smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1nc(Cl)cc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000082509601 185189259 /nfs/dbraw/zinc/18/92/59/185189259.db2.gz ZSSWNAQMVJZXPM-UHFFFAOYSA-N 0 0 305.853 4.634 10 0 DJAERN Cc1cc(C)c(C(=O)Cc2ccccc2)c(C)c1Br ZINC000083185838 185217223 /nfs/dbraw/zinc/21/72/23/185217223.db2.gz GEPHNRLAAQIGGA-UHFFFAOYSA-N 0 0 317.226 4.800 10 0 DJAERN Cc1cc(C)c(OCc2ccc(Br)cc2)c(C)c1 ZINC000070133630 190861048 /nfs/dbraw/zinc/86/10/48/190861048.db2.gz VYOAELVOOWCLIP-UHFFFAOYSA-N 0 0 305.215 4.953 10 0 DJAERN Cc1c(Cl)nnc(Oc2ccc(Cl)c(Cl)c2)c1C ZINC000071170857 190937114 /nfs/dbraw/zinc/93/71/14/190937114.db2.gz JMHQHKFZRPZRGF-UHFFFAOYSA-N 0 0 303.576 4.846 10 0 DJAERN FC(F)(F)c1ccc(-c2ncsc2Br)cc1 ZINC000072192152 191072977 /nfs/dbraw/zinc/07/29/77/191072977.db2.gz HAGVPMXHVICQEI-UHFFFAOYSA-N 0 0 308.122 4.591 10 0 DJAERN FC(F)(F)c1ccc(-c2ccc(Br)cn2)cc1 ZINC000072191851 191073838 /nfs/dbraw/zinc/07/38/38/191073838.db2.gz KPGAZIFSEDOLTR-UHFFFAOYSA-N 0 0 302.093 4.530 10 0 DJAERN Brc1cc(Br)nc(C2CCCCC2)c1 ZINC000072193442 191073918 /nfs/dbraw/zinc/07/39/18/191073918.db2.gz WHOGOXOAPUKYDB-UHFFFAOYSA-N 0 0 319.040 4.654 10 0 DJAERN Cc1cc2c(nc(-c3cccnc3)nc2NC2CCCCC2)s1 ZINC000072260802 191088923 /nfs/dbraw/zinc/08/89/23/191088923.db2.gz PBIGDOZHBPOFFL-UHFFFAOYSA-N 0 0 324.453 4.806 10 0 DJAERN Cc1ccc(C(=O)N2c3ccc(O)cc3C(C)=CC2(C)C)cc1 ZINC000072441663 191166980 /nfs/dbraw/zinc/16/69/80/191166980.db2.gz JFTBPUNQUHAHQW-UHFFFAOYSA-N 0 0 307.393 4.543 10 0 DJAERN Cc1ccc(Cl)cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000000514073 180810563 /nfs/dbraw/zinc/81/05/63/180810563.db2.gz JNGURAYSECJVIJ-UHFFFAOYSA-N 0 0 303.789 4.688 10 0 DJAERN COc1cc(/C=C\c2ccc(SC)cc2)cc(OC)c1OC ZINC000001632294 180881459 /nfs/dbraw/zinc/88/14/59/180881459.db2.gz MBPCWAWSQVINQF-WAYWQWQTSA-N 0 0 316.422 4.605 10 0 DJAERN Cc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3s2)cc1 ZINC000003503903 181026805 /nfs/dbraw/zinc/02/68/05/181026805.db2.gz XTAQTUKTISVJNM-GFCCVEGCSA-N 0 0 313.447 4.968 10 0 DJAERN Clc1cccc(Nc2ncnc3c4cccnc4sc32)c1 ZINC000003815382 181047189 /nfs/dbraw/zinc/04/71/89/181047189.db2.gz LRYUYVGCKNONRJ-UHFFFAOYSA-N 0 0 312.785 4.637 10 0 DJAERN Oc1ccc(-c2[nH]c3ccccc3c2-c2ccc(O)cc2)cc1 ZINC000003638330 181043109 /nfs/dbraw/zinc/04/31/09/181043109.db2.gz MGOARPQWMKCCSF-UHFFFAOYSA-N 0 0 301.345 4.913 10 0 in-vivo DJAERN CCn1c(C(=O)NC2CCC(C)CC2)cc2oc3ccccc3c21 ZINC000005149914 181210183 /nfs/dbraw/zinc/21/01/83/181210183.db2.gz FYYCCUHFECRBCT-UHFFFAOYSA-N 0 0 324.424 4.716 10 0 DJAERN CCCCC(CCCC)(c1cccnc1)n1nnc2ccccc21 ZINC000005308306 181228384 /nfs/dbraw/zinc/22/83/84/181228384.db2.gz WGSCEUIFDNYPES-UHFFFAOYSA-N 0 0 322.456 4.950 10 0 DJAERN CCCC[C@@H](c1cc2ccccc2[nH]1)n1nnc2ccccc21 ZINC000005309734 181228549 /nfs/dbraw/zinc/22/85/49/181228549.db2.gz MWSVKBXQUQEDJZ-IBGZPJMESA-N 0 0 304.397 4.692 10 0 DJAERN CC[C@H](C)C(NC(=O)C(C)C)(c1ccccc1)c1ccccc1 ZINC000005337334 181231059 /nfs/dbraw/zinc/23/10/59/181231059.db2.gz BBLBUNLWMVHVOF-KRWDZBQOSA-N 0 0 309.453 4.749 10 0 DJAERN CCCCCCOC(=O)c1ccc(NC(=O)OCCCC)cc1 ZINC000005525065 181253392 /nfs/dbraw/zinc/25/33/92/181253392.db2.gz BDYJGGNSMSFLGM-UHFFFAOYSA-N 0 0 321.417 4.772 10 0 DJAERN CC[C@H](C)c1ccccc1NC(=O)/C=C/c1cccc(OC)c1 ZINC000005509998 181251385 /nfs/dbraw/zinc/25/13/85/181251385.db2.gz QYWISNRINWTLHO-LHNRBYRGSA-N 0 0 309.409 4.861 10 0 DJAERN Cc1ccc(OCc2ccc(C(N)=S)cc2)c(C(C)(C)C)c1 ZINC000005592568 181261759 /nfs/dbraw/zinc/26/17/59/181261759.db2.gz SQESFBRXGRCVBW-UHFFFAOYSA-N 0 0 313.466 4.506 10 0 DJAERN Cc1ccc(C(C)(C)C)c(OCc2ccc(C(N)=S)cc2)c1 ZINC000005592567 181261843 /nfs/dbraw/zinc/26/18/43/181261843.db2.gz WSYDTDOTRFEJJS-UHFFFAOYSA-N 0 0 313.466 4.506 10 0 DJAERN C[C@@H]1C[C@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)C(=O)O1 ZINC000005706462 181274733 /nfs/dbraw/zinc/27/47/33/181274733.db2.gz QSAFSJAOPPHPTK-CSMYWGQOSA-N 0 0 300.785 4.543 10 0 in-man DJAERN COc1cc(/C=C/c2ccccc2)ccc1OC(=O)C(C)(C)C ZINC000005726588 181276753 /nfs/dbraw/zinc/27/67/53/181276753.db2.gz WPMFLHKYTBZVDV-ZHACJKMWSA-N 0 0 310.393 4.817 10 0 DJAERN Cc1cc2ncn(C(=O)c3ccc(Cl)cc3Cl)c2cc1C ZINC000005926842 181297467 /nfs/dbraw/zinc/29/74/67/181297467.db2.gz RIBBYNVGNFMBSG-UHFFFAOYSA-N 0 0 319.191 4.648 10 0 DJAERN CC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000006118703 181313820 /nfs/dbraw/zinc/31/38/20/181313820.db2.gz AGWNJFLXKMTPDD-RCQQVGEISA-N 0 0 312.240 4.798 10 0 DJAERN O=C(Oc1ccccc1)c1c(Cl)ccc(Cl)c1Cl ZINC000006241344 181322120 /nfs/dbraw/zinc/32/21/20/181322120.db2.gz CBXLXMCMECLREQ-UHFFFAOYSA-N 0 0 301.556 4.866 10 0 DJAERN c1coc(-c2nnc(-c3ccc4ccccc4c3)c3nocc32)c1 ZINC000006244335 181322348 /nfs/dbraw/zinc/32/23/48/181322348.db2.gz PNWFPXSMXAXOJV-UHFFFAOYSA-N 0 0 313.316 4.698 10 0 DJAERN C[C@@H]1C[C@@H](C)CN(C(=O)/C=C/c2ccc(Cl)cc2Cl)C1 ZINC000006250739 181322521 /nfs/dbraw/zinc/32/25/21/181322521.db2.gz ZKZMYBFVDNNPOF-WBIIUDBISA-N 0 0 312.240 4.511 10 0 DJAERN CCOc1ccc(/C=C/c2coc3ccc(C)cc3c2=O)cc1 ZINC000090472373 192923137 /nfs/dbraw/zinc/92/31/37/192923137.db2.gz KINDWWSKGDYHOH-VMPITWQZSA-N 0 0 306.361 4.671 10 0 DJAERN Cc1cc(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)ccc1Br ZINC000006377434 181335958 /nfs/dbraw/zinc/33/59/58/181335958.db2.gz PNUAKYKPHLJLAF-YNEHKIRRSA-N 0 0 322.246 4.522 10 0 DJAERN Cc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)n1 ZINC000006614515 181361255 /nfs/dbraw/zinc/36/12/55/181361255.db2.gz YQRNNVUQPHTKML-UHFFFAOYSA-N 0 0 312.756 4.556 10 0 DJAERN CC[C@H](C)Nc1nc(-c2ccco2)nc2cc(Cl)ccc21 ZINC000006775058 181386907 /nfs/dbraw/zinc/38/69/07/181386907.db2.gz GIOYOQZNSQDYKM-JTQLQIEISA-N 0 0 301.777 4.754 10 0 DJAERN CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000006782170 181387936 /nfs/dbraw/zinc/38/79/36/181387936.db2.gz PKZNMVJJZIUWHG-UHFFFAOYSA-N 0 0 302.230 4.527 10 0 DJAERN Cc1csc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)n1 ZINC000006861374 181398352 /nfs/dbraw/zinc/39/83/52/181398352.db2.gz ZXYDPSHYKWEHJJ-UHFFFAOYSA-N 0 0 318.785 4.617 10 0 DJAERN CCOC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccc(C)cc1 ZINC000091691391 193092587 /nfs/dbraw/zinc/09/25/87/193092587.db2.gz CWRBXTWJZIFVAP-UHFFFAOYSA-N 0 0 313.784 4.973 10 0 DJAERN Brc1ccc(NCc2ccc3ccccc3n2)cc1 ZINC000007115764 181440189 /nfs/dbraw/zinc/44/01/89/181440189.db2.gz ARTVJAPCLYTEHS-UHFFFAOYSA-N 0 0 313.198 4.609 10 0 DJAERN Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)c1 ZINC000008108787 181526746 /nfs/dbraw/zinc/52/67/46/181526746.db2.gz ZZXCGMKOOSHMGV-MRXNPFEDSA-N 0 0 311.425 4.833 10 0 DJAERN Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000009695579 181636330 /nfs/dbraw/zinc/63/63/30/181636330.db2.gz YNKYAXCWMZQTJU-MRXNPFEDSA-N 0 0 311.425 4.833 10 0 DJAERN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000010473526 181671912 /nfs/dbraw/zinc/67/19/12/181671912.db2.gz QVYYUGQGJXPYCG-LBPRGKRZSA-N 0 0 303.789 4.770 10 0 DJAERN Cc1ccc(Cl)cc1Nc1nc(Cl)nc2ccccc21 ZINC000011756384 181703673 /nfs/dbraw/zinc/70/36/73/181703673.db2.gz PMNCRUUQHCMZGQ-UHFFFAOYSA-N 0 0 304.180 4.989 10 0 DJAERN O=C(Oc1ccc(/C=C/c2ccncc2)cc1)c1cccc(F)c1 ZINC000011858487 181711811 /nfs/dbraw/zinc/71/18/11/181711811.db2.gz CCJOHGGWPSITOY-SNAWJCMRSA-N 0 0 319.335 4.610 10 0 DJAERN Cc1ccc(Cl)cc1NC(=S)N1c2ccccc2C[C@@H]1C ZINC000013839031 181906191 /nfs/dbraw/zinc/90/61/91/181906191.db2.gz FRRNQTHNHVDAIN-LBPRGKRZSA-N 0 0 316.857 4.796 10 0 DJAERN C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@]43C(F)F)[C@@H]1CC[C@@H]2O ZINC000013823524 181902703 /nfs/dbraw/zinc/90/27/03/181902703.db2.gz KWKOBGYDJILZHR-JLZSVDHQSA-N 0 0 310.428 4.945 10 0 DJAERN CCc1ccc([C@H](C)NC(=S)Nc2cc(C)ccc2C)cc1 ZINC000013931053 181910697 /nfs/dbraw/zinc/91/06/97/181910697.db2.gz BCZDRVWPPDTLIR-HNNXBMFYSA-N 0 0 312.482 4.913 10 0 DJAERN Cc1ccc(N2C(=N)S/C(=C\C=C\c3ccccc3)C2=O)cc1 ZINC000015053011 181984748 /nfs/dbraw/zinc/98/47/48/181984748.db2.gz ZPWLJLCQWLVCQD-FREHPIBISA-N 0 0 320.417 4.607 10 0 DJAERN COc1cccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000015432224 182001923 /nfs/dbraw/zinc/00/19/23/182001923.db2.gz KNVUWRGZKWPNLD-VMPITWQZSA-N 0 0 322.191 4.654 10 0 DJAERN C[C@H](NC(=O)c1cc(Cl)ccc1F)c1cccc(Cl)c1 ZINC000017908674 182087569 /nfs/dbraw/zinc/08/75/69/182087569.db2.gz CNNPITYSGVZLDY-VIFPVBQESA-N 0 0 312.171 4.624 10 0 DJAERN C[C@H](NCc1ccccc1Cl)c1ccccc1Br ZINC000019908233 182162974 /nfs/dbraw/zinc/16/29/74/182162974.db2.gz PNOAARZJZHCDAY-NSHDSACASA-N 0 0 324.649 4.953 10 0 DJAERN CCOc1ccccc1CNc1ccc(Br)cc1F ZINC000019907945 182163047 /nfs/dbraw/zinc/16/30/47/182163047.db2.gz VTUZCYNDHQECLE-UHFFFAOYSA-N 0 0 324.193 4.599 10 0 DJAERN COc1ccc([C@H](C)Nc2ccc(Br)cc2C)cc1 ZINC000019905612 182163108 /nfs/dbraw/zinc/16/31/08/182163108.db2.gz CZGHRFIDQVXUSL-LBPRGKRZSA-N 0 0 320.230 4.939 10 0 DJAERN C[C@@H](Nc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC000019908000 182163238 /nfs/dbraw/zinc/16/32/38/182163238.db2.gz WTUHSQLXQGFMPY-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN COc1ccc([C@H](C)Nc2ccccc2Br)cc1 ZINC000019922683 182164402 /nfs/dbraw/zinc/16/44/02/182164402.db2.gz PRGVHPUTKJDEAC-NSHDSACASA-N 0 0 306.203 4.631 10 0 DJAERN CC[C@H](Nc1ccc(Br)cc1)c1ccc(O)cc1 ZINC000019923149 182165041 /nfs/dbraw/zinc/16/50/41/182165041.db2.gz HDDQOCUYZNUQOK-HNNXBMFYSA-N 0 0 306.203 4.718 10 0 DJAERN C[C@H](Nc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000019951905 182169173 /nfs/dbraw/zinc/16/91/73/182169173.db2.gz AJAQCHFWNXEGMO-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN Cc1sc2ncnc(Nc3cccc4cccnc43)c2c1C ZINC000019955572 182170400 /nfs/dbraw/zinc/17/04/00/182170400.db2.gz GPCLQVIWFMAZBX-UHFFFAOYSA-N 0 0 306.394 4.600 10 0 DJAERN CC[C@H](Nc1ccc(OC)cc1OC)c1ccc(Cl)cc1 ZINC000019978658 182173051 /nfs/dbraw/zinc/17/30/51/182173051.db2.gz UEKSREDTGZIPNO-HNNXBMFYSA-N 0 0 305.805 4.920 10 0 DJAERN FC(F)(F)Oc1ccc(NCc2ccc(Cl)cc2)cc1 ZINC000019984895 182173486 /nfs/dbraw/zinc/17/34/86/182173486.db2.gz CBDQXQAQNOWTCD-UHFFFAOYSA-N 0 0 301.695 4.851 10 0 DJAERN COc1cc([C@@H](C)Nc2cc(Cl)ccc2Cl)ccc1O ZINC000019996744 182175531 /nfs/dbraw/zinc/17/55/31/182175531.db2.gz PPLQZSQWJABLPJ-SECBINFHSA-N 0 0 312.196 4.881 10 0 DJAERN COc1cc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c(OC)cc1Cl ZINC000020012455 182177633 /nfs/dbraw/zinc/17/76/33/182177633.db2.gz UZSHOHPJELNNJK-VXGBXAGGSA-N 0 0 311.853 4.984 10 0 DJAERN C[C@H](CNc1ccc(Br)cc1F)c1ccccc1 ZINC000020013148 182177756 /nfs/dbraw/zinc/17/77/56/182177756.db2.gz BJOLUBJDWRZHTH-LLVKDONJSA-N 0 0 308.194 4.804 10 0 DJAERN Cc1cc(C)c(CNc2ccccc2Br)c(C)c1 ZINC000020020592 182178719 /nfs/dbraw/zinc/17/87/19/182178719.db2.gz BOOKKLNYNZFDBN-UHFFFAOYSA-N 0 0 304.231 4.986 10 0 DJAERN C[C@H](NCc1ccccc1Br)c1ccccc1Cl ZINC000020124117 182189886 /nfs/dbraw/zinc/18/98/86/182189886.db2.gz DEXIHVJLFTYEHS-NSHDSACASA-N 0 0 324.649 4.953 10 0 DJAERN Cc1ccc2oc([C@@H](N)c3ccc(Br)cc3)cc2c1 ZINC000020389402 182213317 /nfs/dbraw/zinc/21/33/17/182213317.db2.gz BVSLVJJMTTZPIM-INIZCTEOSA-N 0 0 316.198 4.552 10 0 DJAERN Cc1ccc2cc([C@@H](N)c3ccc(Br)cc3)oc2c1 ZINC000020389312 182213648 /nfs/dbraw/zinc/21/36/48/182213648.db2.gz PJUVLTRYAAHOBD-INIZCTEOSA-N 0 0 316.198 4.552 10 0 DJAERN Nc1nc(-c2ccccc2OCc2ccccc2Cl)cs1 ZINC000020331961 182208304 /nfs/dbraw/zinc/20/83/04/182208304.db2.gz PDBWIYGSYYWVBG-UHFFFAOYSA-N 0 0 316.813 4.625 10 0 DJAERN Cc1sc(N)nc1-c1ccc(OCc2ccccc2C)cc1 ZINC000020330443 182208345 /nfs/dbraw/zinc/20/83/45/182208345.db2.gz BBRWXNUAVAKSON-UHFFFAOYSA-N 0 0 310.422 4.588 10 0 DJAERN Nc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cs1 ZINC000020329766 182208503 /nfs/dbraw/zinc/20/85/03/182208503.db2.gz HKHOIFUYEFWPLO-UHFFFAOYSA-N 0 0 316.813 4.625 10 0 DJAERN Nc1ccccc1COc1c(Cl)cc(Cl)cc1Cl ZINC000020518777 182226886 /nfs/dbraw/zinc/22/68/86/182226886.db2.gz BJXPDWPPTRGCNR-UHFFFAOYSA-N 0 0 302.588 4.808 10 0 DJAERN Cc1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000021010036 182260092 /nfs/dbraw/zinc/26/00/92/182260092.db2.gz NXEJHTZVBNCRFM-UHFFFAOYSA-N 0 0 311.606 4.990 10 0 DJAERN Cc1cc(NC[C@H](C)c2ccccc2)ccc1Br ZINC000021015240 182260397 /nfs/dbraw/zinc/26/03/97/182260397.db2.gz SRXAMYKFTJAVPO-ZDUSSCGKSA-N 0 0 304.231 4.973 10 0 DJAERN CCC[C@H](C)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1C ZINC000021145299 182266884 /nfs/dbraw/zinc/26/68/84/182266884.db2.gz RPHZIJYKSZGYER-ZDUSSCGKSA-N 0 0 321.424 4.913 10 0 DJAERN Fc1ccc(Br)cc1CNc1cccc(Cl)c1 ZINC000021800666 182290505 /nfs/dbraw/zinc/29/05/05/182290505.db2.gz HTXYUQGDTQJFLA-UHFFFAOYSA-N 0 0 314.585 4.854 10 0 DJAERN Cc1ccc(OCCCc2ccccc2)c(Br)c1 ZINC000021815202 182292430 /nfs/dbraw/zinc/29/24/30/182292430.db2.gz LNQFKUCCWOBZRL-UHFFFAOYSA-N 0 0 305.215 4.769 10 0 DJAERN C[C@@H](Nc1nc2ccccc2o1)c1cccc(Br)c1 ZINC000026709967 182450530 /nfs/dbraw/zinc/45/05/30/182450530.db2.gz MVSJACNRXHTSNV-SNVBAGLBSA-N 0 0 317.186 4.763 10 0 DJAERN C[C@H](NC(=O)N[C@@H](C)c1ccccc1)c1ccc(Cl)s1 ZINC000028409709 182523474 /nfs/dbraw/zinc/52/34/74/182523474.db2.gz AWGBVVNWXLBQFH-QWRGUYRKSA-N 0 0 308.834 4.523 10 0 DJAERN Cc1ccc2c(c1)/C(=C\c1ccc(Cl)cc1Cl)C(=O)N2 ZINC000034864056 182740839 /nfs/dbraw/zinc/74/08/39/182740839.db2.gz NSKVFODEMHVUAH-NTUHNPAUSA-N 0 0 304.176 4.795 10 0 DJAERN C[C@@H](CCc1ccco1)Nc1cc(Br)ccc1F ZINC000036750495 182839968 /nfs/dbraw/zinc/83/99/68/182839968.db2.gz RLUSXHOMUIZYJH-JTQLQIEISA-N 0 0 312.182 4.614 10 0 DJAERN Cc1ccc(SCc2c(Cl)cc(C)nc2Cl)c(N)c1 ZINC000037192844 182871576 /nfs/dbraw/zinc/87/15/76/182871576.db2.gz VJSCSDUJPJIYSI-UHFFFAOYSA-N 0 0 313.253 4.880 10 0 DJAERN C[C@@H](Nc1ccc(Br)cc1)c1ccc2c(c1)CCO2 ZINC000037203661 182872302 /nfs/dbraw/zinc/87/23/02/182872302.db2.gz IITJJXNDEVANBB-LLVKDONJSA-N 0 0 318.214 4.557 10 0 DJAERN COc1ccc([C@@]2(C)CC(c3cccc4ccccc43)=NO2)cc1 ZINC000038317064 182997844 /nfs/dbraw/zinc/99/78/44/182997844.db2.gz BTKWLKODULZUCQ-OAQYLSRUSA-N 0 0 317.388 4.888 10 0 DJAERN COc1ccc(Nc2nc3c(s2)c(C)c(O)c(C)c3C)cc1 ZINC000039127743 183013958 /nfs/dbraw/zinc/01/39/58/183013958.db2.gz UWYBFWJGSZUMDT-UHFFFAOYSA-N 0 0 314.410 4.679 10 0 DJAERN Cc1cc(O[C@@H](C)c2nc3ccccc3[nH]2)cc(C)c1Cl ZINC000040169863 183043397 /nfs/dbraw/zinc/04/33/97/183043397.db2.gz LEIRLIRJSVLDNB-LBPRGKRZSA-N 0 0 300.789 4.973 10 0 DJAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1ccc(F)cc1 ZINC000040178703 183044196 /nfs/dbraw/zinc/04/41/96/183044196.db2.gz GETUWIHLYYMGRR-UHFFFAOYSA-N 0 0 309.340 4.955 10 0 DJAERN Cc1ccc(Oc2ccc(C(=O)NC3CCCCC3)cc2)cc1 ZINC000040179055 183044429 /nfs/dbraw/zinc/04/44/29/183044429.db2.gz HIOAYJSUWOHZGW-UHFFFAOYSA-N 0 0 309.409 4.850 10 0 DJAERN Cc1ccc(OCCn2c3ccccc3nc2C(C)C)c(C)c1 ZINC000040231238 183047656 /nfs/dbraw/zinc/04/76/56/183047656.db2.gz VMUXKHIJLQICCQ-UHFFFAOYSA-N 0 0 308.425 4.856 10 0 DJAERN COc1ccccc1Cn1c2ccccc2nc1-c1ccccc1 ZINC000040239340 183048542 /nfs/dbraw/zinc/04/85/42/183048542.db2.gz FMNIAYUHHMBKER-UHFFFAOYSA-N 0 0 314.388 4.760 10 0 DJAERN Cc1cccc(OCCn2c3ccccc3nc2C(C)(C)C)c1 ZINC000040239230 183048893 /nfs/dbraw/zinc/04/88/93/183048893.db2.gz NLEDZTPDWWYRKV-UHFFFAOYSA-N 0 0 308.425 4.721 10 0 DJAERN CCn1c(COc2ccc(C)cc2)nc2ccc(Cl)cc21 ZINC000040417234 183063564 /nfs/dbraw/zinc/06/35/64/183063564.db2.gz VIABAXHJECLUCG-UHFFFAOYSA-N 0 0 300.789 4.597 10 0 DJAERN CCCn1c(COc2cccc(C)c2)nc2ccc(Cl)cc21 ZINC000040417554 183063607 /nfs/dbraw/zinc/06/36/07/183063607.db2.gz YAVWRSOHBKEIQB-UHFFFAOYSA-N 0 0 314.816 4.987 10 0 DJAERN Cn1c(COc2ccc3ccccc3c2)nc2cc(Cl)ccc21 ZINC000040417087 183063640 /nfs/dbraw/zinc/06/36/40/183063640.db2.gz IFNAMLHVCUWEMC-UHFFFAOYSA-N 0 0 322.795 4.959 10 0 DJAERN CCn1c(COc2ccc(C)cc2C)nc2ccc(Cl)cc21 ZINC000040417238 183063684 /nfs/dbraw/zinc/06/36/84/183063684.db2.gz FSAXLHNWZRLYLT-UHFFFAOYSA-N 0 0 314.816 4.905 10 0 DJAERN Cc1ccc(OCc2nc3ccccc3n2CC(C)C)c(C)c1 ZINC000040417593 183063705 /nfs/dbraw/zinc/06/37/05/183063705.db2.gz WWKAMNZAMUOLST-UHFFFAOYSA-N 0 0 308.425 4.888 10 0 DJAERN Cc1ccc(-c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 ZINC000040853119 183142119 /nfs/dbraw/zinc/14/21/19/183142119.db2.gz NHISDTKHTNSVLC-UHFFFAOYSA-N 0 0 317.388 4.680 10 0 DJAERN CCOc1ccccc1-c1cn2c(n1)sc1cccc(OC)c12 ZINC000040964685 183152164 /nfs/dbraw/zinc/15/21/64/183152164.db2.gz VSWIVXHJOSJOAK-UHFFFAOYSA-N 0 0 324.405 4.623 10 0 DJAERN Cc1c(-c2ccc(Cl)cc2)nc2sc(CC(C)C)nn12 ZINC000040963865 183152194 /nfs/dbraw/zinc/15/21/94/183152194.db2.gz IBBLOQKXVFVCFK-UHFFFAOYSA-N 0 0 305.834 4.618 10 0 DJAERN CCOc1ccc(-c2cn3c4ccc(OC)cc4sc3n2)cc1 ZINC000040964261 183152211 /nfs/dbraw/zinc/15/22/11/183152211.db2.gz REYCZOHHSODTTR-UHFFFAOYSA-N 0 0 324.405 4.623 10 0 DJAERN CCc1ccc(-c2cn3c(n2)sc2cccc(OC)c23)cc1 ZINC000040964667 183152218 /nfs/dbraw/zinc/15/22/18/183152218.db2.gz WMEWFXZFRBMQKX-UHFFFAOYSA-N 0 0 308.406 4.787 10 0 DJAERN COc1cccc2sc3nc(-c4ccccc4Cl)cn3c21 ZINC000040964655 183152314 /nfs/dbraw/zinc/15/23/14/183152314.db2.gz MLMILDFTUQONHS-UHFFFAOYSA-N 0 0 314.797 4.878 10 0 DJAERN Cc1c(-c2ccc(F)cc2)nc2sc(C3CCCCC3)nn12 ZINC000040963756 183152398 /nfs/dbraw/zinc/15/23/98/183152398.db2.gz ZDTCHLALXHHGKU-UHFFFAOYSA-N 0 0 315.417 4.953 10 0 DJAERN CCCOc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1OCC ZINC000041006014 183155910 /nfs/dbraw/zinc/15/59/10/183155910.db2.gz DMUMKXDMMVBWOP-UHFFFAOYSA-N 0 0 310.397 4.726 10 0 DJAERN O=C(/C=C/c1ccccc1Cl)Nc1ccnc2ccccc21 ZINC000041058247 183160835 /nfs/dbraw/zinc/16/08/35/183160835.db2.gz NTHFTUXZLNKKNM-MDZDMXLPSA-N 0 0 308.768 4.540 10 0 DJAERN Oc1cccc(-c2ccc3c(Br)c(O)ccc3c2)c1 ZINC000040876206 183145583 /nfs/dbraw/zinc/14/55/83/183145583.db2.gz WIVQIQQCUPQEGH-UHFFFAOYSA-N 0 0 315.166 4.681 10 0 in-vivo DJAERN CC(C)c1ccc(C[C@H](CO)Cc2cccc(Cl)c2)cc1 ZINC000041516734 183196745 /nfs/dbraw/zinc/19/67/45/183196745.db2.gz SEEYTETYZCYCNI-KRWDZBQOSA-N 0 0 302.845 4.857 10 0 DJAERN Nc1onc(-c2ccc(Cl)cc2)c1-c1ccccc1Cl ZINC000041531770 183198895 /nfs/dbraw/zinc/19/88/95/183198895.db2.gz UYWJPWFANOGTGW-UHFFFAOYSA-N 0 0 305.164 4.898 10 0 DJAERN Cc1cccc(C[C@@H](CO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000041543092 183201356 /nfs/dbraw/zinc/20/13/56/183201356.db2.gz CTGSISKEUHKOOA-OAHLLOKOSA-N 0 0 309.236 4.696 10 0 DJAERN OC[C@H](Cc1cccc(Cl)c1)Cc1c(F)cccc1Cl ZINC000041564658 183203230 /nfs/dbraw/zinc/20/32/30/183203230.db2.gz MXUIMJDSEAFZCS-GFCCVEGCSA-N 0 0 313.199 4.526 10 0 DJAERN Clc1ccc(Cl)c2c(Cl)c(Br)cnc12 ZINC000041702465 183217969 /nfs/dbraw/zinc/21/79/69/183217969.db2.gz IBMCVYAVSHNLKT-UHFFFAOYSA-N 0 0 311.393 4.958 10 0 DJAERN Nc1cc(F)ccc1SCc1sccc1Br ZINC000043675786 183379270 /nfs/dbraw/zinc/37/92/70/183379270.db2.gz GRLJXHPJEMYQRF-UHFFFAOYSA-N 0 0 318.236 4.524 10 0 DJAERN FC(F)(F)c1ccc(-c2nc(Br)cs2)cc1 ZINC000044119673 183394738 /nfs/dbraw/zinc/39/47/38/183394738.db2.gz JWYZAZIPKLMAEP-UHFFFAOYSA-N 0 0 308.122 4.591 10 0 DJAERN FC(F)(F)c1ccccc1-c1nc(Br)cs1 ZINC000044119826 183395018 /nfs/dbraw/zinc/39/50/18/183395018.db2.gz GNXMCQUXJPESOE-UHFFFAOYSA-N 0 0 308.122 4.591 10 0 DJAERN COc1ccc(Cl)cc1Nc1cc(C)nc2nc(C)ccc21 ZINC000047162272 183582590 /nfs/dbraw/zinc/58/25/90/183582590.db2.gz BDORLCWSQWMPIB-UHFFFAOYSA-N 0 0 313.788 4.652 10 0 DJAERN COc1ccccc1-c1cn2c3cc(C)c(C)cc3sc2n1 ZINC000054643896 183947321 /nfs/dbraw/zinc/94/73/21/183947321.db2.gz SPIVPZYZORNQQN-UHFFFAOYSA-N 0 0 308.406 4.841 10 0 DJAERN CCOC(=O)c1[nH]c2ccc(F)cc2c1-c1ccc(Cl)cc1 ZINC000058823801 184129146 /nfs/dbraw/zinc/12/91/46/184129146.db2.gz YCCSDQGEMSGPHH-UHFFFAOYSA-N 0 0 317.747 4.804 10 0 DJAERN CC(=O)c1ccc(Oc2cccc(C)c2)c(Br)c1 ZINC000061695013 184183383 /nfs/dbraw/zinc/18/33/83/184183383.db2.gz VLKRCCBKOVBRIQ-UHFFFAOYSA-N 0 0 305.171 4.752 10 0 DJAERN C[C@@H](O)Cc1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1 ZINC000062771306 184253290 /nfs/dbraw/zinc/25/32/90/184253290.db2.gz SIRJTJLYSLYVBP-SSDOTTSWSA-N 0 0 305.588 4.830 10 0 DJAERN CC(C)c1ccccc1NCc1ccc(O)c(Br)c1 ZINC000062700976 184247824 /nfs/dbraw/zinc/24/78/24/184247824.db2.gz JURNDBCFJSPBMI-UHFFFAOYSA-N 0 0 320.230 4.890 10 0 DJAERN CCSc1ccc(-c2cc(O)cc(Br)c2)cc1 ZINC000065343889 184325689 /nfs/dbraw/zinc/32/56/89/184325689.db2.gz GSGDZUNSQWJYRE-UHFFFAOYSA-N 0 0 309.228 4.934 10 0 DJAERN Cc1cc(-c2cc(O)cc(OC(F)(F)F)c2)ccc1Cl ZINC000065344228 184325945 /nfs/dbraw/zinc/32/59/45/184325945.db2.gz CDELGRWNEWUQCX-UHFFFAOYSA-N 0 0 302.679 4.920 10 0 DJAERN C[C@H](Cc1ccc(Sc2ccccc2)cc1)Cn1ccnc1 ZINC000100356244 257232233 /nfs/dbraw/zinc/23/22/33/257232233.db2.gz REKLVIOPVFDASM-MRXNPFEDSA-N 0 0 308.450 4.913 10 0 DJAERN c1ccc(-c2nnc(SC3CCCC3)n2-c2ccccc2)cc1 ZINC000020530521 257211957 /nfs/dbraw/zinc/21/19/57/257211957.db2.gz XPFLSLRYZNEOPR-UHFFFAOYSA-N 0 0 321.449 4.969 10 0 DJAERN C[C@H](Nc1ccc(C(F)(F)F)cn1)c1ccc(Cl)s1 ZINC000042373707 132152181 /nfs/dbraw/zinc/15/21/81/132152181.db2.gz PLTGOGIQUMTJFP-ZETCQYMHSA-N 0 0 306.740 4.988 10 0 DJAERN Cc1cc(O)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000174129884 332845629 /nfs/dbraw/zinc/84/56/29/332845629.db2.gz TYUPGNYYLNDVER-ZWKOTPCHSA-N 0 0 309.409 4.566 10 0 DJAERN CCc1cccc(C)c1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109097829 331510295 /nfs/dbraw/zinc/51/02/95/331510295.db2.gz RIKPGHLCJNKSEV-CABCVRRESA-N 0 0 315.363 4.578 10 0 DJAERN CC(C)COc1ccc([C@H](C)N[C@H](C)c2nccs2)cc1 ZINC000080289656 331684385 /nfs/dbraw/zinc/68/43/85/331684385.db2.gz HFXFGTJRCOOHLC-UONOGXRCSA-N 0 0 304.459 4.590 10 0 DJAERN Cc1ccc([C@@H](C)N[C@@H](C)c2nc3ccc(Cl)cc3n2C)o1 ZINC000091264917 332102636 /nfs/dbraw/zinc/10/26/36/332102636.db2.gz MRXQCKGPSBUUQW-NEPJUHHUSA-N 0 0 317.820 4.540 10 0 DJAERN Cc1ccc([C@H](C)N[C@H](C)c2nc3ccc(Cl)cc3n2C)o1 ZINC000091264920 332102675 /nfs/dbraw/zinc/10/26/75/332102675.db2.gz MRXQCKGPSBUUQW-NWDGAFQWSA-N 0 0 317.820 4.540 10 0 DJAERN CCCC(CCC)C(=O)N1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000123679637 332128977 /nfs/dbraw/zinc/12/89/77/332128977.db2.gz MQTYFQNDPZICRR-OAHLLOKOSA-N 0 0 322.518 4.628 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)C2(Cc3ccccc3)CC2)o1 ZINC000177095947 332971514 /nfs/dbraw/zinc/97/15/14/332971514.db2.gz NQCCWOFFOFOAFN-GOSISDBHSA-N 0 0 323.436 4.665 10 0 DJAERN Cc1ccc([C@@H](C)NCc2csc(-c3ccc(F)cc3)n2)o1 ZINC000022742387 335117261 /nfs/dbraw/zinc/11/72/61/335117261.db2.gz HUXZDWRCMBNRTM-GFCCVEGCSA-N 0 0 316.401 4.701 10 0 DJAERN CC(C)[C@@H](C)NC(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000110251671 333574600 /nfs/dbraw/zinc/57/46/00/333574600.db2.gz JPZBADFKODHGSX-MRXNPFEDSA-N 0 0 310.441 4.540 10 0 DJAERN CC(C)c1ccc([C@@H](C)N[C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000187669962 334268764 /nfs/dbraw/zinc/26/87/64/334268764.db2.gz WHOIPEZVSBLIPU-OXQOHEQNSA-N 0 0 319.452 4.973 10 0 DJAERN C[C@@H](NC(=O)NCCC1=CCCCC1)c1ccc(Cl)s1 ZINC000048448173 334290255 /nfs/dbraw/zinc/29/02/55/334290255.db2.gz HMRJTBGTUQCGAF-LLVKDONJSA-N 0 0 312.866 4.652 10 0 DJAERN C[C@@H](NCc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000048777322 334296274 /nfs/dbraw/zinc/29/62/74/334296274.db2.gz ZWQDYLUEFYKVPV-SNVBAGLBSA-N 0 0 320.223 4.721 10 0 DJAERN O=C(Nc1ccccc1)N1Cc2ccccc2-c2ccccc2C1 ZINC000101935455 334368029 /nfs/dbraw/zinc/36/80/29/334368029.db2.gz NNIKGMLHAHSAED-UHFFFAOYSA-N 0 0 314.388 4.901 10 0 DJAERN Cc1ccc([C@H](C)NCc2nc3ccccc3s2)cc1F ZINC000094836728 335755650 /nfs/dbraw/zinc/75/56/50/335755650.db2.gz RFHQODPATDIYGE-LBPRGKRZSA-N 0 0 300.402 4.595 10 0 DJAERN COc1ccc(F)c(N[C@H](C)c2cnc3ccsc3c2)c1 ZINC000094854761 335757457 /nfs/dbraw/zinc/75/74/57/335757457.db2.gz KAMZAYOBFHXLMV-SNVBAGLBSA-N 0 0 302.374 4.617 10 0 DJAERN CC1(C)CC[C@@H](Nc2cccc3c2OCC(=O)N3)c2ccccc21 ZINC000329541326 335992033 /nfs/dbraw/zinc/99/20/33/335992033.db2.gz XELKMAULYMVQQR-OAHLLOKOSA-N 0 0 322.408 4.892 10 0 DJAERN Cc1ccc(C)c(C[NH2+][C@@H](C)c2ccccc2Br)c1 ZINC000042275033 336238436 /nfs/dbraw/zinc/23/84/36/336238436.db2.gz BUQFOKRHTTZFLF-AWEZNQCLSA-N 0 0 318.258 4.917 10 0 DJAERN FC(F)(F)c1cccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000301502101 336310888 /nfs/dbraw/zinc/31/08/88/336310888.db2.gz FJTWMGZFFXXJSM-BDAKNGLRSA-N 0 0 312.257 4.633 10 0 DJAERN FC(F)(F)c1cccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000301502102 336310893 /nfs/dbraw/zinc/31/08/93/336310893.db2.gz FJTWMGZFFXXJSM-DTWKUNHWSA-N 0 0 312.257 4.633 10 0 DJAERN CCc1c(Cl)nc(C)nc1N[C@H](C)c1csc(C(C)C)n1 ZINC000301569178 336315602 /nfs/dbraw/zinc/31/56/02/336315602.db2.gz LNTCNGMGSWGOPJ-SECBINFHSA-N 0 0 324.881 4.754 10 0 DJAERN Cc1cc(N[C@@H](C)c2csc(C(C)C)n2)nc(C(C)C)n1 ZINC000301586007 336316645 /nfs/dbraw/zinc/31/66/45/336316645.db2.gz RFMQYXKBSOHWDS-LBPRGKRZSA-N 0 0 304.463 4.661 10 0 DJAERN CC[C@@H](Nc1cc(C)nc2c(OC)cccc12)c1ccncc1 ZINC000301685035 336323308 /nfs/dbraw/zinc/32/33/08/336323308.db2.gz UFTLPZJCXDZUSI-MRXNPFEDSA-N 0 0 307.397 4.510 10 0 DJAERN