 30 FKEERN C/C(=N/OC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 ZINC000006021784 518454527 /nfs/dbraw/zinc/45/45/27/518454527.db2.gz VZNVWQACUJCSNL-UUYOSTAYSA-N 0 0 374.223 5.834 10 30 FKEERN Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 ZINC000006064361 204235737 /nfs/dbraw/zinc/23/57/37/204235737.db2.gz YTKHBUSETBZGNN-QRVIBDJDSA-N 0 0 356.421 5.499 10 30 FKEERN Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O ZINC000006072581 219713169 /nfs/dbraw/zinc/71/31/69/219713169.db2.gz LYKRPEXRGHPZKR-UUYOSTAYSA-N 0 0 360.384 5.329 10 30 FKEERN C(=N/c1ccc(Cc2ccc(/N=C/c3ccco3)cc2)cc1)\c1ccco1 ZINC000006093484 219714314 /nfs/dbraw/zinc/71/43/14/219714314.db2.gz MAKABEVBNIJHPX-MUPYBJATSA-N 0 0 354.409 5.965 10 30 FKEERN CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000006500172 204250607 /nfs/dbraw/zinc/25/06/07/204250607.db2.gz ROEIROHDVYUAGF-ZEQQQVMLSA-N 0 0 371.565 5.049 10 30 FKEERN CCCCC[C@H]1O[C@H]1C[C@H]1O[C@H]1CCCCCCCCCC(=O)OCC ZINC000006756650 207161863 /nfs/dbraw/zinc/16/18/63/207161863.db2.gz PEZIQWVKZYIKRH-IVAOSVALSA-N 0 0 368.558 5.566 10 30 in-vitro FKEERN CCCCC[C@H]1O[C@@H]1C[C@H]1O[C@H]1CCCCCCCCCC(=O)OCC ZINC000006756656 207161762 /nfs/dbraw/zinc/16/17/62/207161762.db2.gz PEZIQWVKZYIKRH-PLACYPQZSA-N 0 0 368.558 5.566 10 30 in-vitro FKEERN CCCCC[C@@H]1O[C@H]1C[C@H]1O[C@H]1CCCCCCCCCC(=O)OCC ZINC000006756693 207161670 /nfs/dbraw/zinc/16/16/70/207161670.db2.gz PEZIQWVKZYIKRH-XSDIEEQYSA-N 0 0 368.558 5.566 10 30 in-vitro FKEERN CCCCC[C@@H]1O[C@@H]1C[C@H]1O[C@H]1CCCCCCCCCC(=O)OCC ZINC000006756696 207161720 /nfs/dbraw/zinc/16/17/20/207161720.db2.gz PEZIQWVKZYIKRH-UWHLTILDSA-N 0 0 368.558 5.566 10 30 in-vitro FKEERN c1ccc(N/N=C(\Sc2cccc3cccnc32)c2ccccc2)cc1 ZINC000006884764 526480216 /nfs/dbraw/zinc/48/02/16/526480216.db2.gz WMJYEBITWGFILL-LVWGJNHUSA-N 0 0 355.466 5.801 10 30 FKEERN O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1cccc(F)c1 ZINC000006926047 207178318 /nfs/dbraw/zinc/17/83/18/207178318.db2.gz HGYZKCUCFKMWFW-NHDPSOOVSA-N 0 0 364.347 5.160 10 30 FKEERN Cc1sc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000006933519 204282839 /nfs/dbraw/zinc/28/28/39/204282839.db2.gz OOMJHDWLPLYVFE-FZSIALSZSA-N 0 0 364.641 5.371 10 30 FKEERN N#Cc1ccccc1-c1ccccc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000007278198 568485636 /nfs/dbraw/zinc/48/56/36/568485636.db2.gz CXYYUBUMVQHGHX-QHCPKHFHSA-N 0 0 352.437 5.033 10 30 FKEERN N#Cc1ccccc1-c1ccccc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000007278205 568485591 /nfs/dbraw/zinc/48/55/91/568485591.db2.gz CXYYUBUMVQHGHX-HSZRJFAPSA-N 0 0 352.437 5.033 10 30 FKEERN COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c(=S)c2C#N)cc1 ZINC000008492815 219863160 /nfs/dbraw/zinc/86/31/60/219863160.db2.gz SNAYORRVMLZWPT-UHFFFAOYSA-N 0 0 352.846 5.238 10 30 FKEERN Cc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000008549892 210789580 /nfs/dbraw/zinc/78/95/80/210789580.db2.gz QPDGAZBZENZHMQ-NTEUORMPSA-N 0 0 363.269 5.193 10 30 FKEERN C=CCOc1ccc(C(=O)Nc2ccccc2C(C)C)cc1Br ZINC000009695607 210136465 /nfs/dbraw/zinc/13/64/65/210136465.db2.gz HYXNUZARPZACDQ-UHFFFAOYSA-N 0 0 374.278 5.390 10 30 FKEERN C=C(C)COc1ccc(NC(=O)c2ccc(OCCCCCC)cc2)cc1 ZINC000009813472 210137908 /nfs/dbraw/zinc/13/79/08/210137908.db2.gz KSIKUIBHMCNQLP-UHFFFAOYSA-N 0 0 367.489 5.853 10 30 FKEERN C=C(C)COc1ccc(NC(=O)c2ccc(OCCCCC)cc2)cc1 ZINC000009813478 210136444 /nfs/dbraw/zinc/13/64/44/210136444.db2.gz UTFPOGZWQYWQLA-UHFFFAOYSA-N 0 0 353.462 5.463 10 30 FKEERN C=C(C)COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 ZINC000009813624 210136825 /nfs/dbraw/zinc/13/68/25/210136825.db2.gz LTYZMCVFGWMTOT-QGZVFWFLSA-N 0 0 353.462 5.171 10 30 FKEERN C=C(C)COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000009813664 219885834 /nfs/dbraw/zinc/88/58/34/219885834.db2.gz KMASUCNUZJAFBZ-UHFFFAOYSA-N 0 0 373.452 5.473 10 30 FKEERN C=C(C)COc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000009813825 210137356 /nfs/dbraw/zinc/13/73/56/210137356.db2.gz BHIUHZNAAIBHLC-KRWDZBQOSA-N 0 0 367.489 5.345 10 30 FKEERN C=C(C)COc1cccc(NC(=O)c2ccc(OCCCCC)cc2)c1 ZINC000009824214 210137393 /nfs/dbraw/zinc/13/73/93/210137393.db2.gz GYALXJMXXOQRKR-UHFFFAOYSA-N 0 0 353.462 5.463 10 30 FKEERN C=C(C)COc1cccc(NC(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000009824245 210137684 /nfs/dbraw/zinc/13/76/84/210137684.db2.gz DBXSQOJTTMWYFK-UHFFFAOYSA-N 0 0 353.462 5.319 10 30 FKEERN C=C(C)COc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000009877469 203851043 /nfs/dbraw/zinc/85/10/43/203851043.db2.gz CXSFZHKKCVPQPO-UHFFFAOYSA-N 0 0 359.425 5.686 10 30 FKEERN C=C(C)COc1ccccc1C(=O)Nc1cccc(OCc2ccccc2)c1 ZINC000009877975 219886864 /nfs/dbraw/zinc/88/68/64/219886864.db2.gz VZVRXDWMFKUHFA-UHFFFAOYSA-N 0 0 373.452 5.473 10 30 FKEERN N#Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000011822673 210102427 /nfs/dbraw/zinc/10/24/27/210102427.db2.gz SONJSPLVXTUIBP-UHFFFAOYSA-N 0 0 357.034 5.207 10 30 FKEERN COc1cc(/C=N/O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000011828810 263368309 /nfs/dbraw/zinc/36/83/09/263368309.db2.gz DXXSQEUIMGJGHL-FBCYGCLPSA-N 0 0 360.624 5.043 10 30 FKEERN CC#CCOc1ccc(CN(C(=O)c2ccc(C)s2)C2CCCC2)cc1 ZINC000012149175 519344181 /nfs/dbraw/zinc/34/41/81/519344181.db2.gz NJGNLNBWYGLHRO-UHFFFAOYSA-N 0 0 367.514 5.044 10 30 FKEERN COC(=O)c1ccccc1O/C(=N/c1c(C)cccc1C)c1ccccc1 ZINC000012559901 204474905 /nfs/dbraw/zinc/47/49/05/204474905.db2.gz RAZWBFGVMIGARQ-ZNTNEXAZSA-N 0 0 359.425 5.247 10 30 FKEERN CC[C@H](C(=O)C=Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000013405449 523750710 /nfs/dbraw/zinc/75/07/10/523750710.db2.gz MDGSZSJIRYOQHA-FEADRFCZSA-N 0 0 356.506 5.299 10 30 FKEERN COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2cc1OC ZINC000013470095 204531046 /nfs/dbraw/zinc/53/10/46/204531046.db2.gz IUZCVUGIDCZCEQ-UHFFFAOYSA-N 0 0 374.227 5.174 10 30 FKEERN CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)cc2C ZINC000014128154 220108324 /nfs/dbraw/zinc/10/83/24/220108324.db2.gz SABKBGUARPNLAS-UHFFFAOYSA-N 0 0 358.570 6.011 10 30 FKEERN C=C(C/C=C(\C)CCC=C(C)C)CCC(C)(C)/C=C/CC/C(C)=C/CO ZINC000014594603 518649468 /nfs/dbraw/zinc/64/94/68/518649468.db2.gz OIQGIUGCYRSAKT-MSMWCOSMSA-N 0 0 358.610 7.707 10 30 FKEERN C=CC/C=C\C/C=C\CCCCCCCc1c(O)c(OC)cc(OC)c1O ZINC000014639176 560223513 /nfs/dbraw/zinc/22/35/13/560223513.db2.gz PIAHTJGIQDTXBU-HZJYTTRNSA-N 0 0 374.521 6.077 10 30 in-vitro FKEERN C=CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c1 ZINC000014783771 203859045 /nfs/dbraw/zinc/85/90/45/203859045.db2.gz SCJGINHDZWEGNV-SFHVURJKSA-N 0 0 373.452 5.324 10 30 FKEERN [N-]=[N+]=Nc1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000015022645 526391632 /nfs/dbraw/zinc/39/16/32/526391632.db2.gz AYNDYYNSTUVHQO-UHFFFAOYSA-N 0 0 357.369 5.335 10 30 FKEERN N#CCc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000015029730 211114702 /nfs/dbraw/zinc/11/47/02/211114702.db2.gz RXJADHWOQXWRQX-UHFFFAOYSA-N 0 0 370.330 5.284 10 30 FKEERN C=CC(=O)N(c1ccccc1)[C@@H](C#N)c1ccccc1OCc1ccccc1 ZINC000016848740 518670380 /nfs/dbraw/zinc/67/03/80/518670380.db2.gz ODUZVYKWMHKIIB-QFIPXVFZSA-N 0 0 368.436 5.049 10 30 FKEERN C=CC(=O)N(c1ccccc1)[C@H](C#N)c1ccccc1OCc1ccccc1 ZINC000016848742 518671060 /nfs/dbraw/zinc/67/10/60/518671060.db2.gz ODUZVYKWMHKIIB-JOCHJYFZSA-N 0 0 368.436 5.049 10 30 FKEERN CCN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1cccc(O)c1 ZINC000016935834 211173927 /nfs/dbraw/zinc/17/39/27/211173927.db2.gz GCVMEFSIEZWVIT-JDJFWADASA-N 0 0 374.465 5.169 10 30 FKEERN CCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)S/C1=N\c1ccc(O)cc1 ZINC000016935912 211173776 /nfs/dbraw/zinc/17/37/76/211173776.db2.gz VKFYSQDGUXKOBM-DPBNUBQISA-N 0 0 366.486 5.140 10 30 FKEERN CCN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1ccc(O)cc1 ZINC000016935994 211173524 /nfs/dbraw/zinc/17/35/24/211173524.db2.gz WUSLHKCZISBNJF-DJOYVXLESA-N 0 0 374.465 5.169 10 30 FKEERN COc1ccc(C(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c(OC)c1 ZINC000017124121 523544698 /nfs/dbraw/zinc/54/46/98/523544698.db2.gz LGONKLASQBMSBA-GDNBJRDFSA-N 0 0 374.436 5.179 10 30 FKEERN O=C1NC(=Nc2ccccc2)C(=Cc2cccc(Br)c2)S1 ZINC000018169815 220226516 /nfs/dbraw/zinc/22/65/16/220226516.db2.gz PUUOOMZOLUOVPI-UVTDQMKNSA-N 0 0 359.248 5.181 10 30 FKEERN CCCc1sc(N=NCc2ccccn2)nc1-c1ccc(C)c(C)c1 ZINC000018173242 521613046 /nfs/dbraw/zinc/61/30/46/521613046.db2.gz XUTMEGCDTQWWQO-LPYMAVHISA-N 0 0 350.491 5.220 10 30 FKEERN CCCCC1CCC(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000019993900 211263154 /nfs/dbraw/zinc/26/31/54/211263154.db2.gz NCPAMDBPOXHGAN-QQFBHYJXSA-N 0 0 358.551 5.680 10 30 FKEERN C/C(=C\c1ccc(Cl)cc1Cl)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000020074533 571327864 /nfs/dbraw/zinc/32/78/64/571327864.db2.gz LBPBEKNUFVKNSG-LRELXJSQSA-N 0 0 362.212 5.587 10 30 FKEERN CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 ZINC000020159953 518465226 /nfs/dbraw/zinc/46/52/26/518465226.db2.gz OUBJVGGTICZXKN-CJLVFECKSA-N 0 0 361.401 5.010 10 30 FKEERN Cc1sc(C=NNc2ccc(C(F)(F)F)cc2)cc1Br ZINC000020295402 570914395 /nfs/dbraw/zinc/91/43/95/570914395.db2.gz MWDSWKYPXJMTMO-CNHKJKLMSA-N 0 0 363.202 5.284 10 30 FKEERN CC(C)(C)C(=O)CSc1nc(-c2cccs2)c2c(c1C#N)CCCC2 ZINC000020312866 518556298 /nfs/dbraw/zinc/55/62/98/518556298.db2.gz OIBSQWLFFVTKRB-UHFFFAOYSA-N 0 0 370.543 5.268 10 30 FKEERN N#Cc1cccc(CNc2c(Cl)cc(Br)cc2Cl)c1 ZINC000020505713 206337478 /nfs/dbraw/zinc/33/74/78/206337478.db2.gz XVJDFPQMHYBGCH-UHFFFAOYSA-N 0 0 356.050 5.240 10 30 FKEERN N#Cc1c2nc(N)c(C#N)c(-c3ccccc3)c2sc1Nc1ccccc1 ZINC000020530162 211285602 /nfs/dbraw/zinc/28/56/02/211285602.db2.gz KWLFYIIXMDGMBJ-UHFFFAOYSA-N 0 0 367.437 5.032 10 30 FKEERN O=C(/C=C/c1ccc(C(F)(F)F)cc1)/C=C\c1ccc(C(F)(F)F)cc1 ZINC000021299289 571144315 /nfs/dbraw/zinc/14/43/15/571144315.db2.gz OIUBVYQZMUKRRF-JTAXDKCCSA-N 0 0 370.292 6.020 10 30 FKEERN CCCCC[C@@H]1CC[C@@H]2C[C@@H](OC(=O)c3ccc(C#N)cc3)CC[C@@H]2C1 ZINC000021981659 220372614 /nfs/dbraw/zinc/37/26/14/220372614.db2.gz OXZATOZCOBSUCE-CIQXWFTPSA-N 0 0 353.506 5.880 10 30 FKEERN C=CCN(C(=O)c1ccc(-c2cccc(Cl)c2)s1)C1CCCCC1 ZINC000022629660 518737048 /nfs/dbraw/zinc/73/70/48/518737048.db2.gz KDMLMUIQCAWHFQ-UHFFFAOYSA-N 0 0 359.922 6.029 10 30 FKEERN C=C(C)CN(CC)c1nc(-c2cccc(Cl)c2Cl)nc2ccccc21 ZINC000023319997 570497263 /nfs/dbraw/zinc/49/72/63/570497263.db2.gz MHFOIBSZDXLLAQ-UHFFFAOYSA-N 0 0 372.299 6.006 10 30 FKEERN N#Cc1cccc(CSc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000024710982 207874239 /nfs/dbraw/zinc/87/42/39/207874239.db2.gz GWZQMSFMUFLFRS-UHFFFAOYSA-N 0 0 359.479 5.522 10 30 FKEERN CC(C)(C)c1cc(/C=N\[C@@H]2c3ccccc3C[C@@H]2O)c(O)c(C(C)(C)C)c1 ZINC000025760079 207904062 /nfs/dbraw/zinc/90/40/62/207904062.db2.gz MMNHXVSQIRTBOZ-FDLVDNKFSA-N 0 0 365.517 5.064 10 30 FKEERN Cc1ccc(C(=O)/C=C/c2nc3ccccc3n2[C@@H](C)c2ccccc2)cc1 ZINC000026462923 204851551 /nfs/dbraw/zinc/85/15/51/204851551.db2.gz BLBPJCBZSDRWBL-PIOKWQJESA-N 0 0 366.464 5.850 10 30 FKEERN C=CCn1c(-c2ccc(Cl)c(Cl)c2)cs/c1=N\c1ccccc1 ZINC000027299011 209722682 /nfs/dbraw/zinc/72/26/82/209722682.db2.gz APLOFRNAKFSVLI-UZYVYHOESA-N 0 0 361.297 5.942 10 30 FKEERN CC1(C)S/C(=N\c2ccccc2)N(c2ccccc2)[C@@]1(O)c1ccccc1 ZINC000027526873 520616188 /nfs/dbraw/zinc/61/61/88/520616188.db2.gz UKXWUJFTUVHWPB-KXNAUXDSSA-N 0 0 374.509 5.551 10 30 FKEERN CC1(C)S/C(=N\c2ccccc2)N(c2ccccc2)[C@]1(O)c1ccccc1 ZINC000027526875 520617302 /nfs/dbraw/zinc/61/73/02/520617302.db2.gz UKXWUJFTUVHWPB-HHUUSFLGSA-N 0 0 374.509 5.551 10 30 FKEERN C=CCc1ccccc1OCc1ccc(C(=O)Nc2cc(C)ccc2F)o1 ZINC000028236865 519146564 /nfs/dbraw/zinc/14/65/64/519146564.db2.gz HZCIWCOECAVIGD-UHFFFAOYSA-N 0 0 365.404 5.287 10 30 FKEERN CCCC/C=C\CCCCCCCCC=C1C(=O)C(=O)CC(OC)C1=O ZINC000028541331 291087479 /nfs/dbraw/zinc/08/74/79/291087479.db2.gz WVHQJXPRVZBEFP-SREVYHEPSA-N 0 0 362.510 5.738 10 30 biogenic,in-vitro FKEERN CC1CC(=Cc2ccc(N=[N+]=[N-])cc2)C(=O)C(=Cc2ccc(N=[N+]=[N-])cc2)C1 ZINC000031308297 208012513 /nfs/dbraw/zinc/01/25/13/208012513.db2.gz MLIWQXBKMZNZNF-MZGHLJKDSA-N 0 0 370.416 7.036 10 30 FKEERN CSc1nsc(-c2ccc(OCCc3ccccc3)cc2)c1C#N ZINC000032066924 220652035 /nfs/dbraw/zinc/65/20/35/220652035.db2.gz XXJURCRMHFSNMK-UHFFFAOYSA-N 0 0 352.484 5.025 10 30 FKEERN O=C(/C=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 ZINC000032179374 527653756 /nfs/dbraw/zinc/65/37/56/527653756.db2.gz GASMKFGEAHHJFU-NTMALXAHSA-N 0 0 353.761 5.404 10 30 FKEERN