Cc1cc2c(ncnc2N[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000301860262 336334710 /nfs/dbraw/zinc/33/47/10/336334710.db2.gz DJLHYXNDUHVFML-UWVGGRQHSA-N 0 0 315.364 4.533 10 0 DJAERN FC(F)(F)[C@@H]1CCC[C@H](Nc2cc(Cl)nc(C3CC3)n2)C1 ZINC000301916374 336337995 /nfs/dbraw/zinc/33/79/95/336337995.db2.gz IZJIJHPQAXTFJO-ZJUUUORDSA-N 0 0 319.758 4.540 10 0 DJAERN C[C@@H](Nc1nnc(Cc2ccc(F)cc2)s1)c1cccs1 ZINC000302110785 336348915 /nfs/dbraw/zinc/34/89/15/336348915.db2.gz PLLCQZLSFORHGQ-SNVBAGLBSA-N 0 0 319.430 4.503 10 0 DJAERN C[C@H](Nc1nnc(-c2ccccc2Cl)s1)c1ccco1 ZINC000302154461 336351164 /nfs/dbraw/zinc/35/11/64/336351164.db2.gz LWOXPKPYUBDWLI-VIFPVBQESA-N 0 0 305.790 4.625 10 0 DJAERN C[C@H](CC(=O)N1CCCC[C@H]1c1nccs1)C1CCCCC1 ZINC000115363634 336824117 /nfs/dbraw/zinc/82/41/17/336824117.db2.gz RWEIYSYTKOAJPK-ZBFHGGJFSA-N 0 0 320.502 4.803 10 0 DJAERN Cc1cc(F)ccc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118008977 336862639 /nfs/dbraw/zinc/86/26/39/336862639.db2.gz VSHDUTUAXLFHEY-UHFFFAOYSA-N 0 0 316.401 4.517 10 0 DJAERN CC(C)c1ccc([C@@H](C)NC(=O)[C@H]2CCCc3cccnc32)cc1 ZINC000193852994 337079552 /nfs/dbraw/zinc/07/95/52/337079552.db2.gz CDYYWQXUAFFKDQ-BEFAXECRSA-N 0 0 322.452 4.502 10 0 DJAERN COc1ccc([C@@H](C)Nc2cccc(-c3cnco3)c2)cc1F ZINC000193911525 337080483 /nfs/dbraw/zinc/08/04/83/337080483.db2.gz VEMHDWKBQKYABE-GFCCVEGCSA-N 0 0 312.344 4.662 10 0 DJAERN CCSc1cccc(NC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000172155448 337090083 /nfs/dbraw/zinc/09/00/83/337090083.db2.gz SBAAGOHDULHOHT-OAHLLOKOSA-N 0 0 316.426 4.761 10 0 DJAERN CC(C)c1csc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000173965794 337138045 /nfs/dbraw/zinc/13/80/45/337138045.db2.gz VDIJPYXRZQQYFH-OAHLLOKOSA-N 0 0 320.502 4.553 10 0 DJAERN Fc1ccc2c(c1)[C@@H](N[C@H](c1ccco1)c1ccccc1)CCO2 ZINC000178430914 337164732 /nfs/dbraw/zinc/16/47/32/337164732.db2.gz LJFLBXSSZFBKQE-PXNSSMCTSA-N 0 0 323.367 4.622 10 0 DJAERN CC[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cccs1 ZINC000178609546 337165354 /nfs/dbraw/zinc/16/53/54/337165354.db2.gz DXNUSCCEFXPKLQ-PKOBYXMFSA-N 0 0 308.450 4.973 10 0 DJAERN CC[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccccc1 ZINC000178607969 337165368 /nfs/dbraw/zinc/16/53/68/337165368.db2.gz KDBZTIDMHBQUTG-LEWJYISDSA-N 0 0 302.421 4.912 10 0 DJAERN Cc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)CC2 ZINC000178611893 337165486 /nfs/dbraw/zinc/16/54/86/337165486.db2.gz CZDKLKNQJNUKSO-YADHBBJMSA-N 0 0 314.432 4.757 10 0 DJAERN C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1ccc(Cl)nc1 ZINC000179119947 337168007 /nfs/dbraw/zinc/16/80/07/337168007.db2.gz FNEYIKPBTBFTPZ-AUUYWEPGSA-N 0 0 323.827 4.570 10 0 DJAERN Cc1ccc([C@@H](C)Nc2ccc3c(c2)CCCC(=O)N3)s1 ZINC000179812259 337172086 /nfs/dbraw/zinc/17/20/86/337172086.db2.gz DAESCVIUZRTYCW-GFCCVEGCSA-N 0 0 300.427 4.504 10 0 DJAERN CCc1nc(C)c([C@H](C)Nc2cccc(-c3cnco3)c2)s1 ZINC000182830281 337188554 /nfs/dbraw/zinc/18/85/54/337188554.db2.gz IXVYKRPJTPSXOO-NSHDSACASA-N 0 0 313.426 4.842 10 0 DJAERN CC[C@H](N[C@@H](C)c1nc(-c2ccccc2)no1)c1cccs1 ZINC000184043969 337196933 /nfs/dbraw/zinc/19/69/33/337196933.db2.gz AOUXEGQQRCTQDJ-JSGCOSHPSA-N 0 0 313.426 4.600 10 0 DJAERN Cc1cccc([C@H](C)NCc2ncc(-c3ccccc3)cn2)c1C ZINC000186048261 337253077 /nfs/dbraw/zinc/25/30/77/337253077.db2.gz QZJDJCFSGUSSMJ-KRWDZBQOSA-N 0 0 317.436 4.611 10 0 DJAERN COc1ccc2c(c1)CCN(c1ccc(C3CCCC3)cc1)C2=O ZINC000584613041 337372490 /nfs/dbraw/zinc/37/24/90/337372490.db2.gz OKXRUOZXJSIGNM-UHFFFAOYSA-N 0 0 321.420 4.556 10 0 DJAERN CCCCCCN1C(=O)c2ccccc2[C@@H]1c1ccc(O)cc1 ZINC000584619129 337373348 /nfs/dbraw/zinc/37/33/48/337373348.db2.gz FJSOQDGSLHXBMO-IBGZPJMESA-N 0 0 309.409 4.518 10 0 DJAERN Fc1cc(Br)cc(C(Cl)(Cl)Cl)c1F ZINC000584593775 337373732 /nfs/dbraw/zinc/37/37/32/337373732.db2.gz PTNASDKYVSMAHM-UHFFFAOYSA-N 0 0 310.352 4.554 10 0 DJAERN Fc1cccc(Oc2nccc3c(Cl)cnc(Cl)c32)c1 ZINC000584624356 337375295 /nfs/dbraw/zinc/37/52/95/337375295.db2.gz ZQPHEPFKHCWIJN-UHFFFAOYSA-N 0 0 309.127 4.868 10 0 DJAERN C[C@@](O)(c1ccccc1Cl)[C@@H](c1ccccc1)c1ccccn1 ZINC000584629763 337376557 /nfs/dbraw/zinc/37/65/57/337376557.db2.gz RAZYYBUOXWFVBJ-VQTJNVASSA-N 0 0 323.823 4.775 10 0 DJAERN CCC[C@H](O)c1ccc2c3ccc(OC)c(F)c3oc2c1F ZINC000584632115 337377234 /nfs/dbraw/zinc/37/72/34/337377234.db2.gz HNLJECJJKNSIJO-LBPRGKRZSA-N 0 0 306.308 4.706 10 0 DJAERN Cc1nc2sc(C3CCC(F)(F)CC3)cc2c(Cl)n1 ZINC000584648273 337380383 /nfs/dbraw/zinc/38/03/83/337380383.db2.gz XYTVWEXMLXUONJ-UHFFFAOYSA-N 0 0 302.777 4.946 10 0 DJAERN O=C(CCCCCc1cccs1)N1CCC[C@@H]1c1ccco1 ZINC000116044194 337392301 /nfs/dbraw/zinc/39/23/01/337392301.db2.gz OWGOUWZGQLCKCD-MRXNPFEDSA-N 0 0 317.454 4.808 10 0 DJAERN CC(C)(C)c1ccccc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116476242 337392678 /nfs/dbraw/zinc/39/26/78/337392678.db2.gz DZSARPOJDNLETL-MRXNPFEDSA-N 0 0 312.413 4.946 10 0 DJAERN CCCC[C@H](CC)CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000117252044 337393164 /nfs/dbraw/zinc/39/31/64/337393164.db2.gz BAJYZORVZGMMDE-GJZGRUSLSA-N 0 0 308.491 4.803 10 0 DJAERN Cc1coc(-c2ccc(C)c(NC(=O)N[C@@H](C)C(C)(C)C)c2)n1 ZINC000121039350 337396212 /nfs/dbraw/zinc/39/62/12/337396212.db2.gz CWBIPLNFKBLHMW-ZDUSSCGKSA-N 0 0 315.417 4.515 10 0 DJAERN Cc1csc(C2CCN(C(=O)CCCC3CCCC3)CC2)n1 ZINC000079925442 337638554 /nfs/dbraw/zinc/63/85/54/337638554.db2.gz DUTUBGVUTYXSQZ-UHFFFAOYSA-N 0 0 320.502 4.518 10 0 DJAERN Cc1ccc([C@@H](C)N[C@H](C)c2ccccc2Br)o1 ZINC000036945594 337800446 /nfs/dbraw/zinc/80/04/46/337800446.db2.gz RKAMUQJUZOVWES-VXGBXAGGSA-N 0 0 308.219 4.762 10 0 DJAERN Cc1ccc(F)cc1NC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105349363 337806233 /nfs/dbraw/zinc/80/62/33/337806233.db2.gz MFFYFGXJPVNYOX-UHFFFAOYSA-N 0 0 316.376 4.704 10 0 DJAERN CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)C1CCCCCC1 ZINC000105354913 337807469 /nfs/dbraw/zinc/80/74/69/337807469.db2.gz PEZSFFBKXCFGTE-UHFFFAOYSA-N 0 0 315.388 4.881 10 0 DJAERN CCn1nc(C)c([C@@H](C)Nc2cc(Cl)cc(Cl)c2)c1C ZINC000045167301 337820536 /nfs/dbraw/zinc/82/05/36/337820536.db2.gz TTWAKVBBNJPSOI-SECBINFHSA-N 0 0 312.244 5.000 10 0 DJAERN C[C@H](Nc1ccncc1Br)c1ccc(Cl)s1 ZINC000159829924 338533036 /nfs/dbraw/zinc/53/30/36/338533036.db2.gz XVIBXHQOXOWRHV-ZETCQYMHSA-N 0 0 317.639 4.732 10 0 DJAERN CCC[C@@H](C)CC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173967102 340378880 /nfs/dbraw/zinc/37/88/80/340378880.db2.gz OTQICEALMFKJIH-HUUCEWRRSA-N 0 0 322.518 4.799 10 0 DJAERN CC(C)(C)CCCCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176326581 340426497 /nfs/dbraw/zinc/42/64/97/340426497.db2.gz CVTFXCMEMSUGFR-CQSZACIVSA-N 0 0 323.506 4.596 10 0 DJAERN CSCCCCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000131169826 341063741 /nfs/dbraw/zinc/06/37/41/341063741.db2.gz ZSFYKULTWYWFRI-AWEZNQCLSA-N 0 0 301.455 4.550 10 0 DJAERN C[C@@H](NC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(F)c(Cl)c1 ZINC000073866481 341122363 /nfs/dbraw/zinc/12/23/63/341122363.db2.gz TVCVRCZIILQEFN-MNOVXSKESA-N 0 0 324.827 4.513 10 0 DJAERN C[C@H](Nc1cncc(Br)c1)c1ccccc1Cl ZINC000134624041 341220176 /nfs/dbraw/zinc/22/01/76/341220176.db2.gz XAGPDGXGHIVSQT-VIFPVBQESA-N 0 0 311.610 4.671 10 0 DJAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2ccccc2c1 ZINC000078491029 341242903 /nfs/dbraw/zinc/24/29/03/341242903.db2.gz WAFBVLIFZDSQFL-JKSUJKDBSA-N 0 0 321.342 4.691 10 0 DJAERN Cc1ccccc1-c1noc([C@@H](C)N2CCC[C@H]2c2ccco2)n1 ZINC000245496825 341297460 /nfs/dbraw/zinc/29/74/60/341297460.db2.gz SEYDYJRCBUOGAJ-ZBFHGGJFSA-N 0 0 323.396 4.536 10 0 DJAERN Cc1cccc(CN[C@@H](c2ccccc2)c2ccccc2C)n1 ZINC000175173040 341835715 /nfs/dbraw/zinc/83/57/15/341835715.db2.gz VKYTZPWZNJQILT-NRFANRHFSA-N 0 0 302.421 4.578 10 0 DJAERN Cc1cccc(CNCc2c(Cl)cccc2SC(C)C)n1 ZINC000192478717 341841040 /nfs/dbraw/zinc/84/10/40/341841040.db2.gz QEYLFESWPRFNEM-UHFFFAOYSA-N 0 0 320.889 4.834 10 0 DJAERN CC(C)c1nc(CN[C@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000181425087 519864208 /nfs/dbraw/zinc/86/42/08/519864208.db2.gz XBJYOYPXVLJHMY-OAHLLOKOSA-N 0 0 321.424 4.711 10 0 DJAERN CC(C)(C)OC(=O)CN1c2ccccc2Sc2ccccc21 ZINC000009940856 534746708 /nfs/dbraw/zinc/74/67/08/534746708.db2.gz NJAATRFYUBHVQY-UHFFFAOYSA-N 0 0 313.422 4.631 10 0 DJAERN Cc1cccc([S@@](=O)[C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000157095692 524909549 /nfs/dbraw/zinc/90/95/49/524909549.db2.gz KRJBEFBNDMDQQO-RCDICMHDSA-N 0 0 311.406 4.519 10 0 DJAERN C[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc(C2CCCCC2)cc1 ZINC000164727856 525640460 /nfs/dbraw/zinc/64/04/60/525640460.db2.gz NXPUCSYHPXXPOA-DNVCBOLYSA-N 0 0 324.472 4.512 10 0 DJAERN Cc1coc(-c2ccc(C)c(N[C@H](C)c3cncc(C)c3)c2)n1 ZINC000184476157 526272131 /nfs/dbraw/zinc/27/21/31/526272131.db2.gz ZYIDOQPNAMPJDF-OAHLLOKOSA-N 0 0 307.397 4.835 10 0 DJAERN C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013547900 560219627 /nfs/dbraw/zinc/21/96/27/560219627.db2.gz DYVGYXXLXQESJE-WTVMURBBSA-N 0 0 318.501 4.595 10 0 in-vitro DJAERN CC(C)(C)c1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 ZINC000013467998 563382021 /nfs/dbraw/zinc/38/20/21/563382021.db2.gz KBQKGGJUVOFYMC-XGHQBKJUSA-N 0 0 313.485 4.929 10 0 DJAERN CC(C)=CCc1cc([C@H]2CCc3ccc(O)cc3O2)ccc1O ZINC000015115009 563407794 /nfs/dbraw/zinc/40/77/94/563407794.db2.gz HORNIGLAKNPZGF-LJQANCHMSA-N 0 0 310.393 4.673 10 0 biogenic,in-vitro DJAERN CCN(N=O)c1ccc(/C=C/c2ccnc3ccccc23)cc1 ZINC000017423691 563461570 /nfs/dbraw/zinc/46/15/70/563461570.db2.gz HBAWNHAMKZYTSD-JXMROGBWSA-N 0 0 303.365 4.913 10 0 DJAERN Fc1ccc(CN(C/C=C/c2ccco2)Cc2ccncc2)cc1 ZINC000055568853 563475980 /nfs/dbraw/zinc/47/59/80/563475980.db2.gz RBQAYPFYKYYDGS-HNQUOIGGSA-N 0 0 322.383 4.529 10 0 DJAERN CCCC[C@H](C)c1nc2cc(C)c(CC)c(Br)n2n1 ZINC000725248021 563526895 /nfs/dbraw/zinc/52/68/95/563526895.db2.gz HPZPSELQQYWFIN-JTQLQIEISA-N 0 0 324.266 4.656 10 0 DJAERN Cc1c(Br)cccc1-c1ccc([C@@H]2CCO2)cc1 ZINC000725265263 563571018 /nfs/dbraw/zinc/57/10/18/563571018.db2.gz VKRALXYYCDWTFI-INIZCTEOSA-N 0 0 303.199 4.886 10 0 DJAERN CCC[C@H]1CCc2[nH]nc(-c3cccc(Br)c3)c2C1 ZINC000725265573 563571452 /nfs/dbraw/zinc/57/14/52/563571452.db2.gz KGLGIEQQXVUWMF-NSHDSACASA-N 0 0 319.246 4.744 10 0 DJAERN O=C(CCc1ccc(-c2cccs2)o1)OCc1ccccc1 ZINC000048545155 563698488 /nfs/dbraw/zinc/69/84/88/563698488.db2.gz ATQIJGUYNKJARW-UHFFFAOYSA-N 0 0 312.390 4.684 10 0 DJAERN CC(C)c1ccc([C@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1 ZINC000002500102 563938168 /nfs/dbraw/zinc/93/81/68/563938168.db2.gz NICGMPSRNPZCJX-HZPDHXFCSA-N 0 0 324.453 4.609 10 0 DJAERN CC(C)c1csc(-c2cc(Br)ccc2F)n1 ZINC000229319777 563959472 /nfs/dbraw/zinc/95/94/72/563959472.db2.gz VDTZASSDOGJYIR-UHFFFAOYSA-N 0 0 300.196 4.835 10 0 DJAERN FC(F)(F)c1nc(-c2ccsc2)sc1Br ZINC000616578484 563961694 /nfs/dbraw/zinc/96/16/94/563961694.db2.gz OLMZUFOHBJOASY-UHFFFAOYSA-N 0 0 314.151 4.653 10 0 DJAERN C=C1S[C@@H](c2ccccc2)C(=O)N1c1c(C)cccc1CC ZINC000090415656 185295187 /nfs/dbraw/zinc/29/51/87/185295187.db2.gz FGGOJBRGXLLVLJ-SFHVURJKSA-N 0 0 309.434 4.850 10 0 DJAERN Brc1ccc(-c2ccnc(-c3ccccn3)c2)cc1 ZINC000090549450 185302483 /nfs/dbraw/zinc/30/24/83/185302483.db2.gz LIDFBRNTVIGMBT-UHFFFAOYSA-N 0 0 311.182 4.573 10 0 DJAERN O=C1OC(c2ccccc2)=NC1=C1CCC(c2ccccc2)CC1 ZINC000090662549 185308527 /nfs/dbraw/zinc/30/85/27/185308527.db2.gz DYTRZYGEBFJWFT-UHFFFAOYSA-N 0 0 317.388 4.602 10 0 DJAERN CCCCCC(=O)Nc1ccc(NC(=O)CCCCC)cc1 ZINC000003084248 190616765 /nfs/dbraw/zinc/61/67/65/190616765.db2.gz FOSAEIWYGFJZRV-UHFFFAOYSA-N 0 0 304.434 4.724 10 0 DJAERN Brc1cccc(Oc2ccc3ccccc3n2)c1 ZINC000019806529 190644712 /nfs/dbraw/zinc/64/47/12/190644712.db2.gz ATNPRKOXRYYREJ-UHFFFAOYSA-N 0 0 300.155 4.790 10 0 DJAERN CC[C@@H]1CCCC[C@@H]1Nc1cc(Br)ccc1OC ZINC000070978169 190927641 /nfs/dbraw/zinc/92/76/41/190927641.db2.gz AHQGVGZKEMMHMX-YPMHNXCESA-N 0 0 312.251 4.838 10 0 DJAERN Brc1cc(Br)c(C2CCCCC2)cn1 ZINC000072192703 191073558 /nfs/dbraw/zinc/07/35/58/191073558.db2.gz MQCUDWNZLICWFD-UHFFFAOYSA-N 0 0 319.040 4.654 10 0 DJAERN CCCn1c(C)cc2ccnc(NCc3ccc(F)cc3C)c21 ZINC000146402903 186038323 /nfs/dbraw/zinc/03/83/23/186038323.db2.gz VMMUHXBFVURQAQ-UHFFFAOYSA-N 0 0 311.404 4.814 10 0 DJAERN CSc1ccc(-c2ccnc(N3CCc4ccccc43)n2)cc1 ZINC000072443422 191166939 /nfs/dbraw/zinc/16/69/39/191166939.db2.gz IWSISBLXPPJPDS-UHFFFAOYSA-N 0 0 319.433 4.560 10 0 DJAERN COc1ccccc1-c1ccnc(Nc2ccc(Cl)cc2)n1 ZINC000072443553 191169124 /nfs/dbraw/zinc/16/91/24/191169124.db2.gz YPJABPWAMCEIQJ-UHFFFAOYSA-N 0 0 311.772 4.549 10 0 DJAERN ClC(Cl)=C(Cl)c1nc(-c2ccc(Cl)cc2)no1 ZINC000000159342 180711532 /nfs/dbraw/zinc/71/15/32/180711532.db2.gz YSXNDROQLRBTON-UHFFFAOYSA-N 0 0 309.967 4.733 10 0 DJAERN Cc1sc(N)c(C(=O)OC(C)C)c1-c1ccc(Cl)cc1 ZINC000002732027 180950011 /nfs/dbraw/zinc/95/00/11/180950011.db2.gz DWBPNHDPTNFKLN-UHFFFAOYSA-N 0 0 309.818 4.524 10 0 DJAERN CC(C)c1ccc2nc(NC(=O)CCc3ccccc3)sc2c1 ZINC000004348645 181101352 /nfs/dbraw/zinc/10/13/52/181101352.db2.gz OVUFAULXYGMUJX-UHFFFAOYSA-N 0 0 324.449 4.991 10 0 DJAERN Clc1ccc(-c2nc(Cl)cc(-c3ccncc3)n2)cc1 ZINC000073695400 191343019 /nfs/dbraw/zinc/34/30/19/191343019.db2.gz YAQRJMBDCNTPNQ-UHFFFAOYSA-N 0 0 302.164 4.512 10 0 DJAERN CNc1ccc([C@@H](c2ccccc2)[C@@H](O)c2ccc(C)cc2)cc1 ZINC000005330863 181230153 /nfs/dbraw/zinc/23/01/53/181230153.db2.gz CLKPGMFWAJECHU-YADHBBJMSA-N 0 0 317.432 4.902 10 0 DJAERN Cc1ccc([C@H](Cc2ccccc2)n2nnc3ccccc32)s1 ZINC000005417814 181241213 /nfs/dbraw/zinc/24/12/13/181241213.db2.gz WECJFVYXWYBGMX-SFHVURJKSA-N 0 0 319.433 4.633 10 0 DJAERN Cc1ccc([C@@H](Cc2ccccc2)n2nnc3ccccc32)s1 ZINC000005417740 181241444 /nfs/dbraw/zinc/24/14/44/181241444.db2.gz WECJFVYXWYBGMX-GOSISDBHSA-N 0 0 319.433 4.633 10 0 DJAERN Clc1ccccc1CSc1ccc(-c2ccco2)nn1 ZINC000005442297 181243803 /nfs/dbraw/zinc/24/38/03/181243803.db2.gz LKOSTERMOFKRIQ-UHFFFAOYSA-N 0 0 302.786 4.682 10 0 DJAERN C[C@H]1CCC[C@H](C)N1C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000005529222 181253884 /nfs/dbraw/zinc/25/38/84/181253884.db2.gz YRZPCHSYCKQKAS-JONLBCGYSA-N 0 0 312.240 4.796 10 0 DJAERN CCc1cc(N[C@@H](C)c2ccc3ccccc3c2)c(=O)[nH]c1C ZINC000005887459 181292900 /nfs/dbraw/zinc/29/29/00/181292900.db2.gz UIRKDULWEZEACL-AWEZNQCLSA-N 0 0 306.409 4.572 10 0 DJAERN Cc1cc(C)n(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1 ZINC000005926093 181296331 /nfs/dbraw/zinc/29/63/31/181296331.db2.gz CHMOJPIHHYTKRN-SFHVURJKSA-N 0 0 322.433 4.674 10 0 DJAERN Cc1sc(N)c(C(=O)OC(C)C)c1-c1cccc(Cl)c1 ZINC000005921300 181296517 /nfs/dbraw/zinc/29/65/17/181296517.db2.gz OPVZTKOSJFKFRD-UHFFFAOYSA-N 0 0 309.818 4.524 10 0 DJAERN Cc1cc(C)n(C(=O)[C@H](Sc2ccccc2)c2ccccc2)n1 ZINC000005926084 181296842 /nfs/dbraw/zinc/29/68/42/181296842.db2.gz CHMOJPIHHYTKRN-GOSISDBHSA-N 0 0 322.433 4.674 10 0 DJAERN CC[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000006121883 181314157 /nfs/dbraw/zinc/31/41/57/181314157.db2.gz AGWNJFLXKMTPDD-KGXGESDWSA-N 0 0 312.240 4.798 10 0 DJAERN C/C(=C\c1ccccc1)C(=O)Nc1ccccc1C(F)(F)F ZINC000006301911 181327948 /nfs/dbraw/zinc/32/79/48/181327948.db2.gz AVTZDNRALLUBLF-VAWYXSNFSA-N 0 0 305.299 4.747 10 0 DJAERN O=C(COc1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000006336988 181331663 /nfs/dbraw/zinc/33/16/63/181331663.db2.gz HIUNBQYYMDUZKC-UHFFFAOYSA-N 0 0 315.583 4.909 10 0 DJAERN C/C(=C\c1ccccc1)C(=O)Nc1nc2ccc(C)cc2s1 ZINC000006521972 181348698 /nfs/dbraw/zinc/34/86/98/181348698.db2.gz DRBWEBHSVLAGQY-ACCUITESSA-N 0 0 308.406 4.647 10 0 DJAERN CC[C@H]1CC[C@H](c2ccc(I)cc2)CC1 ZINC000245204821 202513778 /nfs/dbraw/zinc/51/37/78/202513778.db2.gz HPXJRPSRURQYCC-HAQNSBGRSA-N 0 0 314.210 4.975 10 0 DJAERN CC(=O)c1cccc(NC(=S)Nc2ccccc2C(C)C)c1 ZINC000006541320 181352458 /nfs/dbraw/zinc/35/24/58/181352458.db2.gz XNKLLOMCQRQFFJ-UHFFFAOYSA-N 0 0 312.438 4.822 10 0 DJAERN Cc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000006614507 181361288 /nfs/dbraw/zinc/36/12/88/181361288.db2.gz OXSXIGVSQVMUKP-UHFFFAOYSA-N 0 0 312.756 4.556 10 0 DJAERN CC(C)(C)c1ccc(OCc2ccccc2)c(C(C)(C)CO)c1 ZINC000091301631 193035104 /nfs/dbraw/zinc/03/51/04/193035104.db2.gz YLTXIQKPVBXYLH-UHFFFAOYSA-N 0 0 312.453 4.833 10 0 DJAERN COc1cc(C)c2c(c1)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]21 ZINC000215690779 201467924 /nfs/dbraw/zinc/46/79/24/201467924.db2.gz LHXMMRGMJDCCPZ-SOMHSPELSA-N 0 0 314.469 4.611 10 0 DJAERN CC1=CCCC(C)=C[C@H](O)C[C@@](C)(O)C=C[C@H](C(C)C)CC1 ZINC000253991802 202907802 /nfs/dbraw/zinc/90/78/02/202907802.db2.gz RIVKDDXPCFBMOV-AABGKKOBSA-N 0 0 306.490 4.783 10 0 biogenic DJAERN CCOC(C[C@@H](c1ccc(Cl)cc1)c1ccccn1)OCC ZINC000263583790 203486041 /nfs/dbraw/zinc/48/60/41/203486041.db2.gz ALYLOUQYCVDQFS-INIZCTEOSA-N 0 0 319.832 4.656 10 0 DJAERN CC[C@@H](C)N1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1 ZINC000007885467 181504551 /nfs/dbraw/zinc/50/45/51/181504551.db2.gz SGHHNCYEQIIHSE-PXAZEXFGSA-N 0 0 314.816 4.705 10 0 DJAERN Cc1cc(C)cc(OC(=O)c2cc(C)nc3ccc(F)cc32)c1 ZINC000008549077 181563243 /nfs/dbraw/zinc/56/32/43/181563243.db2.gz OOKARUBBZZMMDZ-UHFFFAOYSA-N 0 0 309.340 4.518 10 0 DJAERN CC(C)CCOc1cccc(C(=O)Nc2ccc(F)cc2)c1 ZINC000008567707 181565271 /nfs/dbraw/zinc/56/52/71/181565271.db2.gz UGGUADYJVGEOOI-UHFFFAOYSA-N 0 0 301.361 4.503 10 0 DJAERN C[C@H](NC(=S)Nc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000013819536 181901721 /nfs/dbraw/zinc/90/17/21/181901721.db2.gz DSIJQPKJVNOPJE-IWUURBKTSA-N 0 0 314.498 4.578 10 0 DJAERN C[C@@H]1C[C@@H](C)CN(C(=S)Nc2cccc(Cl)c2Cl)C1 ZINC000013827244 181904036 /nfs/dbraw/zinc/90/40/36/181904036.db2.gz AYHUEGOPBSONIA-NXEZZACHSA-N 0 0 317.285 4.668 10 0 DJAERN CC[C@@H](C(=O)N[C@H](C)c1cccc(Cl)c1)c1ccccc1 ZINC000016018274 182029317 /nfs/dbraw/zinc/02/93/17/182029317.db2.gz MUZILJYTXQKTBN-CXAGYDPISA-N 0 0 301.817 4.711 10 0 DJAERN C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc2ccccc2c1 ZINC000017962627 182088084 /nfs/dbraw/zinc/08/80/84/182088084.db2.gz QSYIWVNMYWDQQD-CQSZACIVSA-N 0 0 314.388 4.812 10 0 DJAERN COc1ccccc1[C@@H](C)Nc1ccc(Br)cc1C ZINC000019905590 182162323 /nfs/dbraw/zinc/16/23/23/182162323.db2.gz WSIWHBWYBXRDLM-GFCCVEGCSA-N 0 0 320.230 4.939 10 0 DJAERN COc1ccc([C@H](C)Nc2ccc(Br)cc2F)cc1 ZINC000019908009 182163046 /nfs/dbraw/zinc/16/30/46/182163046.db2.gz IEWKGJZHTNCDJG-JTQLQIEISA-N 0 0 324.193 4.770 10 0 DJAERN COc1ccccc1[C@H](C)Nc1ccc(Br)c(C)c1 ZINC000019908099 182163096 /nfs/dbraw/zinc/16/30/96/182163096.db2.gz AOUMMKHVRKNFQB-LBPRGKRZSA-N 0 0 320.230 4.939 10 0 DJAERN Brc1ccccc1CNc1cccc2ncccc21 ZINC000019906901 182163135 /nfs/dbraw/zinc/16/31/35/182163135.db2.gz UWCYXARVCNKAEQ-UHFFFAOYSA-N 0 0 313.198 4.609 10 0 DJAERN Cc1cc(N[C@@H]2CCOc3ccccc32)ccc1Br ZINC000019908163 182163244 /nfs/dbraw/zinc/16/32/44/182163244.db2.gz ZKEXDRKYTNKJBO-OAHLLOKOSA-N 0 0 318.214 4.693 10 0 DJAERN Cc1cc(N[C@@H](C)c2ccc(O)cc2)ccc1Br ZINC000019908097 182163274 /nfs/dbraw/zinc/16/32/74/182163274.db2.gz CCTJFNKRUFBQQR-NSHDSACASA-N 0 0 306.203 4.636 10 0 DJAERN COc1cccc([C@H](C)Nc2ccccc2Br)c1 ZINC000019922699 182164267 /nfs/dbraw/zinc/16/42/67/182164267.db2.gz IQBCXCDJDMCNJA-NSHDSACASA-N 0 0 306.203 4.631 10 0 DJAERN COc1ccc([C@H](C)Nc2ccc(Br)cc2)cc1F ZINC000019923315 182165003 /nfs/dbraw/zinc/16/50/03/182165003.db2.gz GDZKPILPNFNAER-JTQLQIEISA-N 0 0 324.193 4.770 10 0 DJAERN C[C@@H](CCc1ccc(O)cc1)Nc1ccc(Br)cc1 ZINC000019923177 182165031 /nfs/dbraw/zinc/16/50/31/182165031.db2.gz XDRQBCLBYPWLPM-LBPRGKRZSA-N 0 0 320.230 4.588 10 0 DJAERN COc1ccc(C)cc1[C@H](C)Nc1ccc(Br)cc1 ZINC000019923236 182165181 /nfs/dbraw/zinc/16/51/81/182165181.db2.gz YGQPQXREGYTVPP-LBPRGKRZSA-N 0 0 320.230 4.939 10 0 DJAERN C[C@H](Nc1ccc(F)cc1F)c1ccccc1Br ZINC000019952036 182169189 /nfs/dbraw/zinc/16/91/89/182169189.db2.gz BGRMGCFATPBRTF-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN CCc1ccccc1Nc1ncnc2sc3c(c21)CCCC3 ZINC000019952467 182169484 /nfs/dbraw/zinc/16/94/84/182169484.db2.gz BJWARXNVSIWBQW-UHFFFAOYSA-N 0 0 309.438 4.876 10 0 DJAERN C[C@@H](Nc1ccc(F)cc1F)c1ccccc1Br ZINC000019952031 182169637 /nfs/dbraw/zinc/16/96/37/182169637.db2.gz BGRMGCFATPBRTF-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN C[C@@H]1CCc2c(sc3ncnc(Nc4ccccc4F)c23)C1 ZINC000019955027 182170295 /nfs/dbraw/zinc/17/02/95/182170295.db2.gz ATVZLUHNTNFJRK-SNVBAGLBSA-N 0 0 313.401 4.699 10 0 DJAERN Cc1sc2ncnc(Nc3cccc4c(O)cccc34)c2c1C ZINC000019959190 182170356 /nfs/dbraw/zinc/17/03/56/182170356.db2.gz UETGVKDLWJOAGD-UHFFFAOYSA-N 0 0 321.405 4.911 10 0 DJAERN CCc1cc2c(ncnc2Nc2cccc(SC)c2)s1 ZINC000019976134 182172159 /nfs/dbraw/zinc/17/21/59/182172159.db2.gz TXNXZXHJBUZGSV-UHFFFAOYSA-N 0 0 301.440 4.719 10 0 DJAERN C[C@H](Nc1cccc(Br)c1)c1ccc(F)c(F)c1 ZINC000019941839 182168187 /nfs/dbraw/zinc/16/81/87/182168187.db2.gz WGYRZCRCMJJCDX-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN C[C@@H](Nc1cccc(Br)c1)c1ccc(F)c(F)c1 ZINC000019941838 182168204 /nfs/dbraw/zinc/16/82/04/182168204.db2.gz WGYRZCRCMJJCDX-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN C[C@@H](Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(Cl)cc1 ZINC000020013313 182177614 /nfs/dbraw/zinc/17/76/14/182177614.db2.gz BFFZJLVDRWWRAD-SECBINFHSA-N 0 0 311.715 4.835 10 0 DJAERN C[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)c1ccccn1 ZINC000020014835 182178518 /nfs/dbraw/zinc/17/85/18/182178518.db2.gz NZLXWQDNENZTQH-SECBINFHSA-N 0 0 300.711 4.927 10 0 DJAERN COc1ccc(Cl)cc1N[C@@H](C)c1cc(C)ccc1OC ZINC000020015650 182178532 /nfs/dbraw/zinc/17/85/32/182178532.db2.gz RYYLGIQZAQYODE-LBPRGKRZSA-N 0 0 305.805 4.839 10 0 DJAERN Cc1ccc(C)c(NCc2ccc(F)c(Br)c2)c1 ZINC000020023025 182179736 /nfs/dbraw/zinc/17/97/36/182179736.db2.gz PLVQEKMTSGNEJU-UHFFFAOYSA-N 0 0 308.194 4.817 10 0 DJAERN Clc1cccc(NCc2ccc(Br)o2)c1Cl ZINC000020245752 182200473 /nfs/dbraw/zinc/20/04/73/182200473.db2.gz OGNOCCGHEYTPLC-UHFFFAOYSA-N 0 0 321.001 4.961 10 0 DJAERN COc1cccc([C@@H](C)Nc2ccc(F)cc2Br)c1 ZINC000020430495 182216278 /nfs/dbraw/zinc/21/62/78/182216278.db2.gz ZYOWPIAQMNSZMZ-SNVBAGLBSA-N 0 0 324.193 4.770 10 0 DJAERN COc1cccc([C@H](C)Nc2ccc(F)cc2Br)c1 ZINC000020430496 182216548 /nfs/dbraw/zinc/21/65/48/182216548.db2.gz ZYOWPIAQMNSZMZ-JTQLQIEISA-N 0 0 324.193 4.770 10 0 DJAERN Cc1ccc(C(=O)c2oc3ccc(Br)cc3c2C)o1 ZINC000020592623 182235925 /nfs/dbraw/zinc/23/59/25/182235925.db2.gz DBFPERPUNOWNQJ-UHFFFAOYSA-N 0 0 319.154 4.636 10 0 DJAERN Cc1c2ccccc2oc1[C@H](N)c1ccc(Br)cc1 ZINC000020592935 182236064 /nfs/dbraw/zinc/23/60/64/182236064.db2.gz GSSOGVXISXCODJ-OAHLLOKOSA-N 0 0 316.198 4.552 10 0 DJAERN Fc1ccc(C2=Nc3ccccc3N=C(c3ccccc3)N2)cc1 ZINC000020868446 182250888 /nfs/dbraw/zinc/25/08/88/182250888.db2.gz XKGZQLJIURIDJZ-UHFFFAOYSA-N 0 0 315.351 4.776 10 0 DJAERN FC(F)(F)c1ccc(-c2nc(Cl)c3ccccc3n2)cc1 ZINC000021503175 182275752 /nfs/dbraw/zinc/27/57/52/182275752.db2.gz GHRPXXXRZYEBAL-UHFFFAOYSA-N 0 0 308.690 4.969 10 0 DJAERN Brc1ccc(Oc2nc3ccccc3s2)cc1 ZINC000021511961 182276715 /nfs/dbraw/zinc/27/67/15/182276715.db2.gz CQMMMYCXMMPGQE-UHFFFAOYSA-N 0 0 306.184 4.851 10 0 DJAERN COc1ccc(CNc2cc(Cl)cc(Cl)c2)c(OC)c1 ZINC000021808704 182292167 /nfs/dbraw/zinc/29/21/67/182292167.db2.gz HCDLLTBHUWYCKJ-UHFFFAOYSA-N 0 0 312.196 4.623 10 0 DJAERN COc1cc(C)c(/C=C/C=C/c2cc(C)cc(=O)o2)c(C)c1C ZINC000022062396 182307414 /nfs/dbraw/zinc/30/74/14/182307414.db2.gz COKYISJYWLHYQF-CDJQDVQCSA-N 0 0 310.393 4.609 10 0 in-vitro DJAERN CCCCN(C)C(=O)c1ccc(-c2ccc(F)c(F)c2)s1 ZINC000022338379 182319704 /nfs/dbraw/zinc/31/97/04/182319704.db2.gz IUMVOXUPOSJMHG-UHFFFAOYSA-N 0 0 309.381 4.565 10 0 DJAERN CCCCCCOC1=C(C)[C@H](C)[C@](O)(C(=O)C(C)(C)C)C(C)=C1 ZINC000098091783 193784427 /nfs/dbraw/zinc/78/44/27/193784427.db2.gz RXOMOAXBAKEFHQ-JXFKEZNVSA-N 0 0 322.489 4.800 10 0 DJAERN C[C@@H](Sc1ccccc1Cl)C(=O)c1ccc(F)cc1F ZINC000035046903 182748846 /nfs/dbraw/zinc/74/88/46/182748846.db2.gz QJDVOXMNNGZXRJ-SECBINFHSA-N 0 0 312.768 4.982 10 0 DJAERN COc1cccc2c(Br)cc(-c3ccccc3)nc12 ZINC000036075435 182794560 /nfs/dbraw/zinc/79/45/60/182794560.db2.gz MGDZSQUNIGMNFH-UHFFFAOYSA-N 0 0 314.182 4.673 10 0 DJAERN CCCc1cc(Br)c2c(OC)ccc(Cl)c2n1 ZINC000036075751 182795234 /nfs/dbraw/zinc/79/52/34/182795234.db2.gz KDBXKSJQRUWXQL-UHFFFAOYSA-N 0 0 314.610 4.612 10 0 DJAERN CCC(=O)c1ccc(-c2cc(Br)ccc2F)s1 ZINC000036752964 182841624 /nfs/dbraw/zinc/84/16/24/182841624.db2.gz DKWYKHOHUASQBS-UHFFFAOYSA-N 0 0 313.191 4.909 10 0 DJAERN Cc1cc([C@H](C)Nc2cc(Br)ccc2F)c(C)o1 ZINC000036750587 182840301 /nfs/dbraw/zinc/84/03/01/182840301.db2.gz CDHXGZNHQDBPFP-VIFPVBQESA-N 0 0 312.182 4.971 10 0 DJAERN Cc1ccc(N[C@H]2CCc3ccccc3C2)c(Br)c1 ZINC000037189015 182871628 /nfs/dbraw/zinc/87/16/28/182871628.db2.gz FCQMIKRUIUEWRA-HNNXBMFYSA-N 0 0 316.242 4.727 10 0 DJAERN C[C@@H]1CCCC[C@H]1OCC(=O)c1cc(Cl)ccc1Cl ZINC000037652306 182917777 /nfs/dbraw/zinc/91/77/77/182917777.db2.gz