CN(C)c1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000032241799 522130844 /nfs/dbraw/zinc/13/08/44/522130844.db2.gz HBSXHUNFBFPIHS-VKAVYKQESA-N 0 0 357.453 5.228 10 30 FKEERN O=C1/C(=C\c2ccccc2)CN(Cc2ccccc2)C/C1=C/c1ccccc1 ZINC000033286949 208081339 /nfs/dbraw/zinc/08/13/39/208081339.db2.gz VATOZJIGHBQVFX-YFJQDTPYSA-N 0 0 365.476 5.239 10 30 FKEERN Cc1ccc(CSc2nncn2/N=C\c2ccc(C(C)(C)C)cc2)cc1 ZINC000033343456 524652173 /nfs/dbraw/zinc/65/21/73/524652173.db2.gz FPUDJZHYUKTRFS-QRVIBDJDSA-N 0 0 364.518 5.059 10 30 FKEERN Cc1ccccc1COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000033348387 208088590 /nfs/dbraw/zinc/08/85/90/208088590.db2.gz JPOKIUABPAZDAX-ORSAQNTLSA-N 0 0 368.432 5.746 10 30 FKEERN Cc1ccc(COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1 ZINC000033348414 204967856 /nfs/dbraw/zinc/96/78/56/204967856.db2.gz QMWZKMZKPQQHRD-ABVWVXPPSA-N 0 0 368.432 5.746 10 30 FKEERN O=C1c2ccc(OCc3ccccc3)cc2O/C1=C\C=C\c1ccccc1 ZINC000033348551 208088648 /nfs/dbraw/zinc/08/86/48/208088648.db2.gz JIINMUYZLMTIOQ-CDSBARFGSA-N 0 0 354.405 5.438 10 30 FKEERN CCc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)cc1 ZINC000033365736 208088256 /nfs/dbraw/zinc/08/82/56/208088256.db2.gz CJBZHXAVNWNZEF-QRVIBDJDSA-N 0 0 374.411 5.583 10 30 FKEERN CCc1ccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)cc1 ZINC000033365802 204966980 /nfs/dbraw/zinc/96/69/80/204966980.db2.gz ZTBNNPDXKBVUBX-OYKKKHCWSA-N 0 0 370.448 5.753 10 30 FKEERN CCc1ccc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)cc1 ZINC000033365855 208088847 /nfs/dbraw/zinc/08/88/47/208088847.db2.gz CHBCJCJKJPKOOL-UCQKPKSFSA-N 0 0 356.421 5.444 10 30 FKEERN O=C1c2ccc(OCc3ccccc3F)cc2O/C1=C\C=C\c1ccccc1 ZINC000033368964 208088693 /nfs/dbraw/zinc/08/86/93/208088693.db2.gz UPVWPUVPBCUBNS-YEJNLHJGSA-N 0 0 372.395 5.577 10 30 FKEERN O=C(/C=C\c1cc(Br)cs1)c1ccc(Cl)c(Cl)c1 ZINC000033373943 208088214 /nfs/dbraw/zinc/08/82/14/208088214.db2.gz WDBQLLUPNITGAT-RQOWECAXSA-N 0 0 362.075 5.714 10 30 FKEERN Cc1cccc(C(=O)/C=C\C2=C([NH+]3CCCCCC3)Cc3ccccc32)c1 ZINC000033374208 208088453 /nfs/dbraw/zinc/08/84/53/208088453.db2.gz ZCAQEGDWUKAAOA-YPKPFQOOSA-N 0 0 357.497 5.577 10 30 FKEERN CCc1cc2c(cc1C(=O)/C=C\c1cccs1)C(C)(C)CCC2(C)C ZINC000033374236 208088877 /nfs/dbraw/zinc/08/88/77/208088877.db2.gz LFZMOFCOCVBLRY-KTKRTIGZSA-N 0 0 352.543 6.556 10 30 FKEERN COc1ccc(/C=C\C(=O)c2ccc(C#CCC3CCCCC3)s2)cc1 ZINC000033376405 523432704 /nfs/dbraw/zinc/43/27/04/523432704.db2.gz PKHJXLXJNNPZJC-VBKFSLOCSA-N 0 0 364.510 5.975 10 30 FKEERN O=C(/C=C\c1ccccc1Cl)c1ccc(C#CCC2CCCCC2)s1 ZINC000033376406 527657533 /nfs/dbraw/zinc/65/75/33/527657533.db2.gz OQIFWXRPOFGDOM-SQFISAMPSA-N 0 0 368.929 6.620 10 30 FKEERN O=C(O/N=C\C=C(/Cl)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000033376431 526413944 /nfs/dbraw/zinc/41/39/44/526413944.db2.gz CCJZSNDUCRJVMO-VZZYJFRKSA-N 0 0 354.620 5.416 10 30 FKEERN O=C(O/N=C\C=C(\Cl)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000033376432 204968646 /nfs/dbraw/zinc/96/86/46/204968646.db2.gz CCJZSNDUCRJVMO-PFFVTLOASA-N 0 0 354.620 5.416 10 30 FKEERN Cc1c(/C=C\C(=O)/C=C\c2sc3ccccc3c2C)sc2ccccc12 ZINC000033376458 525519654 /nfs/dbraw/zinc/51/96/54/525519654.db2.gz SZCQZLNFSLGHEO-XSYHWHKQSA-N 0 0 374.530 7.029 10 30 FKEERN Cc1c(/C=C/C(=O)/C=C\c2sc3ccccc3c2C)sc2ccccc12 ZINC000033376459 525514582 /nfs/dbraw/zinc/51/45/82/525514582.db2.gz SZCQZLNFSLGHEO-HEEUSZRZSA-N 0 0 374.530 7.029 10 30 FKEERN COc1cccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000033376546 525770187 /nfs/dbraw/zinc/77/01/87/525770187.db2.gz OXOOWKAQWKFVBS-NXVVXOECSA-N 0 0 374.436 5.179 10 30 FKEERN COc1cc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000033376547 521984483 /nfs/dbraw/zinc/98/44/83/521984483.db2.gz IMMBKJGNTJGOKG-SEYXRHQNSA-N 0 0 374.436 5.179 10 30 FKEERN Cc1cc(C)c(/C=C\C(=O)c2ccccc2OCc2ccccc2)c(C)c1 ZINC000033376548 524211698 /nfs/dbraw/zinc/21/16/98/524211698.db2.gz SIKMBWWJHUQIHT-YPKPFQOOSA-N 0 0 356.465 6.087 10 30 FKEERN O=C(/C=C\c1ccccc1)c1ccc2ccccc2c1OCc1ccccc1 ZINC000033376556 527657701 /nfs/dbraw/zinc/65/77/01/527657701.db2.gz POKLBKPZDGJDTP-SDXDJHTJSA-N 0 0 364.444 6.315 10 30 FKEERN O=C(/C=C\c1ccccc1)c1c(OCc2ccccc2)ccc2ccccc21 ZINC000033376558 527658184 /nfs/dbraw/zinc/65/81/84/527658184.db2.gz YDLIXDZCGHDVMB-ICFOKQHNSA-N 0 0 364.444 6.315 10 30 FKEERN O=C(/C=C/c1ccccc1)c1c(OCc2ccccc2)ccc2ccccc21 ZINC000033376559 527633795 /nfs/dbraw/zinc/63/37/95/527633795.db2.gz YDLIXDZCGHDVMB-BMRADRMJSA-N 0 0 364.444 6.315 10 30 FKEERN O=C(/C=C\C1=C([NH+]2CCCCC2)Cc2ccccc21)c1ccc(Cl)cc1 ZINC000033376569 208089320 /nfs/dbraw/zinc/08/93/20/208089320.db2.gz AKQPMFXBYIHSPS-SEYXRHQNSA-N 0 0 363.888 5.532 10 30 FKEERN Cc1ccc(C(=O)/C=C\C2=C([NH+]3CCCCCC3)Cc3ccccc32)cc1 ZINC000033376572 208088008 /nfs/dbraw/zinc/08/80/08/208088008.db2.gz XAZPKFATMYNVAR-PFONDFGASA-N 0 0 357.497 5.577 10 30 FKEERN CCOc1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000033376644 520851418 /nfs/dbraw/zinc/85/14/18/520851418.db2.gz ZKWXMUJLQILKJT-VKAVYKQESA-N 0 0 358.437 5.560 10 30 FKEERN CC(C)c1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000033376648 211604138 /nfs/dbraw/zinc/60/41/38/211604138.db2.gz URSGHFFYMKAANT-VKAVYKQESA-N 0 0 356.465 6.285 10 30 FKEERN COc1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 ZINC000033376652 523436480 /nfs/dbraw/zinc/43/64/80/523436480.db2.gz VPKGSTRWJBWEDN-SQFISAMPSA-N 0 0 374.436 5.179 10 30 FKEERN COc1ccc(OC)c(/C=C\C(=O)c2ccccc2OCc2ccccc2)c1 ZINC000033376653 524803143 /nfs/dbraw/zinc/80/31/43/524803143.db2.gz CKXXTJICVZJTJO-OWBHPGMISA-N 0 0 374.436 5.179 10 30 FKEERN COc1ccc(/C=C\C(=O)c2ccccc2OCc2ccccc2)cc1OC ZINC000033376655 523435534 /nfs/dbraw/zinc/43/55/34/523435534.db2.gz MISYPOXVTAJJML-OWBHPGMISA-N 0 0 374.436 5.179 10 30 FKEERN CSc1nc(Cl)c(C=NNc2ccc(C(C)C)cc2)c(Cl)n1 ZINC000033381076 208090667 /nfs/dbraw/zinc/09/06/67/208090667.db2.gz NPBPYZLXHHBUMO-LSCVHKIXSA-N 0 0 355.294 5.075 10 30 FKEERN c1ccc(NN=C(N=Nc2nc3ccccc3s2)c2ccccc2)cc1 ZINC000033387419 526480189 /nfs/dbraw/zinc/48/01/89/526480189.db2.gz OPOMTHCDFJEKJO-WSESLVOBSA-N 0 0 357.442 5.854 10 30 FKEERN C/C(=N/OC(=O)c1cccc2ccccc21)c1ccc(Br)cc1 ZINC000033388170 518454802 /nfs/dbraw/zinc/45/48/02/518454802.db2.gz BFXQIHOXCHVIHV-BKUYFWCQSA-N 0 0 368.230 5.183 10 30 FKEERN CCN(CC)c1ccc(CN=Nc2nc(-c3cccs3)cs2)cc1 ZINC000033409517 520884575 /nfs/dbraw/zinc/88/45/75/520884575.db2.gz ZHPIBIMILNIRTE-UNOMPAQXSA-N 0 0 356.520 5.164 10 30 FKEERN CCOc1ccc(C(=O)/C=C\c2ccc(OCc3ccccc3)cc2)cc1 ZINC000033410915 520871134 /nfs/dbraw/zinc/87/11/34/520871134.db2.gz DZBMIWJIJRIBEG-YVLHZVERSA-N 0 0 358.437 5.560 10 30 FKEERN CCN(Cc1ccccc1)c1ccc(C=[NH+][N-]c2nc3ccccc3[nH]2)cc1 ZINC000033459675 521373136 /nfs/dbraw/zinc/37/31/36/521373136.db2.gz OJSZBYVUABWAJS-JLPGSUDCSA-N 0 0 369.472 5.035 10 30 FKEERN O=C1c2ccc(Cl)cc2S/C1=C1/Sc2cc(Cl)ccc2C1=O ZINC000033487807 203931028 /nfs/dbraw/zinc/93/10/28/203931028.db2.gz KOAKDLSQLKOGDY-FOCLMDBBSA-N 0 0 365.262 5.482 10 30 FKEERN N#Cc1c(N)c2c(cc1-c1ccccc1)c1ccc3ccccc3c1oc2=O ZINC000033495040 208095268 /nfs/dbraw/zinc/09/52/68/208095268.db2.gz GIFKBOJQMYXRHW-UHFFFAOYSA-N 0 0 362.388 5.220 10 30 FKEERN Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cccc(C)c2)C3=O)cc1 ZINC000033513937 208094325 /nfs/dbraw/zinc/09/43/25/208094325.db2.gz XTVBTDFVPWEMCR-QRVIBDJDSA-N 0 0 356.421 5.499 10 30 FKEERN Cc1cccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c1 ZINC000033513939 208093940 /nfs/dbraw/zinc/09/39/40/208093940.db2.gz RQHSSFNHUXQUDY-CFRMEGHHSA-N 0 0 370.448 5.807 10 30 FKEERN COc1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2C)C3=O)cc1 ZINC000033514128 220744204 /nfs/dbraw/zinc/74/42/04/220744204.db2.gz GBUBKXOAJCBVNV-QRVIBDJDSA-N 0 0 372.420 5.199 10 30 FKEERN O=C(/C=C\c1ccc(F)cc1)c1ccc(OC(=O)c2cccs2)cc1 ZINC000033592274 263395857 /nfs/dbraw/zinc/39/58/57/263395857.db2.gz HBIOYQKGDGYFBQ-XGICHPGQSA-N 0 0 352.386 5.003 10 30 FKEERN CCCCC1CCC(c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)CC1 ZINC000033610393 211609373 /nfs/dbraw/zinc/60/93/73/211609373.db2.gz QOUBQGAGYOVSAO-UHFFFAOYSA-N 0 0 361.485 6.241 10 30 FKEERN C/C(=N/NC(=S)Nc1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 ZINC000033662515 220745315 /nfs/dbraw/zinc/74/53/15/220745315.db2.gz SDJOZSSTILMRAC-ULJHMMPZSA-N 0 0 359.498 5.373 10 30 FKEERN COc1ccc(-c2ccc(/C=C\C(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000033696063 523126687 /nfs/dbraw/zinc/12/66/87/523126687.db2.gz XSFGGWFPFDWYSL-BENRWUELSA-N 0 0 354.858 5.973 10 30 FKEERN Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(F)cc2)c1CCC#N ZINC000033727338 208098679 /nfs/dbraw/zinc/09/86/79/208098679.db2.gz SIZZCULMACTAGE-UHFFFAOYSA-N 0 0 369.403 5.006 10 30 FKEERN COc1ccc(-c2ccc(/C=C\C(=O)c3ccc(Cl)s3)s2)cc1 ZINC000033743464 523126613 /nfs/dbraw/zinc/12/66/13/523126613.db2.gz JLUIBHPPWZIVCT-VURMDHGXSA-N 0 0 360.887 6.035 10 30 FKEERN O=C(/C=C\c1cccs1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000033744752 527658739 /nfs/dbraw/zinc/65/87/39/527658739.db2.gz UJQNUUGJQCTGFT-QXMHVHEDSA-N 0 0 368.841 5.517 10 30 FKEERN CCOc1ccc(/C=C2/CCC/C(=C/c3ccc(OCC)cc3)C2=O)cc1 ZINC000033769403 208099276 /nfs/dbraw/zinc/09/92/76/208099276.db2.gz KBKAXUOCBIAHQQ-ISPAOBMBSA-N 0 0 362.469 5.704 10 30 FKEERN O=C(/C=C\c1ccccc1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000033888391 220751654 /nfs/dbraw/zinc/75/16/54/220751654.db2.gz CGBQFYFQBUDGEE-MLPAPPSSSA-N 0 0 369.247 6.682 10 30 FKEERN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3ccccc3)cs2)cc1 ZINC000033905189 520885034 /nfs/dbraw/zinc/88/50/34/520885034.db2.gz ZOITXXRMRSOOIE-STZFKDTASA-N 0 0 350.491 5.102 10 30 FKEERN O=C(/C=C\c1ccccc1)c1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000033909633 208100228 /nfs/dbraw/zinc/10/02/28/208100228.db2.gz JEJZROYEQZOSRD-NXVVXOECSA-N 0 0 351.405 5.091 10 30 FKEERN CCc1c(C)sc(NC(=O)/C=C\c2c(Cl)cccc2Cl)c1C#N ZINC000033911292 211613802 /nfs/dbraw/zinc/61/38/02/211613802.db2.gz BASDOHGRWOVHBT-FPLPWBNLSA-N 0 0 365.285 5.449 10 30 FKEERN COc1ccc(-c2csc(N=NC(C)c3ccc4ccccc4c3)n2)cc1 ZINC000033918301 263397332 /nfs/dbraw/zinc/39/73/32/263397332.db2.gz WETNKDSFYUYLLG-IWIPYMOSSA-N 0 0 373.481 5.230 10 30 FKEERN COc1ccc(/C=C\C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl ZINC000034688853 523433508 /nfs/dbraw/zinc/43/35/08/523433508.db2.gz HTJYZYCWCWIQSQ-QPEQYQDCSA-N 0 0 354.877 6.292 10 30 FKEERN N#Cc1cc(-c2nc3cncnc3s2)ccc1Oc1ccc(Cl)cc1 ZINC000034873505 210246155 /nfs/dbraw/zinc/24/61/55/210246155.db2.gz CJRXSAYJRJLQBA-UHFFFAOYSA-N 0 0 364.817 5.071 10 30 FKEERN Cc1ccc(NC(=S)N/N=C\c2c3ccccc3cc3ccccc32)cc1 ZINC000034919437 204984403 /nfs/dbraw/zinc/98/44/03/204984403.db2.gz NGHNKBHVVWQOKW-IWIPYMOSSA-N 0 0 369.493 5.622 10 30 FKEERN CSc1cc(-c2ccccc2)c2sc(-c3ccccc3)nc2c1C#N ZINC000035067001 210245306 /nfs/dbraw/zinc/24/53/06/210245306.db2.gz VKUSQEYJRROGIT-UHFFFAOYSA-N 0 0 358.491 6.224 10 30 FKEERN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3ccccc3)c(C)s2)cc1 ZINC000035074048 520885099 /nfs/dbraw/zinc/88/50/99/520885099.db2.gz IWALHIPSLRPUPF-JCMHNJIXSA-N 0 0 364.518 5.411 10 30 FKEERN COc1cc(/C=C\C(=O)c2ccc(Cl)cc2Cl)ccc1OC(C)C ZINC000035678218 208134417 /nfs/dbraw/zinc/13/44/17/208134417.db2.gz OYNJHBVEVMLVIP-YWEYNIOJSA-N 0 0 365.256 5.685 10 30 FKEERN C=CCO/N=C(/C)c1cc(-c2ccccc2)n(-c2cccc(Cl)c2)c1C ZINC000035843371 518968325 /nfs/dbraw/zinc/96/83/25/518968325.db2.gz YFUQLJVZUAYBDM-JLPGSUDCSA-N 0 0 364.876 6.033 10 30 FKEERN C=CCO/N=C(/C)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)c1C ZINC000035843387 220794023 /nfs/dbraw/zinc/79/40/23/220794023.db2.gz NYPPJVDFYLCGCS-ULJHMMPZSA-N 0 0 360.457 5.388 10 30 FKEERN Clc1ccc2c(C[C@@H]3CO3)cn(C(c3ccccc3)c3ccccc3)c2c1 ZINC000035996592 210245597 /nfs/dbraw/zinc/24/55/97/210245597.db2.gz QFMANJKVKCPBQA-OAQYLSRUSA-N 0 0 373.883 5.874 10 30 FKEERN Cc1cc(C)cc(Oc2cc(C)nc(SCc3ccccc3C#N)n2)c1 ZINC000037510284 220837335 /nfs/dbraw/zinc/83/73/35/220837335.db2.gz MLKIKVDDPPPBQT-UHFFFAOYSA-N 0 0 361.470 5.358 10 30 FKEERN CCc1cc(Oc2ccc(F)cc2)nc(SCc2cccc(C#N)c2)n1 ZINC000037510934 571286591 /nfs/dbraw/zinc/28/65/91/571286591.db2.gz HFKAPIOTZKVAMI-UHFFFAOYSA-N 0 0 365.433 5.134 10 30 FKEERN N#C[C@H](Nc1ccc(Br)cc1)c1cccc(Cl)c1Cl ZINC000037936197 211315152 /nfs/dbraw/zinc/31/51/52/211315152.db2.gz HVSGWKDRWWNFOT-ZDUSSCGKSA-N 0 0 356.050 5.433 10 30 FKEERN N#C[C@@H](Nc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000037936274 211314794 /nfs/dbraw/zinc/31/47/94/211314794.db2.gz COCHTKVRCVQPDG-CQSZACIVSA-N 0 0 356.050 5.433 10 30 FKEERN