MEFYHEDGPINOLI-MEBBXXQBSA-N 0 0 301.213 4.771 10 0 DJAERN C[C@@H](Nc1ccc(F)cc1F)c1ccc(Br)s1 ZINC000038001780 182958267 /nfs/dbraw/zinc/95/82/67/182958267.db2.gz QOVAQKKFHAMSTC-SSDOTTSWSA-N 0 0 318.186 4.962 10 0 DJAERN CCN(c1ccc2ccccc2c1)[C@H]1OC(=O)c2ccccc21 ZINC000039126715 183014534 /nfs/dbraw/zinc/01/45/34/183014534.db2.gz MPXNXDSCIPCDOI-IBGZPJMESA-N 0 0 303.361 4.535 10 0 DJAERN Cc1cc(C)c2nc(C)cc(NC(=O)c3ccccc3F)c2c1 ZINC000040177070 183043931 /nfs/dbraw/zinc/04/39/31/183043931.db2.gz WRCKTYSODUFQPF-UHFFFAOYSA-N 0 0 308.356 4.551 10 0 DJAERN COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)cc1 ZINC000040178689 183044483 /nfs/dbraw/zinc/04/44/83/183044483.db2.gz OKGFFTIAFYLISX-UHFFFAOYSA-N 0 0 321.376 4.824 10 0 DJAERN Cc1nc2ccccc2n1CCCCOc1cc(C)cc(C)c1 ZINC000040224733 183046998 /nfs/dbraw/zinc/04/69/98/183046998.db2.gz TZQWCHKWBWGTQJ-UHFFFAOYSA-N 0 0 308.425 4.821 10 0 DJAERN CCc1nc2ccccc2n1CCCOc1cccc(C)c1C ZINC000040227387 183047555 /nfs/dbraw/zinc/04/75/55/183047555.db2.gz CBVWQQLLHPTOBI-UHFFFAOYSA-N 0 0 308.425 4.685 10 0 DJAERN CCc1nc2ccccc2n1CCCOc1ccc(CC)cc1 ZINC000040227427 183047609 /nfs/dbraw/zinc/04/76/09/183047609.db2.gz CWIKPIJAEHOYCY-UHFFFAOYSA-N 0 0 308.425 4.630 10 0 DJAERN CCc1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 ZINC000040227378 183048131 /nfs/dbraw/zinc/04/81/31/183048131.db2.gz JXGKIMJGEFKOJA-UHFFFAOYSA-N 0 0 322.452 4.975 10 0 DJAERN COCCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 ZINC000040238597 183048837 /nfs/dbraw/zinc/04/88/37/183048837.db2.gz YANLYYKUKNNIER-DHZHZOJOSA-N 0 0 312.800 4.507 10 0 DJAERN c1coc(-c2nc3ccccc3n2CCCc2ccccc2)c1 ZINC000040239001 183048874 /nfs/dbraw/zinc/04/88/74/183048874.db2.gz IFXYHSVXCVRCGC-UHFFFAOYSA-N 0 0 302.377 4.929 10 0 DJAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(Cl)c(Cl)c2)c(N)c1 ZINC000040354690 183056296 /nfs/dbraw/zinc/05/62/96/183056296.db2.gz XTZPPZBQHZETSK-SNVBAGLBSA-N 0 0 324.207 4.534 10 0 DJAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(C)c3ccccc23)c(N)c1 ZINC000040354782 183056492 /nfs/dbraw/zinc/05/64/92/183056492.db2.gz RHWGUNLHLUZSJB-OAHLLOKOSA-N 0 0 319.404 4.689 10 0 DJAERN CCOCCCn1c2ccc(C(F)(F)F)cc2nc1C(C)C ZINC000040403041 183061454 /nfs/dbraw/zinc/06/14/54/183061454.db2.gz HZAGRHIDKDQANG-UHFFFAOYSA-N 0 0 314.351 4.605 10 0 DJAERN CN(c1ccc(Cl)cc1)c1nc(Cl)nc2ccccc21 ZINC000040860458 183143783 /nfs/dbraw/zinc/14/37/83/183143783.db2.gz XYRVBFJQGKLWQK-UHFFFAOYSA-N 0 0 304.180 4.705 10 0 DJAERN CCOc1ccccc1/C=C/C(=O)Nc1ccc(C(C)C)cc1 ZINC000040950142 183150514 /nfs/dbraw/zinc/15/05/14/183150514.db2.gz ASOZLSISHUAMHD-SDNWHVSQSA-N 0 0 309.409 4.861 10 0 DJAERN COc1ccc(-c2cn3c(n2)sc2ccc(C)c(C)c23)cc1 ZINC000040964593 183152220 /nfs/dbraw/zinc/15/22/20/183152220.db2.gz GOHMHKLESOZOLQ-UHFFFAOYSA-N 0 0 308.406 4.841 10 0 DJAERN CCCCCCc1nn2cc(-c3ccc(OC)cc3)nc2s1 ZINC000040963741 183152286 /nfs/dbraw/zinc/15/22/86/183152286.db2.gz LKJUPMZMFWNSAN-UHFFFAOYSA-N 0 0 315.442 4.589 10 0 DJAERN COc1cccc2sc3nc(-c4ccc(C)cc4)c(C)n3c21 ZINC000040964649 183152294 /nfs/dbraw/zinc/15/22/94/183152294.db2.gz RXGPEMPRYXJYDL-UHFFFAOYSA-N 0 0 308.406 4.841 10 0 DJAERN CCOc1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000040964310 183152421 /nfs/dbraw/zinc/15/24/21/183152421.db2.gz SQIANPSPWUMFIQ-UHFFFAOYSA-N 0 0 312.369 4.754 10 0 DJAERN CCCSc1nn2cc(-c3cc(C)ccc3C)nc2s1 ZINC000040965219 183152427 /nfs/dbraw/zinc/15/24/27/183152427.db2.gz KVSNUYKAEJPPIE-UHFFFAOYSA-N 0 0 303.456 4.577 10 0 DJAERN Cc1cccc2c(Nc3ccc(C(=O)OC(C)C)cc3)ccnc12 ZINC000041055203 183159580 /nfs/dbraw/zinc/15/95/80/183159580.db2.gz MARFJTGGQFHXIX-UHFFFAOYSA-N 0 0 320.392 4.852 10 0 DJAERN Cc1cc(C)c(C)c(OCC(=O)Nc2ccc3ccccc3c2)c1 ZINC000040868592 183145502 /nfs/dbraw/zinc/14/55/02/183145502.db2.gz WGWODAMBJGKZJW-UHFFFAOYSA-N 0 0 319.404 4.783 10 0 DJAERN OC[C@H](Cc1ccccc1Cl)Cc1c(F)cccc1Cl ZINC000041564652 183202979 /nfs/dbraw/zinc/20/29/79/183202979.db2.gz LCIJTXWFBAGIMK-LLVKDONJSA-N 0 0 313.199 4.526 10 0 DJAERN Clc1cc(Cl)c2c(Br)c(Cl)cnc2c1 ZINC000041702046 183217612 /nfs/dbraw/zinc/21/76/12/183217612.db2.gz ZCSJURKSFUBCKG-UHFFFAOYSA-N 0 0 311.393 4.958 10 0 DJAERN Clc1cc2ncc(Br)c(Cl)c2cc1Cl ZINC000041702473 183217686 /nfs/dbraw/zinc/21/76/86/183217686.db2.gz ZSQHOOFOPAMIKM-UHFFFAOYSA-N 0 0 311.393 4.958 10 0 DJAERN Clc1ccc2c(Br)c(Cl)cnc2c1Cl ZINC000041702078 183217764 /nfs/dbraw/zinc/21/77/64/183217764.db2.gz ZLAUTPAHJOZMJO-UHFFFAOYSA-N 0 0 311.393 4.958 10 0 DJAERN Clc1ccc2c(Cl)c(Br)cnc2c1Cl ZINC000041702488 183217431 /nfs/dbraw/zinc/21/74/31/183217431.db2.gz CFHCKAZQSHZMCU-UHFFFAOYSA-N 0 0 311.393 4.958 10 0 DJAERN C[C@@H](N(C)CC(=O)c1cc(Cl)sc1Cl)C(C)(C)C ZINC000042774093 183306891 /nfs/dbraw/zinc/30/68/91/183306891.db2.gz KPIPGTAUPFFTGU-MRVPVSSYSA-N 0 0 308.274 4.604 10 0 DJAERN C[C@H](N(C)CC(=O)c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000042773777 183306953 /nfs/dbraw/zinc/30/69/53/183306953.db2.gz JEZQJXIGVMOPOT-JTQLQIEISA-N 0 0 302.245 4.543 10 0 DJAERN Cc1ccc(SCc2cc(Br)cs2)c(N)c1 ZINC000043687596 183381026 /nfs/dbraw/zinc/38/10/26/183381026.db2.gz PGKWOPUGZAZMQT-UHFFFAOYSA-N 0 0 314.273 4.694 10 0 DJAERN FC(F)(F)c1cccc(-c2nc(Br)cs2)c1 ZINC000044119680 183395042 /nfs/dbraw/zinc/39/50/42/183395042.db2.gz MAMSNTGBSXYYLD-UHFFFAOYSA-N 0 0 308.122 4.591 10 0 DJAERN O=C1O[C@@H](N(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000047135627 183581600 /nfs/dbraw/zinc/58/16/00/183581600.db2.gz IJDRTUGMWBHNGX-LJQANCHMSA-N 0 0 301.345 4.694 10 0 DJAERN Cc1cc(N[C@H](C)c2ccc(Cl)cc2Cl)nc(Cl)n1 ZINC000052814221 183875167 /nfs/dbraw/zinc/87/51/67/183875167.db2.gz YLYDANPFCQWBBW-MRVPVSSYSA-N 0 0 316.619 4.918 10 0 DJAERN Clc1ccc(SCc2nc(Cl)cc(Cl)n2)cc1 ZINC000058049196 184071202 /nfs/dbraw/zinc/07/12/02/184071202.db2.gz CGTBBOKHPCDUAH-UHFFFAOYSA-N 0 0 305.617 4.729 10 0 DJAERN Clc1cc(Cl)nc(Cc2c(Cl)cccc2Cl)n1 ZINC000058049153 184071244 /nfs/dbraw/zinc/07/12/44/184071244.db2.gz GTQXMKZCSNYACK-UHFFFAOYSA-N 0 0 307.995 4.681 10 0 DJAERN C[C@H](CCNc1ccc(Br)cc1N)c1ccccc1 ZINC000061910189 184194714 /nfs/dbraw/zinc/19/47/14/184194714.db2.gz NQIBMNIEVINNQW-GFCCVEGCSA-N 0 0 319.246 4.637 10 0 DJAERN C[C@H](CCNc1ccc(N)cc1Br)c1ccccc1 ZINC000061910181 184194780 /nfs/dbraw/zinc/19/47/80/184194780.db2.gz OKBGSADUULRQJC-GFCCVEGCSA-N 0 0 319.246 4.637 10 0 DJAERN O[C@H](Cc1c(F)cccc1Cl)c1c(F)cccc1Cl ZINC000062138009 184208507 /nfs/dbraw/zinc/20/85/07/184208507.db2.gz SMTGHTOCPHGYNC-CYBMUJFWSA-N 0 0 303.135 4.548 10 0 DJAERN O[C@@H](Cc1c(F)cccc1Cl)c1ccc(F)c(Cl)c1 ZINC000062791852 184253076 /nfs/dbraw/zinc/25/30/76/184253076.db2.gz WCHZEFHRPGQBSS-AWEZNQCLSA-N 0 0 303.135 4.548 10 0 DJAERN O[C@H](Cc1sccc1Br)c1cc2ccccc2o1 ZINC000062797439 184253654 /nfs/dbraw/zinc/25/36/54/184253654.db2.gz YVQWACWJOZWAKO-LLVKDONJSA-N 0 0 323.211 4.533 10 0 DJAERN CCc1ccc2nccc(Nc3ccc(OC)cc3OC)c2c1 ZINC000065005400 184308429 /nfs/dbraw/zinc/30/84/29/184308429.db2.gz UDGXUEWDJLFPNZ-UHFFFAOYSA-N 0 0 308.381 4.558 10 0 DJAERN Oc1cc(Br)cc(-c2cc(F)cc(Cl)c2)c1 ZINC000065343864 184325678 /nfs/dbraw/zinc/32/56/78/184325678.db2.gz QSELJQZBQWUBDG-UHFFFAOYSA-N 0 0 301.542 4.614 10 0 DJAERN COc1ccc(-c2cc(O)cc(Cl)c2)cc1C(F)(F)F ZINC000065343653 184325776 /nfs/dbraw/zinc/32/57/76/184325776.db2.gz ULXISYXLKFFOIN-UHFFFAOYSA-N 0 0 302.679 4.740 10 0 DJAERN COc1ccc(Cl)c(-c2cc(O)cc(C(F)(F)F)c2)c1 ZINC000065344305 184326250 /nfs/dbraw/zinc/32/62/50/184326250.db2.gz REWRUMZYHMSXPX-UHFFFAOYSA-N 0 0 302.679 4.740 10 0 DJAERN Cc1ccc(-c2nc3ccc(Br)cc3s2)cc1N ZINC000093426882 256548965 /nfs/dbraw/zinc/54/89/65/256548965.db2.gz HQJVEXGJZTUWFE-UHFFFAOYSA-N 0 0 319.227 4.616 10 0 DJAERN CCCCCOC(=O)c1ccccc1C(=O)O[C@@H](C)[C@H](C)CC ZINC000504569158 257144179 /nfs/dbraw/zinc/14/41/79/257144179.db2.gz QCVVHVRKVMXOGS-CABCVRRESA-N 0 0 320.429 4.625 10 0 DJAERN C[C@H]1CCCCN1c1cc(-c2ccccn2)nc2ccccc21 ZINC000029464949 134673654 /nfs/dbraw/zinc/67/36/54/134673654.db2.gz YLLJLGHEOVKAJE-HNNXBMFYSA-N 0 0 303.409 4.676 10 0 DJAERN Cc1nn(-c2ccccc2)c2c1[C@@H](c1c[nH]c3ccccc31)S2 ZINC000016266270 262502790 /nfs/dbraw/zinc/50/27/90/262502790.db2.gz XBLKMPCSEANWQD-GOSISDBHSA-N 0 0 317.417 4.857 10 0 DJAERN Cc1ccc([C@H](C)NC(=O)c2cccc(C(F)F)c2)cc1F ZINC000176214395 332927628 /nfs/dbraw/zinc/92/76/28/332927628.db2.gz HCDQPNPYNAYVNB-NSHDSACASA-N 0 0 307.315 4.563 10 0 DJAERN C[C@H](Nc1ccc(C(F)(F)F)cn1)c1ccccc1Cl ZINC000042255755 332240231 /nfs/dbraw/zinc/24/02/31/332240231.db2.gz CXVOLGHTKAHFSY-VIFPVBQESA-N 0 0 300.711 4.927 10 0 DJAERN CCc1cnc(CN[C@@H](c2ccccc2)c2ccccc2C)s1 ZINC000180655855 333028510 /nfs/dbraw/zinc/02/85/10/333028510.db2.gz VHLPRVVQHKRCIX-FQEVSTJZSA-N 0 0 322.477 4.893 10 0 DJAERN Cc1cc([C@H](C)NC(=O)N2CCC[C@H]2c2ccco2)c(C)s1 ZINC000116418114 335895853 /nfs/dbraw/zinc/89/58/53/335895853.db2.gz GRXDHARIEGTVJE-WFASDCNBSA-N 0 0 318.442 4.566 10 0 DJAERN Cc1cc(C)cc([C@H](C)NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116430932 335896120 /nfs/dbraw/zinc/89/61/20/335896120.db2.gz YUKBDFGZYZPIQA-RDJZCZTQSA-N 0 0 312.413 4.504 10 0 DJAERN COc1ccc(CCOC(=O)CCCC2CCCCC2)cc1 ZINC000583652916 336025101 /nfs/dbraw/zinc/02/51/01/336025101.db2.gz BVQOAFLPFSFXDX-UHFFFAOYSA-N 0 0 304.430 4.532 10 0 DJAERN Cc1noc(C)c1[C@H](C)Cc1nc(C2C[C@@H](C)C[C@H](C)C2)no1 ZINC000329728837 336071138 /nfs/dbraw/zinc/07/11/38/336071138.db2.gz PBPKQSNGIKGKLM-SDDRHHMPSA-N 0 0 317.433 4.560 10 0 DJAERN CSc1ccc(N[C@H](C)c2cccc(Cl)c2Cl)nn1 ZINC000301268831 336297764 /nfs/dbraw/zinc/29/77/64/336297764.db2.gz GFNBKUIGFYVKOH-MRVPVSSYSA-N 0 0 314.241 4.678 10 0 DJAERN Cc1ccc([C@H]2C[C@@H](C)CCN2c2ncnc3sccc32)o1 ZINC000301413451 336305166 /nfs/dbraw/zinc/30/51/66/336305166.db2.gz AZBQYAPJLKEJLL-SMDDNHRTSA-N 0 0 313.426 4.570 10 0 DJAERN CCc1cnc([C@@H](C)Nc2cc[nH+]c3cc(F)ccc23)s1 ZINC000301587519 336316676 /nfs/dbraw/zinc/31/66/76/336316676.db2.gz WNURQPLMXGLECQ-SNVBAGLBSA-N 0 0 301.390 4.566 10 0 DJAERN C[C@@H](Nc1c(F)c(F)nc(F)c1F)c1ccc(F)c(Cl)c1 ZINC000301624216 336319024 /nfs/dbraw/zinc/31/90/24/336319024.db2.gz ZHQNGQLJUQXYLT-RXMQYKEDSA-N 0 0 322.664 4.604 10 0 DJAERN CCc1cnc([C@@H](C)Nc2cc(C)nc3c(F)cccc23)s1 ZINC000301666723 336322027 /nfs/dbraw/zinc/32/20/27/336322027.db2.gz LXFGPOGUJDEKLD-LLVKDONJSA-N 0 0 315.417 4.874 10 0 DJAERN C[C@H](Nc1cncc(SCc2ccccc2)n1)c1ccco1 ZINC000301771629 336328836 /nfs/dbraw/zinc/32/88/36/336328836.db2.gz LANNRPGROKHFQR-ZDUSSCGKSA-N 0 0 311.410 4.535 10 0 DJAERN Cc1cc2c(ncnc2N[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000301860263 336334601 /nfs/dbraw/zinc/33/46/01/336334601.db2.gz DJLHYXNDUHVFML-VHSXEESVSA-N 0 0 315.364 4.533 10 0 DJAERN Cc1cc2c(ncnc2N[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000301860264 336334700 /nfs/dbraw/zinc/33/47/00/336334700.db2.gz DJLHYXNDUHVFML-ZJUUUORDSA-N 0 0 315.364 4.533 10 0 DJAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2c2nc(C(C)C)ns2)o1 ZINC000301968711 336340381 /nfs/dbraw/zinc/34/03/81/336340381.db2.gz YWYZXXVNQQUUIE-AAEUAGOBSA-N 0 0 305.447 4.541 10 0 DJAERN O=C(c1cc(Cl)sc1Cl)N1CCC[C@H]1c1ccco1 ZINC000116043472 336830443 /nfs/dbraw/zinc/83/04/43/336830443.db2.gz BXTKNGWIOOQTAN-VIFPVBQESA-N 0 0 316.209 4.625 10 0 DJAERN Cc1ccc(Cl)c(NC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000120747981 336920483 /nfs/dbraw/zinc/92/04/83/336920483.db2.gz GIKSPRFLBXIAEY-CQSZACIVSA-N 0 0 304.777 4.610 10 0 DJAERN COc1ccc([C@H](C)Nc2cccc(-c3cnco3)c2)cc1F ZINC000193911513 337080591 /nfs/dbraw/zinc/08/05/91/337080591.db2.gz VEMHDWKBQKYABE-LBPRGKRZSA-N 0 0 312.344 4.662 10 0 DJAERN CCCCC[C@@H](C)CC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000173053083 337133257 /nfs/dbraw/zinc/13/32/57/337133257.db2.gz UIZCKOZVNDLUJU-HUUCEWRRSA-N 0 0 308.491 4.803 10 0 DJAERN CCCCC[C@H](C)CC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000173053089 337133333 /nfs/dbraw/zinc/13/33/33/337133333.db2.gz UIZCKOZVNDLUJU-LSDHHAIUSA-N 0 0 308.491 4.803 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(F)cc2F)o1 ZINC000173197640 337133539 /nfs/dbraw/zinc/13/35/39/337133539.db2.gz ALYHCVVCGSAAJZ-OAHLLOKOSA-N 0 0 320.339 4.625 10 0 DJAERN CCCCCC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173950783 337137887 /nfs/dbraw/zinc/13/78/87/337137887.db2.gz LAOKYRDGEVECAS-CQSZACIVSA-N 0 0 308.491 4.553 10 0 DJAERN CC[C@@H](N[C@H]1CCOc2ccccc21)c1cc(F)ccc1F ZINC000178273298 337161811 /nfs/dbraw/zinc/16/18/11/337161811.db2.gz OUQZNGLAUNJWOB-SJORKVTESA-N 0 0 303.352 4.529 10 0 DJAERN CC[C@H](N[C@@H]1CCOc2ccccc21)c1cc(F)ccc1F ZINC000178273255 337161850 /nfs/dbraw/zinc/16/18/50/337161850.db2.gz OUQZNGLAUNJWOB-DLBZAZTESA-N 0 0 303.352 4.529 10 0 DJAERN c1ccc([C@H]([NH2+][C@H]2CCCc3ccccc32)c2cccnc2)cc1 ZINC000178612819 337165407 /nfs/dbraw/zinc/16/54/07/337165407.db2.gz UIBDAHIQKFRILK-VXKWHMMOSA-N 0 0 314.432 4.838 10 0 DJAERN CC[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(OC)cc1 ZINC000179810403 337171844 /nfs/dbraw/zinc/17/18/44/337171844.db2.gz DHLMKPZEXSMHFM-SFHVURJKSA-N 0 0 324.424 4.533 10 0 DJAERN CC(C)n1ccnc1CNc1c(F)cc(Cl)cc1Cl ZINC000180870266 337178241 /nfs/dbraw/zinc/17/82/41/337178241.db2.gz LMJFDABPZYSABP-UHFFFAOYSA-N 0 0 302.180 4.522 10 0 DJAERN C[C@@H]1C[C@@H](C(=O)N2CCCC[C@@H]2c2nccs2)CC(C)(C)C1 ZINC000180802739 337180001 /nfs/dbraw/zinc/18/00/01/337180001.db2.gz OAJMZUFOCMETIW-RBSFLKMASA-N 0 0 320.502 4.659 10 0 DJAERN C[C@H](NCc1ncc(-c2cccc(Cl)c2)o1)c1cccs1 ZINC000181895356 337185192 /nfs/dbraw/zinc/18/51/92/337185192.db2.gz JSKGFDMZXHTHHG-NSHDSACASA-N 0 0 318.829 4.907 10 0 DJAERN CC[C@@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1cccs1 ZINC000184034120 337194637 /nfs/dbraw/zinc/19/46/37/337194637.db2.gz BMMWSOMISNEPAD-GXTWGEPZSA-N 0 0 313.426 4.600 10 0 DJAERN CC[C@H](N[C@H](C)c1nc(-c2ccccc2)no1)c1cccs1 ZINC000184044005 337196996 /nfs/dbraw/zinc/19/69/96/337196996.db2.gz AOUXEGQQRCTQDJ-OCCSQVGLSA-N 0 0 313.426 4.600 10 0 DJAERN Cc1cc(C)cc([C@@H](C)NCc2ncc(-c3ccccc3)cn2)c1 ZINC000186060307 337253292 /nfs/dbraw/zinc/25/32/92/337253292.db2.gz GOITXTRHEVSALO-QGZVFWFLSA-N 0 0 317.436 4.611 10 0 DJAERN Cc1cccc2c1[C@H](C)C[C@H]2Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186537016 337257355 /nfs/dbraw/zinc/25/73/55/337257355.db2.gz UVKPVUSUIHOSMA-FZKQIMNGSA-N 0 0 321.424 4.633 10 0 DJAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1cc2ccccc2o1 ZINC000186529451 337257386 /nfs/dbraw/zinc/25/73/86/337257386.db2.gz HDJQGYOPOXQNTB-GFCCVEGCSA-N 0 0 321.380 4.583 10 0 DJAERN Cc1nc([C@@H]2CCCN2C(=O)C[C@H](C)C2CCCCC2)cs1 ZINC000187105163 337262553 /nfs/dbraw/zinc/26/25/53/337262553.db2.gz UZFBQRXEJOHYTC-GUYCJALGSA-N 0 0 320.502 4.722 10 0 DJAERN COc1ccccc1-c1n[nH]cc1Oc1ccc(Cl)cc1 ZINC000584619710 337370550 /nfs/dbraw/zinc/37/05/50/337370550.db2.gz ZCBHQSCCIJPOGT-UHFFFAOYSA-N 0 0 300.745 4.531 10 0 DJAERN O=C1C[C@@H](C23CC4CC(CC(C4)C2)C3)Sc2ccccc2N1 ZINC000584615777 337372732 /nfs/dbraw/zinc/37/27/32/337372732.db2.gz FDIDEPXZOJFMRM-AFRKLYKTSA-N 0 0 313.466 4.706 10 0 DJAERN CCN(CC)c1ccc(OC(=O)c2ccccc2C(C)C)cc1 ZINC000584597479 337374499 /nfs/dbraw/zinc/37/44/99/337374499.db2.gz HBWQXWLVPIWSQG-UHFFFAOYSA-N 0 0 311.425 4.875 10 0 DJAERN CCOC(=O)c1cc(Oc2ccc(C)cc2)c2ccccc2n1 ZINC000584629193 337376397 /nfs/dbraw/zinc/37/63/97/337376397.db2.gz AKRUBACQRSZIPW-UHFFFAOYSA-N 0 0 307.349 4.512 10 0 DJAERN Fc1cccc(-c2sc3cccnc3c2Br)c1 ZINC000584631159 337377075 /nfs/dbraw/zinc/37/70/75/337377075.db2.gz XROXHFNAJUHLRJ-UHFFFAOYSA-N 0 0 308.175 4.865 10 0 DJAERN O=C(Cc1ccc(Br)cc1)c1cc2ccccc2o1 ZINC000038125960 337377153 /nfs/dbraw/zinc/37/71/53/337377153.db2.gz HTCGDAZAHJRHSC-UHFFFAOYSA-N 0 0 315.166 4.621 10 0 DJAERN CCOC(=O)c1c(N)scc1-c1ccccc1-c1ccccc1 ZINC000584654391 337377743 /nfs/dbraw/zinc/37/77/43/337377743.db2.gz DJEYYTUCTOWQNR-UHFFFAOYSA-N 0 0 323.417 4.841 10 0 DJAERN Brc1ccc(-c2cc(-c3cccs3)no2)cc1 ZINC000584637236 337379404 /nfs/dbraw/zinc/37/94/04/337379404.db2.gz NANLMOBKWFYKAO-UHFFFAOYSA-N 0 0 306.184 4.833 10 0 DJAERN Oc1ccc(Br)cc1-c1nc2cc(Cl)ccc2o1 ZINC000584638339 337379500 /nfs/dbraw/zinc/37/95/00/337379500.db2.gz PEADODMECRBZHF-UHFFFAOYSA-N 0 0 324.561 4.616 10 0 DJAERN Nc1[nH]c2c(ncnc2C2=CCCCC2)c1Sc1ccccc1 ZINC000584639030 337379703 /nfs/dbraw/zinc/37/97/03/337379703.db2.gz VERJSMGAYFOTQV-UHFFFAOYSA-N 0 0 322.437 4.649 10 0 DJAERN c1cc2ncnc(Oc3ccc(Oc4ccccc4)cc3)c2[nH]1 ZINC000584639028 337379730 /nfs/dbraw/zinc/37/97/30/337379730.db2.gz UYEDZZGCKDTSRB-UHFFFAOYSA-N 0 0 303.321 4.543 10 0 DJAERN OCc1ccc(OCCCCCc2ccccc2)c2cccnc12 ZINC000584640655 337379937 /nfs/dbraw/zinc/37/99/37/337379937.db2.gz LMTRTMJWKOPZJK-UHFFFAOYSA-N 0 0 321.420 4.519 10 0 DJAERN NC(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000584641759 337380113 /nfs/dbraw/zinc/38/01/13/337380113.db2.gz AFHWOVPHEXQVLA-UHFFFAOYSA-N 0 0 316.571 4.538 10 0 DJAERN Cc1ccc2[nH]c(NC(=O)Nc3cccc4ccccc43)nc2c1 ZINC000584649951 337380651 /nfs/dbraw/zinc/38/06/51/337380651.db2.gz FOZFXUWGNYYRRX-UHFFFAOYSA-N 0 0 316.364 4.669 10 0 DJAERN O=C(Nc1cccc(C(F)F)c1)N1CCC[C@H]1c1ccco1 ZINC000116495925 337392773 /nfs/dbraw/zinc/39/27/73/337392773.db2.gz QXRWKGLIIZXATG-ZDUSSCGKSA-N 0 0 306.312 4.586 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2csc(C(C)C)n2)o1 ZINC000127914346 337423239 /nfs/dbraw/zinc/42/32/39/337423239.db2.gz MYQLVKFFXWVPRV-AWEZNQCLSA-N 0 0 318.442 4.535 10 0 DJAERN COC1=CCC2=C(C1)C[C@H](C)[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000504215463 340143108 /nfs/dbraw/zinc/14/31/08/340143108.db2.gz IPJVMXOAIRAKHC-MRAULBJFSA-N 0 0 300.442 4.659 10 0 DJAERN CC(=O)Nc1ccc(N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1Cl ZINC000036983168 340726357 /nfs/dbraw/zinc/72/63/57/340726357.db2.gz ZSDAPFDPVYZTTP-RISCZKNCSA-N 0 0 308.853 4.925 10 0 DJAERN C[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1nc2ccccc2n1C ZINC000036992156 340729425 /nfs/dbraw/zinc/72/94/25/340729425.db2.gz LHQYLLNJVPKQNI-WDEREUQCSA-N 0 0 319.861 4.700 10 0 DJAERN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1nc(C2CCCC2)no1 ZINC000130910810 341054012 /nfs/dbraw/zinc/05/40/12/341054012.db2.gz IYQXZMALOASEEH-LBPRGKRZSA-N 0 0 319.836 4.574 10 0 DJAERN C[C@@H](NC(=O)N([C@H](C)C1CC1)C1CC1)c1ccc(F)c(Cl)c1 ZINC000073866484 341122340 /nfs/dbraw/zinc/12/23/40/341122340.db2.gz TVCVRCZIILQEFN-GHMZBOCLSA-N 0 0 324.827 4.513 10 0 DJAERN Cc1cccc(F)c1NC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000133542482 341177798 /nfs/dbraw/zinc/17/77/98/341177798.db2.gz BJELYHHUBQULPE-JTQLQIEISA-N 0 0 324.758 4.809 10 0 DJAERN CCC[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(C(C)C)cc2)CCO1 ZINC000245656343 341308069 /nfs/dbraw/zinc/30/80/69/341308069.db2.gz DQGBNQFUSMOSPN-AYOQOUSVSA-N 0 0 317.473 4.583 10 0 DJAERN CC[C@H](c1ccncc1)N(CC)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246722436 341356345 /nfs/dbraw/zinc/35/63/45/341356345.db2.gz DEUCAGUZDOKHFZ-IPMKNSEASA-N 0 0 314.473 4.598 10 0 DJAERN C[C@@H]1CC[C@H](N[C@@H](c2ncc[nH]2)c2ccccc2)c2ccccc21 ZINC000249192019 341395094 /nfs/dbraw/zinc/39/50/94/341395094.db2.gz OKBUKWWFPCCYOW-UIAACRFSSA-N 0 0 317.436 4.727 10 0 DJAERN CC[C@@H](SCc1nnc(C2CC2)n1C)c1ccc(Cl)cc1 ZINC000091029506 341421481 /nfs/dbraw/zinc/42/14/81/341421481.db2.gz BOYCWFPAKISNTR-CQSZACIVSA-N 0 0 321.877 4.730 10 0 DJAERN Cc1ccccc1[C@H](C)NC(=O)Nc1cccc(C(F)F)c1 ZINC000171393557 341777012 /nfs/dbraw/zinc/77/70/12/341777012.db2.gz JBFRCQOSCCZAHX-LBPRGKRZSA-N 0 0 304.340 4.815 10 0 DJAERN CC[C@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1ccc(C)cc1 ZINC000172169688 341794300 /nfs/dbraw/zinc/79/43/00/341794300.db2.gz GNBBZRJJKZWENN-DLBZAZTESA-N 0 0 312.413 4.586 10 0 DJAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)[C@@H](C)c2ccncc2)cc1 ZINC000130437742 519839585 /nfs/dbraw/zinc/83/95/85/519839585.db2.gz QEQNPEDMKMGFPZ-RYGJVYDSSA-N 0 0 322.452 4.528 10 0 DJAERN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000189218928 519841247 /nfs/dbraw/zinc/84/12/47/519841247.db2.gz ZXMJJMZQXCEFQB-WMLDXEAASA-N 0 0 303.446 4.687 10 0 DJAERN CCCCNc1c(C(=O)c2ccccc2)cnc2ccccc21 ZINC000085346432 520695792 /nfs/dbraw/zinc/69/57/92/520695792.db2.gz RJSFNWTXDORQJE-UHFFFAOYSA-N 0 0 304.393 4.678 10 0 DJAERN CCCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000190879545 521425485 /nfs/dbraw/zinc/42/54/85/521425485.db2.gz SINUQCMRANNYHX-PBHICJAKSA-N 0 0 303.446 4.516 10 0 DJAERN CC[C@H](N[C@@H](c1nc(C2CC2)no1)C(C)C)c1ccccc1F ZINC000180897254 522710289 /nfs/dbraw/zinc/71/02/89/522710289.db2.gz HELWSVLGWDJXDY-JKSUJKDBSA-N 0 0 317.408 4.524 10 0 DJAERN CC[C@@H](Sc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 ZINC000057326582 523085024 /nfs/dbraw/zinc/08/50/24/523085024.db2.gz VHXBAJCOOXPMNX-OAHLLOKOSA-N 0 0 308.410 4.683 10 0 DJAERN Cc1ccccc1[S@](=O)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000157088621 525453256 /nfs/dbraw/zinc/45/32/56/525453256.db2.gz IQOMPEIFKXUDNR-FPTDNZKUSA-N 0 0 311.406 4.519 10 0 DJAERN C[C@@H]1Cc2c(Cl)cccc2N(c2cnc3ccccc3c2)C1=O ZINC000090376998 525515290 /nfs/dbraw/zinc/51/52/90/525515290.db2.gz BERYAYYBKAVLFX-GFCCVEGCSA-N 0 0 322.795 4.745 10 0 DJAERN CC(=O)c1ccc(Oc2nc3cc(F)ccc3o2)c(Cl)c1 ZINC000120375306 534871876 /nfs/dbraw/zinc/87/18/76/534871876.db2.gz MYBAHTPBHHGYDJ-UHFFFAOYSA-N 0 0 305.692 4.615 10 0 DJAERN Cc1ccc([C@H](C)NCc2nc3cc(C(F)(F)F)ccc3o2)o1 ZINC000182585883 525929933 /nfs/dbraw/zinc/92/99/33/525929933.db2.gz JURGOAZTXMQHFH-JTQLQIEISA-N 0 0 324.302 4.599 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2cccc(F)c2C)o1 ZINC000161597316 525993145 /nfs/dbraw/zinc/99/31/45/525993145.db2.gz PJGPGDUSGVCMRC-MRXNPFEDSA-N 0 0 316.376 4.795 10 0 DJAERN Oc1cc(OC(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000065344326 526333956 /nfs/dbraw/zinc/33/39/56/526333956.db2.gz QCROXQDULXXWNU-UHFFFAOYSA-N 0 0 322.204 4.977 10 0 DJAERN O=C(c1ccccc1)C(F)(F)Sc1nc2ccccc2s1 ZINC000057354373 526789829 /nfs/dbraw/zinc/78/98/29/526789829.db2.gz OASLCCJQOQYJRN-UHFFFAOYSA-N 0 0 321.373 4.864 10 0 DJAERN Cc1nc([C@@H]2CCCN2Cc2cnc(C(C)(C)C)s2)cs1 ZINC000189937040 527051557 /nfs/dbraw/zinc/05/15/57/527051557.db2.gz AYYPIPXSGUFHRX-AWEZNQCLSA-N 0 0 321.515 4.543 10 0 DJAERN CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(O)ccc21 ZINC000001639546 560183237 /nfs/dbraw/zinc/18/32/37/560183237.db2.gz YHXWLHMIDZAYPE-UHFFFAOYSA-N 0 0 310.393 4.893 10 0 in-vitro DJAERN O=C(/C=C/c1ccc(-c2ccccc2)s1)NCc1ccccc1 ZINC000005403653 563329944 /nfs/dbraw/zinc/32/99/44/563329944.db2.gz FYLFILPAOXVSDW-WYMLVPIESA-N 0 0 319.429 4.745 10 0 DJAERN CCCC(=S)SCC(=O)c1ccc(-c2ccccn2)s1 ZINC000095092983 563529135 /nfs/dbraw/zinc/52/91/35/563529135.db2.gz NRUGXJFRWHGWNS-UHFFFAOYSA-N 0 0 321.492 4.854 10 0 DJAERN CC(C)(C)OC(=O)/C=C/c1cccc(OC2CCCCC2)c1 ZINC000725273781 563579278 /nfs/dbraw/zinc/57/92/78/563579278.db2.gz FJJCIBDWXVDCPU-OUKQBFOZSA-N 0 0 302.414 4.753 10 0 DJAERN CC(C)(C)OC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl ZINC000725273933 563579329 /nfs/dbraw/zinc/57/93/29/563579329.db2.gz WHKVWJNMDCTDTB-QPJJXVBHSA-N 0 0 306.711 4.714 10 0 DJAERN Cc1ccc(C)c(Nc2ncnc3sc4c(c32)CCCC4)c1 ZINC000000755378 563713980 /nfs/dbraw/zinc/71/39/80/563713980.db2.gz FMCVAAVZLAJEDY-UHFFFAOYSA-N 0 0 309.438 4.931 10 0 DJAERN Cc1sc(-c2c(C)nccc2Cl)cc1Br ZINC000669379935 563870088 /nfs/dbraw/zinc/87/00/88/563870088.db2.gz NABLYWIOHQSEMN-UHFFFAOYSA-N 0 0 302.624 4.843 10 0 DJAERN Cc1cc(-c2cc(Br)ccc2F)c(C)cc1C=O ZINC000675072408 563910770 /nfs/dbraw/zinc/91/07/70/563910770.db2.gz FRCGYQKHQTVMBM-UHFFFAOYSA-N 0 0 307.162 4.685 10 0 DJAERN Cc1ccc2cc(C(C)C)c(O)c3c2c1[C@@H]1OC(C)(C)C[C@@H]1O3 ZINC000014689927 563911028 /nfs/dbraw/zinc/91/10/28/563911028.db2.gz WIXCPTLCMKUWBG-KBXCAEBGSA-N 0 0 312.409 4.978 10 0 biogenic DJAERN CC(C)(C)N(O)C[C@H](C(=O)C=Cc1ccccc1)c1ccccc1 ZINC000048524325 563924031 /nfs/dbraw/zinc/92/40/31/563924031.db2.gz XBLOGSVMLOUTOW-IQGVVSCOSA-N 0 0 323.436 4.542 10 0 DJAERN CC(C)(C)OC(=O)/C=C/c1ccccc1OCc1ccccc1 ZINC000137414416 563940126 /nfs/dbraw/zinc/94/01/26/563940126.db2.gz LNXBSBIPDREOCK-BUHFOSPRSA-N 0 0 310.393 4.621 10 0 DJAERN Cc1cccc(-c2cc(C)c(C=O)cc2C)c1Br ZINC000675073431 568420247 /nfs/dbraw/zinc/42/02/47/568420247.db2.gz XFZHEVDJVZHZIQ-UHFFFAOYSA-N 0 0 303.199 4.854 10 0 DJAERN COc1cc2[nH]c3c(cc(C)c4c3C=CC(C)(C)O4)c2cc1OC ZINC000001715689 571681842 /nfs/dbraw/zinc/68/18/42/571681842.db2.gz IUZVYLWUISSZCS-UHFFFAOYSA-N 0 0 323.392 4.831 10 0 endogenous,in-man DJAERN Cc1cc(C)c(C(=O)c2cccs2)c(C)c1Br ZINC000096887389 185390196 /nfs/dbraw/zinc/39/01/96/185390196.db2.gz JJYTYGDYBZRUTP-UHFFFAOYSA-N 0 0 309.228 4.667 10 0 DJAERN CCCCc1cc(=O)c(Cc2c(Cl)cccc2Cl)c(C)[nH]1 ZINC000090428510 185295629 /nfs/dbraw/zinc/29/56/29/185295629.db2.gz NFEFKOINBPHUAP-UHFFFAOYSA-N 0 0 324.251 4.924 10 0 DJAERN COc1ccc([C@@]2(C)CC(c3ccc4ccccc4c3)=NO2)cc1 ZINC000090547327 185302111 /nfs/dbraw/zinc/30/21/11/185302111.db2.gz CDXMYSMPIVGUSY-OAQYLSRUSA-N 0 0 317.388 4.888 