N#C[C@H](Nc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 ZINC000037936412 211314934 /nfs/dbraw/zinc/31/49/34/211314934.db2.gz FBXIHJPBNQFZKL-AWEZNQCLSA-N 0 0 356.050 5.433 10 30 FKEERN N#C[C@@H](Nc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 ZINC000037936413 207773175 /nfs/dbraw/zinc/77/31/75/207773175.db2.gz FBXIHJPBNQFZKL-CQSZACIVSA-N 0 0 356.050 5.433 10 30 FKEERN N#C[C@@H](Nc1cccc(Br)c1)c1cc(Cl)cc(Cl)c1 ZINC000037937637 211314987 /nfs/dbraw/zinc/31/49/87/211314987.db2.gz MSTREBBBECVVTN-CQSZACIVSA-N 0 0 356.050 5.433 10 30 FKEERN N#C[C@H](Nc1ccccc1Br)c1ccc(Cl)c(Cl)c1 ZINC000037938444 211314326 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520857627 /nfs/dbraw/zinc/85/76/27/520857627.db2.gz PLCKCDOGAGZTOW-BKUYFWCQSA-N 0 0 367.474 5.054 10 30 FKEERN Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O ZINC000038320915 536300584 /nfs/dbraw/zinc/30/05/84/536300584.db2.gz ATWVFIIUZNVMLK-UUYOSTAYSA-N 0 0 360.384 5.329 10 30 FKEERN COc1ccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)cc1 ZINC000038320922 208201202 /nfs/dbraw/zinc/20/12/02/208201202.db2.gz PVSRUDKNRONYAO-QRVIBDJDSA-N 0 0 372.420 5.199 10 30 FKEERN COc1cccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)c1 ZINC000038320924 205039625 /nfs/dbraw/zinc/03/96/25/205039625.db2.gz FWCIPYBEROVSCL-QRVIBDJDSA-N 0 0 372.420 5.199 10 30 FKEERN Cc1ccc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)cc1 ZINC000038320927 211699701 /nfs/dbraw/zinc/69/97/01/211699701.db2.gz DBOQLNMFTVFCNK-QRVIBDJDSA-N 0 0 356.421 5.499 10 30 FKEERN Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 ZINC000038320932 208200687 /nfs/dbraw/zinc/20/06/87/208200687.db2.gz DGSGEUDNLBWUEC-UUYOSTAYSA-N 0 0 360.384 5.329 10 30 FKEERN COc1ccccc1/C=C1\Oc2cc(OCc3ccc(C)cc3)ccc2C1=O ZINC000038320933 208201161 /nfs/dbraw/zinc/20/11/61/208201161.db2.gz HGBMKBABZOJXRP-QRVIBDJDSA-N 0 0 372.420 5.199 10 30 FKEERN Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)c1 ZINC000038320941 208201867 /nfs/dbraw/zinc/20/18/67/208201867.db2.gz TUSHVPSIVZOCCO-FMCGGJTJSA-N 0 0 374.411 5.638 10 30 FKEERN Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)c1 ZINC000038320945 205039864 /nfs/dbraw/zinc/03/98/64/205039864.db2.gz MTQVRTXYQQGLBR-FMCGGJTJSA-N 0 0 374.411 5.638 10 30 FKEERN Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2ccccc2)C3=O)c1 ZINC000038320953 205039746 /nfs/dbraw/zinc/03/97/46/205039746.db2.gz BHTGZNJRHVSQSO-QRVIBDJDSA-N 0 0 356.421 5.499 10 30 FKEERN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(F)cc2)C3=O)cc1 ZINC000038321044 208202327 /nfs/dbraw/zinc/20/23/27/208202327.db2.gz IAIZBCOQOTYYSD-QRVIBDJDSA-N 0 0 372.395 5.664 10 30 FKEERN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccccc2F)C3=O)cc1 ZINC000038321048 208202308 /nfs/dbraw/zinc/20/23/08/208202308.db2.gz 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220865545 /nfs/dbraw/zinc/86/55/45/220865545.db2.gz TWRVNJIKCPXPOL-OYKKKHCWSA-N 0 0 370.448 6.005 10 30 FKEERN CCOc1ccc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)cc1 ZINC000039753955 211709733 /nfs/dbraw/zinc/70/97/33/211709733.db2.gz VABMPHJMJOREON-UCQKPKSFSA-N 0 0 372.420 5.281 10 30 FKEERN CCOc1ccccc1/C=C1\Oc2cc(OCc3ccccc3)ccc2C1=O ZINC000039753958 208214734 /nfs/dbraw/zinc/21/47/34/208214734.db2.gz JFYFRKQOGZTQRP-UCQKPKSFSA-N 0 0 372.420 5.281 10 30 FKEERN Cc1ccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)cc1 ZINC000039753960 208213877 /nfs/dbraw/zinc/21/38/77/208213877.db2.gz WJWLSLLIDWYKRZ-QRVIBDJDSA-N 0 0 356.421 5.499 10 30 FKEERN Cc1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)cc1 ZINC000039753972 205047981 /nfs/dbraw/zinc/04/79/81/205047981.db2.gz LSGLJWFAPNNEFO-CFRMEGHHSA-N 0 0 370.448 5.807 10 30 FKEERN O=C1c2ccc(OCc3ccccc3Cl)cc2O/C1=C\c1ccccc1 ZINC000039753998 205047428 /nfs/dbraw/zinc/04/74/28/205047428.db2.gz JLAZVCZLSCUENN-MTJSOVHGSA-N 0 0 362.812 5.535 10 30 FKEERN O=C1c2ccc(OCc3cccc(Cl)c3)cc2O/C1=C\c1ccccc1 ZINC000039754024 208213673 /nfs/dbraw/zinc/21/36/73/208213673.db2.gz JBJIKKODBQUAPF-MTJSOVHGSA-N 0 0 362.812 5.535 10 30 FKEERN O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1ccccc1F ZINC000039754172 208212996 /nfs/dbraw/zinc/21/29/96/208212996.db2.gz BIKDDQDYWQHHQB-NHDPSOOVSA-N 0 0 364.347 5.160 10 30 FKEERN COc1cccc(COc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)c1 ZINC000039754529 208214258 /nfs/dbraw/zinc/21/42/58/208214258.db2.gz QSVOURRHDGJOIT-QRVIBDJDSA-N 0 0 372.420 5.199 10 30 FKEERN C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 ZINC000039754538 208213288 /nfs/dbraw/zinc/21/32/88/208213288.db2.gz FNBCHBFFNZAPCN-OYKKKHCWSA-N 0 0 368.432 5.833 10 30 FKEERN COc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(C)cc2)C3=O)cc1 ZINC000039754569 211710361 /nfs/dbraw/zinc/71/03/61/211710361.db2.gz TYNBFAWOXXFSFM-QRVIBDJDSA-N 0 0 372.420 5.199 10 30 FKEERN Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1ccccc1C#N ZINC000039794243 205047907 /nfs/dbraw/zinc/04/79/07/205047907.db2.gz 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/nfs/dbraw/zinc/04/49/87/210044987.db2.gz FEFZOHODARSEQV-UHFFFAOYSA-N 0 0 362.473 5.120 10 30 FKEERN C=C(Br)Cn1c(COc2ccc(CC)cc2)nc2ccccc21 ZINC000040234971 210044960 /nfs/dbraw/zinc/04/49/60/210044960.db2.gz BHUWXHNTYHUHMI-UHFFFAOYSA-N 0 0 371.278 5.086 10 30 FKEERN C=CCc1ccccc1OCCCn1c2ccccc2nc1-c1ccccc1 ZINC000040239372 206659647 /nfs/dbraw/zinc/65/96/47/206659647.db2.gz KNOFYVHCBLNVFP-UHFFFAOYSA-N 0 0 368.480 5.901 10 30 FKEERN C=CCc1ccccc1OCCn1c2ccccc2nc1-c1ccccc1C ZINC000040239489 220897070 /nfs/dbraw/zinc/89/70/70/220897070.db2.gz CAADTRNQBXUOLZ-UHFFFAOYSA-N 0 0 368.480 5.819 10 30 FKEERN C=C(C)n1c2cc(C)c(C)cc2n(Cc2ccc(Cl)cc2Cl)c1=O ZINC000040311260 206660100 /nfs/dbraw/zinc/66/01/00/206660100.db2.gz FIQXSOFEQJCDIO-UHFFFAOYSA-N 0 0 361.272 5.266 10 30 FKEERN C=C(C)n1c2cc(C)c(C)cc2n(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000040311262 210044202 /nfs/dbraw/zinc/04/42/02/210044202.db2.gz HUNAXHUVFCVLCG-UHFFFAOYSA-N 0 0 361.272 5.266 10 30 FKEERN C=C(C)n1c2cc(C)c(C)cc2n(CCOc2ccccc2C(C)C)c1=O 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Cc1sc(N=NCc2c[nH]c3ccccc23)nc1-c1ccc(F)cc1 ZINC000040570777 205073742 /nfs/dbraw/zinc/07/37/42/205073742.db2.gz QRXMUCASPZDOIG-SSDVNMTOSA-N 0 0 350.422 5.185 10 30 FKEERN CCOc1ccc(/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000040570817 211747841 /nfs/dbraw/zinc/74/78/41/211747841.db2.gz AAUNGGRPAHUYFE-PCLIKHOPSA-N 0 0 354.453 5.839 10 30 FKEERN O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1c[nH]c2ccccc12 ZINC000040570830 205073616 /nfs/dbraw/zinc/07/36/16/205073616.db2.gz ORVLEABTBFUVTL-AFUMVMLFSA-N 0 0 358.828 5.803 10 30 FKEERN Cc1c(C(=O)Nc2ccccc2C)oc2c1C(=NNc1ccccc1)CCC2 ZINC000040824207 208270422 /nfs/dbraw/zinc/27/04/22/208270422.db2.gz ITPGRFZLKWZTHM-LGUFXXKBSA-N 0 0 373.456 5.301 10 30 FKEERN Cc1c(C(=O)Nc2cccc(C)c2)oc2c1C(=NNc1ccccc1)CCC2 ZINC000040824211 208269856 /nfs/dbraw/zinc/26/98/56/208269856.db2.gz CZUMVFFHGAIAEN-LGUFXXKBSA-N 0 0 373.456 5.301 10 30 FKEERN CC(C)(C)c1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000040995628 208279065 /nfs/dbraw/zinc/27/90/65/208279065.db2.gz SARQTXSBXQOOIC-UHFFFAOYSA-N 0 0 366.530 5.367 10 30 FKEERN CC(C)c1ccc(CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000040995979 208278823 /nfs/dbraw/zinc/27/88/23/208278823.db2.gz ONUYRWLYMYWODB-UHFFFAOYSA-N 0 0 352.503 5.193 10 30 FKEERN Fc1ccccc1-c1ccc(CN=Nc2nc3ccccc3nc2Cl)o1 ZINC000041107546 526406083 /nfs/dbraw/zinc/40/60/83/526406083.db2.gz QKXQZLXDRIEZDU-SSDVNMTOSA-N 0 0 366.783 5.128 10 30 FKEERN CCCCOc1ccc(C=NNc2cc(C)nc3ccccc32)cc1OC ZINC000041127753 520854237 /nfs/dbraw/zinc/85/42/37/520854237.db2.gz MYLLQAIDJZGISO-HZHRSRAPSA-N 0 0 363.461 5.177 10 30 FKEERN Cc1cc(NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c2ccccc2n1 ZINC000041127767 525043333 /nfs/dbraw/zinc/04/33/33/525043333.db2.gz WLEOLTGMIWFRPA-LPYMAVHISA-N 0 0 372.384 5.157 10 30 FKEERN C/C=C(\C)C(=O)O[C@H](C)C[C@H]1CCCN1C(=O)CCCCCCCCC ZINC000042876619 208297717 /nfs/dbraw/zinc/29/77/17/208297717.db2.gz TXTAPNOLOCQVRJ-KNRRALAQSA-N 0 0 365.558 5.406 10 30 FKEERN C/C=C(\C)C(=O)O[C@@H](C)C[C@@H]1CCCN1C(=O)CCCCCCCCC ZINC000042876632 208297525 /nfs/dbraw/zinc/29/75/25/208297525.db2.gz TXTAPNOLOCQVRJ-IORBJAGFSA-N 0 0 365.558 5.406 10 30 FKEERN CCCCCCC[C@@](C)(CCCCC)OC(=O)c1cnc(Cl)cn1 ZINC000043352421 205102795 /nfs/dbraw/zinc/10/27/95/205102795.db2.gz NMOHGELNHONNKK-LJQANCHMSA-N 0 0 354.922 5.986 10 30 FKEERN CCCCCCC[C@](C)(CCCCC)OC(=O)c1cnc(Cl)cn1 ZINC000043352423 208304586 /nfs/dbraw/zinc/30/45/86/208304586.db2.gz NMOHGELNHONNKK-IBGZPJMESA-N 0 0 354.922 5.986 10 30 FKEERN CCCCCCCOc1ccc(CNc2ccc(C(=O)OCC)cc2)cc1 ZINC000043598429 208307087 /nfs/dbraw/zinc/30/70/87/208307087.db2.gz XSWRXFKFYQGOEP-UHFFFAOYSA-N 0 0 369.505 5.825 10 30 FKEERN CCCCCCCCCCCCCC(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000043617230 519988823 /nfs/dbraw/zinc/98/88/23/519988823.db2.gz YLAZEWZHIRBZDA-NZQKXSOJSA-N 0 0 361.570 5.926 10 30 FKEERN CCCCCCCCCCCCCCNc1ccc(C(=O)OCC)cc1 ZINC000043705904 208307309 /nfs/dbraw/zinc/30/73/09/208307309.db2.gz DGGGBDLOUZPPQJ-UHFFFAOYSA-N 0 0 361.570 6.976 10 30 FKEERN CCCCCCCCCCCCCCCC(=O)C(F)(F)C(F)(F)F ZINC000044386890 220955968 /nfs/dbraw/zinc/95/59/68/220955968.db2.gz VAEAKUNUEJEQSG-UHFFFAOYSA-N 0 0 358.435 7.234 10 30 FKEERN CCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(OC)cc1 ZINC000047163601 205143528 /nfs/dbraw/zinc/14/35/28/205143528.db2.gz YWRDEICQXKKXCO-UHFFFAOYSA-N 0 0 370.456 5.372 10 30 FKEERN CC(C)(C)c1cc(C=NNc2nc3ccccc3[nH]2)cc(C(C)(C)C)c1O ZINC000050538783 205179687 /nfs/dbraw/zinc/17/96/87/205179687.db2.gz ZKIOLZULAHLFJY-QRVIBDJDSA-N 0 0 364.493 5.310 10 30 FKEERN CCCCCCCCCn1c(COc2ccc(C)cc2)nc2ccccc21 ZINC000050861340 221033820 /nfs/dbraw/zinc/03/38/20/221033820.db2.gz HVMNILNYMMHFEI-UHFFFAOYSA-N 0 0 364.533 6.674 10 30 FKEERN CCCCCCCCn1c(COc2ccc(C)cc2)nc2ccccc21 ZINC000050861342 205179857 /nfs/dbraw/zinc/17/98/57/205179857.db2.gz MSVADYSHDUVRCF-UHFFFAOYSA-N 0 0 350.506 6.284 10 30 FKEERN CCCCCCCCn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000050861348 221033343 /nfs/dbraw/zinc/03/33/43/221033343.db2.gz HVOIYQFWHGRPQW-UHFFFAOYSA-N 0 0 370.924 6.629 10 30 FKEERN CCCCCCCn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000050861350 205179950 /nfs/dbraw/zinc/17/99/50/205179950.db2.gz JAAXNNJNRIENPY-UHFFFAOYSA-N 0 0 356.897 6.239 10 30 FKEERN CCCCCCCCCCCCn1c2ccccc2nc1-c1ccccc1 ZINC000050861430 221033416 /nfs/dbraw/zinc/03/34/16/221033416.db2.gz TUYUDXFOYHYVOU-UHFFFAOYSA-N 0 0 362.561 7.624 10 30 FKEERN N=C(Nc1sc(-c2ccccc2)nc1-c1cccs1)c1ccccc1 ZINC000053994122 205196829 /nfs/dbraw/zinc/19/68/29/205196829.db2.gz NEVWMYUWCWXBJH-UHFFFAOYSA-N 0 0 361.495 5.576 10 30 FKEERN N=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1cccs1 ZINC000053994146 205196026 /nfs/dbraw/zinc/19/60/26/205196026.db2.gz LZYVBQHBZWXJIU-UHFFFAOYSA-N 0 0 361.495 5.576 10 30 FKEERN N=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1 ZINC000053994148 205195947 /nfs/dbraw/zinc/19/59/47/205195947.db2.gz JTNJZTLUYUCPSP-UHFFFAOYSA-N 0 0 373.456 5.653 10 30 FKEERN Cc1ccc(-c2nc(-c3ccccc3)sc2NC(=N)c2ccccc2)cc1 ZINC000053994168 221049326 /nfs/dbraw/zinc/04/93/26/221049326.db2.gz GOKTZMDICATBAL-UHFFFAOYSA-N 0 0 369.493 5.823 10 30 FKEERN C=C1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@](C)(OC(C)=O)[C@@]3(C)CC[C@@H]12 ZINC000058666183 205277781 /nfs/dbraw/zinc/27/77/81/205277781.db2.gz FBVIOYXUKJUFCN-JZTHCNPZSA-N 0 0 356.506 5.006 10 30 FKEERN CCCCCCCCOc1ccc(-c2ncc(OCCCC)cn2)cc1 ZINC000059066200 212015276 /nfs/dbraw/zinc/01/52/76/212015276.db2.gz BRBDNNGCDBEPFS-UHFFFAOYSA-N 0 0 356.510 6.062 10 30 FKEERN CC(=NNc1ccnc2cc(Cl)ccc21)c1cccc(C(F)(F)F)c1 ZINC000059347553 221124926 /nfs/dbraw/zinc/12/49/26/221124926.db2.gz VJBATVBQGPKNGV-MYKKPKGFSA-N 0 0 363.770 5.743 10 30 FKEERN CC(=NNc1ccnc2cc(Cl)ccc21)c1ccccc1OC(F)F ZINC000059347574 221125263 /nfs/dbraw/zinc/12/52/63/221125263.db2.gz BZRXDWARMLTJJP-KSEXSDGBSA-N 0 0 361.779 5.326 10 30 FKEERN CCCCCCCCCCC[C@H](O)C[C@H]1OC(=O)[C@@H]1CCCCCC ZINC000059767560 520018509 /nfs/dbraw/zinc/01/85/09/520018509.db2.gz RSOUWOFYULUWNE-PWRODBHTSA-N 0 0 354.575 6.170 10 30 FKEERN CCCCCCCCCNc1oc(-c2ccccc2[N+](=O)[O-])nc1C#N ZINC000059825487 221128165 /nfs/dbraw/zinc/12/81/65/221128165.db2.gz XUQSZCWOPCOPIC-UHFFFAOYSA-N 0 0 356.426 5.284 10 30 FKEERN CCCCCCCCCCCCC(=O)CCCCCCCCCCCC ZINC000062238152 221138855 /nfs/dbraw/zinc/13/88/55/221138855.db2.gz VTPOKROHHTWTML-UHFFFAOYSA-N 0 0 366.674 9.178 10 30 FKEERN Cc1ccc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000064471427 221147128 /nfs/dbraw/zinc/14/71/28/221147128.db2.gz QUFHXSKUJHIELN-UHFFFAOYSA-N 0 0 365.436 5.738 10 30 FKEERN CCCCc1nc(Cl)c2n1Cc1ccc(-c3ccccc3C#N)cc1C2 ZINC000065735083 205361076 /nfs/dbraw/zinc/36/10/76/205361076.db2.gz ISDSVKOJLFVXEY-UHFFFAOYSA-N 0 0 361.876 5.370 10 30 in-vitro FKEERN CCCC[C@](C)(O)C/C=C/C1=C(CCCCCCC(=O)OC)C(=O)CC1 ZINC000065739734 521252814 /nfs/dbraw/zinc/25/28/14/521252814.db2.gz HHBZJXGYROTGEG-NEQMZLFVSA-N 0 0 364.526 5.047 10 30 in-vitro FKEERN CCCC[C@@](C)(O)C/C=C/C1=C(CCCCCCC(=O)OC)C(=O)CC1 ZINC000065739736 521120127 /nfs/dbraw/zinc/12/01/27/521120127.db2.gz HHBZJXGYROTGEG-NELJVSICSA-N 0 0 364.526 5.047 10 30 in-vitro FKEERN C=CCCCCCCCCC[P@](=O)(OCC)OCc1ccccc1 ZINC000065749002 518700128 /nfs/dbraw/zinc/70/01/28/518700128.db2.gz WGIUBJHRZWZCPZ-DEOSSOPVSA-N 0 0 352.455 6.740 10 30 in-vitro FKEERN C=CCCCCCCCCC[P@@](=O)(OCC)OCc1ccccc1 ZINC000065749004 518699498 /nfs/dbraw/zinc/69/94/98/518699498.db2.gz WGIUBJHRZWZCPZ-XMMPIXPASA-N 0 0 352.455 6.740 10 30 in-vitro FKEERN CCCCCCCC/C=C\CCCCCc1cc(=O)c2ccccc2n1C ZINC000067912000 519970496 /nfs/dbraw/zinc/97/04/96/519970496.db2.gz IQBLVLZFKVROKG-KHPPLWFESA-N 0 0 367.577 6.948 10 30 biogenic,in-vitro FKEERN Brc1ccccc1NN=C(Cc1ccccc1)c1ccccc1 ZINC000071134373 221336163 /nfs/dbraw/zinc/33/61/63/221336163.db2.gz XTDOLOGMVIUXTA-ATJXCDBQSA-N 0 0 365.274 5.508 10 30 FKEERN CCn1c2ccccc2c2cc(/C=N\N3c4ccccc4C[C@@H]3C)ccc21 ZINC000072099252 208798603 /nfs/dbraw/zinc/79/86/03/208798603.db2.gz TWPXERWDHZWUPC-WZGIJCTISA-N 0 0 353.469 5.600 10 30 FKEERN N#Cc1ccc([C@@]2(CC3CCCCC3)c3ccccc3-c3nccn32)cc1 ZINC000072109202 208798833 /nfs/dbraw/zinc/79/88/33/208798833.db2.gz BQCJQWPPYIXPJN-DEOSSOPVSA-N 0 0 353.469 5.497 10 30 FKEERN CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCC ZINC000072399568 208844969 /nfs/dbraw/zinc/84/49/69/208844969.db2.gz OQNWHOCKDMLTSP-LEWJYISDSA-N 0 0 371.606 5.106 10 30 in-vitro FKEERN CCCCCCCCCCC[C@H]1C[C@H](O)[C@H](CCCCCC)C(=O)O1 ZINC000072399921 571191182 /nfs/dbraw/zinc/19/11/82/571191182.db2.gz LRXRIVSWHMVULO-ACRUOGEOSA-N 0 0 354.575 6.170 10 30 in-vitro FKEERN C=CCOC(=O)c1ccc2nc(-c3ccc(Br)cc3)sc2c1 ZINC000073635134 221565022 /nfs/dbraw/zinc/56/50/22/221565022.db2.gz XURJANCDBHPJCV-UHFFFAOYSA-N 0 0 374.259 5.069 10 30 FKEERN C=CCOC(=O)c1ccc2nc(-c3cccc(Br)c3)sc2c1 ZINC000073635147 571109093 /nfs/dbraw/zinc/10/90/93/571109093.db2.gz LOWJOOYCPCQDNX-UHFFFAOYSA-N 0 0 374.259 5.069 10 30 FKEERN C=CCOC(=O)c1ccc2nc(-c3ccccc3Br)sc2c1 ZINC000073635150 571108934 /nfs/dbraw/zinc/10/89/34/571108934.db2.gz HHHMWAQQJVUJDJ-UHFFFAOYSA-N 0 0 374.259 5.069 10 30 FKEERN C=CCOC(=O)c1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1 ZINC000073635319 571109012 /nfs/dbraw/zinc/10/90/12/571109012.db2.gz OLYGAYPXCPUDFD-UHFFFAOYSA-N 0 0 364.253 5.613 10 30 FKEERN C#CCOC(=O)c1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1 ZINC000073635322 571108982 /nfs/dbraw/zinc/10/89/82/571108982.db2.gz LRQVSNKQCGFDCV-UHFFFAOYSA-N 0 0 362.237 5.060 10 30 FKEERN C#CCOC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000073635325 208187546 /nfs/dbraw/zinc/18/75/46/208187546.db2.gz RAGTXSHFYIPVND-UHFFFAOYSA-N 0 0 362.237 5.060 10 30 FKEERN C=CCOC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000073635327 205032521 /nfs/dbraw/zinc/03/25/21/205032521.db2.gz LFQUPOHEZYAZDG-UHFFFAOYSA-N 0 0 364.253 5.613 10 30 FKEERN C=CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1 ZINC000073635345 208188469 /nfs/dbraw/zinc/18/84/69/208188469.db2.gz SMSNQNCKILLMPJ-UHFFFAOYSA-N 0 0 364.253 5.613 10 30 FKEERN C#CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1 ZINC000073635348 221565129 /nfs/dbraw/zinc/56/51/29/221565129.db2.gz YEWVPLWHVCJHMG-UHFFFAOYSA-N 0 0 362.237 5.060 10 30 FKEERN C=CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000073638324 208187955 /nfs/dbraw/zinc/18/79/55/208187955.db2.gz ZEGSBRNESNAROR-VMPITWQZSA-N 0 0 367.626 5.105 10 30 FKEERN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000077292832 571206423 /nfs/dbraw/zinc/20/64/23/571206423.db2.gz PMIMJUQRBDTHBT-NGWDOLKVSA-N 0 0 372.549 5.332 10 30 in-vitro FKEERN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H]1CO1 ZINC000077293188 571321005 /nfs/dbraw/zinc/32/10/05/571321005.db2.gz INTHOQCNXQLKIE-GABUGCEHSA-N 0 0 358.522 5.850 10 30 in-vitro FKEERN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H]1CO1 ZINC000077293192 571320999 /nfs/dbraw/zinc/32/09/99/571320999.db2.gz INTHOQCNXQLKIE-MWRKSYAASA-N 0 0 358.522 5.850 10 30 in-vitro FKEERN CCCCCCCCCCC[C@@H](O)C[C@H]1OC(=O)[C@H]1CCCCCC ZINC000077293327 520017810 /nfs/dbraw/zinc/01/78/10/520017810.db2.gz RSOUWOFYULUWNE-QHAWAJNXSA-N 0 0 354.575 6.170 10 30 in-vitro FKEERN CCCCCCCCCCC[C@H](O)C[C@H]1OC(=O)[C@H]1CCCCCC ZINC000077293334 520017200 /nfs/dbraw/zinc/01/72/00/520017200.db2.gz RSOUWOFYULUWNE-PCCBWWKXSA-N 0 0 354.575 6.170 10 30 in-vitro FKEERN CCC(C)N=Nc1nc2cc(NC(=O)c3ccccc3C)ccc2s1 ZINC000078397607 520183007 /nfs/dbraw/zinc/18/30/07/520183007.db2.gz YKEINRRTQOTORO-LPYMAVHISA-N 0 0 352.463 5.055 10 30 FKEERN CCC(C)N=Nc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 ZINC000078397610 221658579 /nfs/dbraw/zinc/65/85/79/221658579.db2.gz PXULSDVGBJTQFX-LPYMAVHISA-N 0 0 352.463 5.055 10 30 FKEERN CCC(C)N=Nc1nc2cc(NC(=O)c3ccccc3Cl)ccc2s1 ZINC000078397622 520182369 /nfs/dbraw/zinc/18/23/69/520182369.db2.gz KRGZZUQUNJTAKY-SSDVNMTOSA-N 0 0 372.881 5.400 10 30 FKEERN CCC(C)N=Nc1nc2cc(NC(=O)c3cccc(Cl)c3)ccc2s1 ZINC000078397623 571215711 /nfs/dbraw/zinc/21/57/11/571215711.db2.gz VXNBBORYKIOTDZ-SSDVNMTOSA-N 0 0 372.881 5.400 10 30 FKEERN CCC(C)N=Nc1nc2c(cc(Br)cc2C(F)(F)F)s1 ZINC000078397635 571215941 /nfs/dbraw/zinc/21/59/41/571215941.db2.gz ZIFPQDMXHNVKGM-NGYBGAFCSA-N 0 0 366.206 5.275 10 30 FKEERN CCC(C)N=Nc1nc2cc(C(F)(F)F)c(Br)cc2s1 ZINC000078397639 571216041 /nfs/dbraw/zinc/21/60/41/571216041.db2.gz OJLFVCJQQSITRP-NGYBGAFCSA-N 0 0 366.206 5.275 10 30 FKEERN CCC(C)N=Nc1nc2c(cc(Cl)cc2[C@H](O)c2ccccc2)s1 ZINC000078397644 571215966 /nfs/dbraw/zinc/21/59/66/571215966.db2.gz ABMOZDBPJVQFTO-LASGFXPTSA-N 0 0 359.882 5.229 10 30 FKEERN CCC(C)N=Nc1nc2c(cc(Cl)cc2[C@@H](O)c2ccccc2)s1 ZINC000078397645 571216013 /nfs/dbraw/zinc/21/60/13/571216013.db2.gz ABMOZDBPJVQFTO-RYFGYPJOSA-N 0 0 359.882 5.229 10 30 FKEERN CCC(C)N=Nc1nc2cc3nc(N=NC(C)CC)sc3cc2s1 ZINC000078397648 571216023 /nfs/dbraw/zinc/21/60/23/571216023.db2.gz OIIOSDAIGFCHAI-LQGKIZFRSA-N 0 0 360.512 5.302 10 30 FKEERN CCC(C)N=Nc1nc2c(cc(C)c3nc(N=NC(C)CC)sc23)s1 ZINC000078397649 571216031 /nfs/dbraw/zinc/21/60/31/571216031.db2.gz RFWLWVRHWRVULA-CLVAPQHMSA-N 0 0 374.539 5.610 10 30 FKEERN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccccc3)c(C)c2s1 ZINC000078397692 208924313 /nfs/dbraw/zinc/92/43/13/208924313.db2.gz OIVZGISTLFSJHT-YDZHTSKRSA-N 0 0 366.490 5.363 10 30 FKEERN CCC(=O)Nc1cc(Cl)c2nc(N=NC(C)CC)sc2c1Cl ZINC000078400684 221658992 /nfs/dbraw/zinc/65/89/92/221658992.db2.gz ZCKOQAIXYLMTKH-FBCYGCLPSA-N 0 0 359.282 5.149 10 30 FKEERN CCC(C)N=Nc1nc2c(s1)c(Cl)c(NC(=O)C(C)C)cc2Cl ZINC000078400685 571215794 /nfs/dbraw/zinc/21/57/94/571215794.db2.gz LKLLZBUDYISZFU-DNTJNYDQSA-N 0 0 373.309 5.395 10 30 FKEERN CCCC(=O)Nc1cc(Cl)c2nc(N=NC(C)CC)sc2c1Cl ZINC000078400687 571215754 /nfs/dbraw/zinc/21/57/54/571215754.db2.gz IZMGRVDQBWYBLF-DNTJNYDQSA-N 0 0 373.309 5.540 10 30 FKEERN CCCCCCCCCCCCCCCCCC(=O)OCCCCC ZINC000081135756 210225520 /nfs/dbraw/zinc/22/55/20/210225520.db2.gz MOQRZWSWPNIGMP-UHFFFAOYSA-N 0 0 354.619 7.981 10 30 FKEERN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000081147434 571322323 /nfs/dbraw/zinc/32/23/23/571322323.db2.gz NELMHAIFXJZDST-XCUVIRGDSA-N 0 0 370.533 5.396 10 30 FKEERN Cc1cc2nc(/C=C\c3ccccc3)n(Cc3ccc(C#N)cc3)c2cc1C ZINC000083295511 203925112 /nfs/dbraw/zinc/92/51/12/203925112.db2.gz WMVNXBYDCVQCJN-SEYXRHQNSA-N 0 0 363.464 5.744 10 30 FKEERN CCCCCCCCCCCCCC(=O)Oc1cn(C)c2ccccc12 ZINC000085482688 519988378 /nfs/dbraw/zinc/98/83/78/519988378.db2.gz OOKWHTKWDDXSKE-UHFFFAOYSA-N 0 0 357.538 6.785 10 30 FKEERN CCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000086040206 560066043 /nfs/dbraw/zinc/06/60/43/560066043.db2.gz IACKKVBKKNJZGN-UHFFFAOYSA-N 0 0 368.690 8.971 10 30 biogenic,in-vitro FKEERN CCCCCCCCCCCCCCCCCCCCCCC(C)C ZINC000086052261 571794901 /nfs/dbraw/zinc/79/49/01/571794901.db2.gz YNQOGIZOCQEUJR-UHFFFAOYSA-N 0 0 352.691 9.854 10 30 endogenous,in-man FKEERN CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)OC[C@@H]1CO1 ZINC000090427578 519916448 /nfs/dbraw/zinc/91/64/48/519916448.db2.gz ACYNJBAUKQMZDF-HPNFDRLTSA-N 0 0 360.538 6.074 10 30 FKEERN Cc1cc(C#N)cc2c1N[C@H](c1cccc(Br)c1)CC2(C)C ZINC000091691858 221784851 /nfs/dbraw/zinc/78/48/51/221784851.db2.gz IFBASUXCDXCIGJ-KRWDZBQOSA-N 0 0 355.279 5.464 10 30 FKEERN Cc1cc(C#N)cc2c1N[C@@H](c1cccc(Br)c1)CC2(C)C ZINC000091691859 221785513 /nfs/dbraw/zinc/78/55/13/221785513.db2.gz IFBASUXCDXCIGJ-QGZVFWFLSA-N 0 0 355.279 5.464 10 30 FKEERN O=C(/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2o1)c1cccnc1 ZINC000095115651 571328690 /nfs/dbraw/zinc/32/86/90/571328690.db2.gz AZKPRTLHOCNALA-SFQUDFHCSA-N 0 0 360.800 5.300 10 30 FKEERN O=C(/C=C/c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000095930673 209087262 /nfs/dbraw/zinc/08/72/62/209087262.db2.gz MHKCZKBRZFDDII-OVCLIPMQSA-N 0 0 363.254 6.012 10 30 FKEERN O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ccc(Oc3ccccc3)cc2)c1 ZINC000095935783 209086338 /nfs/dbraw/zinc/08/63/38/209086338.db2.gz JZOKWIUODHJRCL-BKUYFWCQSA-N 0 0 352.777 5.791 10 30 FKEERN O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ccc(Nc3ccccc3)cc2)c1 ZINC000095935784 221973561 /nfs/dbraw/zinc/97/35/61/221973561.db2.gz LVCXPMTZHYJAGW-BKUYFWCQSA-N 0 0 351.793 5.742 10 30 FKEERN O=C1c2ccccc2C(=Nc2ccccc2)C=C1NCc1ccc(Cl)cc1 ZINC000096336724 209151562 /nfs/dbraw/zinc/15/15/62/209151562.db2.gz ZWWVIGRIHJLZKU-YYADALCUSA-N 0 0 372.855 5.331 10 30 FKEERN N#Cc1c(NC(=O)/C=C\c2ccc(Cl)c(Cl)c2)sc2c1CCC2 ZINC000096437968 222119463 /nfs/dbraw/zinc/11/94/63/222119463.db2.gz GWXGMICLMJDVOL-ALCCZGGFSA-N 0 0 363.269 5.067 10 30 FKEERN Cc1sc(NC(=O)/C=C\c2ccc(Cl)cc2Cl)c(C#N)c1C ZINC000096505743 209152836 /nfs/dbraw/zinc/15/28/36/209152836.db2.gz PGMJGZKQXLGIHR-XQRVVYSFSA-N 0 0 351.258 5.195 10 30 FKEERN CCCCCCCCCCCCCCC[C@@H](O)[C@@H](CO)NC(=O)CCC ZINC000097974457 222217876 /nfs/dbraw/zinc/21/78/76/222217876.db2.gz OQNWHOCKDMLTSP-NHCUHLMSSA-N 0 0 371.606 5.106 10 30 FKEERN CCCCCCCCCCCCCCCCCCP(=O)(OC)OC ZINC000097976226 222218126 /nfs/dbraw/zinc/21/81/26/222218126.db2.gz FPYLHOQPWCQAIJ-UHFFFAOYSA-N 0 0 362.535 7.734 10 30 FKEERN CCCCCCCCCCC[C@@H]1CC(=O)[C@H](CCCCCC)C(=O)O1 ZINC000097978723 209200573 /nfs/dbraw/zinc/20/05/73/209200573.db2.gz TYBPYMSSRRRYRQ-UXHICEINSA-N 0 0 352.559 6.379 10 30 FKEERN CC(N=Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1)c1ccco1 ZINC000097995904 222219342 /nfs/dbraw/zinc/21/93/42/222219342.db2.gz VOYQCWIEOWAYKK-CFRMEGHHSA-N 0 0 362.820 5.379 10 30 FKEERN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000098023377 222221716 /nfs/dbraw/zinc/22/17/16/222221716.db2.gz SACSVHWPYALNHY-WCIBSUBMSA-N 0 0 374.292 6.321 10 30 FKEERN N#Cc1cccc(C2(C(=O)C3(c4cccc(C#N)c4)CCCC3)CCCC2)c1 ZINC000098090030 222229091 /nfs/dbraw/zinc/22/90/91/222229091.db2.gz PCHUJVSXQGCTCK-UHFFFAOYSA-N 0 0 368.480 5.323 10 30 FKEERN Cc1ccc(C#Cc2nc3cc(Cl)ccc3nc2-c2ccc(C)cc2)cc1 ZINC000098177954 206704185 /nfs/dbraw/zinc/70/41/85/206704185.db2.gz YAHSWDXECSMIHT-UHFFFAOYSA-N 0 0 368.867 5.967 10 30 FKEERN O=C1C=C(c2ccccc2)O[C@@](/C=C/c2ccccc2)(c2ccccc2)C1 ZINC000098178187 209205792 /nfs/dbraw/zinc/20/57/92/209205792.db2.gz IQUUMOHLBZUCHF-YFDWJFFGSA-N 0 0 352.433 5.626 10 30 FKEERN O=C1C=C(c2ccccc2)O[C@](/C=C/c2ccccc2)(c2ccccc2)C1 ZINC000098178188 222230057 /nfs/dbraw/zinc/23/00/57/222230057.db2.gz IQUUMOHLBZUCHF-OSBDDZKNSA-N 0 0 352.433 5.626 10 30 FKEERN O=C1C=CO[C@H](C(=C(c2ccccc2)c2ccccc2)c2ccccc2)C1 ZINC000098178189 222229802 /nfs/dbraw/zinc/22/98/02/222229802.db2.gz WEGCLBIQMZNOCY-QHCPKHFHSA-N 0 0 352.433 5.517 10 30 FKEERN O=C1C=CO[C@@H](C(=C(c2ccccc2)c2ccccc2)c2ccccc2)C1 ZINC000098178190 222229858 /nfs/dbraw/zinc/22/98/58/222229858.db2.gz WEGCLBIQMZNOCY-HSZRJFAPSA-N 0 0 352.433 5.517 10 30 FKEERN c1ccc(N=NC(N=Nc2cccc3ccccc32)c2ccccc2)cc1 ZINC000100010555 222231139 /nfs/dbraw/zinc/23/11/39/222231139.db2.gz AXEBHHNKLXVOET-AOWSIEKHSA-N 0 0 350.425 6.397 10 30 FKEERN CCCCCCCCCCCCCCCCNC(=O)NC1CCCCC1 ZINC000100029925 519999692 /nfs/dbraw/zinc/99/96/92/519999692.db2.gz