10 0 DJAERN COc1ncc(-c2ccc(C(F)(F)F)cc2)c2c(O)cccc12 ZINC000090555760 185303206 /nfs/dbraw/zinc/30/32/06/185303206.db2.gz WKEKAYSUSWLWHH-UHFFFAOYSA-N 0 0 319.282 4.635 10 0 DJAERN Fc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1 ZINC000090558206 185303272 /nfs/dbraw/zinc/30/32/72/185303272.db2.gz LOGLSPFTZOKRLW-UHFFFAOYSA-N 0 0 306.262 4.697 10 0 DJAERN O=c1cc(-c2ccncc2)oc2ccc(-c3cccs3)cc12 ZINC000090649590 185308049 /nfs/dbraw/zinc/30/80/49/185308049.db2.gz RCCZDDHDTRJQBA-UHFFFAOYSA-N 0 0 305.358 4.584 10 0 DJAERN Cc1ccc(OCCC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000006232153 190622707 /nfs/dbraw/zinc/62/27/07/190622707.db2.gz RKHHRPDFHDBUQR-UHFFFAOYSA-N 0 0 311.425 4.834 10 0 DJAERN Clc1ccc(CCNc2ncc(Cl)cc2Cl)cc1 ZINC000070134895 190861140 /nfs/dbraw/zinc/86/11/40/190861140.db2.gz PLIRDIDLGXMODR-UHFFFAOYSA-N 0 0 301.604 4.696 10 0 DJAERN CCCOc1ccccc1OCc1ccc(Br)cc1 ZINC000070133840 190861227 /nfs/dbraw/zinc/86/12/27/190861227.db2.gz LGKRKGZTAUEBMB-UHFFFAOYSA-N 0 0 321.214 4.817 10 0 DJAERN C[C@@H]1CC=CC[C@@H]1COCc1cc(Br)cs1 ZINC000071108849 190934675 /nfs/dbraw/zinc/93/46/75/190934675.db2.gz NWDYWHGRFWVNKM-GHMZBOCLSA-N 0 0 301.249 4.630 10 0 DJAERN FC(F)(F)c1cccc(-c2ccc(Br)cn2)c1 ZINC000072191850 191073888 /nfs/dbraw/zinc/07/38/88/191073888.db2.gz MMQGMAGVZIROCJ-UHFFFAOYSA-N 0 0 302.093 4.530 10 0 DJAERN COC(=O)c1cccc(Nc2ccnc3c2cccc3C(C)C)c1 ZINC000072236873 191081100 /nfs/dbraw/zinc/08/11/00/191081100.db2.gz LZXZPJKKQSGRPL-UHFFFAOYSA-N 0 0 320.392 4.888 10 0 DJAERN C=Cc1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1 ZINC000149896174 186053669 /nfs/dbraw/zinc/05/36/69/186053669.db2.gz RVJOMEBTSXSBKL-UHFFFAOYSA-N 0 0 323.302 4.806 10 0 DJAERN CC1CCN(c2nc3ccccc3c(Nc3ccccc3)n2)CC1 ZINC000072260377 191088623 /nfs/dbraw/zinc/08/86/23/191088623.db2.gz GBSPWYGQYKTZNC-UHFFFAOYSA-N 0 0 318.424 4.610 10 0 DJAERN COc1ccc(/C=C/c2ccnc(Nc3ccc(C)cc3)n2)cc1 ZINC000072443693 191168889 /nfs/dbraw/zinc/16/88/89/191168889.db2.gz XPIVQFVIEYOXSJ-BJMVGYQFSA-N 0 0 317.392 4.708 10 0 DJAERN CSc1ccc(-c2ccnc(Nc3ccc(C)cc3)n2)cc1 ZINC000072443519 191169209 /nfs/dbraw/zinc/16/92/09/191169209.db2.gz SDIXSQMKPPVMAO-UHFFFAOYSA-N 0 0 307.422 4.918 10 0 DJAERN CCCOc1ccccc1/C=C/C(=O)Nc1ccccc1CC ZINC000001927338 180902901 /nfs/dbraw/zinc/90/29/01/180902901.db2.gz WMULFULSADNYQP-BUHFOSPRSA-N 0 0 309.409 4.690 10 0 DJAERN CCCCN(CCCC)c1cc(C)[nH+]c2c(C(=O)[O-])cccc12 ZINC000004226579 181085982 /nfs/dbraw/zinc/08/59/82/181085982.db2.gz JPKCJMIGKHZUCR-UHFFFAOYSA-N 0 0 314.429 4.648 10 0 DJAERN CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=S)Nc1cccc(F)c1 ZINC000004322654 181097840 /nfs/dbraw/zinc/09/78/40/181097840.db2.gz IETJHKSEQGKSOZ-APHBMKBZSA-N 0 0 308.466 4.573 10 0 DJAERN Cc1ccc(Cc2nsc(Nc3ccc(C)c(C)c3)n2)cc1 ZINC000004780938 181151091 /nfs/dbraw/zinc/15/10/91/181151091.db2.gz MNNYIAZGFQWHFQ-UHFFFAOYSA-N 0 0 309.438 4.798 10 0 DJAERN CCc1nc(-c2ccc(C(F)(F)F)cc2)nc(Cl)c1C ZINC000073695392 191342330 /nfs/dbraw/zinc/34/23/30/191342330.db2.gz WTSLZHKMDRMEFX-UHFFFAOYSA-N 0 0 300.711 4.687 10 0 DJAERN CC(C)=CCc1c(O)cc(-c2cc3ccc(O)cc3o2)cc1O ZINC000005158948 181212217 /nfs/dbraw/zinc/21/22/17/181212217.db2.gz ZTGHWUWBQNCCOH-UHFFFAOYSA-N 0 0 310.349 4.725 10 0 endogenous,in-man DJAERN Cc1ccc(CC(=O)Nc2nc3c(s2)c(C)ccc3C)c(C)c1 ZINC000005268157 181224967 /nfs/dbraw/zinc/22/49/67/181224967.db2.gz AKVKEKVGFDJBKO-UHFFFAOYSA-N 0 0 324.449 4.711 10 0 DJAERN CCCCCCn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000005409615 181240012 /nfs/dbraw/zinc/24/00/12/181240012.db2.gz CDRLUHHCLIVEGM-UHFFFAOYSA-N 0 0 312.438 4.705 10 0 DJAERN Cc1ccc([C@@H](O)[C@H](C)Sc2nc3ccccc3s2)cc1 ZINC000005416637 181240622 /nfs/dbraw/zinc/24/06/22/181240622.db2.gz VKSSYFBLGTZMOO-LRDDRELGSA-N 0 0 315.463 4.819 10 0 DJAERN CSc1cccc2sc(NC(=O)c3cccc(C)c3)nc21 ZINC000005299209 181227885 /nfs/dbraw/zinc/22/78/85/181227885.db2.gz OFRYUIUFFDRWQR-UHFFFAOYSA-N 0 0 314.435 4.579 10 0 DJAERN CCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 ZINC000005333879 181231087 /nfs/dbraw/zinc/23/10/87/181231087.db2.gz KKLDWEZQDULUDH-UHFFFAOYSA-N 0 0 303.361 4.592 10 0 DJAERN Clc1nc(Cl)nc(Nc2ccc(-c3ccccc3)cc2)n1 ZINC000005421953 181242384 /nfs/dbraw/zinc/24/23/84/181242384.db2.gz XWBYFHVYOKMYCO-UHFFFAOYSA-N 0 0 317.179 4.589 10 0 DJAERN CC(C)=CCN1Cc2c3c(ccc2Cl)[nH]c(=S)n3C[C@@H]1C ZINC000005551645 181256256 /nfs/dbraw/zinc/25/62/56/181256256.db2.gz ZNFFMCYSMBXZQU-NSHDSACASA-N 0 0 321.877 4.523 10 0 in-man DJAERN CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2 ZINC000005648525 181268179 /nfs/dbraw/zinc/26/81/79/181268179.db2.gz ODFCWXVQZAQDSO-CMKODMSKSA-N 0 0 302.458 4.517 10 0 biogenic DJAERN O[C@@H](CCCc1ccccc1)c1ccc(Br)cc1 ZINC000005773331 181282070 /nfs/dbraw/zinc/28/20/70/181282070.db2.gz XHGSPDNHFAHKFY-INIZCTEOSA-N 0 0 305.215 4.505 10 0 DJAERN CC(C)CN(CC(C)C)C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000005907617 181295347 /nfs/dbraw/zinc/29/53/47/181295347.db2.gz NXWYTUZSWVYNOI-FMIVXFBMSA-N 0 0 301.474 4.964 10 0 DJAERN Cc1cccc2c1nc(C(C)C)n2Cc1c(F)cccc1F ZINC000005931349 181296992 /nfs/dbraw/zinc/29/69/92/181296992.db2.gz VHVDRHABPLFKJW-UHFFFAOYSA-N 0 0 300.352 4.795 10 0 DJAERN Fc1ccc([C@@H](c2c[nH]cc2-c2ccccc2)n2ccnc2)cc1 ZINC000005974747 181302799 /nfs/dbraw/zinc/30/27/99/181302799.db2.gz VCCSUYJQNJEZSO-FQEVSTJZSA-N 0 0 317.367 4.655 10 0 DJAERN O=C1c2ccccc2-c2cccc3ccc(Br)c1c32 ZINC000006117004 181313791 /nfs/dbraw/zinc/31/37/91/181313791.db2.gz NMSAMOWUJMCCEA-UHFFFAOYSA-N 0 0 309.162 4.814 10 0 DJAERN O=C1S/C(=C/c2cccs2)C(=O)N1c1cccc(Cl)c1 ZINC000006240945 181321756 /nfs/dbraw/zinc/32/17/56/181321756.db2.gz UKFSFMBWGBTUQM-XYOKQWHBSA-N 0 0 321.810 4.642 10 0 DJAERN CCC[C@@H](C)C(=O)Nc1nc(-c2ccccc2)c(CC)s1 ZINC000006311343 181328694 /nfs/dbraw/zinc/32/86/94/181328694.db2.gz YTLDIXPLCJBORW-GFCCVEGCSA-N 0 0 302.443 4.747 10 0 DJAERN Cc1ccnc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 ZINC000006396923 181337013 /nfs/dbraw/zinc/33/70/13/181337013.db2.gz NOQCLUARICBQHQ-XDJHFCHBSA-N 0 0 314.388 4.569 10 0 DJAERN CC(C)CCOC(=O)c1c(Cl)ccc2cc(Cl)cnc21 ZINC000090769266 192932208 /nfs/dbraw/zinc/93/22/08/192932208.db2.gz DLLOBDIRHFBSGL-UHFFFAOYSA-N 0 0 312.196 4.745 10 0 DJAERN O=C(Nc1ccccc1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000006597594 181359205 /nfs/dbraw/zinc/35/92/05/181359205.db2.gz QQEKUKXEODNSDY-UHFFFAOYSA-N 0 0 324.355 4.653 10 0 DJAERN CCCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 ZINC000006594425 181359599 /nfs/dbraw/zinc/35/95/99/181359599.db2.gz CMHXLSIKAGFMJE-UHFFFAOYSA-N 0 0 324.424 4.684 10 0 DJAERN CCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000006734323 181380042 /nfs/dbraw/zinc/38/00/42/181380042.db2.gz NWOUEQQZQHQFAD-SFHVURJKSA-N 0 0 320.436 4.525 10 0 DJAERN Brc1ccc2nccc(Oc3ccccc3)c2c1 ZINC000095930678 193450516 /nfs/dbraw/zinc/45/05/16/193450516.db2.gz XFBSANUOQZZDMY-UHFFFAOYSA-N 0 0 300.155 4.790 10 0 DJAERN Cc1ccncc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1 ZINC000095930514 193450524 /nfs/dbraw/zinc/45/05/24/193450524.db2.gz MEONEPRYQLOYPT-UHFFFAOYSA-N 0 0 324.330 4.588 10 0 DJAERN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1c(C)cccc1C ZINC000008163332 181531656 /nfs/dbraw/zinc/53/16/56/181531656.db2.gz ZAMNVELRPDNBOS-CQSZACIVSA-N 0 0 317.816 4.671 10 0 DJAERN CCOc1ccccc1NC(=O)c1cccc(O[C@H](C)CC)c1 ZINC000010473653 181671956 /nfs/dbraw/zinc/67/19/56/181671956.db2.gz QWFNPOPRQYPBTH-CQSZACIVSA-N 0 0 313.397 4.515 10 0 DJAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC(=S)Nc1cccc(F)c1 ZINC000013464574 181852092 /nfs/dbraw/zinc/85/20/92/181852092.db2.gz IETJHKSEQGKSOZ-MAZHCROVSA-N 0 0 308.466 4.573 10 0 DJAERN O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1 ZINC000013611905 181869291 /nfs/dbraw/zinc/86/92/91/181869291.db2.gz OVFUWDCWLWBDJD-UHFFFAOYSA-N 0 0 308.381 4.599 10 0 in-vivo DJAERN CC[C@@H]1CCCCN1C(=S)Nc1cc(Cl)ccc1Cl ZINC000013829295 181904604 /nfs/dbraw/zinc/90/46/04/181904604.db2.gz SLXZDCAZTGBDAV-LLVKDONJSA-N 0 0 317.285 4.955 10 0 DJAERN C[C@H]1C[C@H](C)CN(C(=S)Nc2cccc(Cl)c2Cl)C1 ZINC000013827250 181903984 /nfs/dbraw/zinc/90/39/84/181903984.db2.gz AYHUEGOPBSONIA-UWVGGRQHSA-N 0 0 317.285 4.668 10 0 DJAERN CCc1ccc([C@H](C)NC(=S)Nc2ccccc2Cl)cc1 ZINC000013931007 181910508 /nfs/dbraw/zinc/91/05/08/181910508.db2.gz VTMIBYJUHUFXQP-LBPRGKRZSA-N 0 0 318.873 4.950 10 0 DJAERN Cc1ccccc1N1C(=N)S/C(=C\C=C\c2ccccc2)C1=O ZINC000015053251 181984532 /nfs/dbraw/zinc/98/45/32/181984532.db2.gz FPYHBKYHKISTEW-PPBOBFAISA-N 0 0 320.417 4.607 10 0 DJAERN CCOC(=O)C1=Nc2ccccc2/C1=C/c1ccccc1Cl ZINC000016082682 182031692 /nfs/dbraw/zinc/03/16/92/182031692.db2.gz CJIIODHTPSOKRF-KAMYIIQDSA-N 0 0 311.768 4.530 10 0 DJAERN Cc1ccc(N[C@@H]2CCOc3ccccc32)c(Br)c1 ZINC000019901689 182162600 /nfs/dbraw/zinc/16/26/00/182162600.db2.gz DYPMLGJGXNACKJ-CQSZACIVSA-N 0 0 318.214 4.693 10 0 DJAERN Brc1ccc(CNc2cccc3ncccc32)cc1 ZINC000019906764 182163165 /nfs/dbraw/zinc/16/31/65/182163165.db2.gz XLKBWMRUUWXTND-UHFFFAOYSA-N 0 0 313.198 4.609 10 0 DJAERN C[C@H](Nc1ccc(Br)cc1F)c1cccs1 ZINC000019907995 182163316 /nfs/dbraw/zinc/16/33/16/182163316.db2.gz SOTLAUWGVBOEPP-QMMMGPOBSA-N 0 0 300.196 4.823 10 0 DJAERN COc1ccc(C)cc1N[C@@H](C)c1cccc(Br)c1 ZINC000019914344 182164335 /nfs/dbraw/zinc/16/43/35/182164335.db2.gz DYDXLYHOEKKWLN-LBPRGKRZSA-N 0 0 320.230 4.939 10 0 DJAERN COc1ccc([C@@H](C)Nc2ccc(Br)cc2)cc1F ZINC000019923312 182165117 /nfs/dbraw/zinc/16/51/17/182165117.db2.gz GDZKPILPNFNAER-SNVBAGLBSA-N 0 0 324.193 4.770 10 0 DJAERN CCc1cc2c(ncnc2Nc2cccc3cccnc32)s1 ZINC000019955550 182169922 /nfs/dbraw/zinc/16/99/22/182169922.db2.gz OBLYQLOZOPVGMB-UHFFFAOYSA-N 0 0 306.394 4.546 10 0 DJAERN C[C@@H](Nc1cc(F)cc(F)c1)c1cccc(Br)c1 ZINC000019961794 182170511 /nfs/dbraw/zinc/17/05/11/182170511.db2.gz ROQFAUKCUQHUIW-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN C[C@H](Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000019985905 182173917 /nfs/dbraw/zinc/17/39/17/182173917.db2.gz BOSISZUDHVCIDO-JTQLQIEISA-N 0 0 324.207 4.938 10 0 DJAERN Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)cc1N ZINC000019995803 182175398 /nfs/dbraw/zinc/17/53/98/182175398.db2.gz RCIHDOZLLQRTKK-UHFFFAOYSA-N 0 0 302.805 4.606 10 0 DJAERN Cc1ccc(Cl)c(Nc2ccc(C(N)=S)cc2)c1Cl ZINC000020014274 182178433 /nfs/dbraw/zinc/17/84/33/182178433.db2.gz FCGGDGMYSYNLOH-UHFFFAOYSA-N 0 0 311.237 4.680 10 0 DJAERN Oc1ccc(-c2nc(-c3nc4ccccc4s3)cs2)cc1 ZINC000020311562 182205755 /nfs/dbraw/zinc/20/57/55/182205755.db2.gz DUDJYBLMDPAFRH-UHFFFAOYSA-N 0 0 310.403 4.792 10 0 DJAERN CC[C@H](Nc1cccc(O)c1)c1ccc(Br)cc1 ZINC000020193744 182195933 /nfs/dbraw/zinc/19/59/33/182195933.db2.gz FHPMCCOKQOSMEP-HNNXBMFYSA-N 0 0 306.203 4.718 10 0 DJAERN CC[C@@H](Nc1cccc(O)c1)c1ccc(Br)cc1 ZINC000020193741 182195992 /nfs/dbraw/zinc/19/59/92/182195992.db2.gz FHPMCCOKQOSMEP-OAHLLOKOSA-N 0 0 306.203 4.718 10 0 DJAERN Cc1ccc2cc([C@H](N)c3ccc(Br)cc3)oc2c1 ZINC000020389318 182213562 /nfs/dbraw/zinc/21/35/62/182213562.db2.gz PJUVLTRYAAHOBD-MRXNPFEDSA-N 0 0 316.198 4.552 10 0 DJAERN Nc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000020521693 182226593 /nfs/dbraw/zinc/22/65/93/182226593.db2.gz PSUSKQHZXWAAAG-UHFFFAOYSA-N 0 0 302.588 4.808 10 0 DJAERN Fc1ccc(CNc2cccc(Cl)c2)c(Br)c1 ZINC000021048286 182263474 /nfs/dbraw/zinc/26/34/74/182263474.db2.gz PBBZXGYECJIWCS-UHFFFAOYSA-N 0 0 314.585 4.854 10 0 DJAERN Cc1cc(NCCCc2ccccc2)ccc1Br ZINC000021054609 182264339 /nfs/dbraw/zinc/26/43/39/182264339.db2.gz ITZCQRVGEZDCQG-UHFFFAOYSA-N 0 0 304.231 4.802 10 0 DJAERN CC[C@@H](C)C(=O)Nc1ccc2nc(-c3ccccc3C)oc2c1 ZINC000021027934 182262400 /nfs/dbraw/zinc/26/24/00/182262400.db2.gz DJCOGPSMPVOQEZ-GFCCVEGCSA-N 0 0 308.381 4.788 10 0 DJAERN COc1ccc(OC)c(CNc2ccc(Cl)cc2Cl)c1 ZINC000022153284 182311390 /nfs/dbraw/zinc/31/13/90/182311390.db2.gz RHVDRGDFVCWXEF-UHFFFAOYSA-N 0 0 312.196 4.623 10 0 DJAERN C[C@@H](NC(=O)CC1CCCCC1)c1ccccc1Br ZINC000023525697 182363169 /nfs/dbraw/zinc/36/31/69/182363169.db2.gz BGCCOLSTYRKGQH-GFCCVEGCSA-N 0 0 324.262 4.597 10 0 DJAERN CCOc1ccc(NC(=O)/C=C\c2ccc(CC(C)C)cc2)cc1 ZINC000035238048 182764617 /nfs/dbraw/zinc/76/46/17/182764617.db2.gz NVYSAGKAWNJYSI-ZROIWOOFSA-N 0 0 323.436 4.936 10 0 DJAERN CCCc1cc(Br)c2cc(Cl)cc(OC)c2n1 ZINC000036075747 182795568 /nfs/dbraw/zinc/79/55/68/182795568.db2.gz KXBMMSXXHOTSFJ-UHFFFAOYSA-N 0 0 314.610 4.612 10 0 DJAERN CCC[C@@H](C)c1noc(N)c1-c1cccc(Br)c1 ZINC000036765997 182842299 /nfs/dbraw/zinc/84/22/99/182842299.db2.gz HPWXYWNBAIQXRK-SECBINFHSA-N 0 0 309.207 4.590 10 0 DJAERN Nc1onc(-c2ccsc2)c1-c1c(Cl)cccc1Cl ZINC000036936346 182853698 /nfs/dbraw/zinc/85/36/98/182853698.db2.gz ZFBHDBOSSLXNLP-UHFFFAOYSA-N 0 0 311.193 4.959 10 0 DJAERN CC(C)Cc1ccc(C(=O)c2ccc(Br)cc2)cc1 ZINC000037357436 182883455 /nfs/dbraw/zinc/88/34/55/182883455.db2.gz AUOOLIWUWUQUFR-UHFFFAOYSA-N 0 0 317.226 4.879 10 0 DJAERN CC(C)(C)c1nc(CSc2ccc(Cl)cc2N)cs1 ZINC000037037225 182864073 /nfs/dbraw/zinc/86/40/73/182864073.db2.gz WSDNBXAPSYIORE-UHFFFAOYSA-N 0 0 312.891 4.969 10 0 DJAERN Fc1ccc(N[C@H]2CCOc3ccc(Br)cc32)cc1 ZINC000037210660 182872118 /nfs/dbraw/zinc/87/21/18/182872118.db2.gz XLLWBFHIQBYPOZ-AWEZNQCLSA-N 0 0 322.177 4.524 10 0 DJAERN CCCc1cc(Cl)nc(-c2ccc(Br)cc2)n1 ZINC000037409137 182889016 /nfs/dbraw/zinc/88/90/16/182889016.db2.gz VEIVYQZSMRBQIL-UHFFFAOYSA-N 0 0 311.610 4.512 10 0 DJAERN Cc1nn(C)c(C)c1NCc1sc2ccccc2c1Cl ZINC000038009164 182962028 /nfs/dbraw/zinc/96/20/28/182962028.db2.gz RWMCEEMISOMKKT-UHFFFAOYSA-N 0 0 305.834 4.517 10 0 DJAERN C[C@@H](Nc1ncccc1Cl)c1cccc(Br)c1 ZINC000038012644 182963733 /nfs/dbraw/zinc/96/37/33/182963733.db2.gz JMUZRLNTLPBOAN-SECBINFHSA-N 0 0 311.610 4.671 10 0 DJAERN Nc1ccc(Oc2ccc(Cl)c(Cl)c2)c2cccnc12 ZINC000038001319 182958021 /nfs/dbraw/zinc/95/80/21/182958021.db2.gz XHMCZEYSPUVGOE-UHFFFAOYSA-N 0 0 305.164 4.916 10 0 DJAERN COc1ccc(Nc2ccnc3c(Cl)cccc23)c(OC)c1 ZINC000039963785 183025706 /nfs/dbraw/zinc/02/57/06/183025706.db2.gz YDAFOAYDQQYMNP-UHFFFAOYSA-N 0 0 314.772 4.649 10 0 DJAERN Cc1cc(O[C@H](C)c2nc3ccccc3[nH]2)cc(C)c1Cl ZINC000040169864 183043751 /nfs/dbraw/zinc/04/37/51/183043751.db2.gz LEIRLIRJSVLDNB-GFCCVEGCSA-N 0 0 300.789 4.973 10 0 DJAERN CCc1ccc(OCc2nc3ccccc3n2CC(C)C)cc1 ZINC000040234968 183048424 /nfs/dbraw/zinc/04/84/24/183048424.db2.gz PGQXBXSVMXBUQE-UHFFFAOYSA-N 0 0 308.425 4.834 10 0 DJAERN Cc1cc2nc(CCCO)n(CCC3CCCCC3)c2cc1C ZINC000040311042 183053452 /nfs/dbraw/zinc/05/34/52/183053452.db2.gz MPFBTSXUGNSGCF-UHFFFAOYSA-N 0 0 314.473 4.548 10 0 DJAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(C)c3ccccc23)c(N)c1 ZINC000040354780 183056437 /nfs/dbraw/zinc/05/64/37/183056437.db2.gz RHWGUNLHLUZSJB-HNNXBMFYSA-N 0 0 319.404 4.689 10 0 DJAERN Cc1cc(C)c2c(n1)sc1c2ncnc1SCCC(C)C ZINC000040373618 183056973 /nfs/dbraw/zinc/05/69/73/183056973.db2.gz LHHOADCKJNMPSH-UHFFFAOYSA-N 0 0 317.483 4.995 10 0 DJAERN CCOCCCn1c2ccccc2nc1-c1ccc(C)cc1C ZINC000040389514 183059861 /nfs/dbraw/zinc/05/98/61/183059861.db2.gz UJOOXYIUCYNKMF-UHFFFAOYSA-N 0 0 308.425 4.747 10 0 DJAERN COCCCn1c2cc(Cl)ccc2nc1-c1ccc(C)cc1 ZINC000040402853 183061360 /nfs/dbraw/zinc/06/13/60/183061360.db2.gz BNMQUXMFWFLFMZ-UHFFFAOYSA-N 0 0 314.816 4.702 10 0 DJAERN CCOCCn1c2ccc(Cl)cc2nc1-c1ccccc1C ZINC000040405143 183062458 /nfs/dbraw/zinc/06/24/58/183062458.db2.gz DEMALHJDDXDGDE-UHFFFAOYSA-N 0 0 314.816 4.702 10 0 DJAERN Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C)c(C)c1 ZINC000040410313 183062959 /nfs/dbraw/zinc/06/29/59/183062959.db2.gz QALRJMDRJJWORY-UHFFFAOYSA-N 0 0 304.315 4.876 10 0 DJAERN CCCn1c(COc2ccccc2)nc2ccc(Cl)cc21 ZINC000040417550 183063457 /nfs/dbraw/zinc/06/34/57/183063457.db2.gz LPNSKOOONANJJT-UHFFFAOYSA-N 0 0 300.789 4.679 10 0 DJAERN CCn1c(COc2ccccc2C)nc2cc(Cl)ccc21 ZINC000040417229 183063627 /nfs/dbraw/zinc/06/36/27/183063627.db2.gz RLWWRCCKTDBRCD-UHFFFAOYSA-N 0 0 300.789 4.597 10 0 DJAERN Cn1c2ccc(Cl)cc2nc1Cc1cccc2ccccc21 ZINC000040417050 183063706 /nfs/dbraw/zinc/06/37/06/183063706.db2.gz DSNVUUFGTKIWIF-UHFFFAOYSA-N 0 0 306.796 4.971 10 0 DJAERN CCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000040417761 183063732 /nfs/dbraw/zinc/06/37/32/183063732.db2.gz FGNYRAPREFEATJ-UHFFFAOYSA-N 0 0 304.315 4.666 10 0 DJAERN Cc1cccc(OCc2nc3ccccc3n2CC(C)C)c1C ZINC000040417592 183063801 /nfs/dbraw/zinc/06/38/01/183063801.db2.gz MAQKKJCAFJRZNR-UHFFFAOYSA-N 0 0 308.425 4.888 10 0 DJAERN Cc1ccc(Nc2ncnc(Oc3cc(C)cc(C)c3)c2N)cc1 ZINC000040681460 183117076 /nfs/dbraw/zinc/11/70/76/183117076.db2.gz OQNRAEVZLHTVBO-UHFFFAOYSA-N 0 0 320.396 4.520 10 0 DJAERN Cc1ccc(Oc2ncnc(Nc3ccccc3C)c2N)cc1C ZINC000040781257 183132967 /nfs/dbraw/zinc/13/29/67/183132967.db2.gz JRQFFKCMOJPIMZ-UHFFFAOYSA-N 0 0 320.396 4.520 10 0 DJAERN CC(C)c1ccc(Oc2ncnc(Oc3ccccc3)c2N)cc1 ZINC000040727499 183125409 /nfs/dbraw/zinc/12/54/09/183125409.db2.gz NLWQSTHKKVVSDZ-UHFFFAOYSA-N 0 0 321.380 4.767 10 0 DJAERN COc1ccc(/C=C/C(=O)Oc2ccccc2C(C)(C)C)cc1 ZINC000040883565 183146374 /nfs/dbraw/zinc/14/63/74/183146374.db2.gz YSFMLIQELRKLDK-SDNWHVSQSA-N 0 0 310.393 4.612 10 0 DJAERN CCCCC(=O)NC(=S)Nc1c(C(C)C)cccc1C(C)C ZINC000040898101 183147382 /nfs/dbraw/zinc/14/73/82/183147382.db2.gz PRROFQJATGMCKS-UHFFFAOYSA-N 0 0 320.502 4.937 10 0 DJAERN CC(C)c1ccc(OCCCC(=O)Nc2ccc(F)cc2)cc1 ZINC000040949739 183150883 /nfs/dbraw/zinc/15/08/83/183150883.db2.gz OJIFMDICKUYJNO-UHFFFAOYSA-N 0 0 315.388 4.747 10 0 DJAERN COc1cccc(-c2cn3c(n2)sc2ccc(C)c(C)c23)c1 ZINC000040964590 183152183 /nfs/dbraw/zinc/15/21/83/183152183.db2.gz CMGVNHAMQLLVKK-UHFFFAOYSA-N 0 0 308.406 4.841 10 0 DJAERN CCCc1nn2cc(-c3ccc(Cl)cc3Cl)nc2s1 ZINC000040963640 183152271 /nfs/dbraw/zinc/15/22/71/183152271.db2.gz QXPSTVAVLVBZHV-UHFFFAOYSA-N 0 0 312.225 4.717 10 0 DJAERN CCCCOc1ccc2nc(NC(=O)CC(C)(C)C)sc2c1 ZINC000040991633 183155327 /nfs/dbraw/zinc/15/53/27/183155327.db2.gz GJKMGOOIWPDEBA-UHFFFAOYSA-N 0 0 320.458 4.850 10 0 DJAERN CCCOC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000041012956 183157039 /nfs/dbraw/zinc/15/70/39/183157039.db2.gz PWGSBTWKBNMZFO-UHFFFAOYSA-N 0 0 316.426 4.647 10 0 DJAERN Cc1cc(C)c2nccc(NC(=O)/C=C/c3cccs3)c2c1 ZINC000041057074 183160297 /nfs/dbraw/zinc/16/02/97/183160297.db2.gz SXHTVVGEWYNNOT-AATRIKPKSA-N 0 0 308.406 4.565 10 0 DJAERN Cc1cccc2c(NC(=O)/C=C/c3ccc(Cl)cc3)ccnc12 ZINC000041057866 183160879 /nfs/dbraw/zinc/16/08/79/183160879.db2.gz HSTSVIXMXXZDBE-JXMROGBWSA-N 0 0 322.795 4.849 10 0 DJAERN Cc1ccc2c(NC(=O)/C=C/c3cccs3)ccnc2c1C ZINC000041057990 183160936 /nfs/dbraw/zinc/16/09/36/183160936.db2.gz KFWCZSXOMHIYEU-SOFGYWHQSA-N 0 0 308.406 4.565 10 0 DJAERN Cc1cccc(C)c1OCC(=O)Oc1ccccc1C(C)(C)C ZINC000040876312 183145479 /nfs/dbraw/zinc/14/54/79/183145479.db2.gz KNXZZTSWPWNDPJ-UHFFFAOYSA-N 0 0 312.409 4.585 10 0 DJAERN Cc1cc(C)c(C[C@@H](CO)Cc2ccc(Cl)cc2)c(C)c1 ZINC000041516752 183196660 /nfs/dbraw/zinc/19/66/60/183196660.db2.gz NRJAZVQYAOXQCC-KRWDZBQOSA-N 0 0 302.845 4.659 10 0 DJAERN Nc1onc(-c2ccccc2)c1-c1ccc(Cl)c(Cl)c1 ZINC000041531773 183199074 /nfs/dbraw/zinc/19/90/74/183199074.db2.gz YKMSLJVRWQFFMT-UHFFFAOYSA-N 0 0 305.164 4.898 10 0 DJAERN Cc1cccc(C[C@H](CO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000041543089 183201447 /nfs/dbraw/zinc/20/14/47/183201447.db2.gz CTGSISKEUHKOOA-HNNXBMFYSA-N 0 0 309.236 4.696 10 0 DJAERN Cc1ccc(C[C@@H](CO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000041543098 183201536 /nfs/dbraw/zinc/20/15/36/183201536.db2.gz BNMJTDMWURXMGW-OAHLLOKOSA-N 0 0 309.236 4.696 10 0 DJAERN OC[C@@H](Cc1ccc(F)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000041564697 183202800 /nfs/dbraw/zinc/20/28/00/183202800.db2.gz JXDZBIRYULEYMC-ZDUSSCGKSA-N 0 0 313.199 4.526 10 0 DJAERN CC(C)C[C@@H](C)N(C)CC(=O)c1cc(Cl)sc1Cl ZINC000042586572 183287989 /nfs/dbraw/zinc/28/79/89/183287989.db2.gz SJPWJCSBFDQNAL-SECBINFHSA-N 0 0 308.274 4.604 10 0 DJAERN COc1cc(Cl)c(C)cc1NCc1ccc(O)c(Cl)c1 ZINC000043476687 183365955 /nfs/dbraw/zinc/36/59/55/183365955.db2.gz RWDSDJAIHKWWSP-UHFFFAOYSA-N 0 0 312.196 4.628 10 0 DJAERN O=Cc1ccc(Oc2cccc(Br)c2)cc1Cl ZINC000053994395 183919287 /nfs/dbraw/zinc/91/92/87/183919287.db2.gz VIEMQFBUOICLRB-UHFFFAOYSA-N 0 0 311.562 4.707 10 0 DJAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000057159346 184029058 /nfs/dbraw/zinc/02/90/58/184029058.db2.gz NOYAENPVMWCNKW-SECBINFHSA-N 0 0 313.184 4.778 10 0 DJAERN Fc1ccc(Nc2nc(Cl)c3c(n2)CCCC3)c(Cl)c1 ZINC000057343427 184034163 /nfs/dbraw/zinc/03/41/63/184034163.db2.gz QUMRQILNNHXEMH-UHFFFAOYSA-N 0 0 312.175 4.545 10 0 DJAERN Cc1c(N)cccc1N[C@H](C)c1cccc(Br)c1 ZINC000062725029 184250602 /nfs/dbraw/zinc/25/06/02/184250602.db2.gz XRNPQBNTEJGCTA-LLVKDONJSA-N 0 0 305.219 4.513 10 0 DJAERN Fc1ccc(-c2cc3c(ncnc3Cl)n2-c2ccccc2)cc1 ZINC000064453717 184297449 /nfs/dbraw/zinc/29/74/49/184297449.db2.gz PMEKECWKQLRLPT-UHFFFAOYSA-N 0 0 323.758 4.880 10 0 DJAERN CC(C)CC(=O)Nc1ccc(C(C)(C)C)cc1Br ZINC000065001701 184307827 /nfs/dbraw/zinc/30/78/27/184307827.db2.gz GWJNQURIBGWHDN-UHFFFAOYSA-N 0 0 312.251 4.731 10 0 DJAERN CSc1ccccc1-c1cc(O)cc(OC(F)(F)F)c1 ZINC000065344182 184325906 /nfs/dbraw/zinc/32/59/06/184325906.db2.gz XHTSIXRUEKRZIN-UHFFFAOYSA-N 0 0 300.301 4.680 10 0 DJAERN Cc1ccc(-c2cc(O)cc(OC(F)(F)F)c2)c(Cl)c1 ZINC000065344212 184326232 /nfs/dbraw/zinc/32/62/32/184326232.db2.gz WRMFNQHAVLVHKK-UHFFFAOYSA-N 0 0 302.679 4.920 10 0 DJAERN CCCCCOC(=O)c1ccccc1C(=O)O[C@H](C)[C@@H](C)CC ZINC000504569163 257144141 /nfs/dbraw/zinc/14/41/41/257144141.db2.gz QCVVHVRKVMXOGS-LSDHHAIUSA-N 0 0 320.429 4.625 10 0 DJAERN CCCCCOC(=O)c1ccccc1C(=O)O[C@@H](C)[C@@H](C)CC ZINC000504569160 257144162 /nfs/dbraw/zinc/14/41/62/257144162.db2.gz QCVVHVRKVMXOGS-GJZGRUSLSA-N 0 0 320.429 4.625 10 0 DJAERN CC(C)(C)c1nn(C(C)(C)C)c2nc(Cl)cc(Cl)c12 ZINC000521401768 257234320 /nfs/dbraw/zinc/23/43/20/257234320.db2.gz OLLBJSRHDSGVCS-UHFFFAOYSA-N 0 0 300.233 4.791 10 0 DJAERN CC[C@H](C)[C@@H](C)C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000180277914 331565756 /nfs/dbraw/zinc/56/57/56/331565756.db2.gz GIGPUNBTPYCPPK-ZNMIVQPWSA-N 0 0 322.518 4.655 10 0 DJAERN FC(F)(F)CCCCNc1ncc(C(F)(F)F)cc1Cl ZINC000125843820 331992003 /nfs/dbraw/zinc/99/20/03/331992003.db2.gz DJIUVYIIAOCQFE-UHFFFAOYSA-N 0 0 320.664 4.898 10 0 DJAERN C[C@H](Nc1cc(C(F)(F)F)ccn1)c1cccc(Cl)c1 ZINC000090803064 332034745 /nfs/dbraw/zinc/03/47/45/332034745.db2.gz RDGVHDQQMWHUJQ-VIFPVBQESA-N 0 0 300.711 4.927 10 0 DJAERN Cc1ccccc1[C@H](NCc1ccc(Cl)cn1)c1ccccc1 ZINC000181061701 332173570 /nfs/dbraw/zinc/17/35/70/332173570.db2.gz FNGVYOXJBITEJJ-HXUWFJFHSA-N 0 0 322.839 4.923 10 0 DJAERN Cc1nn(C)cc1[C@@H](C)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000169018705 332609015 /nfs/dbraw/zinc/60/90/15/332609015.db2.gz KFJKLNBUEUKVPG-MRVPVSSYSA-N 0 0 317.742 4.574 10 0 DJAERN Cc1ccc2cccc(N[C@H](C)c3nc4ccccc4n3C)c2n1 ZINC000171132524 332641769 /nfs/dbraw/zinc/64/17/69/332641769.db2.gz DQWYLTYMDJIQPW-CQSZACIVSA-N 0 0 316.408 4.603 10 0 DJAERN CC(C)c1ccc([C@@H](C)NCc2nc(C3CCCC3)no2)cc1 ZINC000178745197 333019283 /nfs/dbraw/zinc/01/92/83/333019283.db2.gz MULLYUVDRWWPMS-CQSZACIVSA-N 0 0 313.445 4.701 10 0 DJAERN Cc1ccc2cc(C[NH2+][C@@H](C)c3ccc(F)c(F)c3)ccc2n1 ZINC000187637970 334266188 /nfs/dbraw/zinc/26/61/88/334266188.db2.gz STXOANDUJGWALQ-ZDUSSCGKSA-N 0 0 312.363 4.672 10 0 DJAERN CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)c1ccccc1F ZINC000102252916 334716953 /nfs/dbraw/zinc/71/69/53/334716953.db2.gz PKKUVPBYDYKPCE-UHFFFAOYSA-N 0 0 313.303 4.501 10 0 DJAERN CC(C)Oc1ccc(NC(=O)N[C@H](C)c2cccs2)c(F)c1 ZINC000052267529 335790075 /nfs/dbraw/zinc/79/00/75/335790075.db2.gz ALWQOGPRVOYYPS-LLVKDONJSA-N 0 0 322.405 4.557 10 0 DJAERN C[C@H](Nc1nc2ccccc2cc1CO)c1ccccc1Cl ZINC000301197969 336294485 /nfs/dbraw/zinc/29/44/85/336294485.db2.gz LBXPGNMUMLIZIK-LBPRGKRZSA-N 0 0 312.800 4.554 10 0 DJAERN CCc1c(Cl)nc(C)nc1N[C@@H](C)c1csc(C(C)C)n1 ZINC000301569179 336315565 /nfs/dbraw/zinc/31/55/65/336315565.db2.gz LNTCNGMGSWGOPJ-VIFPVBQESA-N 0 0 324.881 4.754 10 0 DJAERN Cc1cc(N[C@H](C)c2csc(C(C)C)n2)nc(C(C)C)n1 ZINC000301586006 336316581 /nfs/dbraw/zinc/31/65/81/336316581.db2.gz RFMQYXKBSOHWDS-GFCCVEGCSA-N 0 0 304.463 4.661 10 0 DJAERN Cc1nc(-c2ccccc2)sc1CNc1ccnc(Cl)c1 ZINC000301637771 336319900 /nfs/dbraw/zinc/31/99/00/336319900.db2.gz XMJPVFMHHZFCGN-UHFFFAOYSA-N 0 0 315.829 4.779 10 0 DJAERN CCc1sc([C@@H](C)Nc2nccc(C(F)(F)F)n2)cc1C ZINC000301770460 336328587 /nfs/dbraw/zinc/32/85/87/336328587.db2.gz KGSYTDQXDYOMMN-SECBINFHSA-N 0 0 315.364 4.601 10 0 DJAERN Cc1ccc([C@H]2C[C@@H](C)CCN2c2nc(C(C)C)ns2)o1 ZINC000301968713 336340430 /nfs/dbraw/zinc/34/04/30/336340430.db2.gz YWYZXXVNQQUUIE-WCQYABFASA-N 0 0 305.447 4.541 10 0 DJAERN Cc1cc2c(ccnc2N[C@@H](C)c2csc(C(C)C)n2)o1 ZINC000302731242 336366913 /nfs/dbraw/zinc/36/69/13/336366913.db2.gz MGBHKKYAZCUMLK-NSHDSACASA-N 0 0 301.415 4.889 10 0 DJAERN