CRLGKEQWBJCXCG-UHFFFAOYSA-N 0 0 366.634 7.100 10 30 FKEERN CCCOC(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000100031365 520221050 /nfs/dbraw/zinc/22/10/50/520221050.db2.gz QHPXWUQTMJLPHM-KOEQRZSOSA-N 0 0 373.452 5.583 10 30 FKEERN Oc1ccc(Br)cc1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000100032133 222233526 /nfs/dbraw/zinc/23/35/26/222233526.db2.gz GRRPFNIFCLLLOE-FYJGNVAPSA-N 0 0 367.246 5.649 10 30 FKEERN Clc1cccc(Cl)c1/C=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000100033392 222233634 /nfs/dbraw/zinc/23/36/34/222233634.db2.gz BAPKSYCAXZDVIA-QTANEOQUSA-N 0 0 354.240 7.159 10 30 FKEERN CCCCCCCCCCCCCCCC(=O)c1ccc(N(C)C)cc1 ZINC000100034762 519989932 /nfs/dbraw/zinc/98/99/32/519989932.db2.gz RDNKTVBSDOMEFC-UHFFFAOYSA-N 0 0 359.598 7.417 10 30 FKEERN CCCCCCCCCCCCCCCCn1ccc2cc(OC)ccc21 ZINC000100035333 520003829 /nfs/dbraw/zinc/00/38/29/520003829.db2.gz IQMKDIGVDUGGPC-UHFFFAOYSA-N 0 0 371.609 8.131 10 30 FKEERN CCCCCCCCCCCCCCCC(=O)n1ccc2ccccc21 ZINC000100035550 519989977 /nfs/dbraw/zinc/98/99/77/519989977.db2.gz SCOBDRVKZQGDEW-UHFFFAOYSA-N 0 0 355.566 7.763 10 30 FKEERN CCCCCCCCCCCCCCCC(=O)Oc1c[nH]c2ccccc12 ZINC000100035576 519989651 /nfs/dbraw/zinc/98/96/51/519989651.db2.gz GXESLRZOSLAXQB-UHFFFAOYSA-N 0 0 371.565 7.555 10 30 FKEERN CCCCCCCNC(=O)c1ccc(C(=O)NCCCCCCC)cc1 ZINC000100040398 222232364 /nfs/dbraw/zinc/23/23/64/222232364.db2.gz SIXRQIVMZKGEII-UHFFFAOYSA-N 0 0 360.542 5.087 10 30 FKEERN CC(=O)N(C)c1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000100041535 209207124 /nfs/dbraw/zinc/20/71/24/209207124.db2.gz ODXCWAPZXSNQQN-PCLIKHOPSA-N 0 0 352.437 5.726 10 30 FKEERN C(=N/c1ccc(Nc2ccccc2)cc1)\c1c2ccccc2cc2ccccc21 ZINC000100041541 205938542 /nfs/dbraw/zinc/93/85/42/205938542.db2.gz QEAULXMWBXBRBZ-TURZUDJPSA-N 0 0 372.471 7.487 10 30 FKEERN O=[N+]([O-])c1cc(/N=C/c2c3ccccc3cc3ccccc23)ccc1Cl ZINC000100041560 209207220 /nfs/dbraw/zinc/20/72/20/209207220.db2.gz GWQKWLATLPKFNW-YDZHTSKRSA-N 0 0 360.800 6.305 10 30 FKEERN CCCOC(=O)c1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000100041592 222233569 /nfs/dbraw/zinc/23/35/69/222233569.db2.gz GQJAGPUMPAHCEQ-YZSQISJMSA-N 0 0 367.448 6.310 10 30 FKEERN O=C(Nc1cccc(Cl)c1)c1cccc(/N=C/c2ccc(F)cc2)c1 ZINC000100042164 222232943 /nfs/dbraw/zinc/23/29/43/222232943.db2.gz JXFACSCTEPMIGQ-YDZHTSKRSA-N 0 0 352.796 5.482 10 30 FKEERN C#Cc1ccc(OCCCCCCCC)c(OCCCCCCCC)c1 ZINC000100050177 222233178 /nfs/dbraw/zinc/23/31/78/222233178.db2.gz QDYNXKFFNOKBSN-UHFFFAOYSA-N 0 0 358.566 7.147 10 30 FKEERN CCCCCCCCCCCCCCC/C=C/C1=NC(CO)(CO)CO1 ZINC000100050294 209208641 /nfs/dbraw/zinc/20/86/41/209208641.db2.gz XOIFQOFMUVENJH-WUKNDPDISA-N 0 0 367.574 5.176 10 30 FKEERN C=CC(=O)OCCCCCCCCCCCCCCCCCCCC ZINC000100050651 222232545 /nfs/dbraw/zinc/23/25/45/222232545.db2.gz NGYRYRBDIPYKTL-UHFFFAOYSA-N 0 0 352.603 7.757 10 30 FKEERN F/C(=C(/F)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000100050937 205938104 /nfs/dbraw/zinc/93/81/04/205938104.db2.gz XEZNMPPRUWYMLS-BUHFOSPRSA-N 0 0 352.224 6.489 10 30 FKEERN CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)(C)CO ZINC000100051264 205938981 /nfs/dbraw/zinc/93/89/81/205938981.db2.gz VVEKMBGQZPFARL-QXMHVHEDSA-N 0 0 368.602 6.586 10 30 FKEERN CCCCCCCCCCCCc1c(O)ccc(C(C)(C)C)c1C(C)(C)C ZINC000100051267 520015240 /nfs/dbraw/zinc/01/52/40/520015240.db2.gz NCLOCTQVALZMOS-UHFFFAOYSA-N 0 0 374.653 8.451 10 30 FKEERN CCCCCCCCCCCCCCCCCCCc1ccc(C)cc1 ZINC000100051678 519995427 /nfs/dbraw/zinc/99/54/27/519995427.db2.gz YBQRSYWBVBCGLV-UHFFFAOYSA-N 0 0 358.654 9.189 10 30 FKEERN CCCCCCCCCCCCCCCCCC(=O)OCCCCO ZINC000100063048 222234159 /nfs/dbraw/zinc/23/41/59/222234159.db2.gz IKDHIMYPOLRLJB-UHFFFAOYSA-N 0 0 356.591 6.564 10 30 FKEERN CCCCCCCC/C=C\CCCCCCCCCCCCOC(C)=O ZINC000100077020 222234309 /nfs/dbraw/zinc/23/43/09/222234309.db2.gz DFNNQVPOKYHPKD-KHPPLWFESA-N 0 0 366.630 8.147 10 30 FKEERN CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(O)cc2)cc1 ZINC000100093706 209208678 /nfs/dbraw/zinc/20/86/78/209208678.db2.gz YCHRWODBTTZRGA-UHFFFAOYSA-N 0 0 370.489 6.131 10 30 FKEERN CCCCCCCCCCCCCCCCCC1N=NC(=S)N1N ZINC000100114668 519998287 /nfs/dbraw/zinc/99/82/87/519998287.db2.gz XBINDEBBUSHZTM-UHFFFAOYSA-N 0 0 354.608 5.695 10 30 FKEERN Cc1cc(/C=N/c2cccc3cccnc32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116546 222235905 /nfs/dbraw/zinc/23/59/05/222235905.db2.gz JJIBQYZMQDXWIV-ZVHZXABRSA-N 0 0 370.412 5.301 10 30 FKEERN Cc1cc(/C=N/c2cccc3cccnc32)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116549 222235705 /nfs/dbraw/zinc/23/57/05/222235705.db2.gz FGFCUVPCDUACEC-CVKSISIWSA-N 0 0 353.469 6.010 10 30 FKEERN Cc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)o1 ZINC000100143115 209210676 /nfs/dbraw/zinc/21/06/76/209210676.db2.gz WXMUKUJNLSQIDJ-KIOXBDSISA-N 0 0 366.486 5.525 10 30 FKEERN Cc1ccc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)o1 ZINC000100143168 205939677 /nfs/dbraw/zinc/93/96/77/205939677.db2.gz USDIEKSDNACNQS-LPYMAVHISA-N 0 0 370.518 5.341 10 30 FKEERN Cc1ccc2nc(-c3ccc(/N=C/c4ccc5c(c4)OCO5)cc3)sc2c1 ZINC000100144225 209210016 /nfs/dbraw/zinc/21/00/16/209210016.db2.gz STBVIKVSLRBXME-FSJBWODESA-N 0 0 372.449 5.751 10 30 FKEERN Cc1nc(CSc2nsc(C=CNc3ccccc3)c2C#N)cs1 ZINC000100147159 222237550 /nfs/dbraw/zinc/23/75/50/222237550.db2.gz NMUUOQUZXLMABN-FPLPWBNLSA-N 0 0 370.528 5.155 10 30 FKEERN CCCCCCCC(=O)Oc1ccc(/C=C\C(=O)c2ccccc2)cc1 ZINC000100165717 570527166 /nfs/dbraw/zinc/52/71/66/570527166.db2.gz JGYOERFSWKBFJH-SDXDJHTJSA-N 0 0 350.458 5.849 10 30 FKEERN CCCCCCCCc1ccc(/N=C/c2ccc(OCCCC)cc2)cc1 ZINC000100166196 520049676 /nfs/dbraw/zinc/04/96/76/520049676.db2.gz KELVVZFTTYSOQH-YYADALCUSA-N 0 0 365.561 7.519 10 30 FKEERN CCCCCCCCC/C=C\C=C/C=C\C=C/C=C\C=C/C(=O)OCC ZINC000100166463 222238130 /nfs/dbraw/zinc/23/81/30/222238130.db2.gz TYLNXKAVUJJPMU-WJOLWSKYSA-N 0 0 356.550 7.027 10 30 FKEERN CCCCCCCCC/C=C/C=C/C=C\C=C/C=C\C=C/C(=O)OCC ZINC000100166473 209210272 /nfs/dbraw/zinc/21/02/72/209210272.db2.gz TYLNXKAVUJJPMU-JRVXUPPOSA-N 0 0 356.550 7.027 10 30 FKEERN CCCCCCCCCCC/C(=N/NC(N)=S)c1cc(C)ccc1O ZINC000100166605 519981703 /nfs/dbraw/zinc/98/17/03/519981703.db2.gz XYHCXEHTPJSVDY-PYCFMQQDSA-N 0 0 363.571 5.159 10 30 FKEERN CCCCCCCCCCCCCCC/C(=N/O)c1cc(C)ccc1O ZINC000100166865 519988472 /nfs/dbraw/zinc/98/84/72/519988472.db2.gz FAAJNIKXSIUEQE-GYHWCHFESA-N 0 0 361.570 7.360 10 30 FKEERN CCCCCCCC/C=C\CCCCCCCCCCCCC(=O)OC ZINC000100168521 209210506 /nfs/dbraw/zinc/21/05/06/209210506.db2.gz KCOWSNCYAACQAI-KHPPLWFESA-N 0 0 366.630 8.147 10 30 FKEERN CCCCCCCCCc1nc(Br)sc1Br ZINC000100169436 520032075 /nfs/dbraw/zinc/03/20/75/520032075.db2.gz QHYXAYKIZLXYKI-UHFFFAOYSA-N 0 0 369.166 5.961 10 30 FKEERN CCCCCCCC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CCCCCCC ZINC000100171556 222238247 /nfs/dbraw/zinc/23/82/47/222238247.db2.gz NHUKVDOWBNNVFH-BGYRXZFFSA-N 0 0 366.590 5.251 10 30 FKEERN CCCCCCCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)CCCCCCC ZINC000100171562 222238222 /nfs/dbraw/zinc/23/82/22/222238222.db2.gz NHUKVDOWBNNVFH-PMACEKPBSA-N 0 0 366.590 5.251 10 30 FKEERN CCCCCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCCCCCC ZINC000100171565 222238638 /nfs/dbraw/zinc/23/86/38/222238638.db2.gz NHUKVDOWBNNVFH-WOJBJXKFSA-N 0 0 366.590 5.251 10 30 FKEERN CCOC(=O)c1ccc(/N=C\c2ccc(OCc3ccccc3)cc2)cc1 ZINC000100199634 521466422 /nfs/dbraw/zinc/46/64/22/521466422.db2.gz BWSMFVJXLIVYOM-JLPGSUDCSA-N 0 0 359.425 5.193 10 30 FKEERN Clc1cccc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)c1Cl ZINC000100200957 209209915 /nfs/dbraw/zinc/20/99/15/209209915.db2.gz CRMUZKFBYULJBE-OQCIYUAISA-N 0 0 354.240 7.159 10 30 FKEERN Clc1cccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)c1Cl ZINC000100200964 209210334 /nfs/dbraw/zinc/21/03/34/209210334.db2.gz CRMUZKFBYULJBE-SFPXKAPDSA-N 0 0 354.240 7.159 10 30 FKEERN Clc1ccc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)c(Cl)c1 ZINC000100201130 222238645 /nfs/dbraw/zinc/23/86/45/222238645.db2.gz ZGFJZISTZJFDMD-OQCIYUAISA-N 0 0 354.240 7.159 10 30 FKEERN Clc1ccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)c(Cl)c1 ZINC000100201138 209210224 /nfs/dbraw/zinc/21/02/24/209210224.db2.gz ZGFJZISTZJFDMD-SFPXKAPDSA-N 0 0 354.240 7.159 10 30 FKEERN Brc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1 ZINC000100203347 222238833 /nfs/dbraw/zinc/23/88/33/222238833.db2.gz HNXPEXYNYOJXEU-STZFKDTASA-N 0 0 352.231 5.992 10 30 FKEERN Brc1ccc(/C=N\c2ccc(Nc3ccccc3)cc2)cc1 ZINC000100203355 222238909 /nfs/dbraw/zinc/23/89/09/222238909.db2.gz GWYIVVKJFUBLOA-STZFKDTASA-N 0 0 351.247 5.943 10 30 FKEERN COc1ccc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)c2ccccc12 ZINC000100205708 209210978 /nfs/dbraw/zinc/21/09/78/209210978.db2.gz PMPPNZSHDSUPPZ-KFAHEEFRSA-N 0 0 365.436 7.014 10 30 FKEERN FC(F)(F)Oc1ccc(/N=C\c2ccc(OCc3ccccc3)cc2)cc1 ZINC000100206868 527675279 /nfs/dbraw/zinc/67/52/79/527675279.db2.gz TWSTYIWUXPBZKT-QFEZKATASA-N 0 0 371.358 5.915 10 30 FKEERN Brc1ccc(/N=C\c2ccc(OCc3ccccc3)cc2)cc1 ZINC000100206876 209210935 /nfs/dbraw/zinc/21/09/35/209210935.db2.gz NDPVPHKWMLFGBU-HMAPJEAMSA-N 0 0 366.258 5.779 10 30 FKEERN O=[N+]([O-])c1cc(/N=C\c2ccc(OCc3ccccc3)cc2)ccc1Cl ZINC000100206881 222238511 /nfs/dbraw/zinc/23/85/11/222238511.db2.gz DXYSODTXGRWXPB-XKZIYDEJSA-N 0 0 366.804 5.578 10 30 FKEERN CCN(CC)c1ccc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)cc1 ZINC000100206976 520884379 /nfs/dbraw/zinc/88/43/79/520884379.db2.gz MPITWBCAAVINIU-OEIYZOPGSA-N 0 0 356.473 6.699 10 30 FKEERN CCN(CC)c1ccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000100206984 222238563 /nfs/dbraw/zinc/23/85/63/222238563.db2.gz MPITWBCAAVINIU-UIQUVGQESA-N 0 0 356.473 6.699 10 30 FKEERN COc1cc(/C=N\c2ccc(Nc3ccccc3)cc2)cc(OC)c1OC ZINC000100208820 522011459 /nfs/dbraw/zinc/01/14/59/522011459.db2.gz PTXRLECHXKLXHX-HAHDFKILSA-N 0 0 362.429 5.207 10 30 FKEERN Brc1ccc(/N=C\c2c3ccccc3cc3ccccc32)cc1 ZINC000100211248 222239817 /nfs/dbraw/zinc/23/98/17/222239817.db2.gz CDTZFJKBRMQGOT-UCQKPKSFSA-N 0 0 360.254 6.506 10 30 FKEERN CCN(CC)c1ccc(/N=C\c2c3ccccc3cc3ccccc32)cc1 ZINC000100218541 209210966 /nfs/dbraw/zinc/21/09/66/209210966.db2.gz VGOQGSBGHZMGEN-ITYLOYPMSA-N 0 0 352.481 6.590 10 30 FKEERN FC(F)(F)c1cc(Cl)nc(/N=C(/Cl)c2ccc(Cl)cc2)c1 ZINC000100221051 205942219 /nfs/dbraw/zinc/94/22/19/205942219.db2.gz OZZWMHKLTMOWKM-CIAFOILYSA-N 0 0 353.558 5.724 10 30 FKEERN CN(C)/C(=N/c1cc(C(F)(F)F)cc(Cl)n1)c1ccc(Cl)cc1 ZINC000100221054 222239925 /nfs/dbraw/zinc/23/99/25/222239925.db2.gz GTAUKKIKEBBHQM-HYARGMPZSA-N 0 0 362.182 5.047 10 30 FKEERN COc1ccc([N+](=O)[O-])cc1/N=C\c1c2ccccc2cc2ccccc21 ZINC000100225719 222239479 /nfs/dbraw/zinc/23/94/79/222239479.db2.gz UBOUWMKGXKBGAQ-UCQKPKSFSA-N 0 0 356.381 5.660 10 30 FKEERN Fc1ccc(/C=N\c2cccc3c(/N=C\c4ccc(F)cc4)cccc23)cc1 ZINC000100227756 209212304 /nfs/dbraw/zinc/21/23/04/209212304.db2.gz RGGQDKYQWSWGKS-USYBVIFISA-N 0 0 370.402 6.619 10 30 FKEERN N#Cc1c2c(sc1/N=C\c1c3ccccc3cc3ccccc31)CCCC2 ZINC000100228733 209211788 /nfs/dbraw/zinc/21/17/88/209211788.db2.gz DFGQTRNZLUHOQA-YSMPRRRNSA-N 0 0 366.489 6.556 10 30 FKEERN CN1c2ccccc2C(C)(C)/C1=C\C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000100259486 209212506 /nfs/dbraw/zinc/21/25/06/209212506.db2.gz LSPIKXAEGNVEEF-XRBXDRSNSA-N 0 0 372.512 5.179 10 30 FKEERN C=C(CC)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000100266978 222241011 /nfs/dbraw/zinc/24/10/11/222241011.db2.gz SVVHIZNWVYBQGV-UHFFFAOYSA-N 0 0 369.266 5.472 10 30 FKEERN CCCCCCCC[C@H](CCCCCC)COc1ccccc1C(N)=O ZINC000100291298 520047243 /nfs/dbraw/zinc/04/72/43/520047243.db2.gz CMQJSECIJIYKFU-FQEVSTJZSA-N 0 0 361.570 6.502 10 30 FKEERN CCCCCCCC[C@@H](CCCCCC)COc1ccccc1C(N)=O ZINC000100291301 520047663 /nfs/dbraw/zinc/04/76/63/520047663.db2.gz CMQJSECIJIYKFU-HXUWFJFHSA-N 0 0 361.570 6.502 10 30 FKEERN COc1ccc2ccccc2c1/N=C/C=N/c1c(OC)ccc2ccccc21 ZINC000100293997 209212158 /nfs/dbraw/zinc/21/21/58/209212158.db2.gz CMGJCQICWXZYTB-RYQLWAFASA-N 0 0 368.436 6.115 10 30 FKEERN CCCCCCCCOC(CCCCCCC)OCCCCCCCC ZINC000100295909 209212395 /nfs/dbraw/zinc/21/23/95/209212395.db2.gz MOYIXNPVAUEVMW-UHFFFAOYSA-N 0 0 370.662 8.427 10 30 FKEERN COc1ccccc1NC=Cc1onc(-c2c(F)cccc2Cl)c1C#N ZINC000100296195 222240729 /nfs/dbraw/zinc/24/07/29/222240729.db2.gz BCJMHVLTGNCMOS-KTKRTIGZSA-N 0 0 369.783 5.097 10 30 FKEERN O=C(C=C1Nc2ccccc2NC1=CC(=O)c1ccccc1)c1ccccc1 ZINC000100296932 206223514 /nfs/dbraw/zinc/22/35/14/206223514.db2.gz IAOHCDDPBBHCQD-KBNZVFGVSA-N 0 0 366.420 5.058 10 30 FKEERN COc1cc(/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)ccc1O ZINC000100298327 222240842 /nfs/dbraw/zinc/24/08/42/222240842.db2.gz GZNVOAGYOMSKDB-YDZHTSKRSA-N 0 0 365.816 5.036 10 30 FKEERN CCCCCCCCCCCCc1ccc(-c2cc3ccccc3[nH]2)cc1 ZINC000100304007 222240976 /nfs/dbraw/zinc/24/09/76/222240976.db2.gz BTFUHFBRQZAJRT-UHFFFAOYSA-N 0 0 361.573 8.298 10 30 FKEERN CCCCCCCCCCCCCCCCCC(=O)OCCC(C)C ZINC000100307302 209212622 /nfs/dbraw/zinc/21/26/22/209212622.db2.gz WDQOEAOLRIMQDA-UHFFFAOYSA-N 0 0 354.619 7.837 10 30 FKEERN CCCCCCCCCCCCCCCCCC(=O)OCCCCCC ZINC000100307306 222240987 /nfs/dbraw/zinc/24/09/87/222240987.db2.gz SMWDEDPRQFUXNH-UHFFFAOYSA-N 0 0 368.646 8.371 10 30 FKEERN CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1 ZINC000100309318 519997415 /nfs/dbraw/zinc/99/74/15/519997415.db2.gz KPWVFNOPNOTYNJ-UHFFFAOYSA-N 0 0 374.609 8.105 10 30 FKEERN CCCCCCCCCCCCCCCCOC(=O)CCCCC(C)C ZINC000100309984 209212087 /nfs/dbraw/zinc/21/20/87/209212087.db2.gz OIKBVOIOVNEVJR-UHFFFAOYSA-N 0 0 368.646 8.227 10 30 FKEERN CCCCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000100311348 222241533 /nfs/dbraw/zinc/24/15/33/222241533.db2.gz WYSZDBDWXPAHDS-UHFFFAOYSA-N 0 0 363.545 7.525 10 30 FKEERN c1ccc(N=NC(=NN=c2[nH]c3ccccc3s2)c2ccccc2)cc1 ZINC000100322206 209211871 /nfs/dbraw/zinc/21/18/71/209211871.db2.gz JIMQSJYTNLHEGF-CWVGMMENSA-N 0 0 357.442 5.854 10 30 FKEERN c1ccc(N=NC(=NN=c2[nH]c3ccccc3s2)c2ccccc2)cc1 ZINC000100322211 205943749 /nfs/dbraw/zinc/94/37/49/205943749.db2.gz JIMQSJYTNLHEGF-DTHCKXLSSA-N 0 0 357.442 5.854 10 30 FKEERN CCCCCCCCCCCCCCCC[C@@H](O)COCCOCCO ZINC000100355824 222241678 /nfs/dbraw/zinc/24/16/78/222241678.db2.gz ZRPMKCRNMKWTGW-JOCHJYFZSA-N 0 0 374.606 5.244 10 30 FKEERN CCCCCCCCCCCCCCCCCC(=O)N1CCN(C)CC1 ZINC000100360708 519989958 /nfs/dbraw/zinc/98/99/58/519989958.db2.gz BOQIMZOMIHDXGR-UHFFFAOYSA-N 0 0 366.634 6.022 10 30 FKEERN CCCCCCCCCCCCCCOc1nc(Cl)nc(Cl)n1 ZINC000100371707 520007539 /nfs/dbraw/zinc/00/75/39/520007539.db2.gz ADPXJENOKRHJCX-UHFFFAOYSA-N 0 0 362.345 6.258 10 30 FKEERN N#Cc1c(C=CNc2ccccc2Cl)onc1-c1ccccc1Cl ZINC000100392082 222242996 /nfs/dbraw/zinc/24/29/96/222242996.db2.gz JGXBUBIAQKVEHO-KTKRTIGZSA-N 0 0 356.212 5.603 10 30 FKEERN CCCCCCCCCC[C@H](C)CCCc1ccccc1S(N)(=O)=O ZINC000100393955 520025901 /nfs/dbraw/zinc/02/59/01/520025901.db2.gz YZXMSGYYSMNKOC-IBGZPJMESA-N 0 0 367.599 5.824 10 30 FKEERN CCCCCCCCCC[C@@H](C)CCCc1ccccc1S(N)(=O)=O ZINC000100393956 520023721 /nfs/dbraw/zinc/02/37/21/520023721.db2.gz YZXMSGYYSMNKOC-LJQANCHMSA-N 0 0 367.599 5.824 10 30 FKEERN CCCCCCCCCCCCCCCCCC(=O)NCc1ccco1 ZINC000100396718 519992526 /nfs/dbraw/zinc/99/25/26/519992526.db2.gz YORALIKRBUINAP-UHFFFAOYSA-N 0 0 363.586 7.157 10 30 FKEERN N#Cc1c(C=CNc2ccc(Cl)cc2)onc1-c1ccccc1Cl ZINC000100401474 209213711 /nfs/dbraw/zinc/21/37/11/209213711.db2.gz RHXYZIQSFPAUTJ-KTKRTIGZSA-N 0 0 356.212 5.603 10 30 FKEERN N#Cc1c(C=CNc2ccccc2)onc1-c1c(Cl)cccc1Cl ZINC000100403636 222242659 /nfs/dbraw/zinc/24/26/59/222242659.db2.gz JGHSMWUSTWBCOH-KTKRTIGZSA-N 0 0 356.212 5.603 10 30 FKEERN N#Cc1c(C=CNc2cccc(Cl)c2)onc1-c1ccccc1Cl ZINC000100404423 222242447 /nfs/dbraw/zinc/24/24/47/222242447.db2.gz GOVZRNVRLFZAHZ-HJWRWDBZSA-N 0 0 356.212 5.603 10 30 FKEERN O=C1c2c(cccc2F)[C@@H](c2ccccc2)C1=CNc1ccc(Cl)cc1 ZINC000100411427 222243471 /nfs/dbraw/zinc/24/34/71/222243471.db2.gz GEPZAISBSMTRKM-MTGKDYNDSA-N 0 0 363.819 5.803 10 30 FKEERN O=C1c2c(cccc2F)[C@H](c2ccccc2)C1=CNc1ccc(Cl)cc1 ZINC000100411429 222242868 /nfs/dbraw/zinc/24/28/68/222242868.db2.gz GEPZAISBSMTRKM-LVSKKATPSA-N 0 0 363.819 5.803 10 30 FKEERN C(=N/c1ccc(-c2ccccc2)cc1)\c1ccc(Sc2ccccc2)o1 ZINC000100430333 222244312 /nfs/dbraw/zinc/24/43/12/222244312.db2.gz OMYAGVNHYNYBCW-JJIBRWJFSA-N 0 0 355.462 6.848 10 30 FKEERN O=C1/C(=C\c2cccs2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000100437025 209213525 /nfs/dbraw/zinc/21/35/25/209213525.db2.gz SPVRBDMLDLMFAG-SXFBWKAHSA-N 0 0 368.527 5.685 10 30 FKEERN CC(C)(C)c1cc(/C=N\[C@H]2c3ccccc3C[C@@H]2O)c(O)c(C(C)(C)C)c1 ZINC000100471304 209214920 /nfs/dbraw/zinc/21/49/20/209214920.db2.gz MMNHXVSQIRTBOZ-FLNXWHJTSA-N 0 0 365.517 5.064 10 30 FKEERN O=C1c2c(cccc2F)[C@@H](c2ccccc2)C1=CNc1ccccc1[N+](=O)[O-] ZINC000100474499 209214955 /nfs/dbraw/zinc/21/49/55/209214955.db2.gz ZWNOUSSCOSFKCT-QTXHJTIISA-N 0 0 374.371 5.058 10 30 FKEERN O=C1c2c(cccc2F)[C@H](c2ccccc2)C1=CNc1ccccc1[N+](=O)[O-] ZINC000100474502 222245575 /nfs/dbraw/zinc/24/55/75/222245575.db2.gz ZWNOUSSCOSFKCT-JDQHYLEWSA-N 0 0 374.371 5.058 10 30 FKEERN O=[N+]([O-])c1ccsc1-c1ccc(/C=N/c2ccc3ccccc3c2)s1 ZINC000100474970 209215110 /nfs/dbraw/zinc/21/51/10/209215110.db2.gz HGICTSPWNBKUFF-UDWIEESQSA-N 0 0 364.451 6.289 10 30 FKEERN O=C(C=C1Nc2ccccc2NC1=CC(=O)c1ccccc1)c1ccccc1 ZINC000100476470 570561491 /nfs/dbraw/zinc/56/14/91/570561491.db2.gz IAOHCDDPBBHCQD-YHARCJFQSA-N 0 0 366.420 5.058 10 30 FKEERN O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ccc(Br)c(Cl)c2)c1 ZINC000100480055 222245633 /nfs/dbraw/zinc/24/56/33/222245633.db2.gz ZQKLJUSUKOYRAZ-IDUWFGFVSA-N 0 0 374.021 5.415 10 30 FKEERN O=[N+]([O-])c1cc(/C=N\c2ccc(Br)c(Cl)c2)ccc1Cl ZINC000100480059 222245105 /nfs/dbraw/zinc/24/51/05/222245105.db2.gz CGKLGYIXVVWNPV-IDUWFGFVSA-N 0 0 374.021 5.415 10 30 FKEERN COc1cc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)ccc1OC(C)=O ZINC000100486493 263435784 /nfs/dbraw/zinc/43/57/84/263435784.db2.gz VYAHRJXJLCDGCR-VWTBIULUSA-N 0 0 373.412 5.787 10 30 FKEERN COc1cc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)ccc1OC(C)=O ZINC000100486497 263435842 /nfs/dbraw/zinc/43/58/42/263435842.db2.gz VYAHRJXJLCDGCR-QADSEFCXSA-N 0 0 373.412 5.787 10 30 FKEERN O=C1C=CC(=NNc2ccc(N=Nc3ccccc3)c3ccccc23)C=C1 ZINC000100487318 222245084 /nfs/dbraw/zinc/24/50/84/222245084.db2.gz OYLYPSTUVSONQA-BZZOAKBMSA-N 0 0 352.397 5.718 10 30 FKEERN CCCCCCCCCCCc1c(C(=O)OCC)sc2ccsc21 ZINC000100764358 205948226 /nfs/dbraw/zinc/94/82/26/205948226.db2.gz CXUOLDSCOAGOFW-UHFFFAOYSA-N 0 0 366.592 7.213 10 30 FKEERN CCCCCCCCCCCCCCCCCCOc1ccc(O)cc1 ZINC000100769384 519996105 /nfs/dbraw/zinc/99/61/05/519996105.db2.gz ZKWFHUYRPNGFQC-UHFFFAOYSA-N 0 0 362.598 8.033 10 30 FKEERN CCCCCCCCCCCCCCCc1ccc(OC[C@@H]2CO2)cc1 ZINC000100890631 520005565 /nfs/dbraw/zinc/00/55/65/520005565.db2.gz ZXYKRDJIEKFRTD-XMMPIXPASA-N 0 0 360.582 7.098 10 30 FKEERN CCCCCCCCCCCCCCCc1ccc(OC[C@H]2CO2)cc1 ZINC000100890633 520005592 /nfs/dbraw/zinc/00/55/92/520005592.db2.gz ZXYKRDJIEKFRTD-DEOSSOPVSA-N 0 0 360.582 7.098 10 30 FKEERN CCCCCCCCCOc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1 ZINC000101005882 520029406 /nfs/dbraw/zinc/02/94/06/520029406.db2.gz OFISKMCGMUYAGE-UHFFFAOYSA-N 0 0 368.473 5.848 10 30 FKEERN CCCCCCCCOc1ccc(C(=O)Oc2ccc(CO)cc2)cc1 ZINC000101006159 222259371 /nfs/dbraw/zinc/25/93/71/222259371.db2.gz FVAILIDYRSLMQB-UHFFFAOYSA-N 0 0 356.462 5.137 10 30 FKEERN CCCCCCCCCOc1ccc(C(=O)Oc2ccc(CO)cc2)cc1 ZINC000101006161 209220997 /nfs/dbraw/zinc/22/09/97/209220997.db2.gz HMRNRNKEQYLFCW-UHFFFAOYSA-N 0 0 370.489 5.528 10 30 FKEERN CN1c2ccccc2C(C)(C)/C1=C/C=C\C=C1\CCc2ccccc2C1=O ZINC000101322196 222270086 /nfs/dbraw/zinc/27/00/86/222270086.db2.gz XIBFOTMBJMTGKN-GJIAGYAOSA-N 0 0 355.481 5.610 10 30 FKEERN CN1c2ccccc2C(C)(C)/C1=C/C=C/C=C1/CCc2ccccc2C1=O ZINC000101322197 222269950 /nfs/dbraw/zinc/26/99/50/222269950.db2.gz XIBFOTMBJMTGKN-UVZLCZKOSA-N 0 0 355.481 5.610 10 30 FKEERN CCCCCCCOc1ccc(/C=C\C(=O)Oc2ccc(C#N)cc2)cc1 ZINC000101408419 520062242 /nfs/dbraw/zinc/06/22/42/520062242.db2.gz GDGPEIRFCAZFGV-WJDWOHSUSA-N 0 0 363.457 5.526 10 30 FKEERN CCCCCCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000101444397 222274990 /nfs/dbraw/zinc/27/49/90/222274990.db2.gz QBLIIFWOSXOHNW-AQTBWJFISA-N 0 0 372.559 5.730 10 30 FKEERN COc1ccc(/C=N\c2ccc3c(c2)ncn3C2CCCCC2)cc1OC ZINC000101499938 209227878 /nfs/dbraw/zinc/22/78/78/209227878.db2.gz OCONUWSWHWZRSC-UCQKPKSFSA-N 0 0 363.461 5.309 10 30 FKEERN CCCCCCCCNC(=O)c1sc2nc(-c3ccccc3)cn2c1C ZINC000101625736 205962007 /nfs/dbraw/zinc/96/20/07/205962007.db2.gz HQWZASFCLOGOAW-UHFFFAOYSA-N 0 0 369.534 5.462 10 30 FKEERN C(=N/c1cccc2ccccc21)\c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000101632872 518378351 /nfs/dbraw/zinc/37/83/51/518378351.db2.gz KKORFTSAKUBKKB-OEAKJJBVSA-N 0 0 369.449 6.211 10 30 FKEERN CCCCCCCCCCCn1c(Cc2cccs2)nc2ccccc21 ZINC000101906652 222287084 /nfs/dbraw/zinc/28/70/84/222287084.db2.gz ATEGSHCIZCHVFJ-UHFFFAOYSA-N 0 0 368.590 7.219 10 30 FKEERN CCCCCCCCCCn1c(Cc2cccs2)nc2ccccc21 ZINC000101906657 222287104 /nfs/dbraw/zinc/28/71/04/222287104.db2.gz HLOPQJWWGWSFAG-UHFFFAOYSA-N 0 0 354.563 6.829 10 30 FKEERN CCCCCCCCCCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000101907242 222286812 /nfs/dbraw/zinc/28/68/12/222286812.db2.gz BTVXAJKAPNJZKU-UHFFFAOYSA-N 0 0 366.524 7.373 10 30 FKEERN CCCCCCCCCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000101907246 222286902 /nfs/dbraw/zinc/28/69/02/222286902.db2.gz VZHIGERUDZLJEF-UHFFFAOYSA-N 0 0 352.497 6.983 10 30 FKEERN CCCCCCCCCCCn1c2ccccc2nc1-c1ccccc1F ZINC000101907668 222287268 /nfs/dbraw/zinc/28/72/68/222287268.db2.gz YJDZZCKSQHNOIN-UHFFFAOYSA-N 0 0 366.524 7.373 10 30 FKEERN CCCCCCCCCCn1c(CNC(=O)CCC)nc2ccccc21 ZINC000102119661 209232232 /nfs/dbraw/zinc/23/22/32/209232232.db2.gz IDGQPCMHHSIKBW-UHFFFAOYSA-N 0 0 357.542 5.593 10 30 FKEERN CCCCCCCCCCCn1c(CNC(=O)CCC)nc2ccccc21 ZINC000102119665 222289255 /nfs/dbraw/zinc/28/92/55/222289255.db2.gz POFBTXOLMVNGCD-UHFFFAOYSA-N 0 0 371.569 5.983 10 30 FKEERN CCCCCCCCCn1c(CNC(=O)C(C)(C)C)nc2ccccc21 ZINC000102121832 222289736 /nfs/dbraw/zinc/28/97/36/222289736.db2.gz NBPSJGPLBIHWAL-UHFFFAOYSA-N 0 0 357.542 5.449 10 30 FKEERN C=CC(=O)NCc1nc2ccccc2n1CCCCCCCCCCC ZINC000102130349 222289563 /nfs/dbraw/zinc/28/95/63/222289563.db2.gz VXTMUJWCMIWJCA-UHFFFAOYSA-N 0 0 355.526 5.369 10 30 FKEERN C=CC(=O)NCc1nc2ccccc2n1CCCCCCCCCCCC ZINC000102130352 205971087 /nfs/dbraw/zinc/97/10/87/205971087.db2.gz OUAAXXCROHBARP-UHFFFAOYSA-N 0 0 369.553 5.759 10 30 FKEERN C=C(C)C(=O)NCc1nc2ccccc2n1CCCCCCCCCC ZINC000102130659 222289296 /nfs/dbraw/zinc/28/92/96/222289296.db2.gz MNIRCRVDKNTWAY-UHFFFAOYSA-N 0 0 355.526 5.369 10 30 FKEERN C=C(C)C(=O)NCc1nc2ccccc2n1CCCCCCCCCCC ZINC000102130664 222289290 /nfs/dbraw/zinc/28/92/90/222289290.db2.gz NGEOJWUECHBRTA-UHFFFAOYSA-N 0 0 369.553 5.759 10 30 FKEERN CCCCCCCCCCCn1c(CCNC(C)=O)nc2ccccc21 ZINC000102135685 222289081 /nfs/dbraw/zinc/28/90/81/222289081.db2.gz JQNDVZLAKXZHPM-UHFFFAOYSA-N 0 0 357.542 5.246 10 30 FKEERN CCCCCCCCCCCCn1c(CCNC(C)=O)nc2ccccc21 ZINC000102135688 209232561 /nfs/dbraw/zinc/23/25/61/209232561.db2.gz SLTMYPQYXQPXQW-UHFFFAOYSA-N 0 0 371.569 5.636 10 30 FKEERN CCCCCCCCCCn1c(CCNC(=O)CC)nc2ccccc21 ZINC000102135816 222290028 /nfs/dbraw/zinc/29/00/28/222290028.db2.gz UBYBPOCJXMOLNZ-UHFFFAOYSA-N 0 0 357.542 5.246 10 30 FKEERN CCCCCCCCCn1c(CCNC(=O)CCC)nc2ccccc21 ZINC000102136039 209232285 /nfs/dbraw/zinc/23/22/85/209232285.db2.gz XXSVPZZZHKAIBV-UHFFFAOYSA-N 0 0 357.542 5.246 10 30 FKEERN CCCCCCCCCCn1c(CCNC(=O)CCC)nc2ccccc21 ZINC000102136043 222289494 /nfs/dbraw/zinc/28/94/94/222289494.db2.gz OPLAKAWPPCDIOU-UHFFFAOYSA-N 0 0 371.569 5.636 10 30 FKEERN CCCCCCCn1c(CCNC(=O)C(CC)CC)nc2ccccc21 ZINC000102136403 222290067 /nfs/dbraw/zinc/29/00/67/222290067.db2.gz SWGCTADVJPXWLS-UHFFFAOYSA-N 0 0 357.542 5.102 10 30 FKEERN CCCCCCCCn1c(CCNC(=O)C(CC)CC)nc2ccccc21 ZINC000102136407 209233507 /nfs/dbraw/zinc/23/35/07/209233507.db2.gz HXNBUNJBFDGBFE-UHFFFAOYSA-N 0 0 371.569 5.492 10 30 FKEERN CCCCCCCCCCn1c(CCNC(=O)C2CC2)nc2ccccc21 ZINC000102137029 222289017 /nfs/dbraw/zinc/28/90/17/222289017.db2.gz RXPJHCBTLHXYFM-UHFFFAOYSA-N 0 0 369.553 5.246 10 30 FKEERN CCCCCCCn1c(CCNC(=O)c2cccs2)nc2ccccc21 ZINC000102137897 209233553 /nfs/dbraw/zinc/23/35/53/209233553.db2.gz WMSUVTHDKOMSNK-UHFFFAOYSA-N 0 0 369.534 5.041 10 30 FKEERN C/C=C/C(=O)NCCc1nc2ccccc2n1CCCCCCCCC ZINC000102144462 222290784 /nfs/dbraw/zinc/29/07/84/222290784.db2.gz QIJMSYLFFVTRCW-YIXHJXPBSA-N 0 0 355.526 5.022 10 30 FKEERN C=CC(=O)NCCc1nc2ccccc2n1CCCCCCCCCC ZINC000102144707 209233536 /nfs/dbraw/zinc/23/35/36/209233536.db2.gz XVEMAEMCVTUJAS-UHFFFAOYSA-N 0 0 355.526 5.022 10 30 FKEERN C=C(C)C(=O)NCCc1nc2ccccc2n1CCCCCCCCC ZINC000102144949 222291550 /nfs/dbraw/zinc/29/15/50/222291550.db2.gz FVTPLPHXDRFGSP-UHFFFAOYSA-N 0 0 355.526 5.022 10 30 FKEERN C=C(C)C(=O)NCCc1nc2ccccc2n1CCCCCCCCCC ZINC000102144952 222291355 /nfs/dbraw/zinc/29/13/55/222291355.db2.gz MUJXULOUDFIUPK-UHFFFAOYSA-N 0 0 369.553 5.412 10 30 FKEERN CCCCCCCCCCn1c(CCCNC(C)=O)nc2ccccc21 ZINC000102145269 209233864 /nfs/dbraw/zinc/23/38/64/209233864.db2.gz GDENEPHHFFIRHM-UHFFFAOYSA-N 0 0 357.542 5.246 10 30 FKEERN CCCCCCCn1c(CCCNC(=O)C(CC)CC)nc2ccccc21 ZINC000102145918 205969813 /nfs/dbraw/zinc/96/98/13/205969813.db2.gz IFRNQZBDWFGTKR-UHFFFAOYSA-N 0 0 371.569 5.492 10 30 FKEERN CCCCCCCCn1c(CCCNC(=O)CCC)nc2ccccc21 ZINC000102146267 222290424 /nfs/dbraw/zinc/29/04/24/222290424.db2.gz DIPZBSFDVWBLQL-UHFFFAOYSA-N 0 0 357.542 5.246 10 30 FKEERN CCCCCCCCCn1c(CCCNC(=O)CCC)nc2ccccc21 ZINC000102146271 222290343 /nfs/dbraw/zinc/29/03/43/222290343.db2.gz PNEAEIKIMFXLPV-UHFFFAOYSA-N 0 0 371.569 5.636 10 30 FKEERN CCCCCCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000102146791 209232938 /nfs/dbraw/zinc/23/29/38/209232938.db2.gz MEMUXCQCMXIWBR-UHFFFAOYSA-N 0 0 357.542 5.102 10 30 FKEERN CCCCCCCCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000102146796 222291130 /nfs/dbraw/zinc/29/11/30/222291130.db2.gz UQFNJGZPVFJYRH-UHFFFAOYSA-N 0 0 371.569 5.492 10 30 FKEERN C=CC(=O)NCCCc1nc2ccccc2n1CCCCCCCCC ZINC000102160194 209233163 /nfs/dbraw/zinc/23/31/63/209233163.db2.gz HAKSXOVZOQQREK-UHFFFAOYSA-N 0 0 355.526 5.022 10 30 FKEERN C=CC(=O)NCCCc1nc2ccccc2n1CCCCCCCCCC ZINC000102160198 222291369 /nfs/dbraw/zinc/29/13/69/222291369.db2.gz JNAYGYJHEHLHFQ-UHFFFAOYSA-N 0 0 369.553 5.412 10 30 FKEERN C=C(C)C(=O)NCCCc1nc2ccccc2n1CCCCCCCCC ZINC000102160586 222290725 /nfs/dbraw/zinc/29/07/25/222290725.db2.gz MQWGZVXXWYAMCM-UHFFFAOYSA-N 0 0 369.553 5.412 10 30 FKEERN C/C=C\C(=O)NCCCc1nc2ccccc2n1CCCCCCCC ZINC000102161004 205970457 /nfs/dbraw/zinc/97/04/57/205970457.db2.gz GXFBKPOKYCBXGJ-PQMHYQBVSA-N 0 0 355.526 5.022 10 30 FKEERN C/C=C\C(=O)NCCCc1nc2ccccc2n1CCCCCCCCC ZINC000102161009 222291510 /nfs/dbraw/zinc/29/15/10/222291510.db2.gz JFPQUNBTQYALBH-CPSFFCFKSA-N 0 0 369.553 5.412 10 30 FKEERN CCCCCCCCCCn1c2ccccc2nc1-c1ccc(C)cc1C ZINC000102162067 209233763 /nfs/dbraw/zinc/23/37/63/209233763.db2.gz HIHQIGYVARQXBI-UHFFFAOYSA-N 0 0 362.561 7.461 10 30 FKEERN CCCCCCCn1c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000102162393 222291166 /nfs/dbraw/zinc/29/11/66/222291166.db2.gz YHZFFPFMITVNLE-UHFFFAOYSA-N 0 0 361.316 6.981 10 30 FKEERN CCCCCCCCn1c(CCCCCNC(C)=O)nc2ccccc21 ZINC000102162716 209233790 /nfs/dbraw/zinc/23/37/90/209233790.db2.gz XBDDYDPDSZWWKO-UHFFFAOYSA-N 0 0 357.542 5.246 10 30 FKEERN CCCCCCCn1c(CCCCCNC(=O)CC)nc2ccccc21 ZINC000102163034 209233709 /nfs/dbraw/zinc/23/37/09/209233709.db2.gz DDXXGWHWEDCZHV-UHFFFAOYSA-N 0 0 357.542 5.246 10 30 FKEERN CCCCCCCCn1c(CCCCCNC(=O)CC)nc2ccccc21 ZINC000102163039 222290844 /nfs/dbraw/zinc/29/08/44/222290844.db2.gz RUKQJKFCORTMEN-UHFFFAOYSA-N 0 0 371.569 5.636 10 30 FKEERN CCCCCCCn1c(CCCCCNC(=O)CCC)nc2ccccc21 ZINC000102163300 222290672 /nfs/dbraw/zinc/29/06/72/222290672.db2.gz GIIGOADTVJQDME-UHFFFAOYSA-N 0 0 371.569 5.636 10 30 FKEERN CCCCCCCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21 ZINC000102164273 209233064 /nfs/dbraw/zinc/23/30/64/209233064.db2.gz INVKAYLACGZHJM-UHFFFAOYSA-N 0 0 371.569 5.492 10 30 FKEERN C=CC(=O)NCCCCCc1nc2ccccc2n1CCCCCCCC ZINC000102173345 222291106 /nfs/dbraw/zinc/29/11/06/222291106.db2.gz ULFFMHSJTRVURE-UHFFFAOYSA-N 0 0 369.553 5.412 10 30 FKEERN CCCCCCCCn1c2ccccc2nc1Cc1ccccc1Cl ZINC000102182107 222290437 /nfs/dbraw/zinc/29/04/37/222290437.db2.gz KVVHBYWUDBQYTR-UHFFFAOYSA-N 0 0 354.925 6.641 10 30 FKEERN CCCCCCCCCn1c2ccccc2nc1Cc1ccccc1Cl ZINC000102182113 222291203 /nfs/dbraw/zinc/29/12/03/222291203.db2.gz SIUMPRFTFQXMJH-UHFFFAOYSA-N 0 0 368.952 7.031 10 30 FKEERN CCCCCCCCCCn1c2ccccc2nc1Cc1ccccc1C ZINC000102182791 222290372 /nfs/dbraw/zinc/29/03/72/222290372.db2.gz ULJAUGIPWMWVQM-UHFFFAOYSA-N 0 0 362.561 7.076 10 30 FKEERN CCCCCCCn1c(COc2ccccc2Cl)nc2ccccc21 ZINC000102185295 222290335 /nfs/dbraw/zinc/29/03/35/222290335.db2.gz FZLVSJNOVUIDOQ-UHFFFAOYSA-N 0 0 356.897 6.239 10 30 FKEERN CCCCCCCCn1c(COc2ccccc2C)nc2ccccc21 ZINC000102186139 209233692 /nfs/dbraw/zinc/23/36/92/209233692.db2.gz SNMJSXUGUVLLKY-UHFFFAOYSA-N 0 0 350.506 6.284 10 30 FKEERN CCCCCCCCCn1c(COc2ccccc2C)nc2ccccc21 ZINC000102186142 222291232 /nfs/dbraw/zinc/29/12/32/222291232.db2.gz YCJQPUVJRSSDTG-UHFFFAOYSA-N 0 0 364.533 6.674 10 30 FKEERN CCCCCCCCCCCCCCCCCCCCCC[C@H](O)CO ZINC000102186357 222290470 /nfs/dbraw/zinc/29/04/70/222290470.db2.gz PTSXVUICYWATQI-DEOSSOPVSA-N 0 0 370.662 7.552 10 30 in-vitro FKEERN CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)CO ZINC000102186359 222291003 /nfs/dbraw/zinc/29/10/03/222291003.db2.gz PTSXVUICYWATQI-XMMPIXPASA-N 0 0 370.662 7.552 10 30 in-vitro FKEERN CCCCCCCCCn1c(COc2cccc(C)c2)nc2ccccc21 ZINC000102186405 222291541 /nfs/dbraw/zinc/29/15/41/222291541.db2.gz ALASFEGVTIAPLR-UHFFFAOYSA-N 0 0 364.533 6.674 10 30 FKEERN CCCCCCCn1c(COc2ccc(CC)cc2)nc2ccccc21 ZINC000102187460 205969943 /nfs/dbraw/zinc/96/99/43/205969943.db2.gz KHSTXYSBPXDTAT-UHFFFAOYSA-N 0 0 350.506 6.148 10 30 FKEERN CCCCCCCn1c(COc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000102188099 222290998 /nfs/dbraw/zinc/29/09/98/222290998.db2.gz NHHWLTCKCZKPAB-UHFFFAOYSA-N 0 0 364.533 6.709 10 30 FKEERN CCCCCCCn1c(COc2cccc3ccccc32)nc2ccccc21 ZINC000102191013 209233355 /nfs/dbraw/zinc/23/33/55/209233355.db2.gz UPIBGYHSWILRKE-UHFFFAOYSA-N 0 0 372.512 6.739 10 30 FKEERN CCCCCCCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 ZINC000102192233 222291498 /nfs/dbraw/zinc/29/14/98/222291498.db2.gz GVRXBELRMVQFFT-DTQAZKPQSA-N 0 0 352.909 6.831 10 30 FKEERN CCCCCCCCCCCCn1c2ccccc2nc1-c1ccco1 ZINC000102193702 222291041 /nfs/dbraw/zinc/29/10/41/222291041.db2.gz DNNYDKDGPULVQN-UHFFFAOYSA-N 0 0 352.522 7.217 10 30 FKEERN CCCCCCCCCCCn1c2ccccc2nc1-c1cccs1 ZINC000102194040 222291254 /nfs/dbraw/zinc/29/12/54/222291254.db2.gz WINQPLGXJCUECJ-UHFFFAOYSA-N 0 0 354.563 7.296 10 30 FKEERN CCCCCCCCCCCCn1c2ccccc2nc1-c1cccs1 ZINC000102194047 222291186 /nfs/dbraw/zinc/29/11/86/222291186.db2.gz OOLKIRJSZUQODO-UHFFFAOYSA-N 0 0 368.590 7.686 10 30 FKEERN CCCCCCCCCCCn1c2ccccc2nc1-c1ccccc1C ZINC000102195059 222290385 /nfs/dbraw/zinc/29/03/85/222290385.db2.gz XSYPIBICCNSSJF-UHFFFAOYSA-N 0 0 362.561 7.543 10 30 FKEERN CCCCCCCCCCCn1c2ccccc2nc1-c1cccc(C)c1 ZINC000102195311 222291393 /nfs/dbraw/zinc/29/13/93/222291393.db2.gz HIEURUUWXCKZHP-UHFFFAOYSA-N 0 0 362.561 7.543 10 30 FKEERN CCCCCCCCCCn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000102195741 209232947 /nfs/dbraw/zinc/23/29/47/209232947.db2.gz BFSAFDGGTKCYQG-UHFFFAOYSA-N 0 0 368.952 7.497 10 30 FKEERN CCCCCCCn1c2ccccc2nc1-c1ccc(Br)cc1 ZINC000102195965 209233210 /nfs/dbraw/zinc/23/32/10/209233210.db2.gz ZYBOLSHEERJEIW-UHFFFAOYSA-N 0 0 371.322 6.436 10 30 FKEERN CCCCCCCn1c2ccccc2nc1-c1cccc(Br)c1 ZINC000102197267 222291474 /nfs/dbraw/zinc/29/14/74/222291474.db2.gz DQIDTLKRZLUAAZ-UHFFFAOYSA-N 0 0 371.322 6.436 10 30 FKEERN CCCCCCCCCn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000102197499 222292376 /nfs/dbraw/zinc/29/23/76/222292376.db2.gz KTYKZLZLHULRIM-UHFFFAOYSA-N 0 0 354.925 7.107 10 30 FKEERN CCCCCCCCCCn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000102197503 205970133 /nfs/dbraw/zinc/97/01/33/205970133.db2.gz GIRCESZXOCVVNX-UHFFFAOYSA-N 0 0 368.952 7.497 10 30 FKEERN CCCCCCCCCCCn1c(CNC(=O)CC)nc2ccccc21 ZINC000102215730 222292292 /nfs/dbraw/zinc/29/22/92/222292292.db2.gz BPPGFAAEOLWRSV-UHFFFAOYSA-N 0 0 357.542 5.593 10 30 FKEERN CCCCCCCCCCCCn1c(CNC(=O)CC)nc2ccccc21 ZINC000102215734 222292738 /nfs/dbraw/zinc/29/27/38/222292738.db2.gz ANMVDTZIKNPOEF-UHFFFAOYSA-N 0 0 371.569 5.983 10 30 FKEERN CCCCCCCCCCn1c(CNC(=O)C(C)C)nc2ccccc21 ZINC000102215975 222292582 /nfs/dbraw/zinc/29/25/82/222292582.db2.gz YNAVIJMJGDTLMK-UHFFFAOYSA-N 0 0 357.542 5.449 10 30 FKEERN CCCCCCCCn1c(CNC(=O)C(CC)CC)nc2ccccc21 ZINC000102216174 222291832 /nfs/dbraw/zinc/29/18/32/222291832.db2.gz ZBZKORBDHSEKCN-UHFFFAOYSA-N 0 0 357.542 5.449 10 30 FKEERN CCCCCCCCCn1c(CNC(=O)C(CC)CC)nc2ccccc21 ZINC000102216176 209233061 /nfs/dbraw/zinc/23/30/61/209233061.db2.gz UEXLFDDEEMULGE-UHFFFAOYSA-N 0 0 371.569 5.839 10 30 FKEERN CCCCCCCn1c(CNC(=O)c2ccccc2C)nc2ccccc21 ZINC000102216849 222292422 /nfs/dbraw/zinc/29/24/22/222292422.db2.gz FSNCAXYXBKDMFN-UHFFFAOYSA-N 0 0 363.505 5.245 10 30 FKEERN CCCCCCCn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21 ZINC000102217413 209233104 /nfs/dbraw/zinc/23/31/04/209233104.db2.gz UINNENPYKBIDNI-UHFFFAOYSA-N 0 0 363.505 5.245 10 30 FKEERN CCCCCCCn1c(CNC(=O)c2cccc(C)c2)nc2ccccc21 ZINC000102217674 222292367 /nfs/dbraw/zinc/29/23/67/222292367.db2.gz DDNLDCGCQBFGMK-UHFFFAOYSA-N 0 0 363.505 5.245 10 30 FKEERN CCCCCCCn1c(CNC(=O)c2ccc(F)cc2)nc2ccccc21 ZINC000102220312 222292537 /nfs/dbraw/zinc/29/25/37/222292537.db2.gz GXMOYJALIPEPBD-UHFFFAOYSA-N 0 0 367.468 5.076 10 30 FKEERN O=C1c2cccc3c2c(ccc3Br)C1=C1Cc2ccccc2N1 ZINC000102605638 570834146 /nfs/dbraw/zinc/83/41/46/570834146.db2.gz MKNIBFRIBDGNRK-HTXNQAPBSA-N 0 0 362.226 5.178 10 30 FKEERN CCCCCCCNc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 ZINC000102627202 570835000 /nfs/dbraw/zinc/83/50/00/570835000.db2.gz KAQVJYLXSVBZNF-UHFFFAOYSA-N 0 0 374.484 5.132 10 30 FKEERN O=[N+]([O-])c1cccc(/C=N\c2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 ZINC000102777814 570516918 /nfs/dbraw/zinc/51/69/18/570516918.db2.gz XPJVNFMTLKGNIW-HMAPJEAMSA-N 0 0 370.368 5.062 10 30 FKEERN Cc1[nH]c2ccc(NC(=CC(=O)c3ccccc3)c3ccccc3)cc2c1C ZINC000102882605 525428907 /nfs/dbraw/zinc/42/89/07/525428907.db2.gz TWQYFEKZMSEETE-LFVJCYFKSA-N 0 0 366.464 6.121 10 30 FKEERN CCCCCCCCOc1ccc(C=NNc2ccc(C)c(Cl)c2)cc1 ZINC000103012269 520043271 /nfs/dbraw/zinc/04/32/71/520043271.db2.gz CJUONCQOICJQTQ-JJIBRWJFSA-N 0 0 372.940 6.834 10 30 FKEERN Fc1c(F)c(F)c(/N=N\c2c(F)c(F)c(F)c(F)c2F)c(F)c1F ZINC000103282243 222331393 /nfs/dbraw/zinc/33/13/93/222331393.db2.gz JLMLUOQMPDZUFW-VHXPQNKSSA-N 0 0 362.126 5.493 10 30 FKEERN CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103525192 222337843 /nfs/dbraw/zinc/33/78/43/222337843.db2.gz INWWPBCQHLHWRD-UHFFFAOYSA-N 0 0 362.129 5.525 10 30 FKEERN CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103525384 222338343 /nfs/dbraw/zinc/33/83/43/222338343.db2.gz JNSNOMBEZFGTQM-UHFFFAOYSA-N 0 0 354.203 6.060 10 30 FKEERN CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103525448 222338055 /nfs/dbraw/zinc/33/80/55/222338055.db2.gz QLHPCXQRDNZMNR-UHFFFAOYSA-N 0 0 368.230 6.450 10 30 FKEERN CCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F ZINC000103525939 222338847 /nfs/dbraw/zinc/33/88/47/222338847.db2.gz XRPRVOFBSVJYLG-UHFFFAOYSA-N 0 0 352.378 7.520 10 30 FKEERN CCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)F ZINC000103525970 222338503 /nfs/dbraw/zinc/33/85/03/222338503.db2.gz PPIFROJKYRXSEA-UHFFFAOYSA-N 0 0 366.405 7.911 10 30 FKEERN CCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)F ZINC000103526160 205994237 /nfs/dbraw/zinc/99/42/37/205994237.db2.gz JJWZNPPHCXYXGZ-UHFFFAOYSA-N 0 0 358.479 8.446 10 30 FKEERN CCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)F ZINC000103526198 222338860 /nfs/dbraw/zinc/33/88/60/222338860.db2.gz CSQJVKDDAPNLED-UHFFFAOYSA-N 0 0 372.506 8.836 10 30 FKEERN CCCCCCCCCCCCCCCCCCCCC(F)(F)F ZINC000103526278 209254117 /nfs/dbraw/zinc/25/41/17/209254117.db2.gz HHIBANXVYZCRAG-UHFFFAOYSA-N 0 0 350.553 8.981 10 30 FKEERN CCCCCCCCCCCCCCCCCCCCCC(F)(F)F ZINC000103526311 222338267 /nfs/dbraw/zinc/33/82/67/222338267.db2.gz OCDFNZASACUUJA-UHFFFAOYSA-N 0 0 364.580 9.371 10 30 FKEERN FC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103526415 222337860 /nfs/dbraw/zinc/33/78/60/222337860.db2.gz CNYBSNUPKFWYHL-UHFFFAOYSA-N 0 0 366.092 5.432 10 30 FKEERN FC(F)(F)C(F)(F)C(F)(F)CCC(F)(F)C(F)(F)C(F)(F)F ZINC000103526449 222338474 /nfs/dbraw/zinc/33/84/74/222338474.db2.gz XUTVDVSIZZRSSN-UHFFFAOYSA-N 0 0 366.092 5.432 10 30 FKEERN CCCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)F ZINC000103530056 222337879 /nfs/dbraw/zinc/33/78/79/222337879.db2.gz SJOYXRJDEYROJC-WUKNDPDISA-N 0 0 356.463 8.222 10 30 FKEERN CC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103530218 209253723 /nfs/dbraw/zinc/25/37/23/209253723.db2.gz OJISKQKRAYLYPP-ONEGZZNKSA-N 0 0 374.140 5.691 10 30 FKEERN CCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103530418 222338002 /nfs/dbraw/zinc/33/80/02/222338002.db2.gz GPYWTIGTMLSTRJ-VOTSOKGWSA-N 0 0 366.214 6.226 10 30 FKEERN CCCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F ZINC000103530830 209253760 /nfs/dbraw/zinc/25/37/60/209253760.db2.gz QHUVKEVOWSCJPA-OUKQBFOZSA-N 0 0 350.362 7.296 10 30 FKEERN CCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)F ZINC000103530901 209253676 /nfs/dbraw/zinc/25/36/76/209253676.db2.gz