FC(F)(F)c1cnc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000302781001 336368762 /nfs/dbraw/zinc/36/87/62/336368762.db2.gz RVJUCTGEXXDKAE-RNFRBKRXSA-N 0 0 318.286 4.695 10 0 DJAERN FC(F)(F)c1cnc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000302781002 336368764 /nfs/dbraw/zinc/36/87/64/336368764.db2.gz RVJUCTGEXXDKAE-RQJHMYQMSA-N 0 0 318.286 4.695 10 0 DJAERN FC(F)(F)c1cnc(N[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000302780999 336368776 /nfs/dbraw/zinc/36/87/76/336368776.db2.gz RVJUCTGEXXDKAE-BQBZGAKWSA-N 0 0 318.286 4.695 10 0 DJAERN FC(F)(F)c1cnc(N[C@H]2CCSc3ccccc32)s1 ZINC000302792984 336369416 /nfs/dbraw/zinc/36/94/16/336369416.db2.gz ZVQGNUBBEZSMEN-VIFPVBQESA-N 0 0 316.373 4.811 10 0 DJAERN O=C(c1cccc(C(F)F)c1)N1CC=C(c2cccs2)CC1 ZINC000172092306 337089730 /nfs/dbraw/zinc/08/97/30/337089730.db2.gz IWNQPMRQWRPSDZ-UHFFFAOYSA-N 0 0 319.376 4.615 10 0 DJAERN C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1ccc(F)c(F)c1 ZINC000173381948 337134942 /nfs/dbraw/zinc/13/49/42/337134942.db2.gz UBJJUGHVTBRGPL-JLTOFOAXSA-N 0 0 324.374 4.800 10 0 DJAERN CCCCCC[C@@H](C)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000173512067 337136114 /nfs/dbraw/zinc/13/61/14/337136114.db2.gz JJPOWEROKWBRQK-HUUCEWRRSA-N 0 0 308.491 4.803 10 0 DJAERN Cc1cccc(NC(=O)N2CCC[C@H]2c2ccco2)c1Cl ZINC000174936167 337143739 /nfs/dbraw/zinc/14/37/39/337143739.db2.gz QZXKGYOGEUPKCF-ZDUSSCGKSA-N 0 0 304.777 4.610 10 0 DJAERN CC(C)c1csc([C@@H]2CCCN(C(=O)CCC3CCC3)C2)n1 ZINC000176897106 337153584 /nfs/dbraw/zinc/15/35/84/337153584.db2.gz MKTJZPUNIDGPPO-OAHLLOKOSA-N 0 0 320.502 4.553 10 0 DJAERN COc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)cc1 ZINC000178612864 337165384 /nfs/dbraw/zinc/16/53/84/337165384.db2.gz KDVHNJAOWBRQMC-HRAATJIYSA-N 0 0 318.420 4.530 10 0 DJAERN Cc1ccccc1[C@@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000178611654 337165432 /nfs/dbraw/zinc/16/54/32/337165432.db2.gz QONXVOLBJDAFGU-DYESRHJHSA-N 0 0 302.421 4.830 10 0 DJAERN C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000180849239 337178140 /nfs/dbraw/zinc/17/81/40/337178140.db2.gz KVJXMKCSBTWVQC-AEFFLSMTSA-N 0 0 311.425 4.602 10 0 DJAERN Cc1csc(C2CCN(C(=O)C3(C)CCCCCC3)CC2)n1 ZINC000181906226 337185296 /nfs/dbraw/zinc/18/52/96/337185296.db2.gz FCSQPROVGVHBFP-UHFFFAOYSA-N 0 0 320.502 4.518 10 0 DJAERN CC(C)C[C@H](Nc1cccc(-c2cnco2)c1)c1ccccn1 ZINC000182830525 337188634 /nfs/dbraw/zinc/18/86/34/337188634.db2.gz DXUWWEUHYHSWBL-SFHVURJKSA-N 0 0 307.397 4.936 10 0 DJAERN CSc1cccc(C)c1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000184992807 337202231 /nfs/dbraw/zinc/20/22/31/337202231.db2.gz AEEQJTCXNSJNGN-CYBMUJFWSA-N 0 0 316.426 4.679 10 0 DJAERN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccccc1Cl ZINC000185822998 337250494 /nfs/dbraw/zinc/25/04/94/337250494.db2.gz YXGAZOKTKJZRRI-AWEZNQCLSA-N 0 0 323.827 4.648 10 0 DJAERN CCc1ccc([C@@H](C)NCc2ncc(-c3ccccc3)cn2)cc1 ZINC000186053342 337253173 /nfs/dbraw/zinc/25/31/73/337253173.db2.gz JAJGDEUGXJKBIS-MRXNPFEDSA-N 0 0 317.436 4.557 10 0 DJAERN CC(F)(F)c1cccc(NC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000187028135 337261299 /nfs/dbraw/zinc/26/12/99/337261299.db2.gz BCVPNWOMPYVIKW-CQSZACIVSA-N 0 0 320.339 4.760 10 0 DJAERN CCCCC[C@@H](CC)C(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187031705 337261306 /nfs/dbraw/zinc/26/13/06/337261306.db2.gz LTTIPMBQLUCUEB-ZBFHGGJFSA-N 0 0 308.491 4.722 10 0 DJAERN Cc1c([C@@H](C)Nc2cccc(-c3cnco3)c2)cnn1C(C)(C)C ZINC000191472088 337297278 /nfs/dbraw/zinc/29/72/78/337297278.db2.gz ROYJLFMICMYQPH-CYBMUJFWSA-N 0 0 324.428 4.775 10 0 DJAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@@H]4[C@H]3CC[C@]12C ZINC000584602439 337371050 /nfs/dbraw/zinc/37/10/50/337371050.db2.gz IYQTWWYALFUXBR-SXJNSPEGSA-N 0 0 302.458 4.737 10 0 DJAERN O=C1C[C@H](C23CC4CC(CC(C4)C2)C3)Sc2ccccc2N1 ZINC000584615779 337372838 /nfs/dbraw/zinc/37/28/38/337372838.db2.gz FDIDEPXZOJFMRM-DUKHMXAISA-N 0 0 313.466 4.706 10 0 DJAERN COc1ccc(C)c(CC[C@@H]2CCC[C@]3(C)[C@@H](O)CC[C@@H]23)c1 ZINC000584618119 337373203 /nfs/dbraw/zinc/37/32/03/337373203.db2.gz PNRGVYNNMSDGQS-KNTRFNDTSA-N 0 0 302.458 4.514 10 0 DJAERN COc1ccc(C)c(CC[C@@H]2CCC[C@]3(C)[C@H](O)CC[C@@H]23)c1 ZINC000584618246 337373243 /nfs/dbraw/zinc/37/32/43/337373243.db2.gz PNRGVYNNMSDGQS-QLIIJSOBSA-N 0 0 302.458 4.514 10 0 DJAERN COc1ccc(Oc2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC000584619315 337373380 /nfs/dbraw/zinc/37/33/80/337373380.db2.gz VCHNEXVSGLVIRC-UHFFFAOYSA-N 0 0 300.745 4.531 10 0 DJAERN CCCCOc1ccc(C(C)(C)NOCc2ccccc2)cc1 ZINC000584595133 337373920 /nfs/dbraw/zinc/37/39/20/337373920.db2.gz FGNVNMBSHDQUCH-UHFFFAOYSA-N 0 0 313.441 4.822 10 0 DJAERN CC(C)c1ccccc1NC(=O)OCC(Cl)(Cl)Cl ZINC000584622367 337375095 /nfs/dbraw/zinc/37/50/95/337375095.db2.gz OEYIHVGEXRXRBU-UHFFFAOYSA-N 0 0 310.608 4.729 10 0 DJAERN O[C@@H](c1ccccc1Cl)[C@@H](c1ccccc1)c1ccccn1 ZINC000584629422 337376492 /nfs/dbraw/zinc/37/64/92/337376492.db2.gz HXQBKTRGPKHYTM-OALUTQOASA-N 0 0 309.796 4.601 10 0 DJAERN O[C@@H](c1ccccc1Cl)[C@H](c1ccccc1)c1ccccn1 ZINC000584629418 337376499 /nfs/dbraw/zinc/37/64/99/337376499.db2.gz HXQBKTRGPKHYTM-MOPGFXCFSA-N 0 0 309.796 4.601 10 0 DJAERN C[C@](O)(c1ccccc1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000584629699 337376563 /nfs/dbraw/zinc/37/65/63/337376563.db2.gz OSQAEPGZMLGOIR-UXHICEINSA-N 0 0 323.823 4.775 10 0 DJAERN C[C@](O)(c1ccccc1Cl)[C@@H](c1ccccc1)c1ccccn1 ZINC000584629761 337376573 /nfs/dbraw/zinc/37/65/73/337376573.db2.gz RAZYYBUOXWFVBJ-PMACEKPBSA-N 0 0 323.823 4.775 10 0 DJAERN Cc1ccc([C@H]2Nc3ccccc3[C@H](c3ccccc3)N2)s1 ZINC000584656648 337378119 /nfs/dbraw/zinc/37/81/19/337378119.db2.gz XNLLGKYAUMHNJT-OALUTQOASA-N 0 0 306.434 4.860 10 0 DJAERN S=C1SC/C(=C(/Br)c2ccccc2)S1 ZINC000584657313 337378157 /nfs/dbraw/zinc/37/81/57/337378157.db2.gz WGYXASSFNWMIIH-HJWRWDBZSA-N 0 0 303.271 4.515 10 0 DJAERN CCOC(c1ccccc1)(c1ccccc1)c1ccc(CO)cc1 ZINC000584660619 337378273 /nfs/dbraw/zinc/37/82/73/337378273.db2.gz XNZVGQCKBYRIDU-UHFFFAOYSA-N 0 0 318.416 4.507 10 0 DJAERN c1ccc(-c2cc(-c3ccccc3)n3nc4ncccc4c3n2)cc1 ZINC000584662075 337378476 /nfs/dbraw/zinc/37/84/76/337378476.db2.gz OWAITKFAWXWKLI-UHFFFAOYSA-N 0 0 322.371 4.612 10 0 DJAERN Fc1cccc2c1[C@H](C[C@H](F)C1CCCCC1)n1cncc1-2 ZINC000584638955 337379713 /nfs/dbraw/zinc/37/97/13/337379713.db2.gz OHWIXLJBJCDWBA-HOTGVXAUSA-N 0 0 302.368 4.901 10 0 DJAERN Cc1cccc(-c2cnc3nc(-c4cccnc4)sc3c2)c1 ZINC000584648472 337380345 /nfs/dbraw/zinc/38/03/45/337380345.db2.gz KFRXSMIPDIERJY-UHFFFAOYSA-N 0 0 303.390 4.729 10 0 DJAERN O=C(CCc1ccc2ccccc2c1)N1CCC[C@@H]1c1ccco1 ZINC000116044310 337392275 /nfs/dbraw/zinc/39/22/75/337392275.db2.gz SJNIDEBPDFAKNT-LJQANCHMSA-N 0 0 319.404 4.729 10 0 DJAERN O=C(Nc1cccc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000116406147 337392742 /nfs/dbraw/zinc/39/27/42/337392742.db2.gz KPYZRSDTEKMWQG-KRWDZBQOSA-N 0 0 306.365 4.802 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)c2ccc3ncccc3c2)o1 ZINC000127636930 337421800 /nfs/dbraw/zinc/42/18/00/337421800.db2.gz KTNNPYCXIGHDNF-GOSISDBHSA-N 0 0 320.392 4.504 10 0 DJAERN CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1)c1ccncc1 ZINC000246727647 337554709 /nfs/dbraw/zinc/55/47/09/337554709.db2.gz DMDFOIDODKJUDB-ZCNNSNEGSA-N 0 0 322.452 4.576 10 0 DJAERN Cc1ccc(F)c(NC(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000105350429 337806318 /nfs/dbraw/zinc/80/63/18/337806318.db2.gz NLHPJTOPWWFJOY-UHFFFAOYSA-N 0 0 316.376 4.704 10 0 DJAERN C[C@H](Nc1cccc(C(F)(F)F)n1)c1cccc(Cl)c1 ZINC000044271568 337808931 /nfs/dbraw/zinc/80/89/31/337808931.db2.gz HCYHBUNPLGCSIX-VIFPVBQESA-N 0 0 300.711 4.927 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)c2cccc(F)c2)o1 ZINC000173243736 340361043 /nfs/dbraw/zinc/36/10/43/340361043.db2.gz HTDZYZHEQDJKOZ-PBHICJAKSA-N 0 0 315.388 4.584 10 0 DJAERN O=C(c1ccc(Oc2ccccc2)o1)N1CCC[C@H]1c1ccco1 ZINC000176406447 340427251 /nfs/dbraw/zinc/42/72/51/340427251.db2.gz YSFSVOZKBNQJJB-HNNXBMFYSA-N 0 0 323.348 4.642 10 0 DJAERN CCCC[C@H](CC)CNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186099923 340508176 /nfs/dbraw/zinc/50/81/76/340508176.db2.gz LOHOIFLLWDSBOR-HOCLYGCPSA-N 0 0 323.506 4.514 10 0 DJAERN Cc1ccc(CN(C)C(=O)N[C@H](C)c2ccc3ccccc3c2)o1 ZINC000194345247 340591431 /nfs/dbraw/zinc/59/14/31/340591431.db2.gz RNIHDBAAIIGPMT-OAHLLOKOSA-N 0 0 322.408 4.644 10 0 DJAERN CC1(C)CCC(CC(=O)N2CCCC[C@H]2c2nccs2)CC1 ZINC000124560627 340799735 /nfs/dbraw/zinc/79/97/35/340799735.db2.gz INFDDMNYVYMAFF-HNNXBMFYSA-N 0 0 320.502 4.803 10 0 DJAERN Cc1cccnc1CN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000071339364 341030337 /nfs/dbraw/zinc/03/03/37/341030337.db2.gz KWWQWRQFSMYPJR-SNVBAGLBSA-N 0 0 313.203 4.687 10 0 DJAERN Cc1cccc(Cl)c1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000132318391 341120515 /nfs/dbraw/zinc/12/05/15/341120515.db2.gz XYVKWGABOOCTSS-CYBMUJFWSA-N 0 0 304.777 4.610 10 0 DJAERN C[C@H](NC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc(F)c(Cl)c1 ZINC000073866479 341122290 /nfs/dbraw/zinc/12/22/90/341122290.db2.gz TVCVRCZIILQEFN-QWRGUYRKSA-N 0 0 324.827 4.513 10 0 DJAERN C[C@H](Nc1cncc(Br)c1)c1ccc(Cl)cc1 ZINC000134776448 341223927 /nfs/dbraw/zinc/22/39/27/341223927.db2.gz SAZXUJHNACUNHC-VIFPVBQESA-N 0 0 311.610 4.671 10 0 DJAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2ccccc2c1 ZINC000078491033 341242947 /nfs/dbraw/zinc/24/29/47/341242947.db2.gz WAFBVLIFZDSQFL-HZPDHXFCSA-N 0 0 321.342 4.691 10 0 DJAERN Cc1ccc([C@H](C)NC(=O)c2sc3cccc(F)c3c2C)o1 ZINC000247903068 341371058 /nfs/dbraw/zinc/37/10/58/341371058.db2.gz JBKTVODWUVXGPP-NSHDSACASA-N 0 0 317.385 4.741 10 0 DJAERN C[C@@H]([NH2+][C@@H](C)c1ccccn1)[C@H](C)c1nc2ccccc2s1 ZINC000248030322 341372461 /nfs/dbraw/zinc/37/24/61/341372461.db2.gz QGHIEWITZPFWQY-MJBXVCDLSA-N 0 0 311.454 4.534 10 0 DJAERN C[C@H](NC(=O)CCc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000248376886 341375846 /nfs/dbraw/zinc/37/58/46/341375846.db2.gz DXPSYPCTDBDMNP-HNNXBMFYSA-N 0 0 321.395 4.789 10 0 DJAERN CC[C@H](C)Sc1ccc(NC(=O)[C@@H]2CCCO[C@H]2C)c(C)c1 ZINC000249091846 341393721 /nfs/dbraw/zinc/39/37/21/341393721.db2.gz ANKJUBZUTPKLHO-OFQRWUPVSA-N 0 0 321.486 4.639 10 0 DJAERN CN(C(=O)c1ccc2cc[nH]c2c1)c1c(Cl)cccc1Cl ZINC000093262148 341463642 /nfs/dbraw/zinc/46/36/42/341463642.db2.gz OMDLUOYBJDQXND-UHFFFAOYSA-N 0 0 319.191 4.751 10 0 DJAERN CCSc1cccc(NC(=O)N[C@@H](C)c2ccc(C)o2)c1 ZINC000172216098 341794903 /nfs/dbraw/zinc/79/49/03/341794903.db2.gz BJYCZHJKGVFAGB-LBPRGKRZSA-N 0 0 304.415 4.583 10 0 DJAERN CC(=O)Nc1cccc(CSCc2cccc3cccnc32)c1 ZINC000101586241 519740981 /nfs/dbraw/zinc/74/09/81/519740981.db2.gz FVFHRXOFCIQKPD-UHFFFAOYSA-N 0 0 322.433 4.627 10 0 DJAERN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CCCO[C@H]1C ZINC000189218975 519841208 /nfs/dbraw/zinc/84/12/08/519841208.db2.gz ZXMJJMZQXCEFQB-YOEHRIQHSA-N 0 0 303.446 4.687 10 0 DJAERN CC(C)c1nccn1Cc1cccc(N[C@@H](C)c2ccncc2)c1 ZINC000179929436 519880215 /nfs/dbraw/zinc/88/02/15/519880215.db2.gz ABBOBEHIHOCDNK-INIZCTEOSA-N 0 0 320.440 4.623 10 0 DJAERN CC[C@H](N[C@H](c1nc(C2CC2)no1)C(C)C)c1ccccc1F ZINC000180897297 522751090 /nfs/dbraw/zinc/75/10/90/522751090.db2.gz HELWSVLGWDJXDY-HOTGVXAUSA-N 0 0 317.408 4.524 10 0 DJAERN CC[C@@H](N[C@@H](c1nc(C2CC2)no1)C(C)C)c1ccccc1F ZINC000180897280 522922597 /nfs/dbraw/zinc/92/25/97/522922597.db2.gz HELWSVLGWDJXDY-HZPDHXFCSA-N 0 0 317.408 4.524 10 0 DJAERN CCc1ccc([C@@H]2CCCCN2C(=O)Nc2ccsc2)o1 ZINC000162307867 524035518 /nfs/dbraw/zinc/03/55/18/524035518.db2.gz SPUUCCNAZGZWNB-AWEZNQCLSA-N 0 0 304.415 4.663 10 0 DJAERN Cc1ccccc1[S@@](=O)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000157088490 525450655 /nfs/dbraw/zinc/45/06/55/525450655.db2.gz IQOMPEIFKXUDNR-RCDICMHDSA-N 0 0 311.406 4.519 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc3[nH]ccc3c2)o1 ZINC000159002517 525992831 /nfs/dbraw/zinc/99/28/31/525992831.db2.gz PIVXIRSCIQAHOU-QGZVFWFLSA-N 0 0 323.396 4.828 10 0 DJAERN Cc1ccc2c(c1)C(C)(C)CC(=O)N2c1cnc2ccccc2c1 ZINC000090396758 526143589 /nfs/dbraw/zinc/14/35/89/526143589.db2.gz NBUVFZVVRGAYKJ-UHFFFAOYSA-N 0 0 316.404 4.889 10 0 DJAERN CC[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C ZINC000004775273 560199934 /nfs/dbraw/zinc/19/99/34/560199934.db2.gz NVYBDSYHTNOJSQ-MJCUULBUSA-N 0 0 314.469 4.692 10 0 in-vitro DJAERN Cc1cccc(Oc2ncc(F)c(Oc3cccc(C)c3)n2)c1 ZINC000000044216 563211766 /nfs/dbraw/zinc/21/17/66/563211766.db2.gz ZJIQIXWHBMLKHK-UHFFFAOYSA-N 0 0 310.328 4.817 10 0 DJAERN Clc1cccc(-c2nc(COc3ccccc3Cl)no2)c1 ZINC000034907048 563324663 /nfs/dbraw/zinc/32/46/63/563324663.db2.gz OATZTQQJTXMRJI-UHFFFAOYSA-N 0 0 321.163 4.622 10 0 DJAERN CSc1ccc(-c2ncnn2-c2ccc(C)c(Cl)c2)cc1 ZINC000000181006 563412990 /nfs/dbraw/zinc/41/29/90/563412990.db2.gz PQWIREVVYJUFOS-UHFFFAOYSA-N 0 0 315.829 4.618 10 0 DJAERN CCOC(=O)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1 ZINC000048513442 563466684 /nfs/dbraw/zinc/46/66/84/563466684.db2.gz XIJADQHBXVKIJC-UHFFFAOYSA-N 0 0 324.405 4.730 10 0 DJAERN Cc1ccc(-c2nc(Cl)nc3sc4c(c32)CCC4)cc1 ZINC000097049003 563537925 /nfs/dbraw/zinc/53/79/25/563537925.db2.gz FXBZIWDYCAZKKH-UHFFFAOYSA-N 0 0 300.814 4.809 10 0 DJAERN CC(C)(C)OC(=O)Nc1ccc(-c2ccnc3[nH]ccc32)cc1 ZINC000097673644 563540923 /nfs/dbraw/zinc/54/09/23/563540923.db2.gz JKMCDHICNZZMFD-UHFFFAOYSA-N 0 0 309.369 4.577 10 0 DJAERN Cc1c(Br)cccc1-c1ccc([C@H]2CCO2)cc1 ZINC000725265264 563571046 /nfs/dbraw/zinc/57/10/46/563571046.db2.gz VKRALXYYCDWTFI-MRXNPFEDSA-N 0 0 303.199 4.886 10 0 DJAERN CCC[C@H]1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1 ZINC000725265675 563571322 /nfs/dbraw/zinc/57/13/22/563571322.db2.gz SYYZFMAKNJZSMV-NSHDSACASA-N 0 0 319.246 4.744 10 0 DJAERN Oc1cc2ccc(Br)cc2nc1C1CCCCC1 ZINC000725267795 563574003 /nfs/dbraw/zinc/57/40/03/563574003.db2.gz YQBNGZJBCLANAK-UHFFFAOYSA-N 0 0 306.203 4.751 10 0 DJAERN Cc1nn(C(C)(C)C)cc1[C@H](C)Nc1ccc2ccccc2n1 ZINC000130503990 334926662 /nfs/dbraw/zinc/92/66/62/334926662.db2.gz OHEMBEYHSNFOEU-ZDUSSCGKSA-N 0 0 308.429 4.668 10 0 DJAERN C[C@@H]1CNc2ccccc2N1Cc1ccc(Cl)c(Cl)c1 ZINC000076970145 185062444 /nfs/dbraw/zinc/06/24/44/185062444.db2.gz NYRGOEVBIMKESB-LLVKDONJSA-N 0 0 307.224 4.814 10 0 DJAERN O[C@@H](c1cccs1)c1ccc(Br)c2ccccc21 ZINC000083165704 185215662 /nfs/dbraw/zinc/21/56/62/185215662.db2.gz ILUOFCDCSJGUDH-OAHLLOKOSA-N 0 0 319.223 4.746 10 0 DJAERN C=C1S[C@H](c2ccccc2)C(=O)N1c1c(C)cccc1CC ZINC000090415655 185295202 /nfs/dbraw/zinc/29/52/02/185295202.db2.gz FGGOJBRGXLLVLJ-GOSISDBHSA-N 0 0 309.434 4.850 10 0 DJAERN CCCCc1[nH]ccc(=O)c1Cc1c(Cl)cccc1Cl ZINC000090428520 185295667 /nfs/dbraw/zinc/29/56/67/185295667.db2.gz RSCMUQBXDFATJG-UHFFFAOYSA-N 0 0 310.224 4.615 10 0 DJAERN c1ccc2cc(CNc3cncc(-c4ccncc4)c3)ccc2c1 ZINC000090583883 185305286 /nfs/dbraw/zinc/30/52/86/185305286.db2.gz USJHXSKLIXCVDQ-UHFFFAOYSA-N 0 0 311.388 4.909 10 0 DJAERN CC1(C)CC(=O)N(c2cnc3ccccc3c2)c2ccc(F)cc21 ZINC000090558440 185303254 /nfs/dbraw/zinc/30/32/54/185303254.db2.gz VFOVFVXBZCMBPS-UHFFFAOYSA-N 0 0 320.367 4.720 10 0 DJAERN Cc1ccc(C(=O)Oc2c(C)cccc2C)cc1Br ZINC000000505118 190615005 /nfs/dbraw/zinc/61/50/05/190615005.db2.gz YYEQXSJSWIHLCW-UHFFFAOYSA-N 0 0 319.198 4.594 10 0 DJAERN CC(=O)c1c(Cl)n(Cc2ccccc2)c2c1cccc2F ZINC000071465975 190979695 /nfs/dbraw/zinc/97/96/95/190979695.db2.gz MKTWCFJMHSONQX-UHFFFAOYSA-N 0 0 301.748 4.685 10 0 DJAERN FC(F)(F)c1ccccc1-c1cncc(Br)c1 ZINC000072192740 191073512 /nfs/dbraw/zinc/07/35/12/191073512.db2.gz ABDSTMRLBJFTJF-UHFFFAOYSA-N 0 0 302.093 4.530 10 0 DJAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2ccccc2)s1 ZINC000072260834 191088890 /nfs/dbraw/zinc/08/88/90/191088890.db2.gz QCVSXJYVTYZQFK-UHFFFAOYSA-N 0 0 318.405 4.805 10 0 DJAERN COc1ccc(Nc2nccc(/C=C/c3cccc(C)c3)n2)cc1 ZINC000072443700 191169484 /nfs/dbraw/zinc/16/94/84/191169484.db2.gz MALJEUARTOXQLO-VOTSOKGWSA-N 0 0 317.392 4.708 10 0 DJAERN CCc1ccc(OC(=O)c2cccc(C)c2)c(Br)c1 ZINC000000491507 180807177 /nfs/dbraw/zinc/80/71/77/180807177.db2.gz DZYHJXMPOVPOHO-UHFFFAOYSA-N 0 0 319.198 4.539 10 0 DJAERN COc1cccc(C(=O)Oc2ccc3oc4c(c3c2)CCCC4)c1 ZINC000000506071 180809473 /nfs/dbraw/zinc/80/94/73/180809473.db2.gz NMSSYAOMUFXHDY-UHFFFAOYSA-N 0 0 322.360 4.539 10 0 DJAERN Cc1ccccc1OCc1nc2ccccc2n1CCC(C)C ZINC000001473114 180869475 /nfs/dbraw/zinc/86/94/75/180869475.db2.gz KZDXQSYJMJDVKL-UHFFFAOYSA-N 0 0 308.425 4.970 10 0 DJAERN O=C(c1cccn1-c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000002564954 180935746 /nfs/dbraw/zinc/93/57/46/180935746.db2.gz LCYLKCKQRRDVQU-UHFFFAOYSA-N 0 0 323.006 4.684 10 0 DJAERN Cc1sc2ncnc(N[C@@H](C)c3ccc(F)cc3)c2c1C ZINC000003568215 181036489 /nfs/dbraw/zinc/03/64/89/181036489.db2.gz YZAMEZDFZNLJQM-JTQLQIEISA-N 0 0 301.390 4.620 10 0 DJAERN Oc1ccc(-c2ccc3c(O)cccc3c2)c(C(F)(F)F)c1 ZINC000073196548 191290045 /nfs/dbraw/zinc/29/00/45/191290045.db2.gz RSPQKOGSXGQGTP-UHFFFAOYSA-N 0 0 304.267 4.937 10 0 DJAERN CCCCC/C=C/C/C=C/CCCCCCCC(=O)NCCO ZINC000003871542 181050962 /nfs/dbraw/zinc/05/09/62/181050962.db2.gz KQXDGUVSAAQARU-AVQMFFATSA-N 0 0 323.521 4.908 10 0 DJAERN Cc1ccc2c(c1)/C(=C/c1cccnc1)c1nc3ccccc3nc1-2 ZINC000004004524 181061446 /nfs/dbraw/zinc/06/14/46/181061446.db2.gz OKOAKZCRBNMZSV-PDGQHHTCSA-N 0 0 321.383 4.903 10 0 DJAERN O=Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc21 ZINC000004201725 181084659 /nfs/dbraw/zinc/08/46/59/181084659.db2.gz CQILBXMVRTYMAG-UHFFFAOYSA-N 0 0 310.736 4.525 10 0 DJAERN CC(C)(C)C(=O)Nc1nc2c(cc(Cl)cc2Cl)s1 ZINC000004331276 181098526 /nfs/dbraw/zinc/09/85/26/181098526.db2.gz IMDOYLVYIWDAOF-UHFFFAOYSA-N 0 0 303.214 4.588 10 0 DJAERN Cc1cc(Cl)cc2sc(NC(=O)c3ccccc3C)nc21 ZINC000004331282 181098706 /nfs/dbraw/zinc/09/87/06/181098706.db2.gz CUAFIAFQGICGKI-UHFFFAOYSA-N 0 0 316.813 4.819 10 0 DJAERN Cc1ccc(C)c(C(=O)Nc2nc3cc(C)cc(C)c3s2)c1 ZINC000004331509 181098826 /nfs/dbraw/zinc/09/88/26/181098826.db2.gz ZAEKKXLDZJBJBN-UHFFFAOYSA-N 0 0 310.422 4.782 10 0 DJAERN Cc1ccc(C(=O)Nc2nc3c(cc(Cl)cc3C)s2)cc1 ZINC000004330752 181098834 /nfs/dbraw/zinc/09/88/34/181098834.db2.gz KWOZNUGXBCCCFX-UHFFFAOYSA-N 0 0 316.813 4.819 10 0 DJAERN CCc1cccc2sc(NC(=O)c3ccc(C)c(C)c3)nc21 ZINC000004348443 181101057 /nfs/dbraw/zinc/10/10/57/181101057.db2.gz KRCIEZPBCQOOAF-UHFFFAOYSA-N 0 0 310.422 4.728 10 0 DJAERN CCn1c(C(=O)Nc2ccccc2C)cc2sc(Cl)cc21 ZINC000005036594 181194439 /nfs/dbraw/zinc/19/44/39/181194439.db2.gz NZGASCIGLPIWLY-UHFFFAOYSA-N 0 0 318.829 4.937 10 0 DJAERN Cc1ccc(CC(=O)Nc2nc3c(cc(C)cc3C)s2)c(C)c1 ZINC000005267964 181224015 /nfs/dbraw/zinc/22/40/15/181224015.db2.gz ZSNGOGXUWJFTFU-UHFFFAOYSA-N 0 0 324.449 4.711 10 0 DJAERN CCCc1cc2c3ccccc3n(C)c2c(C)c1C(=O)OCC ZINC000005311236 181228418 /nfs/dbraw/zinc/22/84/18/181228418.db2.gz JUVFEDGEDZGPJO-UHFFFAOYSA-N 0 0 309.409 4.769 10 0 DJAERN CCc1ccc(OCCCC(=O)Nc2c(C)cccc2C)cc1 ZINC000005657938 181268509 /nfs/dbraw/zinc/26/85/09/181268509.db2.gz FYXCAPUMDGUYAW-UHFFFAOYSA-N 0 0 311.425 4.664 10 0 DJAERN CCCc1ccc(OCC(=O)Nc2ccc(Cl)cc2C)cc1 ZINC000005708297 181275261 /nfs/dbraw/zinc/27/52/61/181275261.db2.gz YEBQUOQDBBQHCV-UHFFFAOYSA-N 0 0 317.816 4.618 10 0 DJAERN O=C(Oc1c(Cl)cc(Cl)c2cccnc21)c1ccccc1 ZINC000006095840 181312423 /nfs/dbraw/zinc/31/24/23/181312423.db2.gz ULENYZCLSHUPHW-UHFFFAOYSA-N 0 0 318.159 4.761 10 0 DJAERN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCCCCC1 ZINC000006284180 181326692 /nfs/dbraw/zinc/32/66/92/181326692.db2.gz FTYKJKCEQNKOGK-CSKARUKUSA-N 0 0 312.240 4.846 10 0 DJAERN CCCCC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2C)cc1 ZINC000006396706 181337120 /nfs/dbraw/zinc/33/71/20/181337120.db2.gz OWVUBXJFESEPHH-UHFFFAOYSA-N 0 0 324.424 4.684 10 0 DJAERN O=C(Nc1nc(-c2cccs2)cs1)Nc1ccccc1 ZINC000006597713 181359371 /nfs/dbraw/zinc/35/93/71/181359371.db2.gz TWWLCEGDKFENLS-UHFFFAOYSA-N 0 0 301.396 4.516 10 0 DJAERN CC[C@@H](C)Nc1nc(-c2ccco2)nc2cc(Cl)ccc21 ZINC000006775057 181386546 /nfs/dbraw/zinc/38/65/46/181386546.db2.gz GIOYOQZNSQDYKM-SNVBAGLBSA-N 0 0 301.777 4.754 10 0 DJAERN c1coc(-c2nc3ccccc3c(NCc3ccccc3)n2)c1 ZINC000006773541 181386655 /nfs/dbraw/zinc/38/66/55/181386655.db2.gz PGJBZYHPJFYHPO-UHFFFAOYSA-N 0 0 301.349 4.502 10 0 DJAERN CC(C)c1nnc(SCc2c(Cl)cccc2Cl)[nH]1 ZINC000006782169 181387319 /nfs/dbraw/zinc/38/73/19/181387319.db2.gz IEYOGKFJKSTPGL-UHFFFAOYSA-N 0 0 302.230 4.527 10 0 DJAERN CC(C)(C)OC(=O)N1CCC2(CCc3ccc(Cl)cc32)CC1 ZINC000091302920 193035156 /nfs/dbraw/zinc/03/51/56/193035156.db2.gz VYXHNAJIDSFZGU-UHFFFAOYSA-N 0 0 321.848 4.555 10 0 DJAERN CC[C@@H](C)N1C(=O)c2ccccc2N[C@H]1c1c[nH]c2ccccc21 ZINC000007088192 181437896 /nfs/dbraw/zinc/43/78/96/181437896.db2.gz HMEQSEXRQBDNNR-BFUOFWGJSA-N 0 0 319.408 4.533 10 0 DJAERN Brc1ccc2nc(-c3cc4ccccc4o3)cn2c1 ZINC000095081716 193418521 /nfs/dbraw/zinc/41/85/21/193418521.db2.gz QGAMDKGESQIKKO-UHFFFAOYSA-N 0 0 313.154 4.510 10 0 DJAERN O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1cccs1 ZINC000008190286 181533632 /nfs/dbraw/zinc/53/36/32/181533632.db2.gz IUVLBKJAPQBHMK-UHFFFAOYSA-N 0 0 320.373 4.809 10 0 DJAERN O=C(CCCSc1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000009909417 181646734 /nfs/dbraw/zinc/64/67/34/181646734.db2.gz FIQOCDMOBUZSED-UHFFFAOYSA-N 0 0 323.820 4.990 10 0 DJAERN Cc1nc(NC(=O)c2ccc(Cc3ccccc3)cc2)sc1C ZINC000010590575 181674650 /nfs/dbraw/zinc/67/46/50/181674650.db2.gz PEADSTKZFRWVFR-UHFFFAOYSA-N 0 0 322.433 4.603 10 0 DJAERN COc1ccc2[nH]c(C(=O)c3ccc(C(C)(C)C)cc3)cc2c1 ZINC000013471008 181853478 /nfs/dbraw/zinc/85/34/78/181853478.db2.gz XDTHJNZUSZVPCC-UHFFFAOYSA-N 0 0 307.393 4.705 10 0 DJAERN CCOc1ccc(/C=C/C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000013620528 181869536 /nfs/dbraw/zinc/86/95/36/181869536.db2.gz WUKYBJXUWQUWBJ-BJMVGYQFSA-N 0 0 319.763 4.530 10 0 DJAERN COc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000015588061 182008180 /nfs/dbraw/zinc/00/81/80/182008180.db2.gz DEQIQHQWIFNMFF-CMDGGOBGSA-N 0 0 322.191 4.654 10 0 DJAERN C[C@H](NC(=O)c1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC000016018191 182029214 /nfs/dbraw/zinc/02/92/14/182029214.db2.gz IBCBEXATMGUUFY-VIFPVBQESA-N 0 0 312.171 4.624 10 0 DJAERN Cc1ccc(C)c([C@H](C)NC(=O)c2cc(Cl)ccc2F)c1 ZINC000018014284 182089650 /nfs/dbraw/zinc/08/96/50/182089650.db2.gz NKRYJMTVEXQILV-LBPRGKRZSA-N 0 0 305.780 4.587 10 0 DJAERN C[C@@H](Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000019230239 182108943 /nfs/dbraw/zinc/10/89/43/182108943.db2.gz HFSROVRNSPDALA-SNVBAGLBSA-N 0 0 324.207 4.938 10 0 DJAERN CC(C)(C)c1ccc(NCc2ccc(Br)o2)cc1 ZINC000019905414 182162165 /nfs/dbraw/zinc/16/21/65/182162165.db2.gz YYMZBATVPWQNLE-UHFFFAOYSA-N 0 0 308.219 4.952 10 0 DJAERN COc1cccc([C@@H](C)Nc2ccc(C)cc2Br)c1 ZINC000019901632 182162367 /nfs/dbraw/zinc/16/23/67/182162367.db2.gz QNBSUGUYEOUGSB-GFCCVEGCSA-N 0 0 320.230 4.939 10 0 DJAERN Cc1cc(Br)ccc1N[C@H](C)c1ccc(O)cc1 ZINC000019905588 182162426 /nfs/dbraw/zinc/16/24/26/182162426.db2.gz FXMUHWYAAMLUKB-LLVKDONJSA-N 0 0 306.203 4.636 10 0 DJAERN Cc1ccc(N[C@H](C)c2cccc(O)c2)c(Br)c1 ZINC000019901654 182162607 /nfs/dbraw/zinc/16/26/07/182162607.db2.gz PARRNYRLXVIEQO-LLVKDONJSA-N 0 0 306.203 4.636 10 0 DJAERN C[C@H](Nc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC000019908001 182163087 /nfs/dbraw/zinc/16/30/87/182163087.db2.gz WTUHSQLXQGFMPY-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN C[C@@H](Nc1cc(F)ccc1F)c1ccc(Br)cc1 ZINC000019907804 182163302 /nfs/dbraw/zinc/16/33/02/182163302.db2.gz VQUZDHFUOHJDAI-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN C[C@H]1C[C@H]1c1ccc(CNc2ccccc2Br)o1 ZINC000019922585 182164246 /nfs/dbraw/zinc/16/42/46/182164246.db2.gz BNKGCXUDUYVKME-CMPLNLGQSA-N 0 0 306.203 4.778 10 0 DJAERN CC[C@H](Nc1ccccc1Br)c1ccc(O)cc1 ZINC000019922720 182164323 /nfs/dbraw/zinc/16/43/23/182164323.db2.gz WQYDFPFIMWCSFW-AWEZNQCLSA-N 0 0 306.203 4.718 10 0 DJAERN CC[C@@H](Nc1ccccc1Br)c1ccc(O)cc1 ZINC000019922717 182164385 /nfs/dbraw/zinc/16/43/85/182164385.db2.gz WQYDFPFIMWCSFW-CQSZACIVSA-N 0 0 306.203 4.718 10 0 DJAERN COc1ccc([C@@H](C)Nc2ccccc2Br)cc1 ZINC000019922681 182164404 /nfs/dbraw/zinc/16/44/04/182164404.db2.gz PRGVHPUTKJDEAC-LLVKDONJSA-N 0 0 306.203 4.631 10 0 DJAERN CC(=O)c1cc(F)ccc1Oc1ccc(Br)cc1 ZINC000019871486 182159375 /nfs/dbraw/zinc/15/93/75/182159375.db2.gz ASVOEEKBKQCHHG-UHFFFAOYSA-N 0 0 309.134 4.583 10 0 DJAERN CCCCOc1ccc(Nc2ncnc3sc(C)cc32)cc1 ZINC000019948762 182169158 /nfs/dbraw/zinc/16/91/58/182169158.db2.gz HHWUISUPOOYPDE-UHFFFAOYSA-N 0 0 313.426 4.922 10 0 DJAERN Cc1cc2c(ncnc2Nc2ccc(Br)cc2)s1 ZINC000019948671 182169448 /nfs/dbraw/zinc/16/94/48/182169448.db2.gz NXRRDGFGWCEPLE-UHFFFAOYSA-N 0 0 320.215 4.506 10 0 DJAERN C[C@H](Nc1ccc(F)cc1F)c1cccc(Br)c1 ZINC000019951921 182169550 /nfs/dbraw/zinc/16/95/50/182169550.db2.gz NYJYCOJSUGZKQL-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN CC[C@@H](Nc1ccc(OC)cc1OC)c1ccc(Cl)cc1 ZINC000019978654 182172940 /nfs/dbraw/zinc/17/29/40/182172940.db2.gz UEKSREDTGZIPNO-OAHLLOKOSA-N 0 0 305.805 4.920 10 0 DJAERN Cc1ccc(CNc2c(C)cc(Br)cc2C)cc1 ZINC000019987118 182173926 /nfs/dbraw/zinc/17/39/26/182173926.db2.gz CCNOSEUSBCTKLO-UHFFFAOYSA-N 0 0 304.231 4.986 10 0 DJAERN Fc1ccc(CNc2ccccc2SC(F)F)cc1F ZINC000020021398 182179597 /nfs/dbraw/zinc/17/95/97/182179597.db2.gz PWZPPMNQIZUUDK-UHFFFAOYSA-N 0 0 301.308 4.892 10 0 DJAERN CSc1ccc(CNc2ccccc2Br)cc1 ZINC000020090201 182186167 /nfs/dbraw/zinc/18/61/67/182186167.db2.gz ZMASABAVJWPUDN-UHFFFAOYSA-N 0 0 308.244 4.783 10 0 DJAERN CC(=O)c1ccc(Oc2ccc(C)cc2Br)cc1 ZINC000020077933 182185604 /nfs/dbraw/zinc/18/56/04/182185604.db2.gz HQCVOQCYPBPCRA-UHFFFAOYSA-N 0 0 305.171 4.752 10 0 DJAERN Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(N)c1 ZINC000020193799 182196022 /nfs/dbraw/zinc/19/60/22/182196022.db2.gz DBAYPOGWDJJECS-UHFFFAOYSA-N 0 0 302.805 4.606 10 0 DJAERN Brc1cccc(NCc2ccc3ccccc3n2)c1 ZINC000020246276 182200456 /nfs/dbraw/zinc/20/04/56/182200456.db2.gz NTWRZYWTNZZIKY-UHFFFAOYSA-N 0 0 313.198 4.609 10 0 DJAERN CCCCC1CCC(C(=O)Nc2ccc(Cl)c(N)c2)CC1 ZINC000020344685 182209728 /nfs/dbraw/zinc/20/97/28/182209728.db2.gz XKCNXALKIPHBEG-UHFFFAOYSA-N 0 0 308.853 4.857 10 0 DJAERN C[C@H](Nc1ccc(F)cc1Br)c1ccccc1F ZINC000020430516 182216323 /nfs/dbraw/zinc/21/63/23/182216323.db2.gz QBHFCLCDXQAPHW-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN Fc1ccc(N[C@H]2CCOc3ccccc32)c(Br)c1 ZINC000020430341 182216652 /nfs/dbraw/zinc/21/66/52/182216652.db2.gz ARFUGQCTRXULED-ZDUSSCGKSA-N 0 0 322.177 4.524 10 0 DJAERN Cc1ccc(C)c(NCc2cc(Br)ccc2F)c1 ZINC000020567227 182233589 /nfs/dbraw/zinc/23/35/89/182233589.db2.gz PJEZMWRXRNJAPO-UHFFFAOYSA-N 0 0 308.194 4.817 10 0 DJAERN Nc1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000020521695 182226323 /nfs/dbraw/zinc/22/63/23/182226323.db2.gz DDVAXLBVKMZWAO-UHFFFAOYSA-N 0 0 302.588 4.808 10 0 DJAERN S=C(Nc1ccccc1)N(Cc1ccco1)C1CCCCC1 ZINC000020523352 182227195 /nfs/dbraw/zinc/22/71/95/182227195.db2.gz NOBAKTDNIMTZFJ-UHFFFAOYSA-N 0 0 314.454 4.811 10 0 DJAERN Cc1ccc(Cl)c(NC(=O)c2cccnc2Cl)c1Cl ZINC000021014388 182260468 /nfs/dbraw/zinc/26/04/68/182260468.db2.gz HDDJLECHQJPXPQ-UHFFFAOYSA-N 0 0 315.587 4.603 10 0 DJAERN COc1ccc(Cl)cc1/C=C/C(=O)Nc1ccc(C)c(C)c1 ZINC000021022741 182261418 /nfs/dbraw/zinc/26/14/18/182261418.db2.gz RVSFJNHBGYXGPB-WEVVVXLNSA-N 0 0 315.800 4.617 10 0 DJAERN Cc1cccc(Nc2ncnc3onc(-c4ccccc4C)c32)c1 ZINC000021714662 182284872 /nfs/dbraw/zinc/28/48/72/182284872.db2.gz QWZNOMARXAOYHT-UHFFFAOYSA-N 0 0 316.364 4.645 10 0 DJAERN Cc1ccc(Cl)c(NC(=O)c2ccnc(Cl)c2)c1Cl ZINC000021517988 182278049 /nfs/dbraw/zinc/27/80/49/182278049.db2.gz BFHBLZOMLCNGIH-UHFFFAOYSA-N 0 0 315.587 4.603 10 0 DJAERN Cc1ccc(NCc2cc(Br)ccc2F)c(C)c1 ZINC000021805663 182291221 /nfs/dbraw/zinc/29/12/21/182291221.db2.gz BLUWSKAGRBCHOA-UHFFFAOYSA-N 0 0 308.194 4.817 10 0 DJAERN c1ccc(COc2cccc(CCNc3ccccc3)c2)cc1 ZINC000021987152 182302374 /nfs/dbraw/zinc/30/23/74/182302374.db2.gz DARGEDXEYCKUSH-UHFFFAOYSA-N 0 0 303.405 4.920 10 0 DJAERN Nc1ccc(-c2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000021950583 182299751 /nfs/dbraw/zinc/29/97/51/182299751.db2.gz FUMXURMEISOSJC-UHFFFAOYSA-N 0 0 305.221 4.973 10 0 DJAERN COc1c(C[C@@H](O)c2ccccc2)cccc1-c1ccccc1 ZINC000098177875 193791271 /nfs/dbraw/zinc/79/12/71/193791271.db2.gz OWFLTRZVWDNOFJ-HXUWFJFHSA-N 0 0 304.389 4.638 10 0 DJAERN C(=C\C1=NN(c2ccccc2)[C@H](c2ccco2)C1)\c1ccco1 ZINC000033456546 182713331 /nfs/dbraw/zinc/71/33/31/182713331.db2.gz VLTZONYFQFOYOS-LENZSSGSSA-N 0 0 304.349 4.893 10 0 DJAERN Cc1ccc2c(c1)occ(-c1cccc(C(F)(F)F)c1)c2=O ZINC000034909573 182743145 /nfs/dbraw/zinc/74/31/45/182743145.db2.gz VSTONVFLDXINGU-UHFFFAOYSA-N 0 0 304.267 4.787 10 0 DJAERN C[C@@](O)(c1ccc(F)cc1)c1cc(F)c(Cl)cc1Cl ZINC000037735292 182921599 /nfs/dbraw/zinc/92/15/99/182921599.db2.gz PIAFYAKYIZJTQP-CQSZACIVSA-N 0 0 303.135 4.527 10 0 DJAERN Cc1ncc(CNc2ccc(Cl)cc2C(F)(F)F)s1 ZINC000037797020 182926400 /nfs/dbraw/zinc/92/64/00/182926400.db2.gz QVKLQFXTPJLUBA-UHFFFAOYSA-N 0 0 306.740 4.736 10 0 DJAERN Cc1nc(Cc2ccc(Cl)cc2Cl)nc(Cl)c1C ZINC000037947838 182942127 /nfs/dbraw/zinc/94/21/27/182942127.db2.gz KWYSHCBXGKZQFN-UHFFFAOYSA-N 0 0 301.604 4.644 10 0 DJAERN Nc1ccc(Cl)c(Nc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000038033896 182974414 /nfs/dbraw/zinc/97/44/14/182974414.db2.gz UONAHANGEIXSBD-UHFFFAOYSA-N 0 0 322.117 4.733 10 0 DJAERN C[C@@H](Nc1cccnc1Cl)c1ccc(Br)s1 ZINC000038002662 182958761 /nfs/dbraw/zinc/95/87/61/182958761.db2.gz MREXLZVYGJNBGO-SSDOTTSWSA-N 0 0 317.639 4.732 10 0 DJAERN CCc1c(C)nc(-c2ccccc2C(F)(F)F)nc1Cl ZINC000038004074 182959375 /nfs/dbraw/zinc/95/93/75/182959375.db2.gz DPXXNURIQFEWLT-UHFFFAOYSA-N 0 0 300.711 4.687 10 0 DJAERN CCc1ccc(C(=O)Nc2cc(C)nc3c(C)cc(C)cc23)cc1 ZINC000040177071 183043900 /nfs/dbraw/zinc/04/39/00/183043900.db2.gz VHLYIWUGGUJKAT-UHFFFAOYSA-N 0 0 318.420 4.975 10 0 DJAERN COc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)oc1C ZINC000040178691 183043910 /nfs/dbraw/zinc/04/39/10/183043910.db2.gz GOKHJXSIMJIGKG-UHFFFAOYSA-N 0 0 321.376 4.824 10 0 DJAERN CCc1nc2ccccc2n1CCCOc1cc(C)cc(C)c1 ZINC000040227409 183047529 /nfs/dbraw/zinc/04/75/29/183047529.db2.gz DWLUENSDNMGJIE-UHFFFAOYSA-N 0 0 308.425 4.685 10 0 DJAERN COc1ccccc1Cn1c2ccccc2nc1-c1cccs1 ZINC000040239110 183048420 /nfs/dbraw/zinc/04/84/20/183048420.db2.gz HIKQCWVSAKSFJU-UHFFFAOYSA-N 0 0 320.417 4.822 10 0 DJAERN COc1ccc(Cn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000040239337 183048825 /nfs/dbraw/zinc/04/88/25/183048825.db2.gz QGEGCSUYVRAYJK-UHFFFAOYSA-N 0 0 314.388 4.760 10 0 DJAERN CCCCSc1ncnc2c1sc1nc(C)cc(C)c12 ZINC000040373611 183056832 /nfs/dbraw/zinc/05/68/32/183056832.db2.gz HQGWXKYVJFSXML-UHFFFAOYSA-N 0 0 303.456 4.749 10 0 DJAERN Cc1cc(NC(=O)c2cccs2)c2ccc(Cl)c(C)c2n1 ZINC000040359486 183057342 /nfs/dbraw/zinc/05/73/42/183057342.db2.gz RMNRQSSVXBYQLV-UHFFFAOYSA-N 0 0 316.813 4.819 10 0 DJAERN COCCCn1c2ccc(Cl)cc2nc1-c1cccc(C)c1 ZINC000040402847 183061433 /nfs/dbraw/zinc/06/14/33/183061433.db2.gz BPOXHYKHUGJKHA-UHFFFAOYSA-N 0 0 314.816 4.702 10 0 DJAERN CCn1c(COc2cccc(C)c2)nc2ccc(Cl)cc21 ZINC000040417231 183063720 /nfs/dbraw/zinc/06/37/20/183063720.db2.gz UUHLLKAQDYKDML-UHFFFAOYSA-N 0 0 300.789 4.597 10 0 DJAERN Cc1cc(C)cc(Nc2ncnc(Sc3ccccc3)c2N)c1 ZINC000040682031 183117242 /nfs/dbraw/zinc/11/72/42/183117242.db2.gz HFXDPGWXAKEXDT-UHFFFAOYSA-N 0 0 322.437 4.570 10 0 DJAERN Cc1ccc(Oc2ncnc(Sc3ccccc3)c2N)cc1C ZINC000040783251 183134055 /nfs/dbraw/zinc/13/40/55/183134055.db2.gz WJXKNSQJSIFTOQ-UHFFFAOYSA-N 0 0 323.421 4.619 10 0 DJAERN COc1cccc2sc3nc(-c4ccc(Cl)cc4)cn3c21 ZINC000040964629 183152005 /nfs/dbraw/zinc/15/20/05/183152005.db2.gz ZENHOKPMLFQVGM-UHFFFAOYSA-N 0 0 314.797 4.878 10 0 DJAERN Clc1ccc(-c2cn3nc(C4CC4)sc3n2)cc1Cl ZINC000040963988 183152055 /nfs/dbraw/zinc/15/20/55/183152055.db2.gz YAYJLMCLDGYEQS-UHFFFAOYSA-N 0 0 310.209 4.642 10 0 DJAERN COc1cccc2sc3nc(-c4ccc(F)cc4)c(C)n3c21 ZINC000040964622 183152324 /nfs/dbraw/zinc/15/23/24/183152324.db2.gz GQEBZPPROJSEBR-UHFFFAOYSA-N 0 0 312.369 4.672 10 0 DJAERN CCC(CC)c1nn2c(C)c(-c3ccc(F)cc3)nc2s1 ZINC000040963808 183152407 /nfs/dbraw/zinc/15/24/07/183152407.db2.gz LSXOOTSGOGXBAJ-UHFFFAOYSA-N 0 0 303.406 4.809 10 0 DJAERN CCOc1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn21 ZINC000040964331 183152440 /nfs/dbraw/zinc/15/24/40/183152440.db2.gz OZKOPENZJYXMMG-UHFFFAOYSA-N 0 0 308.406 4.923 10 0 DJAERN Cc1ccc([C@H](C)Nc2ccc(Br)cc2N)s1 ZINC000042599495 183289478 /nfs/dbraw/zinc/28/94/78/183289478.db2.gz WAHPKWXUNWEKRK-VIFPVBQESA-N 0 0 311.248 4.574 10 0 DJAERN Oc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000043476736 183365895 /nfs/dbraw/zinc/36/58/95/183365895.db2.gz NRTPRCRHRJUMPD-UHFFFAOYSA-N 0 0 301.695 4.677 10 0 DJAERN Nc1ccc(SCc2cc(Br)cs2)c(F)c1 ZINC000043687605 183381184 /nfs/dbraw/zinc/38/11/84/183381184.db2.gz VMJSEQHMDCSSFW-UHFFFAOYSA-N 0 0 318.236 4.524 10 0 DJAERN Fc1c(Cl)cccc1Nc1nc(Cl)c2c(n1)CCCC2 ZINC000057343472 184034438 /nfs/dbraw/zinc/03/44/38/184034438.db2.gz IJBRPBDXWNLDIO-UHFFFAOYSA-N 0 0 312.175 4.545 10 0 DJAERN Clc1ccc(Cc2nc(Cl)cc(Cl)n2)c(Cl)c1 ZINC000058049148 184071150 /nfs/dbraw/zinc/07/11/50/184071150.db2.gz QPVBKPJZJQARCT-UHFFFAOYSA-N 0 0 307.995 4.681 10 0 DJAERN C[C@@H](CCNc1ccc(N)cc1Br)c1ccccc1 ZINC000061910180 184194826 /nfs/dbraw/zinc/19/48/26/184194826.db2.gz OKBGSADUULRQJC-LBPRGKRZSA-N 0 0 319.246 4.637 10 0 DJAERN COc1ccc2nc(-c3ccc(Cl)s3)nc(Cl)c2c1 ZINC000062772644 184253171 /nfs/dbraw/zinc/25/31/71/184253171.db2.gz JEIMOIAWYPAICU-UHFFFAOYSA-N 0 0 311.193 4.674 10 0 DJAERN CCCCc1ccc(NC(=O)CC(C)C)c(Br)c1 ZINC000064999939 184307989 /nfs/dbraw/zinc/30/79/89/184307989.db2.gz QKWLDGOSRLAPIY-UHFFFAOYSA-N 0 0 312.251 4.776 10 0 DJAERN CCOc1ccc(-c2cc(O)cc(OC(F)(F)F)c2)c(C)c1 ZINC000065344269 184326301 /nfs/dbraw/zinc/32/63/01/184326301.db2.gz AXPQTJJHVGACQS-UHFFFAOYSA-N 0 0 312.287 4.665 10 0 DJAERN Cc1nn(-c2ccccc2)c2c1[C@H](c1c[nH]c3ccccc31)S2 ZINC000016266266 262502885 /nfs/dbraw/zinc/50/28/85/262502885.db2.gz XBLKMPCSEANWQD-SFHVURJKSA-N 0 0 317.417 4.857 10 0 DJAERN CC(C)n1ccnc1CSCc1cc(F)cc2cccnc21 ZINC000175286092 332885148 /nfs/dbraw/zinc/88/51/48/332885148.db2.gz LFUFRXBQAJXFDP-UHFFFAOYSA-N 0 0 315.417 4.585 10 0 DJAERN C[C@H](Nc1cc(C(F)(F)F)ccn1)c1ccccc1Cl ZINC000090803193 332034620 /nfs/dbraw/zinc/03/46/20/332034620.db2.gz YRTBCNMXPMPVIG-VIFPVBQESA-N 0 0 300.711 4.927 10 0 DJAERN Cc1cnc(CN[C@H](C)c2c(Cl)ccc(F)c2Cl)s1 ZINC000177961045 332999784 /nfs/dbraw/zinc/99/97/84/332999784.db2.gz HCLWPMFPBRIKPX-MRVPVSSYSA-N 0 0 319.232 4.748 10 0 DJAERN Cc1nc(CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)oc1C ZINC000179542060 333025544 /nfs/dbraw/zinc/02/55/44/333025544.db2.gz KQANHFPRHRCPIH-QMMMGPOBSA-N 0 0 317.191 4.588 10 0 DJAERN Cc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2F)c(C)c1 ZINC000040432641 333353027 /nfs/dbraw/zinc/35/30/27/333353027.db2.gz MCYBAUJAKHEXIQ-GFCCVEGCSA-N 0 0 305.780 4.587 10 0 DJAERN C[C@@H](NCc1cc(F)c(F)cc1F)c1ccc(Cl)s1 ZINC000093115588 333703164 /nfs/dbraw/zinc/70/31/64/333703164.db2.gz ZLMOAYYREMNPQD-SSDOTTSWSA-N 0 0 305.752 4.670 10 0 DJAERN Cc1cccc(CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)n1 ZINC000051574077 335750874 /nfs/dbraw/zinc/75/08/74/335750874.db2.gz OJKSICBKWQIFHV-JTQLQIEISA-N 0 0 313.203 4.687 10 0 DJAERN C[C@H](c1cccs1)N(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000053955921 335848632 /nfs/dbraw/zinc/84/86/32/335848632.db2.gz GZDJXZIFQZEONE-CJNGLKHVSA-N 0 0 314.454 4.528 10 0 DJAERN C[C@@H](NC(=O)CC1CCCCC1)c1cccc(Br)c1 ZINC000042353064 336239648 /nfs/dbraw/zinc/23/96/48/336239648.db2.gz OYXIUHCKASZFAJ-GFCCVEGCSA-N 0 0 324.262 4.597 10 0 DJAERN Cc1noc(C)c1[C@@H](C)Nc1ccc2c(Cl)ccnc2c1F ZINC000301247512 336296559 /nfs/dbraw/zinc/29/65/59/336296559.db2.gz CATKYDFARYERGM-MRVPVSSYSA-N 0 0 319.767 4.805 10 0 DJAERN C[C@H](Nc1ccc2nccnc2n1)c1cc2cc(Cl)ccc2o1 ZINC000301281974 336298614 /nfs/dbraw/zinc/29/86/14/336298614.db2.gz OTPMKGFOIGJXEA-JTQLQIEISA-N 0 0 324.771 4.598 10 0 DJAERN CCc1nc(Cl)c(C)c(N[C@H](C)c2csc(C(C)C)n2)n1 ZINC000301554898 336314560 /nfs/dbraw/zinc/31/45/60/336314560.db2.gz HEOVGWXIIDOAGB-SNVBAGLBSA-N 0 0 324.881 4.754 10 0 DJAERN C[C@@H](Nc1nnc(C2CC2)s1)c1ccc(Cl)c(Cl)c1 ZINC000301740923 336326826 /nfs/dbraw/zinc/32/68/26/336326826.db2.gz UQTBFGFPEDTCIB-SSDOTTSWSA-N 0 0 314.241 4.895 10 0 DJAERN FC(F)(F)[C@H]1CCC[C@H](Nc2cc(Cl)nc(C3CC3)n2)C1 ZINC000301916372 336337996 /nfs/dbraw/zinc/33/79/96/336337996.db2.gz IZJIJHPQAXTFJO-UWVGGRQHSA-N 0 0 319.758 4.540 10 0 DJAERN CC(=O)c1ccc(Oc2nc3ccccc3s2)c(Cl)c1 ZINC000302232832 336355429 /nfs/dbraw/zinc/35/54/29/336355429.db2.gz YRBUTWGZPHCKLX-UHFFFAOYSA-N 0 0 303.770 4.945 10 0 DJAERN FC(F)(F)c1cnc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000302781000 336368790 /nfs/dbraw/zinc/36/87/90/336368790.db2.gz RVJUCTGEXXDKAE-NKWVEPMBSA-N 0 0 318.286 4.695 10 0 DJAERN CCc1cccc(CC)c1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116476875 336840572 /nfs/dbraw/zinc/84/05/72/336840572.db2.gz KDDLWVOFXJVXPZ-MRXNPFEDSA-N 0 0 312.413 4.773 10 0 DJAERN Cc1ccc(Cl)c(NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000120748132 336920452 /nfs/dbraw/zinc/92/04/52/336920452.db2.gz GIKSPRFLBXIAEY-AWEZNQCLSA-N 0 0 304.777 4.610 10 0 DJAERN COc1ccc([C@H](C)[NH2+]Cc2ccc(C)c(Cl)c2)cc1OC ZINC000193733996 337079250 /nfs/dbraw/zinc/07/92/50/337079250.db2.gz KGYCFTWVCGPYGT-ZDUSSCGKSA-N 0 0 319.832 4.516 10 0 DJAERN CC[C@H](N[C@H]1CCOc2ccccc21)c1cc(F)ccc1F ZINC000178273284 337161888 /nfs/dbraw/zinc/16/18/88/337161888.db2.gz OUQZNGLAUNJWOB-IRXDYDNUSA-N 0 0 303.352 4.529 10 0 DJAERN CC[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccccc1 ZINC000178607959 337165435 /nfs/dbraw/zinc/16/54/35/337165435.db2.gz KDBZTIDMHBQUTG-RTWAWAEBSA-N 0 0 302.421 4.912 10 0 DJAERN Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)s1 ZINC000178606739 337165456 /nfs/dbraw/zinc/16/54/56/337165456.db2.gz CSOWYRYWIRZKPI-KXBFYZLASA-N 0 0 308.450 4.892 10 0 DJAERN C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1 ZINC000178612782 337165475 /nfs/dbraw/zinc/16/54/75/337165475.db2.gz CPPWCCZWMMVFOZ-FOIQADDNSA-N 0 0 306.384 4.661 10 0 DJAERN CCc1ccc([C@@H](C)N[C@H](c2ccccc2)c2cccnc2)o1 ZINC000178615102 337165654 /nfs/dbraw/zinc/16/56/54/337165654.db2.gz GDLFCHZUPYTEBI-FOIQADDNSA-N 0 0 306.409 4.677 10 0 DJAERN O=C1CCCc2cc(N[C@@H]3CCSc4ccccc43)ccc2N1 ZINC000179814936 337172049 /nfs/dbraw/zinc/17/20/49/337172049.db2.gz CVTHDWMQGXOCMW-QGZVFWFLSA-N 0 0 324.449 4.610 10 0 DJAERN Cc1coc(-c2ccc(C)c(N[C@H](C)c3cnn(C(C)C)c3)c2)n1 ZINC000180036490 337173302 /nfs/dbraw/zinc/17/33/02/337173302.db2.gz PUOHQQDZORJBNP-OAHLLOKOSA-N 0 0 324.428 4.909 10 0 DJAERN CCCCC[C@H](CC)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000180352074 337173775 /nfs/dbraw/zinc/17/37/75/337173775.db2.gz CGTOKGRZVGIQHB-LSDHHAIUSA-N 0 0 308.491 4.803 10 0 DJAERN C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000180849223 337178097 /nfs/dbraw/zinc/17/80/97/337178097.db2.gz KVJXMKCSBTWVQC-WMZOPIPTSA-N 0 0 311.425 4.602 10 0 DJAERN CC[C@H](N[C@H](C)c1nnc(-c2ccccc2)o1)c1cccs1 ZINC000184034143 337194680 /nfs/dbraw/zinc/19/46/80/337194680.db2.gz BMMWSOMISNEPAD-OCCSQVGLSA-N 0 0 313.426 4.600 10 0 DJAERN CC[C@H](NCc1ncc(-c2ccccc2F)o1)c1cccs1 ZINC000184066664 337195916 /nfs/dbraw/zinc/19/59/16/337195916.db2.gz MIYDKVZFAALJHQ-AWEZNQCLSA-N 0 0 316.401 4.783 10 0 DJAERN CCC1(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)CCCCC1 ZINC000184119772 337196343 /nfs/dbraw/zinc/19/63/43/337196343.db2.gz RADCQROOWWRCMV-HNNXBMFYSA-N 0 0 320.502 4.518 10 0 DJAERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc(Cl)s1 ZINC000186525540 337257281 /nfs/dbraw/zinc/25/72/81/337257281.db2.gz MYLMTVWBPKAFNT-SECBINFHSA-N 0 0 321.833 4.552 10 0 DJAERN CCCCC[C@H](CC)C(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187031719 337261279 /nfs/dbraw/zinc/26/12/79/337261279.db2.gz LTTIPMBQLUCUEB-HOCLYGCPSA-N 0 0 308.491 4.722 10 0 DJAERN O=C(Nc1ccsc1Cl)N1CC=C(c2ccccc2)CC1 ZINC000189372273 337279081 /nfs/dbraw/zinc/27/90/81/337279081.db2.gz RHCSIOSCAOYWHM-UHFFFAOYSA-N 0 0 318.829 4.723 10 0 DJAERN Cc1c2oc(-c3ccc(F)cc3)nc2ccc1Br ZINC000584599620 337370760 /nfs/dbraw/zinc/37/07/60/337370760.db2.gz LHBINBBUVOPRIM-UHFFFAOYSA-N 0 0 306.134 4.705 10 0 DJAERN COC1=CCC2=C(CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]23)C1 ZINC000584601646 337370917 /nfs/dbraw/zinc/37/09/17/337370917.db2.gz HPBKVSYDXAUKGM-SLHNCBLASA-N 0 0 302.458 4.594 10 0 DJAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@]12C ZINC000584602621 337371018 /nfs/dbraw/zinc/37/10/18/337371018.db2.gz UWWHEAJCKVTESB-XGXHKTLJSA-N 0 0 302.458 4.881 10 0 DJAERN O=CN1c2ccccc2CSc2ccc(C(F)(F)F)cc21 ZINC000584602633 337371116 /nfs/dbraw/zinc/37/11/16/337371116.db2.gz QMDCIQYLCQBDAE-UHFFFAOYSA-N 0 0 309.312 4.606 10 0 DJAERN COc1ccc(C(=O)c2sccc2C)c(Cl)c1Cl ZINC000584605286 337371413 /nfs/dbraw/zinc/37/14/13/337371413.db2.gz JJXLDZJCEWVDEH-UHFFFAOYSA-N 0 0 301.194 4.603 10 0 DJAERN Clc1ccc([C@@H]2CCN[C@H](C(Cl)(Cl)Cl)C2)cc1 ZINC000584608813 337372021 /nfs/dbraw/zinc/37/20/21/337372021.db2.gz OMIFVEMPBRGDCH-KOLCDFICSA-N 0 0 313.055 4.546 10 0 DJAERN COc1cc(F)c2c(c1OC)C(c1ccc(Cl)cc1)=C(C)C2 ZINC000584618796 337373173 /nfs/dbraw/zinc/37/31/73/337373173.db2.gz UZWKLETWSFXMQG-UHFFFAOYSA-N 0 0 318.775 4.874 10 0 DJAERN CO[C@H](c1ccc(Cl)cc1)c1ccccc1Br ZINC000584593009 337373552 /nfs/dbraw/zinc/37/35/52/337373552.db2.gz ATMDOTSOZHQAKE-CQSZACIVSA-N 0 0 311.606 4.838 10 0 DJAERN CCC[C@H](Cc1nnc(-c2ccc(C=O)cc2)o1)c1ccccc1 ZINC000584592597 337373565 /nfs/dbraw/zinc/37/35/65/337373565.db2.gz RXSXSGIVFNWFGS-GOSISDBHSA-N 0 0 320.392 4.676 10 0 DJAERN CO[C@@H](c1ccc(Cl)cc1)c1ccccc1Br ZINC000584593008 337373603 /nfs/dbraw/zinc/37/36/03/337373603.db2.gz ATMDOTSOZHQAKE-AWEZNQCLSA-N 0 0 311.606 4.838 10 0 DJAERN COC(=O)[C@H](Cc1c(Cl)cccc1Cl)c1ccccc1C ZINC000584596318 337374145 /nfs/dbraw/zinc/37/41/45/337374145.db2.gz QEHVFZGZQTVOKP-CYBMUJFWSA-N 0 0 323.219 4.801 10 0 DJAERN CC(C)(O)[C@H](Cc1ccccc1)c1cccc(Br)c1 ZINC000584597063 337374368 /nfs/dbraw/zinc/37/43/68/337374368.db2.gz WJXCVOXFFXIPSA-MRXNPFEDSA-N 0 0 319.242 4.546 10 0 DJAERN Fc1c(F)c(F)c(-c2ccccc2Br)c(F)c1F ZINC000584624669 337375318 /nfs/dbraw/zinc/37/53/18/337375318.db2.gz FAGFGFAOZZJLLR-UHFFFAOYSA-N 0 0 323.058 4.812 10 0 DJAERN O[C@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000584629748 337376582 /nfs/dbraw/zinc/37/65/82/337376582.db2.gz QKAKZMXKFAUZAY-RBUKOAKNSA-N 0 0 309.796 4.601 10 0 DJAERN CNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c21 ZINC000584655205 337377835 /nfs/dbraw/zinc/37/78/35/337377835.db2.gz XFMVHZVWODZWJT-UHFFFAOYSA-N 0 0 301.349 4.599 10 0 DJAERN C[C@H](C(=O)OC(C)(C)C)c1ccc(Br)cc1Cl ZINC000584655240 337377895 /nfs/dbraw/zinc/37/78/95/337377895.db2.gz FVDXFMLUKNADHQ-QMMMGPOBSA-N 0 0 319.626 4.548 10 0 DJAERN OC1(Cc2ccc(Cl)cc2)c2ccccc2-c2ccccc21 ZINC000584640998 337379893 /nfs/dbraw/zinc/37/98/93/337379893.db2.gz CWICAPXHDPZMKD-UHFFFAOYSA-N 0 0 306.792 4.799 10 0 DJAERN O=NN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1 ZINC000584650577 337380727 /nfs/dbraw/zinc/38/07/27/337380727.db2.gz UFDVFEGZFZMYMG-UHFFFAOYSA-N 0 0 302.377 4.750 10 0 DJAERN O=C(CCCCCc1cccs1)N1CCC[C@H]1c1ccco1 ZINC000116044191 337392231 /nfs/dbraw/zinc/39/22/31/337392231.db2.gz OWGOUWZGQLCKCD-INIZCTEOSA-N 0 0 317.454 4.808 10 0 DJAERN O=C(Nc1ccc2ccccc2c1)N1CCC[C@H]1c1ccco1 ZINC000116474487 337392739 /nfs/dbraw/zinc/39/27/39/337392739.db2.gz SFJOLJDKDDHMDI-KRWDZBQOSA-N 0 0 306.365 4.802 10 0 DJAERN CC(C)CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000248270893 337563194 /nfs/dbraw/zinc/56/31/94/337563194.db2.gz PYLAPBKCGCNUAE-OAHLLOKOSA-N 0 0 316.470 4.786 10 0 DJAERN CCn1ccnc1CSCc1csc(-c2ccsc2)n1 ZINC000083633163 337995906 /nfs/dbraw/zinc/99/59/06/337995906.db2.gz JGFRYHBLIIJLFF-UHFFFAOYSA-N 0 0 321.496 4.521 10 0 DJAERN CCCC[C@@H](CC)CC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173074143 340357591 /nfs/dbraw/zinc/35/75/91/340357591.db2.gz LRMDWEZJAQJRQH-HZPDHXFCSA-N 0 0 322.518 4.764 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)N[C@H](C)c2cccs2)o1 ZINC000173421271 340364697 /nfs/dbraw/zinc/36/46/97/340364697.db2.gz HYFQVSFWACYSNJ-ZIAGYGMSSA-N 0 0 318.442 4.647 10 0 DJAERN Cc1ccc([C@@H](C)Nc2cncc(Br)c2)c(C)c1 ZINC000305093743 340375602 /nfs/dbraw/zinc/37/56/02/340375602.db2.gz YRALFBKTVUPLKI-GFCCVEGCSA-N 0 0 305.219 4.634 10 0 DJAERN Cc1ccc([C@@H](C)Nc2cncc(Br)c2)cc1C ZINC000310602539 340441544 /nfs/dbraw/zinc/44/15/44/340441544.db2.gz RZCRWQNFHGLCAC-GFCCVEGCSA-N 0 0 305.219 4.634 10 0 DJAERN COc1ccccc1N[C@@H]1CCc2sc(Br)cc21 ZINC000311110015 340444919 /nfs/dbraw/zinc/44/49/19/340444919.db2.gz UZIPCSPXWJXNSA-SNVBAGLBSA-N 0 0 324.243 4.619 10 0 DJAERN CCC1(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000183985890 340490397 /nfs/dbraw/zinc/49/03/97/340490397.db2.gz ZJZLHCQWFMRFGH-CHWSQXEVSA-N 0 0 305.384 4.584 10 0 DJAERN CCCC[C@H](CCC)NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186998061 340517340 /nfs/dbraw/zinc/51/73/40/340517340.db2.gz YUBZTEGTGJCZAW-HOCLYGCPSA-N 0 0 323.506 4.657 10 0 DJAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2-c2ccccc2)O1 ZINC000189075223 340526400 /nfs/dbraw/zinc/52/64/00/340526400.db2.gz HIKQSBNWLSXPDP-PXAZEXFGSA-N 0 0 315.800 4.513 10 0 DJAERN C[C@@H](N[C@@H](C)c1nc2ccccc2n1C)c1ccc(Cl)s1 ZINC000036992155 340729496 /nfs/dbraw/zinc/72/94/96/340729496.db2.gz LHQYLLNJVPKQNI-MNOVXSKESA-N 0 0 319.861 4.700 10 0 DJAERN COc1ccccc1[C@H](C)N[C@H](C)c1ccc(F)cc1Cl ZINC000037217599 340774860 /nfs/dbraw/zinc/77/48/60/340774860.db2.gz RRJVRPHJFAHBBJ-NEPJUHHUSA-N 0 0 307.796 4.900 10 0 DJAERN C[C@H](C1CC1)N(C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)C1CC1 ZINC000073866483 341122372 /nfs/dbraw/zinc/12/23/72/341122372.db2.gz TVCVRCZIILQEFN-WDEREUQCSA-N 0 0 324.827 4.513 10 0 DJAERN C[C@@H](Nc1cncc(Br)c1)c1ccc(Cl)cc1 ZINC000134776467 341223940 /nfs/dbraw/zinc/22/39/40/341223940.db2.gz SAZXUJHNACUNHC-SECBINFHSA-N 0 0 311.610 4.671 10 0 DJAERN Cc1ccccc1-c1noc([C@H](C)N2CCC[C@H]2c2ccco2)n1 ZINC000245496824 341297432 /nfs/dbraw/zinc/29/74/32/341297432.db2.gz SEYDYJRCBUOGAJ-HOCLYGCPSA-N 0 0 323.396 4.536 10 0 DJAERN CC[C@H](C)[C@H](C)C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000248534966 341379300 /nfs/dbraw/zinc/37/93/00/341379300.db2.gz GIGPUNBTPYCPPK-SOUVJXGZSA-N 0 0 322.518 4.655 10 0 DJAERN CC[C@H](SCc1nnc(C2CC2)n1C)c1ccc(Cl)cc1 ZINC000091029505 341421427 /nfs/dbraw/zinc/42/14/27/341421427.db2.gz BOYCWFPAKISNTR-AWEZNQCLSA-N 0 0 321.877 4.730 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2cc(C)ccc2F)o1 ZINC000153567213 341575098 /nfs/dbraw/zinc/57/50/98/341575098.db2.gz BOXRLNLENREHGT-MRXNPFEDSA-N 0 0 316.376 4.795 10 0 DJAERN CCSc1cccc(NC(=O)N[C@H](C)c2ccc(C)o2)c1 ZINC000172216101 341794902 /nfs/dbraw/zinc/79/49/02/341794902.db2.gz BJYCZHJKGVFAGB-GFCCVEGCSA-N 0 0 304.415 4.583 10 0 DJAERN CC(C)c1nnc(CN[C@H](C)c2ccc(-c3ccccc3)cc2)o1 ZINC000181426182 519887657 /nfs/dbraw/zinc/88/76/57/519887657.db2.gz MQCFXDVFSPQVSR-OAHLLOKOSA-N 0 0 321.424 4.711 10 0 DJAERN CC(C)n1ccnc1CNc1ccccc1SC(F)(F)F ZINC000124358052 520032862 /nfs/dbraw/zinc/03/28/62/520032862.db2.gz OEGIKKJARPIKRE-UHFFFAOYSA-N 0 0 315.364 4.688 10 0 DJAERN CCCc1nc2ccccc2n1Cc1nc2cc(Cl)ccc2[nH]1 ZINC000073636100 521544622 /nfs/dbraw/zinc/54/46/22/521544622.db2.gz MGNHRFVCNBJMRV-UHFFFAOYSA-N 0 0 324.815 4.567 10 0 DJAERN Cc1ccccc1[S@@](=O)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000157088783 525451043 /nfs/dbraw/zinc/45/10/43/525451043.db2.gz IQOMPEIFKXUDNR-JLCFBVMHSA-N 0 0 311.406 4.519 10 0 DJAERN Cc1ccc([C@@H](C)NC(=O)CC2CCC(C(F)(F)F)CC2)o1 ZINC000182952907 525692943 /nfs/dbraw/zinc/69/29/43/525692943.db2.gz IRRFUTPTDHVZDB-PNESKVBLSA-N 0 0 317.351 4.524 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc3[nH]ccc32)o1 ZINC000159050598 525801141 /nfs/dbraw/zinc/80/11/41/525801141.db2.gz KJZWCQYLMXHIOM-KRWDZBQOSA-N 0 0 323.396 4.828 10 0 DJAERN Cc1nc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CC2)oc1C ZINC000180074590 526894272 /nfs/dbraw/zinc/89/42/72/526894272.db2.gz LPDDLPAVEXRDSP-INIZCTEOSA-N 0 0 324.346 4.551 10 0 DJAERN CCCCCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960660 563961451 /nfs/dbraw/zinc/96/14/51/563961451.db2.gz XDLFKDXBIXVOMZ-UHFFFAOYSA-N 0 0 319.445 4.573 10 0 DJAERN Cc1cn(C(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000000141224 563223274 /nfs/dbraw/zinc/22/32/74/563223274.db2.gz HURUNSCCKJBUKO-UHFFFAOYSA-N 0 0 311.772 4.592 10 0 DJAERN Cc1ccc(C)c(NCn2nc(-c3ccccc3)oc2=S)c1 ZINC000000389417 563249378 /nfs/dbraw/zinc/24/93/78/563249378.db2.gz RUQOJWLMHGVCNH-UHFFFAOYSA-N 0 0 311.410 4.559 10 0 DJAERN CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=S)Nc1cccc(F)c1 ZINC000001048296 563275690 /nfs/dbraw/zinc/27/56/90/563275690.db2.gz IETJHKSEQGKSOZ-VBNZEHGJSA-N 0 0 308.466 4.573 10 0 DJAERN Cc1cc(C)c(C(=O)c2ccc(Br)cc2)c(C)c1 ZINC000003172902 563323157 /nfs/dbraw/zinc/32/31/57/563323157.db2.gz XLSFJNXZQOBINZ-UHFFFAOYSA-N 0 0 303.199 4.605 10 0 DJAERN C[C@@H](NC(=O)c1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000005723057 563330485 /nfs/dbraw/zinc/33/04/85/563330485.db2.gz JVSLNNCSGVDHJP-XUXNNNHQSA-N 0 0 317.860 4.675 10 0 DJAERN O=C1Nc2ccc(Cl)cc2[C@](/C=C/C2CC2)(C(F)(F)F)O1 ZINC000077291738 563816634 /nfs/dbraw/zinc/81/66/34/563816634.db2.gz TWWHVRKXRMMRPN-URWSZGRFSA-N 0 0 317.694 4.626 10 0 in-vitro DJAERN CC(C)c1ccc([C@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1 ZINC000002500099 563938174 /nfs/dbraw/zinc/93/81/74/563938174.db2.gz NICGMPSRNPZCJX-CVEARBPZSA-N 0 0 