ZWSMKHOUNJKBLI-BUHFOSPRSA-N 0 0 364.389 7.687 10 30 FKEERN CCCCCCCCCCCCCCCC/C=C/C(F)(F)C(F)(F)F ZINC000103530992 222338569 /nfs/dbraw/zinc/33/85/69/222338569.db2.gz KEHQDHAUFSPWBZ-ISLYRVAYSA-N 0 0 370.490 8.612 10 30 FKEERN CCCCCCCCCCCCCCCCCCC/C=C/C(F)(F)F ZINC000103531174 222338562 /nfs/dbraw/zinc/33/85/62/222338562.db2.gz JPOHSWXCLLLKFI-QZQOTICOSA-N 0 0 362.564 9.147 10 30 FKEERN FC(F)(F)/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103531350 209253509 /nfs/dbraw/zinc/25/35/09/209253509.db2.gz JYJDYPJOQLXHAY-OWOJBTEDSA-N 0 0 364.076 5.208 10 30 FKEERN FC(F)(F)C(F)(F)/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103531431 222338439 /nfs/dbraw/zinc/33/84/39/222338439.db2.gz YJSIBKOUPOTQEG-OWOJBTEDSA-N 0 0 364.076 5.208 10 30 FKEERN CCCCCCCCCCCCSCC(=O)Nc1nnc(CC)s1 ZINC000103535379 520013059 /nfs/dbraw/zinc/01/30/59/520013059.db2.gz OUVGJRGVLMXJBE-UHFFFAOYSA-N 0 0 371.616 5.693 10 30 FKEERN CCCCO[C@@H](C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103539360 209254131 /nfs/dbraw/zinc/25/41/31/209254131.db2.gz JVUFBBZUSNWYRE-MRVPVSSYSA-N 0 0 364.248 5.024 10 30 FKEERN CCCCO[C@H](C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103539371 209253898 /nfs/dbraw/zinc/25/38/98/209253898.db2.gz JVUFBBZUSNWYRE-QMMMGPOBSA-N 0 0 364.248 5.024 10 30 FKEERN CCCCCCCCCCCCCCCCOc1ccc(C(C)(C)C)cc1 ZINC000103558325 520001100 /nfs/dbraw/zinc/00/11/00/520001100.db2.gz XZZZARKMTXDNBT-UHFFFAOYSA-N 0 0 374.653 8.844 10 30 FKEERN CCCCCCCCCCCCCCCC(=O)N(O)[C@@H](C)/C(C)=N/O ZINC000103558404 209254756 /nfs/dbraw/zinc/25/47/56/209254756.db2.gz YLGARYBQOZKINR-PMIVHWTLSA-N 0 0 356.551 5.924 10 30 FKEERN CCCCCCCCCCCCCCCC(=O)N(O)[C@H](C)/C(C)=N/O ZINC000103558411 222338257 /nfs/dbraw/zinc/33/82/57/222338257.db2.gz YLGARYBQOZKINR-AZZGVMCLSA-N 0 0 356.551 5.924 10 30 FKEERN FC(F)(F)CNc1ccc(OCCCC(F)(F)C(F)(F)F)cc1 ZINC000103597976 222339824 /nfs/dbraw/zinc/33/98/24/222339824.db2.gz QYXDXKDBWNDNOU-UHFFFAOYSA-N 0 0 351.237 5.017 10 30 FKEERN CCCCCCCCCCCCCc1nc(N)nc(-c2ccccc2)n1 ZINC000103600273 222339719 /nfs/dbraw/zinc/33/97/19/222339719.db2.gz UHMZWXDJAGRNDP-UHFFFAOYSA-N 0 0 354.542 5.974 10 30 FKEERN CC[C@]1(C)C[C@@](CC/N=C/c2ccccc2O)(c2ccc(F)cc2)CCO1 ZINC000103617178 222339783 /nfs/dbraw/zinc/33/97/83/222339783.db2.gz TYKGSDXLJOYBRK-WKYWJJLXSA-N 0 0 369.480 5.257 10 30 FKEERN CC[C@@]1(C)C[C@@](CC/N=C/c2ccccc2O)(c2ccc(F)cc2)CCO1 ZINC000103617181 209254963 /nfs/dbraw/zinc/25/49/63/209254963.db2.gz TYKGSDXLJOYBRK-LSQILKJHSA-N 0 0 369.480 5.257 10 30 FKEERN CCCCCCCCCCC[C@@H]1C[C@@H](O)[C@H](CCCCCC)C(=O)O1 ZINC000103621771 520017752 /nfs/dbraw/zinc/01/77/52/520017752.db2.gz LRXRIVSWHMVULO-QHAWAJNXSA-N 0 0 354.575 6.170 10 30 FKEERN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSCc1ccccc1 ZINC000103623608 571072219 /nfs/dbraw/zinc/07/22/19/571072219.db2.gz CPCRIMGVZZVFTH-UHFFFAOYSA-N 0 0 370.280 5.778 10 30 FKEERN CCN1c2ccccc2S/C1=C/C=C1/SC(c2ccccc2)=CC1=O ZINC000103626685 205995711 /nfs/dbraw/zinc/99/57/11/205995711.db2.gz RSDYXUSQUONSQV-JIDNDCLASA-N 0 0 363.507 5.701 10 30 FKEERN CCCCN1C(=O)C(=CNc2ccccc2)S/C1=N/c1ccccc1 ZINC000103627882 570519062 /nfs/dbraw/zinc/51/90/62/570519062.db2.gz DMZAIWJYMWPMGV-GIUFQOGJSA-N 0 0 351.475 5.003 10 30 FKEERN CCCCCCCCCCCCCCC[C@H](O)[C@@H](CO)NC(=O)CCC ZINC000103674897 222341150 /nfs/dbraw/zinc/34/11/50/222341150.db2.gz OQNWHOCKDMLTSP-RTWAWAEBSA-N 0 0 371.606 5.106 10 30 FKEERN CCCCCCCCCCCCCCC[C@H](O)[C@H](CO)NC(=O)CCC ZINC000103674903 222340782 /nfs/dbraw/zinc/34/07/82/222340782.db2.gz OQNWHOCKDMLTSP-SFTDATJTSA-N 0 0 371.606 5.106 10 30 FKEERN CCCCCCCCCO[C@@]1(C#N)C=CC(/N=C\c2ccccc2)=CC1 ZINC000103733113 222341928 /nfs/dbraw/zinc/34/19/28/222341928.db2.gz ZRHBLMXVYRJGOD-CZSUQGFZSA-N 0 0 350.506 5.979 10 30 FKEERN CCCCCCCCCO[C@@]1(C#N)C=CC(/N=C/c2ccccc2)=CC1 ZINC000103733116 209255622 /nfs/dbraw/zinc/25/56/22/209255622.db2.gz ZRHBLMXVYRJGOD-PNCDLBDQSA-N 0 0 350.506 5.979 10 30 FKEERN CCCCCCCCCO[C@]1(C#N)C=CC(/N=C\c2ccccc2)=CC1 ZINC000103733120 222341954 /nfs/dbraw/zinc/34/19/54/222341954.db2.gz ZRHBLMXVYRJGOD-VPQXQWKXSA-N 0 0 350.506 5.979 10 30 FKEERN CCCCCCCCCO[C@]1(C#N)C=CC(/N=C/c2ccccc2)=CC1 ZINC000103733125 209255200 /nfs/dbraw/zinc/25/52/00/209255200.db2.gz ZRHBLMXVYRJGOD-ABRDEJFMSA-N 0 0 350.506 5.979 10 30 FKEERN CCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C ZINC000103822014 222343931 /nfs/dbraw/zinc/34/39/31/222343931.db2.gz GFVYDNHWTCHDSN-UHFFFAOYSA-N 0 0 368.646 8.227 10 30 FKEERN CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)OCC(C)C ZINC000103822518 222344471 /nfs/dbraw/zinc/34/44/71/222344471.db2.gz RLZMLCOLHSMIMU-RTWAWAEBSA-N 0 0 354.575 6.434 10 30 FKEERN CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(=O)OCC(C)C ZINC000103822526 222343309 /nfs/dbraw/zinc/34/33/09/222343309.db2.gz RLZMLCOLHSMIMU-NHCUHLMSSA-N 0 0 354.575 6.434 10 30 FKEERN CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)OCC(C)C ZINC000103822533 222344354 /nfs/dbraw/zinc/34/43/54/222344354.db2.gz RLZMLCOLHSMIMU-LEWJYISDSA-N 0 0 354.575 6.434 10 30 FKEERN CCCCCCCCOC(=O)[C@H](CCCCCC)CCCCCCCC ZINC000103823187 209256338 /nfs/dbraw/zinc/25/63/38/209256338.db2.gz BMEOCUNQVBHWRZ-HSZRJFAPSA-N 0 0 368.646 8.227 10 30 FKEERN CCCCCCCCOC(=O)[C@@H](CCCCCC)CCCCCCCC ZINC000103823190 222344078 /nfs/dbraw/zinc/34/40/78/222344078.db2.gz BMEOCUNQVBHWRZ-QHCPKHFHSA-N 0 0 368.646 8.227 10 30 FKEERN CCCCCCCCCCCCCCOC(=O)CCCCCC(C)C ZINC000103832570 222344102 /nfs/dbraw/zinc/34/41/02/222344102.db2.gz YALQPLPKVALUTE-UHFFFAOYSA-N 0 0 354.619 7.837 10 30 FKEERN C=CC(=O)NCCCCCCCCCCCCCCCCCCCC ZINC000103844354 222343602 /nfs/dbraw/zinc/34/36/02/222343602.db2.gz CJKAINXGZTZFDV-UHFFFAOYSA-N 0 0 351.619 7.330 10 30 FKEERN O=C(Nc1ccccc1)c1c(/N=C/c2ccco2)sc2c1CCCC2 ZINC000103861427 222345185 /nfs/dbraw/zinc/34/51/85/222345185.db2.gz BATSLUBIDMWZSJ-FYJGNVAPSA-N 0 0 350.443 5.223 10 30 FKEERN C=C(Br)COc1c(Cl)cc(Cl)cc1C[NH2+]CC(C)C ZINC000103978227 206236703 /nfs/dbraw/zinc/23/67/03/206236703.db2.gz LBSMZHVXIUYJJD-UHFFFAOYSA-N 0 0 367.114 5.026 10 30 FKEERN Clc1cc(Br)cc(Cl)c1NCC#Cc1ccccc1 ZINC000104005821 206236074 /nfs/dbraw/zinc/23/60/74/206236074.db2.gz JGMWODTVRQOAFG-UHFFFAOYSA-N 0 0 355.062 5.220 10 30 FKEERN CCCCCCC[C@H](O)c1cc(Br)ccc1Br ZINC000104033150 222348714 /nfs/dbraw/zinc/34/87/14/222348714.db2.gz RMGHJWPSWWDMCV-AWEZNQCLSA-N 0 0 364.121 5.606 10 30 FKEERN CCCCCCC[C@@H](O)c1cc(Br)ccc1Br ZINC000104033158 222348399 /nfs/dbraw/zinc/34/83/99/222348399.db2.gz RMGHJWPSWWDMCV-CQSZACIVSA-N 0 0 364.121 5.606 10 30 FKEERN COc1ccc(OC)c(NC=CC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000104732905 524842863 /nfs/dbraw/zinc/84/28/63/524842863.db2.gz QCGACNRYGZQUNQ-PFONDFGASA-N 0 0 359.425 5.179 10 30 FKEERN CC1=CC(C)(C)N2C(=O)/C(=N\c3cccc(C(F)(F)F)c3)c3cccc1c32 ZINC000104860201 209262367 /nfs/dbraw/zinc/26/23/67/209262367.db2.gz JEZQOTOCIMVZKD-UQQQWYQISA-N 0 0 370.374 5.368 10 30 FKEERN CCCCCCCCCCCCCCCCC/C(=N\O)c1ccccc1 ZINC000105011705 519990302 /nfs/dbraw/zinc/99/03/02/519990302.db2.gz XPKVELNJNRMLPK-OCOZRVBESA-N 0 0 359.598 8.126 10 30 FKEERN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(C)c(C)c1 ZINC000105271924 222366415 /nfs/dbraw/zinc/36/64/15/222366415.db2.gz BGFMNXFIFXNRIU-DAFNUICNSA-N 0 0 374.484 5.365 10 30 FKEERN CCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO ZINC000106401470 519991074 /nfs/dbraw/zinc/99/10/74/519991074.db2.gz RZCXLAVLGNSKPI-UHFFFAOYSA-N 0 0 358.563 5.002 10 30 FKEERN CCCCCCCCCCCCCCCCP(=O)(OCC)OCC ZINC000106466058 520001359 /nfs/dbraw/zinc/00/13/59/520001359.db2.gz IWLRAOHXLXABQX-UHFFFAOYSA-N 0 0 362.535 7.734 10 30 FKEERN C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@H]1C=CC2=O ZINC000106697649 222388711 /nfs/dbraw/zinc/38/87/11/222388711.db2.gz UJOCQXHOSBJACO-QENXHYHDSA-N 0 0 358.481 5.467 10 30 FKEERN COc1ccc(C(=O)C=C(CC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000107260458 523549466 /nfs/dbraw/zinc/54/94/66/523549466.db2.gz GQTYUVSKEJIQOH-PGMHBOJBSA-N 0 0 356.421 5.235 10 30 FKEERN CCCCCCCCCCCCNC(=O)CCCCCCCCCCC ZINC000108758379 222429390 /nfs/dbraw/zinc/42/93/90/222429390.db2.gz GKCGAKGJCYKIIS-UHFFFAOYSA-N 0 0 367.662 7.944 10 30 FKEERN CCCCCCCC/C=C/CCCCCCCC1=N[C@@](C)(CO)CO1 ZINC000111385080 519969319 /nfs/dbraw/zinc/96/93/19/519969319.db2.gz HCIRJRYSFLWMMS-NEQMZLFVSA-N 0 0 351.575 6.204 10 30 FKEERN CCCCCCCC/C=C/CCCCCCCC1=N[C@](C)(CO)CO1 ZINC000111385085 519967897 /nfs/dbraw/zinc/96/78/97/519967897.db2.gz HCIRJRYSFLWMMS-NELJVSICSA-N 0 0 351.575 6.204 10 30 FKEERN CCCCCCCC/C=C\CCCCCCCC[N+](C)(C)CC(=O)[O-] ZINC000111403534 717148270 /nfs/dbraw/zinc/14/82/70/717148270.db2.gz AMRBZKOCOOPYNY-QXMHVHEDSA-O 0 0 354.599 6.185 10 30 FKEERN CCCCCCCC/C=C\CCCCCCCCOC(=O)CC(C)C ZINC000111405708 209332349 /nfs/dbraw/zinc/33/23/49/209332349.db2.gz LOCNAPVACGRDIV-QXMHVHEDSA-N 0 0 352.603 7.613 10 30 FKEERN CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-] ZINC000111407298 717148027 /nfs/dbraw/zinc/14/80/27/717148027.db2.gz PBWFDNJGWNCAPS-UHFFFAOYSA-N 0 0 356.595 5.548 10 30 FKEERN CCCCCCCCCCCCCC(=O)OCCCCCCCCCC ZINC000111487354 206084128 /nfs/dbraw/zinc/08/41/28/206084128.db2.gz BOUIEBMBWBCUPB-UHFFFAOYSA-N 0 0 368.646 8.371 10 30 FKEERN CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)[O-] ZINC000111868174 222493073 /nfs/dbraw/zinc/49/30/73/222493073.db2.gz GORUZQZCUPHPAX-UHFFFAOYSA-N 0 0 369.678 8.383 10 30 FKEERN CCCCCCCCCCCCCCCCCCCC(=O)OC(C)C ZINC000111868314 206086632 /nfs/dbraw/zinc/08/66/32/206086632.db2.gz WLMTYYBAGSMBPQ-UHFFFAOYSA-N 0 0 354.619 7.980 10 30 FKEERN C=CC(=O)OC[C@@H](C)CCCCCCCCCCCCCCCCC ZINC000111900192 209334007 /nfs/dbraw/zinc/33/40/07/209334007.db2.gz FCAXOVLLASPKFQ-QFIPXVFZSA-N 0 0 352.603 7.613 10 30 FKEERN CCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccc(C)cc1 ZINC000111905475 519969412 /nfs/dbraw/zinc/96/94/12/519969412.db2.gz JSQIOYSODBIFTK-KHPPLWFESA-N 0 0 371.609 7.971 10 30 FKEERN CCCCCCCC/C=C/CCCCCCCC(=O)Nc1ccc(C)cc1 ZINC000111905479 519967946 /nfs/dbraw/zinc/96/79/46/519967946.db2.gz JSQIOYSODBIFTK-ZHACJKMWSA-N 0 0 371.609 7.971 10 30 FKEERN CCCCCCCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000112191168 570955657 /nfs/dbraw/zinc/95/56/57/570955657.db2.gz GRIRTABRGWAZLM-UHFFFAOYSA-N 0 0 372.745 5.286 10 30 FKEERN CCCCCCCCCCCCCCCCCC[N+]([O-])(CCO)CCO ZINC000113041621 717148954 /nfs/dbraw/zinc/14/89/54/717148954.db2.gz CBLJNXZOFGRDAC-UHFFFAOYSA-N 0 0 373.622 5.547 10 30 FKEERN CCCCCCCCOCOc1ccc2nc3ccc(=O)cc-3oc2c1 ZINC000115244794 571107655 /nfs/dbraw/zinc/10/76/55/571107655.db2.gz CASMHOWZGVZVPK-UHFFFAOYSA-N 0 0 355.434 5.006 10 30 FKEERN C=C1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@H](OC(=O)OCC)[C@@]3(C)CC[C@@H]12 ZINC000118912696 206103432 /nfs/dbraw/zinc/10/34/32/206103432.db2.gz NZFZLRHKJCFBJO-YSLAQXADSA-N 0 0 372.505 5.226 10 30 FKEERN C=C1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@H](OC(=O)OCC)[C@@]3(C)CC[C@@H]12 ZINC000118912697 570559608 /nfs/dbraw/zinc/55/96/08/570559608.db2.gz NZFZLRHKJCFBJO-KKPVMHFXSA-N 0 0 372.505 5.226 10 30 FKEERN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC=C(/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914519 570559652 /nfs/dbraw/zinc/55/96/52/570559652.db2.gz RXZQACCASWKYSX-LCWSETSMSA-N 0 0 373.537 5.347 10 30 FKEERN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC=C(/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914521 206103159 /nfs/dbraw/zinc/10/31/59/206103159.db2.gz RXZQACCASWKYSX-ZBVXMKNVSA-N 0 0 373.537 5.347 10 30 FKEERN CCCCCCCCCCCCCCCC[N+](C)(C)CS(=O)(=O)[O-] ZINC000137503213 717151365 /nfs/dbraw/zinc/15/13/65/717151365.db2.gz MERYHQJJYUEDCK-UHFFFAOYSA-O 0 0 364.616 5.389 10 30 FKEERN CCCCCCCCCCCCCCCCCCNCC(F)(F)F ZINC000138279587 206134080 /nfs/dbraw/zinc/13/40/80/206134080.db2.gz SLORPZXQLWUEST-UHFFFAOYSA-N 0 0 351.541 7.400 10 30 FKEERN CCCCCCCCCCC[C@@H]1C[C@@H](O)[C@@H](CCCCCC)C(=O)O1 ZINC000142988743 520016896 /nfs/dbraw/zinc/01/68/96/520016896.db2.gz LRXRIVSWHMVULO-NJDAHSKKSA-N 0 0 354.575 6.170 10 30 FKEERN CCCCCCCCCCC[C@@H]1C[C@H](O)[C@@H](CCCCCC)C(=O)O1 ZINC000142988932 520016923 /nfs/dbraw/zinc/01/69/23/520016923.db2.gz LRXRIVSWHMVULO-NJYVYQBISA-N 0 0 354.575 6.170 10 30 FKEERN FC(F)(F)C(F)(F)CCCCCCCCC(F)(F)C(F)(F)F ZINC000169795139 206268554 /nfs/dbraw/zinc/26/85/54/206268554.db2.gz XJFLRQRBRRWABG-UHFFFAOYSA-N 0 0 350.240 6.502 10 30 FKEERN FC(F)(F)C(F)(F)CCCCCCCCCC(F)(F)C(F)(F)F ZINC000169795147 209538970 /nfs/dbraw/zinc/53/89/70/209538970.db2.gz WETLBESZCVTQOO-UHFFFAOYSA-N 0 0 364.267 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