324.453 4.609 10 0 DJAERN Cc1cccc(-c2ccc(C(=O)NCCC3=CCCCC3)cn2)c1 ZINC000035514732 568418475 /nfs/dbraw/zinc/41/84/75/568418475.db2.gz VIRGJZBTODMXCD-UHFFFAOYSA-N 0 0 320.436 4.677 10 0 DJAERN Cc1cc(-c2cccc(Br)c2C)c(C)cc1C=O ZINC000675073399 568420293 /nfs/dbraw/zinc/42/02/93/568420293.db2.gz WDDSUWKJVVZEDA-UHFFFAOYSA-N 0 0 303.199 4.854 10 0 DJAERN CC(C)(C)CC(C)(C)Nc1cc(C(F)(F)F)nc(Cl)n1 ZINC000082501725 185187309 /nfs/dbraw/zinc/18/73/09/185187309.db2.gz IMVGNIDKLACPRU-UHFFFAOYSA-N 0 0 309.763 4.776 10 0 DJAERN O[C@H](c1cccs1)c1ccc(Br)c2ccccc21 ZINC000083165702 185215629 /nfs/dbraw/zinc/21/56/29/185215629.db2.gz ILUOFCDCSJGUDH-HNNXBMFYSA-N 0 0 319.223 4.746 10 0 DJAERN Brc1ccc2c3c(ccc(Br)c31)C=C2 ZINC000087493218 185226799 /nfs/dbraw/zinc/22/67/99/185226799.db2.gz BPPBSKDZDJKJLJ-UHFFFAOYSA-N 0 0 309.988 4.849 10 0 DJAERN Clc1nc(-c2ccccn2)nc(Cl)c1-c1ccccc1 ZINC000088100027 185239518 /nfs/dbraw/zinc/23/95/18/185239518.db2.gz ARQMRNKGOQCCDL-UHFFFAOYSA-N 0 0 302.164 4.512 10 0 DJAERN Fc1cc(CNc2cncc(-c3ccncc3)c2)ccc1Cl ZINC000090488005 185298822 /nfs/dbraw/zinc/29/88/22/185298822.db2.gz MXXGBNBXQBXCOY-UHFFFAOYSA-N 0 0 313.763 4.548 10 0 DJAERN COc1ncc(-c2ccc3ccccc3c2)c2c(O)cccc12 ZINC000090555771 185303145 /nfs/dbraw/zinc/30/31/45/185303145.db2.gz VNTQWLNDTWLBMB-UHFFFAOYSA-N 0 0 301.345 4.769 10 0 DJAERN CC1(C)CC(=O)N(c2cnc3ccccc3c2)c2cc(F)ccc21 ZINC000090558477 185303191 /nfs/dbraw/zinc/30/31/91/185303191.db2.gz BTPPJZSCNVRTAT-UHFFFAOYSA-N 0 0 320.367 4.720 10 0 DJAERN COc1cccc(Cc2c[nH]c3ncc(-c4cccs4)cc23)c1 ZINC000090554808 185303201 /nfs/dbraw/zinc/30/32/01/185303201.db2.gz WXULVHSHBXMMRH-UHFFFAOYSA-N 0 0 320.417 4.891 10 0 DJAERN Cc1ccc(C)c(OC(=O)c2ccc(C)c(Br)c2)c1 ZINC000000505145 190615101 /nfs/dbraw/zinc/61/51/01/190615101.db2.gz BMEDKENTYGKZHH-UHFFFAOYSA-N 0 0 319.198 4.594 10 0 DJAERN Cc1cc(C)cc(NC(=O)c2ccccc2OCCC(C)C)c1 ZINC000008072417 190630471 /nfs/dbraw/zinc/63/04/71/190630471.db2.gz TVIXPIRNCSIOKP-UHFFFAOYSA-N 0 0 311.425 4.981 10 0 DJAERN COc1ccc(Cl)cc1CSc1ccc(C(C)=O)cc1 ZINC000058018662 190690847 /nfs/dbraw/zinc/69/08/47/190690847.db2.gz BBKKFRIFRAIYES-UHFFFAOYSA-N 0 0 306.814 4.844 10 0 DJAERN O[C@H](Cc1ccc(Cl)c(Cl)c1)c1c(F)cccc1F ZINC000070579723 190907496 /nfs/dbraw/zinc/90/74/96/190907496.db2.gz BWGXAJNOQCJLMX-CYBMUJFWSA-N 0 0 303.135 4.548 10 0 DJAERN O[C@@H](Cc1ccc(Cl)c(Cl)c1)c1c(F)cccc1F ZINC000070579724 190907583 /nfs/dbraw/zinc/90/75/83/190907583.db2.gz BWGXAJNOQCJLMX-ZDUSSCGKSA-N 0 0 303.135 4.548 10 0 DJAERN Cc1cc(C(=O)N2CCCCCC2)c2c(c1)C(C)=CC(C)(C)N2 ZINC000072441529 191167440 /nfs/dbraw/zinc/16/74/40/191167440.db2.gz XRGIBZOWJPSLBH-UHFFFAOYSA-N 0 0 312.457 4.619 10 0 DJAERN COc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000499096 180808300 /nfs/dbraw/zinc/80/83/00/180808300.db2.gz KYTGQYUGGCROIS-UHFFFAOYSA-N 0 0 304.345 4.581 10 0 DJAERN CCCOc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1 ZINC000001965263 180904157 /nfs/dbraw/zinc/90/41/57/180904157.db2.gz GQCXBWORSSTNAX-DHZHZOJOSA-N 0 0 315.800 4.781 10 0 DJAERN CCOc1ccccc1/C=C/C(=O)Nc1cc(Cl)ccc1C ZINC000001986497 180904637 /nfs/dbraw/zinc/90/46/37/180904637.db2.gz LBSFOBJCULBIOV-PKNBQFBNSA-N 0 0 315.800 4.699 10 0 DJAERN Cc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3s2)cc1 ZINC000003503905 181026914 /nfs/dbraw/zinc/02/69/14/181026914.db2.gz XTAQTUKTISVJNM-LBPRGKRZSA-N 0 0 313.447 4.968 10 0 DJAERN CC(C)c1ccc2nc(NC(=O)c3cccs3)sc2c1 ZINC000004348360 181101086 /nfs/dbraw/zinc/10/10/86/181101086.db2.gz PQLPXYIECYYDFX-UHFFFAOYSA-N 0 0 302.424 4.734 10 0 DJAERN O[C@H](c1ccc2ccccc2c1)[C@@H](O)c1cccc2ccccc21 ZINC000004978283 181182913 /nfs/dbraw/zinc/18/29/13/181182913.db2.gz RSFIBRKJSPSKFZ-YADHBBJMSA-N 0 0 314.384 4.760 10 0 DJAERN Cc1ccc([C@H](O)[C@H](C)Sc2nc3ccccc3s2)cc1 ZINC000005416284 181240575 /nfs/dbraw/zinc/24/05/75/181240575.db2.gz VKSSYFBLGTZMOO-BLLLJJGKSA-N 0 0 315.463 4.819 10 0 DJAERN Cc1ccc([C@@H](O)[C@@H](C)Sc2nc3ccccc3s2)cc1 ZINC000005416573 181240755 /nfs/dbraw/zinc/24/07/55/181240755.db2.gz VKSSYFBLGTZMOO-WBMJQRKESA-N 0 0 315.463 4.819 10 0 DJAERN CNc1ccc([C@@H](c2ccccc2)[C@H](O)c2ccc(C)cc2)cc1 ZINC000005330896 181230199 /nfs/dbraw/zinc/23/01/99/181230199.db2.gz CLKPGMFWAJECHU-FGZHOGPDSA-N 0 0 317.432 4.902 10 0 DJAERN CNc1ccc([C@H](c2ccccc2)[C@@H](O)c2ccc(C)cc2)cc1 ZINC000005330853 181230443 /nfs/dbraw/zinc/23/04/43/181230443.db2.gz CLKPGMFWAJECHU-VXKWHMMOSA-N 0 0 317.432 4.902 10 0 DJAERN Cc1ccc([C@H](O)[C@@H](C)Sc2nc3ccccc3s2)cc1 ZINC000005416212 181240947 /nfs/dbraw/zinc/24/09/47/181240947.db2.gz VKSSYFBLGTZMOO-MLGOLLRUSA-N 0 0 315.463 4.819 10 0 DJAERN COc1cc(/C=C/c2cccc3ccccc23)ccc1OC(C)=O ZINC000005481183 181248548 /nfs/dbraw/zinc/24/85/48/181248548.db2.gz PDTODEGGVNRUDP-ZRDIBKRKSA-N 0 0 318.372 4.944 10 0 DJAERN c1ccc2c(c1)nnn2C1c2ccccc2Sc2ccccc21 ZINC000005517379 181252461 /nfs/dbraw/zinc/25/24/61/181252461.db2.gz JMAYELWVIOFDAJ-UHFFFAOYSA-N 0 0 315.401 4.534 10 0 DJAERN Cc1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000005558633 181256737 /nfs/dbraw/zinc/25/67/37/181256737.db2.gz VECQBDROIYQMAD-VQHVLOKHSA-N 0 0 319.326 4.974 10 0 DJAERN NC(=S)c1ccc(COc2ccccc2-c2ccccc2)cc1 ZINC000005592580 181261833 /nfs/dbraw/zinc/26/18/33/181261833.db2.gz AOHZLCTWYCGTIC-UHFFFAOYSA-N 0 0 319.429 4.567 10 0 DJAERN Cc1ccc(C)c(OCC(=O)Nc2cccc(Cl)c2C)c1C ZINC000005750645 181280423 /nfs/dbraw/zinc/28/04/23/181280423.db2.gz JQADYWICYUDOMB-UHFFFAOYSA-N 0 0 317.816 4.591 10 0 DJAERN CC(C)CN(CC(C)C)C(=O)c1c(Cl)cccc1Cl ZINC000005907688 181295357 /nfs/dbraw/zinc/29/53/57/181295357.db2.gz CBRIWEGHPXDMMD-UHFFFAOYSA-N 0 0 302.245 4.748 10 0 DJAERN c1ccc(-c2nc(N3CCCCC3)oc2-c2ccccc2)cc1 ZINC000005934520 181297719 /nfs/dbraw/zinc/29/77/19/181297719.db2.gz NAVVOYFFGOHKJL-UHFFFAOYSA-N 0 0 304.393 4.999 10 0 DJAERN Cc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000006152001 181316826 /nfs/dbraw/zinc/31/68/26/181316826.db2.gz GGBJBUUCEJXBOX-UHFFFAOYSA-N 0 0 317.388 4.826 10 0 DJAERN CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000006308274 181328336 /nfs/dbraw/zinc/32/83/36/181328336.db2.gz VRQSDYYRJJLOFU-CFRMROPGSA-N 0 0 323.392 4.581 10 0 DJAERN Fc1ccc2c(c1)Oc1cc(F)c(Br)cc1N=C2 ZINC000091690760 193091775 /nfs/dbraw/zinc/09/17/75/193091775.db2.gz RMBBDDQLDAUFNR-UHFFFAOYSA-N 0 0 310.097 4.584 10 0 DJAERN COC(=O)c1c(C2CC2)nc2ccccc2c1-c1ccccc1 ZINC000095830683 193448527 /nfs/dbraw/zinc/44/85/27/193448527.db2.gz FVGIMCZZDJUYFY-UHFFFAOYSA-N 0 0 303.361 4.566 10 0 DJAERN COC(=O)[C@@H]1CCC[C@@]2(C)[C@@H]1CCC1=CC(C(C)C)=CC[C@H]12 ZINC000095921549 193449507 /nfs/dbraw/zinc/44/95/07/193449507.db2.gz ZJDAQSFGUSWPDN-SOAMZJECSA-N 0 0 302.458 4.905 10 0 DJAERN Cc1cc(C)cc(NC(=O)c2cccc(OCCC(C)C)c2)c1 ZINC000008567751 181565335 /nfs/dbraw/zinc/56/53/35/181565335.db2.gz JHRQXUBCQUSTIU-UHFFFAOYSA-N 0 0 311.425 4.981 10 0 DJAERN CC(C)(O)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 ZINC000013302938 181842263 /nfs/dbraw/zinc/84/22/63/181842263.db2.gz QGCYTPYLLIAKGA-FXAWDEMLSA-N 0 0 302.458 4.650 10 0 biogenic DJAERN O=C(NCC1(c2cccs2)CCCC1)c1ccccc1Cl ZINC000013803167 181899482 /nfs/dbraw/zinc/89/94/82/181899482.db2.gz GRXPFXCXYQUGSO-UHFFFAOYSA-N 0 0 319.857 4.643 10 0 DJAERN CC[C@H](C)c1ccccc1NC(=O)c1cc2ccccc2oc1=O ZINC000015964925 182026627 /nfs/dbraw/zinc/02/66/27/182026627.db2.gz SXOSIHVWHAWULA-ZDUSSCGKSA-N 0 0 321.376 4.559 10 0 DJAERN CCOc1ccccc1/C=C/C(=O)Nc1c(CC)cccc1CC ZINC000015960844 182026727 /nfs/dbraw/zinc/02/67/27/182026727.db2.gz AOAONFGWOZEXCW-CCEZHUSRSA-N 0 0 323.436 4.862 10 0 DJAERN C[C@H](NC(=O)Nc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000018174655 182096472 /nfs/dbraw/zinc/09/64/72/182096472.db2.gz JIFZJTWOIUYBCX-VIFPVBQESA-N 0 0 310.731 4.501 10 0 DJAERN C[C@@H](Nc1cc(F)ccc1F)c1ccccc1Br ZINC000019907835 182162885 /nfs/dbraw/zinc/16/28/85/182162885.db2.gz JTOHJTVTBGTGMU-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN Cc1cc(Br)ccc1N[C@@H]1CCOc2ccccc21 ZINC000019905658 182162920 /nfs/dbraw/zinc/16/29/20/182162920.db2.gz GAXVBHZBTLSWTF-OAHLLOKOSA-N 0 0 318.214 4.693 10 0 DJAERN Cc1cc(N[C@H](C)c2cccc(O)c2)ccc1Br ZINC000019908138 182163015 /nfs/dbraw/zinc/16/30/15/182163015.db2.gz MCPYLKRIHQQRTJ-LLVKDONJSA-N 0 0 306.203 4.636 10 0 DJAERN Fc1cc(Br)ccc1N[C@H]1CCOc2ccccc21 ZINC000019908063 182163101 /nfs/dbraw/zinc/16/31/01/182163101.db2.gz LXKPNUYMGGKXDH-ZDUSSCGKSA-N 0 0 322.177 4.524 10 0 DJAERN Cc1cc(N[C@H]2CCOc3ccccc32)ccc1Br ZINC000019908164 182163143 /nfs/dbraw/zinc/16/31/43/182163143.db2.gz ZKEXDRKYTNKJBO-HNNXBMFYSA-N 0 0 318.214 4.693 10 0 DJAERN Cc1ccsc1CNc1ccc(Br)cc1F ZINC000019907968 182163259 /nfs/dbraw/zinc/16/32/59/182163259.db2.gz XLVNBKXQUTYNBL-UHFFFAOYSA-N 0 0 300.196 4.570 10 0 DJAERN Fc1cc(Br)ccc1N[C@@H]1CCOc2ccccc21 ZINC000019908062 182163272 /nfs/dbraw/zinc/16/32/72/182163272.db2.gz LXKPNUYMGGKXDH-CYBMUJFWSA-N 0 0 322.177 4.524 10 0 DJAERN COc1cccc([C@@H](C)Nc2ccccc2Br)c1 ZINC000019922696 182164441 /nfs/dbraw/zinc/16/44/41/182164441.db2.gz IQBCXCDJDMCNJA-LLVKDONJSA-N 0 0 306.203 4.631 10 0 DJAERN COc1ccc([C@H](C)Nc2ccccc2Br)cc1F ZINC000019922938 182164606 /nfs/dbraw/zinc/16/46/06/182164606.db2.gz CEHNSEHGEOYLQH-JTQLQIEISA-N 0 0 324.193 4.770 10 0 DJAERN C[C@H](Nc1cccnc1)c1cc2cc(Br)ccc2o1 ZINC000019884438 182160916 /nfs/dbraw/zinc/16/09/16/182160916.db2.gz KRZBQXMFXGRQJO-JTQLQIEISA-N 0 0 317.186 4.763 10 0 DJAERN C[C@@H](Nc1cc(F)cc(F)c1)c1ccccc1Br ZINC000019961878 182170783 /nfs/dbraw/zinc/17/07/83/182170783.db2.gz ACGQWBCCVYYEQK-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN COc1ccc(OC)c(N[C@@H](C)c2ccc(SC)cc2)c1 ZINC000019979139 182173115 /nfs/dbraw/zinc/17/31/15/182173115.db2.gz SKLQUOPSZJWJFP-LBPRGKRZSA-N 0 0 303.427 4.599 10 0 DJAERN COc1ccc([C@H](C)Nc2cc(Cl)ccc2C)cc1OC ZINC000019984759 182173911 /nfs/dbraw/zinc/17/39/11/182173911.db2.gz UVZWANCXBLQFSE-LBPRGKRZSA-N 0 0 305.805 4.839 10 0 DJAERN CC[C@@H](Nc1cccc(Br)c1)c1ccc(O)cc1 ZINC000019941793 182167953 /nfs/dbraw/zinc/16/79/53/182167953.db2.gz FAFKQSZAEOQDPF-OAHLLOKOSA-N 0 0 306.203 4.718 10 0 DJAERN C[C@@H](Nc1cccc(Br)c1)c1c(F)cccc1F ZINC000019941739 182168059 /nfs/dbraw/zinc/16/80/59/182168059.db2.gz NLGQPONKXXNANV-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN COc1ccc(C)cc1[C@@H](C)Nc1cccc(Br)c1 ZINC000019941864 182168172 /nfs/dbraw/zinc/16/81/72/182168172.db2.gz FDAOZXFTWSNSIR-GFCCVEGCSA-N 0 0 320.230 4.939 10 0 DJAERN COc1ccc([C@H](C)Nc2cccc(Br)c2)cc1F ZINC000019941941 182168197 /nfs/dbraw/zinc/16/81/97/182168197.db2.gz NHKQAYPYYNSREB-JTQLQIEISA-N 0 0 324.193 4.770 10 0 DJAERN CCOc1ccccc1CNc1ccc(C)cc1Br ZINC000020020747 182179507 /nfs/dbraw/zinc/17/95/07/182179507.db2.gz YLZBDCASVJAHSP-UHFFFAOYSA-N 0 0 320.230 4.768 10 0 DJAERN CCOc1ccc(NCc2cc(F)ccc2Br)cc1 ZINC000020040262 182183125 /nfs/dbraw/zinc/18/31/25/182183125.db2.gz OCTIGVLRNXGQQJ-UHFFFAOYSA-N 0 0 324.193 4.599 10 0 DJAERN Nc1nc(-c2ccccc2OCc2ccc(Cl)cc2)cs1 ZINC000020331958 182208537 /nfs/dbraw/zinc/20/85/37/182208537.db2.gz OFBBRGGPOPZINT-UHFFFAOYSA-N 0 0 316.813 4.625 10 0 DJAERN C[C@H]1C[C@H]1c1ccc(CNc2ccc(F)cc2Br)o1 ZINC000020430571 182216441 /nfs/dbraw/zinc/21/64/41/182216441.db2.gz QBOVSKGXLFBVTN-JOYOIKCWSA-N 0 0 324.193 4.917 10 0 DJAERN Fc1ccc(NCc2cccc(Cl)c2)c(Br)c1 ZINC000020430388 182216568 /nfs/dbraw/zinc/21/65/68/182216568.db2.gz IBTFDKBQFIIYOX-UHFFFAOYSA-N 0 0 314.585 4.854 10 0 DJAERN CC[C@H](Nc1ccc(F)cc1Br)c1ccc(O)cc1 ZINC000020430481 182216588 /nfs/dbraw/zinc/21/65/88/182216588.db2.gz USYIWBYHHDOFKL-AWEZNQCLSA-N 0 0 324.193 4.857 10 0 DJAERN COc1ccc(OC)c(CNc2cccc(Cl)c2Cl)c1 ZINC000020557613 182231586 /nfs/dbraw/zinc/23/15/86/182231586.db2.gz OZTJVHSRZNBTSV-UHFFFAOYSA-N 0 0 312.196 4.623 10 0 DJAERN Nc1cc(Cl)ccc1Nc1ccccc1SC(F)F ZINC000020585129 182234547 /nfs/dbraw/zinc/23/45/47/182234547.db2.gz DVIZLFIOAZYEDP-UHFFFAOYSA-N 0 0 300.761 4.981 10 0 DJAERN CCc1ccc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)cc1 ZINC000020575427 182235196 /nfs/dbraw/zinc/23/51/96/182235196.db2.gz OKHIURBTSAZAAF-UHFFFAOYSA-N 0 0 315.376 4.531 10 0 DJAERN Nc1ccc(OCc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000020595544 182235814 /nfs/dbraw/zinc/23/58/14/182235814.db2.gz MVXKGJPFFFKNBS-UHFFFAOYSA-N 0 0 302.588 4.808 10 0 DJAERN Nc1ccccc1COc1cc(Cl)c(Cl)cc1Cl ZINC000021013130 182259740 /nfs/dbraw/zinc/25/97/40/182259740.db2.gz NEPVJDVGFXXNEX-UHFFFAOYSA-N 0 0 302.588 4.808 10 0 DJAERN CCC[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1C ZINC000021145296 182266907 /nfs/dbraw/zinc/26/69/07/182266907.db2.gz RPHZIJYKSZGYER-CYBMUJFWSA-N 0 0 321.424 4.913 10 0 DJAERN Cc1ccccc1CNc1c(C)cc(Br)cc1C ZINC000021516463 182277102 /nfs/dbraw/zinc/27/71/02/182277102.db2.gz YIRJFDOLIDQOHM-UHFFFAOYSA-N 0 0 304.231 4.986 10 0 DJAERN Brc1ccccc1N[C@H]1CCCc2ccccc21 ZINC000021817038 182292928 /nfs/dbraw/zinc/29/29/28/182292928.db2.gz RZTYEERPTWRDIV-HNNXBMFYSA-N 0 0 302.215 4.939 10 0 DJAERN C[C@H](NC(=O)/C=C\c1c(Cl)cccc1Cl)c1ccccc1 ZINC000033456538 182713470 /nfs/dbraw/zinc/71/34/70/182713470.db2.gz OVFBIRHLPFLLPC-WEHUKYGOSA-N 0 0 320.219 4.884 10 0 DJAERN CC[C@H](C)c1ccc(NC(=O)/C=C\c2ccc3c(c2)OCO3)cc1 ZINC000033413752 182710064 /nfs/dbraw/zinc/71/00/64/182710064.db2.gz YREJBDXEHHJLPB-RCGFYWBFSA-N 0 0 323.392 4.581 10 0 DJAERN Cc1ccc(C)c(S[C@H](C)C(=O)c2ccc(F)cc2F)c1 ZINC000035046988 182748755 /nfs/dbraw/zinc/74/87/55/182748755.db2.gz HTWRFSVTYDMPHE-GFCCVEGCSA-N 0 0 306.377 4.945 10 0 DJAERN C[C@H](O)c1cc(F)ccc1Oc1cc(Cl)cc(Cl)c1 ZINC000036814478 182844668 /nfs/dbraw/zinc/84/46/68/182844668.db2.gz IHYCGUQBXZHKIL-QMMMGPOBSA-N 0 0 301.144 4.978 10 0 DJAERN Fc1cccc(NC2CC(c3ccc(Br)cc3)C2)c1 ZINC000036842227 182848316 /nfs/dbraw/zinc/84/83/16/182848316.db2.gz GPLNHQXNPBBDNO-UHFFFAOYSA-N 0 0 320.205 4.946 10 0 DJAERN CC(C)c1nn(-c2ccc(Cl)cc2Cl)c(Cl)c1C=O ZINC000037326853 182882417 /nfs/dbraw/zinc/88/24/17/182882417.db2.gz FIACUGUCRZFTFP-UHFFFAOYSA-N 0 0 317.603 4.768 10 0 DJAERN Nc1n[nH]c(-c2cccs2)c1-c1c(Cl)cccc1Cl ZINC000037348212 182883446 /nfs/dbraw/zinc/88/34/46/182883446.db2.gz BBPUKCWXADOSCJ-UHFFFAOYSA-N 0 0 310.209 4.694 10 0 DJAERN Cc1cccc(N[C@@H]2CCOc3ccc(Br)cc32)c1 ZINC000037185430 182871018 /nfs/dbraw/zinc/87/10/18/182871018.db2.gz KGXJXFMGGNYMRF-OAHLLOKOSA-N 0 0 318.214 4.693 10 0 DJAERN Nc1cnccc1SCc1sc2ccccc2c1Cl ZINC000037189798 182871666 /nfs/dbraw/zinc/87/16/66/182871666.db2.gz YMWYKZYLRYOCCQ-UHFFFAOYSA-N 0 0 306.843 4.824 10 0 DJAERN COc1ccc([C@H](C)Nc2cccc(Br)c2)c(F)c1 ZINC000037203794 182872403 /nfs/dbraw/zinc/87/24/03/182872403.db2.gz FYTKMUNCKMWKLP-JTQLQIEISA-N 0 0 324.193 4.770 10 0 DJAERN Nc1cc(COc2c(Cl)cccc2Cl)ccc1Cl ZINC000037543407 182906072 /nfs/dbraw/zinc/90/60/72/182906072.db2.gz HXZYJOBWYVDNSK-UHFFFAOYSA-N 0 0 302.588 4.808 10 0 DJAERN CCOc1ccc(NC(=O)c2oc3ccc(CC)cc3c2C)cc1 ZINC000040037306 183029428 /nfs/dbraw/zinc/02/94/28/183029428.db2.gz WLDJCSYKWLBFTA-UHFFFAOYSA-N 0 0 323.392 4.955 10 0 DJAERN Oc1ccc(Br)cc1C1C2CC3CC(C2)CC1C3 ZINC000039953659 183023819 /nfs/dbraw/zinc/02/38/19/183023819.db2.gz ULPYMIOMKKBIPY-UHFFFAOYSA-N 0 0 307.231 4.694 10 0 DJAERN COc1ccc(OC)c(Nc2ccnc3c(Cl)cccc23)c1 ZINC000039963779 183025567 /nfs/dbraw/zinc/02/55/67/183025567.db2.gz NJDKBEFZRPBRFY-UHFFFAOYSA-N 0 0 314.772 4.649 10 0 DJAERN COc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)c1 ZINC000040178690 183043879 /nfs/dbraw/zinc/04/38/79/183043879.db2.gz MENPIXQUXZPNOQ-UHFFFAOYSA-N 0 0 321.376 4.824 10 0 DJAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1cccc(F)c1 ZINC000040178707 183044305 /nfs/dbraw/zinc/04/43/05/183044305.db2.gz SGLTYZQPFQILCE-UHFFFAOYSA-N 0 0 309.340 4.955 10 0 DJAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1cccc(C)c1 ZINC000040178799 183044374 /nfs/dbraw/zinc/04/43/74/183044374.db2.gz MXDMQUIGMJNSTI-UHFFFAOYSA-N 0 0 309.340 4.955 10 0 DJAERN Cc1ccc(OCCCn2cnc3cc(C)c(C)cc32)c(C)c1 ZINC000040224068 183046920 /nfs/dbraw/zinc/04/69/20/183046920.db2.gz LCJJRPQASLBZQD-UHFFFAOYSA-N 0 0 308.425 4.739 10 0 DJAERN Cc1nc2ccccc2n1CCOc1cc(C)c(Cl)c(C)c1 ZINC000040224650 183047069 /nfs/dbraw/zinc/04/70/69/183047069.db2.gz IRJVXZNECWTZLD-UHFFFAOYSA-N 0 0 314.816 4.694 10 0 DJAERN Cc1ccc(OCCn2c3ccccc3nc2C(C)C)cc1C ZINC000040231324 183047836 /nfs/dbraw/zinc/04/78/36/183047836.db2.gz FGXVQOJVAAYJTH-UHFFFAOYSA-N 0 0 308.425 4.856 10 0 DJAERN Cc1cccc(OCCn2c3ccccc3nc2C(C)C)c1C ZINC000040231236 183047898 /nfs/dbraw/zinc/04/78/98/183047898.db2.gz ZPPKRJDAPSTEQA-UHFFFAOYSA-N 0 0 308.425 4.856 10 0 DJAERN CCc1nc2ccccc2n1CCCOc1ccc(C)c(C)c1 ZINC000040227415 183047956 /nfs/dbraw/zinc/04/79/56/183047956.db2.gz YYVQRRQEHXOWHN-UHFFFAOYSA-N 0 0 308.425 4.685 10 0 DJAERN Cc1c(Cl)ccc2c(NC(=O)/C=C/c3ccccc3)ccnc12 ZINC000040359163 183056195 /nfs/dbraw/zinc/05/61/95/183056195.db2.gz OJYWPVMTXJULJM-JXMROGBWSA-N 0 0 322.795 4.849 10 0 DJAERN CCOCCCn1c2cc(Cl)ccc2nc1-c1ccccc1 ZINC000040403302 183061687 /nfs/dbraw/zinc/06/16/87/183061687.db2.gz VRYOMPVMEXLGIO-UHFFFAOYSA-N 0 0 314.816 4.783 10 0 DJAERN CCOCCn1c2ccc(Cl)cc2nc1-c1cccc(C)c1 ZINC000040405146 183062342 /nfs/dbraw/zinc/06/23/42/183062342.db2.gz YEUMPKNBNGVVBZ-UHFFFAOYSA-N 0 0 314.816 4.702 10 0 DJAERN CCCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000040409583 183062709 /nfs/dbraw/zinc/06/27/09/183062709.db2.gz CVZLFPXSQBZEFA-UHFFFAOYSA-N 0 0 308.303 4.649 10 0 DJAERN CC(C)(C)c1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000040409627 183062753 /nfs/dbraw/zinc/06/27/53/183062753.db2.gz FQPUSMMHTYPRDA-UHFFFAOYSA-N 0 0 322.330 4.994 10 0 DJAERN CC(C)Cn1c(COc2ccccc2)nc2ccc(Cl)cc21 ZINC000040417708 183063549 /nfs/dbraw/zinc/06/35/49/183063549.db2.gz OIYAYZNERAWEJY-UHFFFAOYSA-N 0 0 314.816 4.925 10 0 DJAERN CCCn1c(COc2ccccc2C)nc2ccc(Cl)cc21 ZINC000040417553 183063654 /nfs/dbraw/zinc/06/36/54/183063654.db2.gz ZLMAORFBUYPCNZ-UHFFFAOYSA-N 0 0 314.816 4.987 10 0 DJAERN CCCn1c(COc2ccccc2C)nc2cc(Cl)ccc21 ZINC000040417552 183063667 /nfs/dbraw/zinc/06/36/67/183063667.db2.gz YJXWIHWGBVOUMK-UHFFFAOYSA-N 0 0 314.816 4.987 10 0 DJAERN CCCn1c(COc2ccc(C)cc2)nc2ccc(Cl)cc21 ZINC000040417557 183063699 /nfs/dbraw/zinc/06/36/99/183063699.db2.gz IQQLGPLFWOLFRZ-UHFFFAOYSA-N 0 0 314.816 4.987 10 0 DJAERN Cn1c(COc2ccc3ccccc3c2)nc2ccc(Cl)cc21 ZINC000040417086 183063806 /nfs/dbraw/zinc/06/38/06/183063806.db2.gz YHIAWKZVGQXJSK-UHFFFAOYSA-N 0 0 322.795 4.959 10 0 DJAERN Cc1cccc(Nc2ncnc(Oc3ccc(C)c(C)c3)c2N)c1 ZINC000040781723 183133235 /nfs/dbraw/zinc/13/32/35/183133235.db2.gz UCDFJWSEJCICBR-UHFFFAOYSA-N 0 0 320.396 4.520 10 0 DJAERN Cc1ccc(Oc2ncnc(Oc3ccc(C)c(C)c3)c2N)cc1 ZINC000040796349 183135136 /nfs/dbraw/zinc/13/51/36/183135136.db2.gz FZFHSLNQXYPYBJ-UHFFFAOYSA-N 0 0 321.380 4.569 10 0 DJAERN CCCCCCNC(=O)/C=C/c1ccccc1OCCCC ZINC000040942226 183149566 /nfs/dbraw/zinc/14/95/66/183149566.db2.gz NZVHLSIJADPMJC-BUHFOSPRSA-N 0 0 303.446 4.575 10 0 DJAERN CC(C)CC(=O)Nc1nc(-c2ccc(OC(C)C)cc2)cs1 ZINC000040946889 183149614 /nfs/dbraw/zinc/14/96/14/183149614.db2.gz FPJLXUMCADNIRH-UHFFFAOYSA-N 0 0 318.442 4.582 10 0 DJAERN CCOc1ccccc1-c1cn2c3ccc(C)cc3sc2n1 ZINC000040964239 183151990 /nfs/dbraw/zinc/15/19/90/183151990.db2.gz QPHYMMIUBHTYAH-UHFFFAOYSA-N 0 0 308.406 4.923 10 0 DJAERN CCOc1ccc(-c2nc3sc4ccccc4n3c2C)cc1 ZINC000040964178 183152236 /nfs/dbraw/zinc/15/22/36/183152236.db2.gz XXHYGZFKLDDTRB-UHFFFAOYSA-N 0 0 308.406 4.923 10 0 DJAERN COc1ccc2c(c1)sc1nc(-c3ccc(F)cc3)c(C)n21 ZINC000040964249 183152237 /nfs/dbraw/zinc/15/22/37/183152237.db2.gz AFLMWDNCVZJARZ-UHFFFAOYSA-N 0 0 312.369 4.672 10 0 DJAERN CCSc1nn2c(C)c(-c3ccc(Cl)cc3)nc2s1 ZINC000040965090 183152252 /nfs/dbraw/zinc/15/22/52/183152252.db2.gz UTFVFPJLPXELDA-UHFFFAOYSA-N 0 0 309.847 4.532 10 0 DJAERN CCCCCCc1nn2cc(-c3ccc(F)cc3)nc2s1 ZINC000040963688 183152401 /nfs/dbraw/zinc/15/24/01/183152401.db2.gz ZYVQOKYNIXVIFP-UHFFFAOYSA-N 0 0 303.406 4.720 10 0 DJAERN CCOc1ccccc1-c1cn2cc(Cl)cc(Cl)c2n1 ZINC000040980471 183154671 /nfs/dbraw/zinc/15/46/71/183154671.db2.gz WORLTKZJAGUXNW-UHFFFAOYSA-N 0 0 307.180 4.707 10 0 DJAERN CCOc1cc(-c2nc3cc(C)ccc3[nH]2)ccc1OC(C)C ZINC000041006032 183155677 /nfs/dbraw/zinc/15/56/77/183155677.db2.gz MOUOADGCYDAQAR-UHFFFAOYSA-N 0 0 310.397 4.724 10 0 DJAERN Cc1ccc(/C=C/C(=O)Nc2nc3c(cc(C)cc3C)s2)cc1 ZINC000041012752 183156885 /nfs/dbraw/zinc/15/68/85/183156885.db2.gz SQDSKFMSPNFQRP-CMDGGOBGSA-N 0 0 322.433 4.873 10 0 DJAERN O=C(Nc1ccnc2ccc(C(F)(F)F)cc21)c1ccccc1 ZINC000041057184 183160149 /nfs/dbraw/zinc/16/01/49/183160149.db2.gz CJDUUDYETSCMQH-UHFFFAOYSA-N 0 0 316.282 4.506 10 0 DJAERN O=C(Nc1ccnc2c1cccc2C(F)(F)F)c1cccs1 ZINC000041057609 183160916 /nfs/dbraw/zinc/16/09/16/183160916.db2.gz CIWBELJTTOMQLH-UHFFFAOYSA-N 0 0 322.311 4.567 10 0 DJAERN Cc1ccccc1OC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000040868199 183144707 /nfs/dbraw/zinc/14/47/07/183144707.db2.gz HTVIZWJBCHFHDL-VQHVLOKHSA-N 0 0 307.176 4.921 10 0 DJAERN OC[C@@H](Cc1ccc(Cl)cc1)Cc1c(F)cccc1Cl ZINC000041564664 183202850 /nfs/dbraw/zinc/20/28/50/183202850.db2.gz VQRJKHKAVDWHMX-LBPRGKRZSA-N 0 0 313.199 4.526 10 0 DJAERN OC[C@@H](Cc1ccccc1Cl)Cc1c(F)cccc1Cl ZINC000041564649 183202868 /nfs/dbraw/zinc/20/28/68/183202868.db2.gz LCIJTXWFBAGIMK-NSHDSACASA-N 0 0 313.199 4.526 10 0 DJAERN C[C@H](N(C)CC(=O)c1cc(Cl)sc1Cl)C(C)(C)C ZINC000042774089 183307097 /nfs/dbraw/zinc/30/70/97/183307097.db2.gz KPIPGTAUPFFTGU-QMMMGPOBSA-N 0 0 308.274 4.604 10 0 DJAERN Cc1csc(SCc2cc(Br)cs2)n1 ZINC000043687767 183381401 /nfs/dbraw/zinc/38/14/01/183381401.db2.gz LKYIHYNRIRRFJO-UHFFFAOYSA-N 0 0 306.275 4.568 10 0 DJAERN O=C(COc1cc(Cl)c(Cl)cc1Cl)c1ccco1 ZINC000048101591 183621442 /nfs/dbraw/zinc/62/14/42/183621442.db2.gz FKLJPSSKFMUZQF-UHFFFAOYSA-N 0 0 305.544 4.502 10 0 DJAERN C[C@@H]1CCC[C@@H](C(=O)Cc2ccc(Br)cc2F)C1 ZINC000053780066 183912397 /nfs/dbraw/zinc/91/23/97/183912397.db2.gz XIDYLFZVFLJKPZ-ZYHUDNBSSA-N 0 0 313.210 4.526 10 0 DJAERN CCc1ccc2oc(C(=O)Nc3cccc(OC)c3)c(C)c2c1 ZINC000054644742 183947116 /nfs/dbraw/zinc/94/71/16/183947116.db2.gz GPAOUMNPQBQKQU-UHFFFAOYSA-N 0 0 309.365 4.565 10 0 DJAERN Cc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000057159347 184029180 /nfs/dbraw/zinc/02/91/80/184029180.db2.gz NOYAENPVMWCNKW-VIFPVBQESA-N 0 0 313.184 4.778 10 0 DJAERN CC(=O)c1ccc(SCc2ccccc2)c(Br)c1 ZINC000061696431 184183295 /nfs/dbraw/zinc/18/32/95/184183295.db2.gz SSLCYVHQSCGHNP-UHFFFAOYSA-N 0 0 321.239 4.944 10 0 DJAERN FC(F)(F)c1ccc2c(c1)NC[C@@H](c1ccc(Cl)cc1)O2 ZINC000062564551 184243062 /nfs/dbraw/zinc/24/30/62/184243062.db2.gz ZNNHQVOWMFUDJQ-AWEZNQCLSA-N 0 0 313.706 4.904 10 0 DJAERN O[C@H](Cc1c(F)cccc1Cl)c1ccc(F)c(Cl)c1 ZINC000062791853 184253128 /nfs/dbraw/zinc/25/31/28/184253128.db2.gz WCHZEFHRPGQBSS-CQSZACIVSA-N 0 0 303.135 4.548 10 0 DJAERN O[C@H](Cc1ccc(Br)s1)c1cc2ccccc2o1 ZINC000062797389 184253375 /nfs/dbraw/zinc/25/33/75/184253375.db2.gz JEOSYJRRNCVWCM-LLVKDONJSA-N 0 0 323.211 4.533 10 0 DJAERN CCCCC(=O)Nc1ccc(C(C)(C)C)cc1Br ZINC000065001110 184307832 /nfs/dbraw/zinc/30/78/32/184307832.db2.gz LISBRUQZZPZRDT-UHFFFAOYSA-N 0 0 312.251 4.875 10 0 DJAERN CCc1ccc(NC(=O)C2CCCCC2)c(Br)c1 ZINC000065000223 184307895 /nfs/dbraw/zinc/30/78/95/184307895.db2.gz WJHWPICTXUHHDR-UHFFFAOYSA-N 0 0 310.235 4.530 10 0 DJAERN CCCCc1ccc(NC(=O)c2ccco2)c(Br)c1 ZINC000064985469 184308129 /nfs/dbraw/zinc/30/81/29/184308129.db2.gz YOMRJZSHFVTFAZ-UHFFFAOYSA-N 0 0 322.202 4.637 10 0 DJAERN CC(C)=CC(=O)Nc1ccc(C(C)(C)C)cc1Br ZINC000065001145 184308131 /nfs/dbraw/zinc/30/81/31/184308131.db2.gz MDXOQXLCWWVRIJ-UHFFFAOYSA-N 0 0 310.235 4.651 10 0 DJAERN COc1cc(Cl)ccc1-c1cc(O)cc(C(F)(F)F)c1 ZINC000065344312 184325871 /nfs/dbraw/zinc/32/58/71/184325871.db2.gz VOLCVTFPDOMAGH-UHFFFAOYSA-N 0 0 302.679 4.740 10 0 DJAERN COc1ccc(Cl)cc1-c1cc(O)cc(C(F)(F)F)c1 ZINC000065344315 184326052 /nfs/dbraw/zinc/32/60/52/184326052.db2.gz KVEUKCVBNBDXBA-UHFFFAOYSA-N 0 0 302.679 4.740 10 0 DJAERN COc1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1Cl ZINC000065344311 184326260 /nfs/dbraw/zinc/32/62/60/184326260.db2.gz JPOASSGMDJACTB-UHFFFAOYSA-N 0 0 318.678 4.620 10 0 DJAERN Brc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000066055058 184386090 /nfs/dbraw/zinc/38/60/90/184386090.db2.gz RGXOJKXWRRGKJN-UHFFFAOYSA-N 0 0 302.171 4.509 10 0 DJAERN CC[C@H]1C(=O)[C@H](CC)[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000003683239 257267374 /nfs/dbraw/zinc/26/73/74/257267374.db2.gz UWLZKFVZABBKHL-UAFMIMERSA-N 0 0 307.437 4.694 10 0 DJAERN CC(C)(C)C(=O)Nc1c(-c2ccccc2)n[nH]c1-c1ccccc1 ZINC000034796408 257269865 /nfs/dbraw/zinc/26/98/65/257269865.db2.gz PHYDUWBWKNAKGL-UHFFFAOYSA-N 0 0 319.408 4.728 10 0 DJAERN O=C(Nc1cccc(Cl)c1Cl)c1ccc2cc[nH]c2c1 ZINC000060830640 332186101 /nfs/dbraw/zinc/18/61/01/332186101.db2.gz SKTCXVZPPZSJRN-UHFFFAOYSA-N 0 0 305.164 4.727 10 0 DJAERN CC[C@@H](NCc1csc(-c2ccccn2)n1)c1cccs1 ZINC000048417166 332303690 /nfs/dbraw/zinc/30/36/90/332303690.db2.gz SJIAAXSMBZQFNU-CYBMUJFWSA-N 0 0 315.467 4.508 10 0 DJAERN C[C@H](C(=O)N1CCC[C@@H]1c1ccco1)c1ccc2ccccc2c1 ZINC000177271670 332980079 /nfs/dbraw/zinc/98/00/79/332980079.db2.gz SNZLWFUNTYZMGD-HNAYVOBHSA-N 0 0 319.404 4.900 10 0 DJAERN Cc1csc([C@@H]2CCCN(C(=O)CC3CCCCCC3)C2)n1 ZINC000177503377 332989374 /nfs/dbraw/zinc/98/93/74/332989374.db2.gz IILNOUQDKQPYKI-MRXNPFEDSA-N 0 0 320.502 4.518 10 0 DJAERN Cc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2F)c(C)c1 ZINC000040432642 333352930 /nfs/dbraw/zinc/35/29/30/333352930.db2.gz MCYBAUJAKHEXIQ-LBPRGKRZSA-N 0 0 305.780 4.587 10 0 DJAERN Cc1nc(CN[C@H](C)c2c(Cl)ccc(F)c2Cl)cs1 ZINC000040443785 333353110 /nfs/dbraw/zinc/35/31/10/333353110.db2.gz IVMGZLBWRLQJNY-SSDOTTSWSA-N 0 0 319.232 4.748 10 0 DJAERN Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2cccs2)c(C)s1 ZINC000047976882 333556162 /nfs/dbraw/zinc/55/61/62/333556162.db2.gz MMZSLXARNZCMQV-GHMZBOCLSA-N 0 0 308.472 4.548 10 0 DJAERN O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC[C@@H]1c1ccco1 ZINC000152141598 333623471 /nfs/dbraw/zinc/62/34/71/333623471.db2.gz WLEOHUFYWUZFDT-YLFCFFPRSA-N 0 0 301.430 4.550 10 0 DJAERN Cc1ccc2cc(C[NH2+][C@H](C)c3ccc(F)c(F)c3)ccc2n1 ZINC000187637989 334266241 /nfs/dbraw/zinc/26/62/41/334266241.db2.gz STXOANDUJGWALQ-CYBMUJFWSA-N 0 0 312.363 4.672 10 0 DJAERN COc1ccccc1NC(=O)c1c(C)c(C)oc1-c1ccccc1 ZINC000187742540 334270685 /nfs/dbraw/zinc/27/06/85/334270685.db2.gz KZXBKOZCBLSVCW-UHFFFAOYSA-N 0 0 321.376 4.824 10 0 DJAERN CC(C)CCN(C(=O)N[C@@H](C)c1ccc(Cl)s1)C1CC1 ZINC000097437170 335855603 /nfs/dbraw/zinc/85/56/03/335855603.db2.gz QXRMBJRBQQCTKP-NSHDSACASA-N 0 0 314.882 4.683 10 0 DJAERN C[C@H](NC(=O)Nc1c(F)cccc1F)c1ccc(Cl)s1 ZINC000043265141 336251953 /nfs/dbraw/zinc/25/19/53/336251953.db2.gz ZLBIUZDYBYHCRA-ZETCQYMHSA-N 0 0 316.760 4.562 10 0 DJAERN Cc1ccc([C@H](C)NC(=O)c2cc(C3CC3)nc3ccccc32)o1 ZINC000104831332 336270517 /nfs/dbraw/zinc/27/05/17/336270517.db2.gz SHZUOUZLJHHSSE-ZDUSSCGKSA-N 0 0 320.392 4.505 10 0 DJAERN Cc1ccc([C@@H](C)NC(=O)c2cc(C3CC3)nc3ccccc32)o1 ZINC000104831330 336270564 /nfs/dbraw/zinc/27/05/64/336270564.db2.gz SHZUOUZLJHHSSE-CYBMUJFWSA-N 0 0 320.392 4.505 10 0 DJAERN C[C@@H](Nc1ccnc(C2CC2)n1)c1cc2cc(Cl)ccc2o1 ZINC000301274430 336298097 /nfs/dbraw/zinc/29/80/97/336298097.db2.gz LGQZLSAIDCWAJF-SNVBAGLBSA-N 0 0 313.788 4.927 10 0 DJAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2c2ncnc3ccccc32)o1 ZINC000301465671 336308547 /nfs/dbraw/zinc/30/85/47/336308547.db2.gz XCRZRQDBRUGDOY-GUYCJALGSA-N 0 0 307.397 4.509 10 0 DJAERN Cc1ccc([C@@H]2C[C@H](C)CCN2c2ncnc3ccccc32)o1 ZINC000301465670 336308640 /nfs/dbraw/zinc/30/86/40/336308640.db2.gz XCRZRQDBRUGDOY-DYVFJYSZSA-N 0 0 307.397 4.509 10 0 DJAERN C[C@H](Nc1cc(C(F)(F)F)ccn1)c1ccc(F)c(F)c1 ZINC000301510007 336311419 /nfs/dbraw/zinc/31/14/19/336311419.db2.gz DWBAXWJQKCFOAR-QMMMGPOBSA-N 0 0 302.246 4.552 10 0 DJAERN CCc1sc([C@H](C)Nc2nccc(C(F)(F)F)n2)cc1C ZINC000301770461 336328618 /nfs/dbraw/zinc/32/86/18/336328618.db2.gz KGSYTDQXDYOMMN-VIFPVBQESA-N 0 0 315.364 4.601 10 0 DJAERN CC(C)c1nsc(N[C@@H](c2cc(F)ccc2F)C2CC2)n1 ZINC000301946906 336339385 /nfs/dbraw/zinc/33/93/85/336339385.db2.gz COAJXNSTKNETPS-CYBMUJFWSA-N 0 0 309.385 4.503 10 0 DJAERN C[C@H](Nc1nnc(Cc2ccc(F)cc2)s1)c1cccs1 ZINC000302110783 336348932 /nfs/dbraw/zinc/34/89/32/336348932.db2.gz PLLCQZLSFORHGQ-JTQLQIEISA-N 0 0 319.430 4.503 10 0 DJAERN C[C@@H](Nc1ncc(C(F)(F)F)s1)c1ccc(F)c(F)c1 ZINC000302773443 336368400 /nfs/dbraw/zinc/36/84/00/336368400.db2.gz NSPZVAQYQLKWOV-ZCFIWIBFSA-N 0 0 308.275 4.613 10 0 DJAERN CC(C)c1ccc([C@H](C)NC(=O)[C@H]2CCCc3cccnc32)cc1 ZINC000193853007 337079589 /nfs/dbraw/zinc/07/95/89/337079589.db2.gz CDYYWQXUAFFKDQ-KXBFYZLASA-N 0 0 322.452 4.502 10 0 DJAERN COc1ccc([C@H](C)Nc2cccc(-c3cnco3)c2)cc1OC ZINC000193909747 337080527 /nfs/dbraw/zinc/08/05/27/337080527.db2.gz GMVNXDYOGUCSLQ-ZDUSSCGKSA-N 0 0 324.380 4.532 10 0 DJAERN COc1ccc(OC)c([C@H](C)Nc2cccc(-c3cnco3)c2)c1 ZINC000193910440 337080583 /nfs/dbraw/zinc/08/05/83/337080583.db2.gz TVHMXPDBWHQANS-ZDUSSCGKSA-N 0 0 324.380 4.532 10 0 DJAERN C=Cn1cc(C[NH2+][C@H](C)c2ccc(-c3ccccc3)cc2)cn1 ZINC000194187147 337082519 /nfs/dbraw/zinc/08/25/19/337082519.db2.gz KVGKEAOTKSIJFF-MRXNPFEDSA-N 0 0 303.409 4.501 10 0 DJAERN Cc1csc([C@@H]2CCCN(C(=O)CCCC3CCCC3)C2)n1 ZINC000173074318 337131945 /nfs/dbraw/zinc/13/19/45/337131945.db2.gz FAVPJSXDMCORKL-MRXNPFEDSA-N 0 0 320.502 4.518 10 0 DJAERN CCCCC[C@@H](C)CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000173053091 337133303 /nfs/dbraw/zinc/13/33/03/337133303.db2.gz UIZCKOZVNDLUJU-CABCVRRESA-N 0 0 308.491 4.803 10 0 DJAERN C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1 ZINC000178612762 337165362 /nfs/dbraw/zinc/16/53/62/337165362.db2.gz CPPWCCZWMMVFOZ-QRWLVFNGSA-N 0 0 306.384 4.661 10 0 DJAERN Cc1ccccc1[C@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000178611664 337165405 /nfs/dbraw/zinc/16/54/05/337165405.db2.gz QONXVOLBJDAFGU-LAUBAEHRSA-N 0 0 302.421 4.830 10 0 DJAERN Cc1ccccc1[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000178611641 337165526 /nfs/dbraw/zinc/16/55/26/337165526.db2.gz QONXVOLBJDAFGU-UWJYYQICSA-N 0 0 302.421 4.830 10 0 DJAERN C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccc(Cl)nc1 ZINC000179119918 337167995 /nfs/dbraw/zinc/16/79/95/337167995.db2.gz FNEYIKPBTBFTPZ-LIRRHRJNSA-N 0 0 323.827 4.570 10 0 DJAERN CC[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1cccs1 ZINC000179809584 337171930 /nfs/dbraw/zinc/17/19/30/337171930.db2.gz MDMQOADXRHVNCO-AWEZNQCLSA-N 0 0 300.427 4.586 10 0 DJAERN CC[C@@H](N[C@H](C)c1nc(-c2ccccc2)no1)c1cccs1 ZINC000184044023 337196945 /nfs/dbraw/zinc/19/69/45/337196945.db2.gz AOUXEGQQRCTQDJ-TZMCWYRMSA-N 0 0 313.426 4.600 10 0 DJAERN CSc1cccc(C)c1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000184992822 337202269 /nfs/dbraw/zinc/20/22/69/337202269.db2.gz AEEQJTCXNSJNGN-ZDUSSCGKSA-N 0 0 316.426 4.679 10 0 DJAERN COc1ccsc1[C@H](C)N[C@H](c1ccccc1)c1cccnc1 ZINC000186150472 337253990 /nfs/dbraw/zinc/25/39/90/337253990.db2.gz UKTPUQYZASAPGH-KBXCAEBGSA-N 0 0 324.449 4.592 10 0 DJAERN COc1ccsc1[C@H](C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000186150433 337254030 /nfs/dbraw/zinc/25/40/30/337254030.db2.gz UKTPUQYZASAPGH-KSSFIOAISA-N 0 0 324.449 4.592 10 0 DJAERN CCC[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1 ZINC000186529404 337257375 /nfs/dbraw/zinc/25/73/75/337257375.db2.gz UMEZYHKSXTXMJB-QGZVFWFLSA-N 0 0 309.413 4.617 10 0 DJAERN Cc1nc([C@@H]2CCCN2C(=O)c2cccc3ccccc32)cs1 ZINC000187012870 337261158 /nfs/dbraw/zinc/26/11/58/337261158.db2.gz GSFCFOFXSHCTHS-SFHVURJKSA-N 0 0 322.433 4.582 10 0 DJAERN CC[C@@H](NCc1ncc(-c2ccccc2)cn1)c1cccc(F)c1 ZINC000188467811 337273560 /nfs/dbraw/zinc/27/35/60/337273560.db2.gz FZVODILFAAXKBO-LJQANCHMSA-N 0 0 321.399 4.524 10 0 DJAERN CC[C@H](NCc1ncc(-c2ccccc2)cn1)c1cccc(F)c1 ZINC000188467785 337273597 /nfs/dbraw/zinc/27/35/97/337273597.db2.gz FZVODILFAAXKBO-IBGZPJMESA-N 0 0 321.399 4.524 10 0 DJAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@@H]4[C@H]3CC[C@]12C ZINC000584601618 337370898 /nfs/dbraw/zinc/37/08/98/337370898.db2.gz DXUYOJCCUGCSMQ-XGXHKTLJSA-N 0 0 300.442 4.657 10 0 DJAERN O=C(C1CCCCCC1)N1Cc2cccnc2Nc2ccccc21 ZINC000584606250 337371649 /nfs/dbraw/zinc/37/16/49/337371649.db2.gz IHPXGPDSWGOAQK-UHFFFAOYSA-N 0 0 321.424 4.642 10 0 DJAERN C[C@@H](CO[C@H]1CCCCO1)CC(C)(C)C1SCCCS1 ZINC000584615294 337372761 /nfs/dbraw/zinc/37/27/61/337372761.db2.gz WOHVSSSWJISFKP-KGLIPLIRSA-N 0 0 318.548 4.778 10 0 DJAERN COc1ccc(C)c(CC[C@@H]2CCC[C@]3(C)[C@H](O)CC[C@H]23)c1 ZINC000584618245 337373256 /nfs/dbraw/zinc/37/32/56/337373256.db2.gz PNRGVYNNMSDGQS-OBZTUIKSSA-N 0 0 302.458 4.514 10 0 DJAERN Nc1cccc(OCCc2ccc(Oc3ccccc3)cc2)c1 ZINC000584592628 337373527 /nfs/dbraw/zinc/37/35/27/337373527.db2.gz TWRWOIBTJOGJIC-UHFFFAOYSA-N 0 0 305.377 4.683 10 0 DJAERN C[Si](C)(C)c1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000584592880 337373529 /nfs/dbraw/zinc/37/35/29/337373529.db2.gz WJLIICNCQZJSOE-UHFFFAOYSA-N 0 0 319.480 4.637 10 0 DJAERN COc1cc(OC)cc([C@@H](C)[C@H](C)Cc2ccc(F)cc2)c1 ZINC000584593131 337373643 /nfs/dbraw/zinc/37/36/43/337373643.db2.gz UILNVJJEEZZRRG-KGLIPLIRSA-N 0 0 302.389 4.825 10 0 DJAERN C[C@@H](COC(=O)c1ccc(Br)cc1)CC(C)(C)C ZINC000584598062 337374491 /nfs/dbraw/zinc/37/44/91/337374491.db2.gz BCTKTKNRUARXRT-LLVKDONJSA-N 0 0 313.235 4.678 10 0 DJAERN O=C1Nc2cc(Cl)ccc2CC[C@@H]1c1ccc(Cl)cc1 ZINC000584626652 337375996 /nfs/dbraw/zinc/37/59/96/337375996.db2.gz WXWOHGKMBXUVPE-CQSZACIVSA-N 0 0 306.192 4.662 10 0 DJAERN CC(C)[C@@](O)(CCCc1ccccn1)c1ccccc1Cl ZINC000584628366 337376295 /nfs/dbraw/zinc/37/62/95/337376295.db2.gz BXTVQSRWEKCRRT-SFHVURJKSA-N 0 0 303.833 4.602 10 0 DJAERN O=C1Nc2cc(F)ccc2Nc2sc(-c3ccccc3)cc21 ZINC000584636276 337376599 /nfs/dbraw/zinc/37/65/99/337376599.db2.gz NUXDVNVUAGSNKT-UHFFFAOYSA-N 0 0 310.353 4.864 10 0 DJAERN COC(=O)N(Cc1ccc(C)cc1)c1c(O)ccc2ccccc21 ZINC000584656721 337378097 /nfs/dbraw/zinc/37/80/97/337378097.db2.gz QYEIHDZFNZSCQB-UHFFFAOYSA-N 0 0 321.376 4.627 10 0 DJAERN C[C@@](O)(c1ccc(Cl)cc1)[C@@H](c1ccccc1)c1ccncc1 ZINC000584636888 337379356 /nfs/dbraw/zinc/37/93/56/337379356.db2.gz IDZVPEGYANETJH-VQTJNVASSA-N 0 0 323.823 4.775 10 0 DJAERN Cc1cccc(Oc2c[nH]nc2-c2ccc(Cl)cc2Cl)n1 ZINC000584648405 337380351 /nfs/dbraw/zinc/38/03/51/337380351.db2.gz ITMWFUQIURSNCL-UHFFFAOYSA-N 0 0 320.179 4.879 10 0 DJAERN C[C@@H](CC(=O)N1CC=C(c2cccs2)CC1)c1ccccc1 ZINC000117724451 337393630 /nfs/dbraw/zinc/39/36/30/337393630.db2.gz ZHYPHDMYUCDMEP-HNNXBMFYSA-N 0 0 311.450 4.558 10 0 DJAERN Cc1cccc(C)c1NC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000119628522 337394929 /nfs/dbraw/zinc/39/49/29/337394929.db2.gz XRMPMIZPBFDJRR-UHFFFAOYSA-N 0 0 324.399 4.764 10 0 DJAERN CCCCc1nc(CN2CCCC[C@H]2c2nccs2)cs1 ZINC000195372669 337466372 /nfs/dbraw/zinc/46/63/72/337466372.db2.gz DTSOCXIEWDOXBS-AWEZNQCLSA-N 0 0 321.515 4.669 10 0 DJAERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1ccccc1 ZINC000245917804 337497752 /nfs/dbraw/zinc/49/77/52/337497752.db2.gz FVNXGQLIFFHDTO-ZACQAIPSSA-N 0 0 311.450 4.524 10 0 DJAERN COc1ccccc1NCc1ncc(-c2ccccc2Cl)o1 ZINC000072910790 337548952 /nfs/dbraw/zinc/54/89/52/337548952.db2.gz WTXRRLDWIIENAY-UHFFFAOYSA-N 0 0 314.772 4.616 10 0 DJAERN CC(C)c1ccc([C@@H]2C[C@@H]2c2nc(-c3ccncc3)no2)cc1 ZINC000120034006 337869661 /nfs/dbraw/zinc/86/96/61/337869661.db2.gz MPDHXEKJZBVYRO-IRXDYDNUSA-N 0 0 305.381 4.526 10 0 DJAERN Cc1ccccc1-c1noc([C@@H](C)N2CCC[C@@H]2c2ccco2)n1 ZINC000174169794 340383378 /nfs/dbraw/zinc/38/33/78/340383378.db2.gz SEYDYJRCBUOGAJ-GDBMZVCRSA-N 0 0 323.396 4.536 10 0 DJAERN Cc1cccc(NC(=O)N2CCCC[C@H]2c2nccs2)c1C ZINC000176247546 340425945 /nfs/dbraw/zinc/42/59/45/340425945.db2.gz CCLRLCXMSPCNAH-HNNXBMFYSA-N 0 0 315.442 4.519 10 0 DJAERN Cc1ccc([C@H](C)Nc2cncc(Br)c2)cc1C ZINC000310602540 340441515 /nfs/dbraw/zinc/44/15/15/340441515.db2.gz RZCRWQNFHGLCAC-LBPRGKRZSA-N 0 0 305.219 4.634 10 0 DJAERN Cc1cncc([C@@H](C)N[C@@H](C)c2ccccc2Br)c1 ZINC000184248053 340491432 /nfs/dbraw/zinc/49/14/32/340491432.db2.gz HWLUQFSOTKGWHR-OLZOCXBDSA-N 0 0 319.246 4.564 10 0 DJAERN Cc1ccc(CN(C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)o1 ZINC000194345236 340591420 /nfs/dbraw/zinc/59/14/20/340591420.db2.gz RNIHDBAAIIGPMT-HNNXBMFYSA-N 0 0 322.408 4.644 10 0 DJAERN CCc1cnc(CNc2nc3ccc(Cl)cc3s2)s1 ZINC000230054132 340617779 /nfs/dbraw/zinc/61/77/79/340617779.db2.gz LBWLMTAROGPWER-UHFFFAOYSA-N 0 0 309.847 4.581 10 0 DJAERN CC(=O)Nc1ccc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1Cl ZINC000036983170 340726298 /nfs/dbraw/zinc/72/62/98/340726298.db2.gz ZSDAPFDPVYZTTP-BXUZGUMPSA-N 0 0 308.853 4.925 10 0 DJAERN CC(=O)Nc1ccc(N[C@H]2C[C@H](C)CC(C)(C)C2)cc1Cl ZINC000036983169 340726389 /nfs/dbraw/zinc/72/63/89/340726389.db2.gz ZSDAPFDPVYZTTP-FZMZJTMJSA-N 0 0 308.853 4.925 10 0 DJAERN CCC[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(C(C)C)cc2)CCO1 ZINC000245656338 341308013 /nfs/dbraw/zinc/30/80/13/341308013.db2.gz DQGBNQFUSMOSPN-ATZDWAIDSA-N 0 0 317.473 4.583 10 0 DJAERN O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC[C@H]1c1ccco1 ZINC000245955268 341319597 /nfs/dbraw/zinc/31/95/97/341319597.db2.gz WLEOHUFYWUZFDT-NXOAAHMSSA-N 0 0 301.430 4.550 10 0 DJAERN C[C@H](c1ccco1)N(C)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000246486524 341350444 /nfs/dbraw/zinc/35/04/44/341350444.db2.gz GHUHGIGXCXHOQC-CKEIUWERSA-N 0 0 312.413 4.621 10 0 DJAERN Cc1noc(C2CC2)c1NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000156600035 341623595 /nfs/dbraw/zinc/62/35/95/341623595.db2.gz DQDGVKRDWNVKPU-IAGOWNOFSA-N 0 0 324.424 4.726 10 0 DJAERN Cc1ccc([C@@H](C)N[C@H](C)c2cc(C)ccc2OC(F)F)o1 ZINC000158101709 341651504 /nfs/dbraw/zinc/65/15/04/341651504.db2.gz URESJTXNMILIQT-CHWSQXEVSA-N 0 0 309.356 4.910 10 0 DJAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)[C@@H](C)c2ccncc2)cc1 ZINC000130437337 519839436 /nfs/dbraw/zinc/83/94/36/519839436.db2.gz QEQNPEDMKMGFPZ-YSSFQJQWSA-N 0 0 322.452 4.528 10 0 DJAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)[C@@H](C)c2ccccn2)cc1 ZINC000130404581 519839485 /nfs/dbraw/zinc/83/94/85/519839485.db2.gz SHYQHLPXZCNQQV-SNRMKQJTSA-N 0 0 322.452 4.528 10 0 DJAERN CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000190879561 521424788 /nfs/dbraw/zinc/42/47/88/521424788.db2.gz SINUQCMRANNYHX-WMLDXEAASA-N 0 0 303.446 4.516 10 0 DJAERN C[C@@H]1CC[C@H](N[C@H](c2ncc[nH]2)c2ccccc2)c2ccccc21 ZINC000128188929 524706056 /nfs/dbraw/zinc/70/60/56/524706056.db2.gz OKBUKWWFPCCYOW-XPGWFJOJSA-N 0 0 317.436 4.727 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)o1 ZINC000127536197 525800351 /nfs/dbraw/zinc/80/03/51/525800351.db2.gz QRINRYQEOLINLI-KBPBESRZSA-N 0 0 303.427 4.507 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)CCCc2cccs2)o1 ZINC000127969568 525991501 /nfs/dbraw/zinc/99/15/01/525991501.db2.gz KNIRGGWJXHDTOC-MRXNPFEDSA-N 0 0 317.454 4.726 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2cc(F)ccc2C)o1 ZINC000153428532 525993160 /nfs/dbraw/zinc/99/31/60/525993160.db2.gz LRRJHWHLPZPBET-MRXNPFEDSA-N 0 0 316.376 4.795 10 0 DJAERN Clc1cccc([C@H](c2ccnc3ccccc32)n2ccnc2)c1 ZINC000029135288 563433573 /nfs/dbraw/zinc/43/35/73/563433573.db2.gz FWPFVHKEQZWWIQ-LJQANCHMSA-N 0 0 319.795 4.722 10 0 DJAERN O=C(Nc1nc2c(cccc2Cl)s1)Nc1ccccc1F ZINC000048524337 563698524 /nfs/dbraw/zinc/69/85/24/563698524.db2.gz AMFSLXHWQPAYKB-UHFFFAOYSA-N 0 0 321.764 4.733 10 0 DJAERN O=C1Nc2ccccc2/C1=C\c1cccn1-c1ccc(Cl)cc1 ZINC000012369248 563850955 /nfs/dbraw/zinc/85/09/55/563850955.db2.gz LLRBKJYGSQUHEB-SFQUDFHCSA-N 0 0 320.779 4.623 10 0 DJAERN Cc1cccc(C)c1Nc1ncc(-c2ccccc2)n2cncc12 ZINC000028642117 581091989 /nfs/dbraw/zinc/09/19/89/581091989.db2.gz KKYYLKPGILUPOA-UHFFFAOYSA-N 0 0 314.392 4.757 10 0 in-vivo DJAERN Brc1ccc2nc(NC3CCCCC3)sc2c1 ZINC000082727380 185197356 /nfs/dbraw/zinc/19/73/56/185197356.db2.gz YOOOFOLPFYHXTN-UHFFFAOYSA-N 0 0 311.248 4.803 10 0 DJAERN Cc1cc(C)c([C@@H](O)c2cccs2)c(C)c1Br ZINC000083161601 185215054 /nfs/dbraw/zinc/21/50/54/185215054.db2.gz DXCSUYQPWCGOJD-AWEZNQCLSA-N 0 0 311.244 4.518 10 0 DJAERN Clc1ccc(-c2ccnc(Cl)c2Br)cc1 ZINC000090487209 185298749 /nfs/dbraw/zinc/29/87/49/185298749.db2.gz XZSIOFHVFHQGGH-UHFFFAOYSA-N 0 0 302.986 4.818 10 0 DJAERN C[C@H]1N=C(c2cnc3ccccc3c2)c2cccc(F)c2[C@H]1C ZINC000090400205 185294448 /nfs/dbraw/zinc/29/44/48/185294448.db2.gz INJFTAYADQUFCT-QWHCGFSZSA-N 0 0 304.368 4.717 10 0 DJAERN CCOC(=O)c1c(C)nc(-c2ccccc2)cc1-c1ccccc1 ZINC000090463931 185298125 /nfs/dbraw/zinc/29/81/25/185298125.db2.gz LTMNOGDBLUIMDQ-UHFFFAOYSA-N 0 0 317.388 4.901 10 0 DJAERN CC1(C)Cc2c(F)cccc2N(c2cnc3ccccc3c2)C1=O ZINC000090558654 185303493 /nfs/dbraw/zinc/30/34/93/185303493.db2.gz FLDHJIZGGUVDOD-UHFFFAOYSA-N 0 0 320.367 4.621 10 0 DJAERN CC(C)CNc1nc(-c2ccc(Br)cc2)cs1 ZINC000070135843 190860842 /nfs/dbraw/zinc/86/08/42/190860842.db2.gz UTFMTUILRYRABT-UHFFFAOYSA-N 0 0 311.248 4.641 10 0 DJAERN O=C(COc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000070144561 190862243 /nfs/dbraw/zinc/86/22/43/190862243.db2.gz IPWGOUXUINVCJB-UHFFFAOYSA-N 0 0 315.583 4.909 10 0 DJAERN O=C(COc1cccc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000070144564 190862374 /nfs/dbraw/zinc/86/23/74/190862374.db2.gz HYLASDLXUCVSPG-UHFFFAOYSA-N 0 0 315.583 4.909 10 0 DJAERN FC(F)(F)c1cccc(-c2ncsc2Br)c1 ZINC000072192151 191073388 /nfs/dbraw/zinc/07/33/88/191073388.db2.gz ANRWOFKUNDAXLJ-UHFFFAOYSA-N 0 0 308.122 4.591 10 0 DJAERN CCN(CC)c1cccc(Oc2ccc(C(F)(F)F)cc2N)c1 ZINC000072237470 191080688 /nfs/dbraw/zinc/08/06/88/191080688.db2.gz PFTOUDQBMGOEQG-UHFFFAOYSA-N 0 0 324.346 4.926 10 0 DJAERN C[C@H]1CCCN(c2nc3ccccc3c(Nc3ccccc3)n2)C1 ZINC000072260379 191088531 /nfs/dbraw/zinc/08/85/31/191088531.db2.gz ZKXFVGMTQSZDFV-HNNXBMFYSA-N 0 0 318.424 4.610 10 0 DJAERN c1ccc2c(c1)CCN2c1nccc(-c2ccc3ccccc3c2)n1 ZINC000072443419 191167629 /nfs/dbraw/zinc/16/76/29/191167629.db2.gz WUIJXYVBFBWSFS-UHFFFAOYSA-N 0 0 323.399 4.991 10 0 DJAERN Cc1ccccc1C(=O)N1c2ccc(O)cc2C(C)=CC1(C)C ZINC000072441661 191168077 /nfs/dbraw/zinc/16/80/77/191168077.db2.gz OGVSIRLHIUWUQR-UHFFFAOYSA-N 0 0 307.393 4.543 10 0 DJAERN Cc1nn2c(nccc2/C=C/c2ccccc2)c1-c1ccccc1 ZINC000072450461 191170328 /nfs/dbraw/zinc/17/03/28/191170328.db2.gz VGSKMZLNHXDQNP-OUKQBFOZSA-N 0 0 311.388 4.875 10 0 DJAERN CCc1nn2c(nccc2-c2ccco2)c1-c1cccc(Cl)c1 ZINC000072451751 191170877 /nfs/dbraw/zinc/17/08/77/191170877.db2.gz PMURWESJHVMSRK-UHFFFAOYSA-N 0 0 323.783 4.872 10 0 DJAERN CCc1ccc(NC(=O)CNc2ccc(Cl)cc2Cl)cc1 ZINC000001935203 180902559 /nfs/dbraw/zinc/90/25/59/180902559.db2.gz KNSJPVPXJHJDMP-UHFFFAOYSA-N 0 0 323.223 4.606 10 0 DJAERN CCN(c1ccccc1)c1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000001972931 180904703 /nfs/dbraw/zinc/90/47/03/180904703.db2.gz UMCZEKZABJGKKQ-ZDUSSCGKSA-N 0 0 323.465 4.974 10 0 DJAERN Oc1cccc2cc(-c3ccc(O)c(C(F)(F)F)c3)ccc12 ZINC000073141782 191282840 /nfs/dbraw/zinc/28/28/40/191282840.db2.gz RBRJVQYANZHRMU-UHFFFAOYSA-N 0 0 304.267 4.937 10 0 DJAERN O=C(/C=C/c1cccc(F)c1)Nc1nc(-c2ccccc2)cs1 ZINC000003480858 181025271 /nfs/dbraw/zinc/02/52/71/181025271.db2.gz KKQRTKLAYJYBLO-MDZDMXLPSA-N 0 0 324.380 4.601 10 0 DJAERN CCSc1nnc(-c2ccco2)n1-c1cc(Cl)ccc1C ZINC000004145529 181079240 /nfs/dbraw/zinc/07/92/40/181079240.db2.gz HYPYHYMFELZASB-UHFFFAOYSA-N 0 0 319.817 4.601 10 0 DJAERN CC1(C)Cc2n[nH]c(-c3ccc(Cl)cc3Cl)c2C(=O)C1 ZINC000004169037 181081257 /nfs/dbraw/zinc/08/12/57/181081257.db2.gz NBIAWTBHSHTGQI-UHFFFAOYSA-N 0 0 309.196 4.539 10 0 DJAERN CCCCN1c2ccc(NC(=O)C(C)(C)C)c3cccc(c23)C1=O ZINC000004223926 181086176 /nfs/dbraw/zinc/08/61/76/181086176.db2.gz VJBIVFSIXZUMEC-UHFFFAOYSA-N 0 0 324.424 4.585 10 0 DJAERN O[C@H](c1cccc2ccccc21)[C@@H](O)c1cccc2ccccc21 ZINC000004978288 181182896 /nfs/dbraw/zinc/18/28/96/181182896.db2.gz MNRCSHSTIWDUPJ-SZPZYZBQSA-N 0 0 314.384 4.760 10 0 DJAERN FC(F)(F)c1cc(Br)c2ccc(Cl)cc2n1 ZINC000075893623 191533034 /nfs/dbraw/zinc/53/30/34/191533034.db2.gz DUKCYQIYQNHEEU-UHFFFAOYSA-N 0 0 310.500 4.670 10 0 DJAERN CCC(=O)Nc1sc(C)c(C)c1-c1nc2ccccc2s1 ZINC000005255670 181222172 /nfs/dbraw/zinc/22/21/72/181222172.db2.gz UOUCEMDDWVWFFC-UHFFFAOYSA-N 0 0 316.451 4.990 10 0 DJAERN CCc1cccc2sc(NC(=O)Cc3ccc(C)cc3C)nc21 ZINC000005268167 181225159 /nfs/dbraw/zinc/22/51/59/181225159.db2.gz BMFNXVPNDRJPEH-UHFFFAOYSA-N 0 0 324.449 4.657 10 0 DJAERN CC[C@H](c1ccc(OC)c2ccccc21)n1nnc2ccccc21 ZINC000005337464 181230946 /nfs/dbraw/zinc/23/09/46/181230946.db2.gz AAISUGXFFWBRFJ-GOSISDBHSA-N 0 0 317.392 4.593 10 0 DJAERN CCCc1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000005432299 181242936 /nfs/dbraw/zinc/24/29/36/181242936.db2.gz ZSOONCZIEMWLCC-UHFFFAOYSA-N 0 0 317.816 4.618 10 0 DJAERN Clc1ccc([C@@H](c2ccccc2)n2nnc3ccccc32)cc1 ZINC000005489578 181249260 /nfs/dbraw/zinc/24/92/60/181249260.db2.gz BFJGEQFEOIWSRI-LJQANCHMSA-N 0 0 319.795 4.722 10 0 DJAERN Cc1ccc(NC(=O)COc2ccc(C)cc2C(C)(C)C)cc1 ZINC000005544607 181255457 /nfs/dbraw/zinc/25/54/57/181255457.db2.gz LIIHKYJHZFUWOX-UHFFFAOYSA-N 0 0 311.425 4.618 10 0 DJAERN Cc1[nH]c2ccccc2c1[C@H](Nc1nccs1)c1ccco1 ZINC000005697112 181273574 /nfs/dbraw/zinc/27/35/74/181273574.db2.gz UFWBDGFKVSRQLW-MRXNPFEDSA-N 0 0 309.394 4.727 10 0 DJAERN C/N=c1\scc(-c2ccccc2)n1-c1ccc(F)c(Cl)c1 ZINC000005725489 181277264 /nfs/dbraw/zinc/27/72/64/181277264.db2.gz YAGHOYHHIHTGBN-MNDPQUGUSA-N 0 0 318.804 4.529 10 0 DJAERN CCN(CC)c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000005794953 181284772 /nfs/dbraw/zinc/28/47/72/181284772.db2.gz AEMYSQRGNLGMOS-UHFFFAOYSA-N 0 0 310.441 4.909 10 0 DJAERN CSc1ccc(-c2nc3n(c2-c2ccnc(C)c2)CCC3)cc1 ZINC000005892197 181293641 /nfs/dbraw/zinc/29/36/41/181293641.db2.gz IHTRVTKAPHZJJB-UHFFFAOYSA-N 0 0 321.449 4.589 10 0 DJAERN CCCCOc1ccc(NC(=O)c2ccccc2OCC)cc1 ZINC000005951665 181300086 /nfs/dbraw/zinc/30/00/86/181300086.db2.gz VGAWCUJUDNGFND-UHFFFAOYSA-N 0 0 313.397 4.517 10 0 DJAERN Fc1ccc([C@H](c2c[nH]cc2-c2ccccc2)n2ccnc2)cc1 ZINC000005974738 181302754 /nfs/dbraw/zinc/30/27/54/181302754.db2.gz VCCSUYJQNJEZSO-HXUWFJFHSA-N 0 0 317.367 4.655 10 0 DJAERN Cc1nc(NC(=O)/C=C\c2ccc(C(C)C)cc2)sc1C ZINC000006130182 181315180 /nfs/dbraw/zinc/31/51/80/181315180.db2.gz KSYLZQHUILPZOL-YFHOEESVSA-N 0 0 300.427 4.535 10 0 DJAERN c1ccc(-c2ccc(-c3nc4n(n3)Cc3ccccc3-4)cc2)cc1 ZINC000006116750 181313829 /nfs/dbraw/zinc/31/38/29/181313829.db2.gz CFLBLPUGAAOSLY-UHFFFAOYSA-N 0 0 309.372 4.641 10 0 DJAERN CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000006307501 181328700 /nfs/dbraw/zinc/32/87/00/181328700.db2.gz PMUNGIHOBYXTPF-UHFFFAOYSA-N 0 0 324.424 4.657 10 0 DJAERN CCc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccccc1 ZINC000006398141 181337131 /nfs/dbraw/zinc/33/71/31/181337131.db2.gz JQASRLMFGMVACE-UHFFFAOYSA-N 0 0 322.433 4.933 10 0 DJAERN COc1cc(/C=C/c2ccc(SC)cc2)cc(OC)c1OC ZINC000006403529 181338023 /nfs/dbraw/zinc/33/80/23/181338023.db2.gz MBPCWAWSQVINQF-AATRIKPKSA-N 0 0 316.422 4.605 10 0 DJAERN CCN(C(=O)/C=C/c1cccc2ccccc12)c1ccccc1 ZINC000006438602 181341336 /nfs/dbraw/zinc/34/13/36/181341336.db2.gz LRZCLOKMWOFOBN-FOCLMDBBSA-N 0 0 301.389 4.906 10 0 DJAERN CCCCC(=O)Nc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000006594398 181359373 /nfs/dbraw/zinc/35/93/73/181359373.db2.gz UBRMTUGMXHOAHS-UHFFFAOYSA-N 0 0 324.424 4.684 10 0 DJAERN Cc1cccc(Oc2cccc(C(=O)Nc3ccc(F)cc3)n2)c1 ZINC000197954314 201422414 /nfs/dbraw/zinc/42/24/14/201422414.db2.gz OHLKNVZQZRRLRU-UHFFFAOYSA-N 0 0 322.339 4.574 10 0 DJAERN O=C(c1ccco1)N(CCCc1ccccc1)Cc1ccccc1 ZINC000006676496 181369286 /nfs/dbraw/zinc/36/92/86/181369286.db2.gz SHARUMSZSBGYRH-UHFFFAOYSA-N 0 0 319.404 4.555 10 0 DJAERN CC(C)(C)c1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccn1 ZINC000006882949 181401226 /nfs/dbraw/zinc/40/12/26/181401226.db2.gz PFVZMQIVJODWLA-UHFFFAOYSA-N 0 0 323.223 4.938 10 0 DJAERN Clc1ccc(-c2cncc(Br)c2)c(Cl)c1 ZINC000091365427 193045654 /nfs/dbraw/zinc/04/56/54/193045654.db2.gz VLYYTTHCHGJYNH-UHFFFAOYSA-N 0 0 302.986 4.818 10 0 DJAERN Nc1ccc(-c2ccc(NC(=O)OCc3ccccc3)cc2)cc1 ZINC000008699769 181573815 /nfs/dbraw/zinc/57/38/15/181573815.db2.gz FKLFBPJYDQERDZ-UHFFFAOYSA-N 0 0 318.376 4.685 10 0 DJAERN CCCC(=O)N(Cc1ccco1)c1nc2c(cccc2C)s1 ZINC000010527905 181673696 /nfs/dbraw/zinc/67/36/96/181673696.db2.gz QJFDCUCQCKIUGD-UHFFFAOYSA-N 0 0 314.410 4.531 10 0 DJAERN O=C(Oc1ccc(/C=C/c2ccncc2)cc1)c1ccccc1F ZINC000011858483 181711681 /nfs/dbraw/zinc/71/16/81/181711681.db2.gz DTLIAPQVINQAOL-AATRIKPKSA-N 0 0 319.335 4.610 10 0 DJAERN Cc1c(Cl)cccc1NC(=S)Nc1ccc(Cl)cn1 ZINC000013837940 181905596 /nfs/dbraw/zinc/90/55/96/181905596.db2.gz CDAVFZBLOXIIOM-UHFFFAOYSA-N 0 0 312.225 4.506 10 0 DJAERN C[C@@H]1C[C@@H](C)CN(C(=S)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000013827268 181903799 /nfs/dbraw/zinc/90/37/99/181903799.db2.gz CEPWESDWKPYISQ-NXEZZACHSA-N 0 0 317.285 4.668 10 0 DJAERN C[C@@H]1C[C@H](C)CN(C(=S)Nc2cc(Cl)ccc2Cl)C1 ZINC000013827264 181903911 /nfs/dbraw/zinc/90/39/11/181903911.db2.gz KZZXEWXOGAJMHX-AOOOYVTPSA-N 0 0 317.285 4.668 10 0 DJAERN C[C@@H]1C[C@@H](C)CN(C(=S)Nc2ccc(Cl)cc2Cl)C1 ZINC000013827252 181903966 /nfs/dbraw/zinc/90/39/66/181903966.db2.gz DJLCISWNLHVNME-NXEZZACHSA-N 0 0 317.285 4.668 10 0 DJAERN CCc1ccc([C@H](C)NC(=S)Nc2cc(C)cc(C)c2)cc1 ZINC000013931049 181910613 /nfs/dbraw/zinc/91/06/13/181910613.db2.gz OXUVZAFAEQXDCB-HNNXBMFYSA-N 0 0 312.482 4.913 10 0 DJAERN c1cc(C2N(c3ccccc3)CCN2c2ccccc2)cs1 ZINC000014014353 181919771 /nfs/dbraw/zinc/91/97/71/181919771.db2.gz CKXDUKGVUDEQPT-UHFFFAOYSA-N 0 0 306.434 4.774 10 0 DJAERN CC(C)c1ccc(OC(=O)c2ccccc2)c(Br)c1 ZINC000014777450 181970584 /nfs/dbraw/zinc/97/05/84/181970584.db2.gz ZVMGOJXPLRUOIM-UHFFFAOYSA-N 0 0 319.198 4.792 10 0 DJAERN CC(C)Oc1ccccc1C(=O)Oc1cccc2ccccc21 ZINC000014782962 181971007 /nfs/dbraw/zinc/97/10/07/181971007.db2.gz AGIBKBCFUWIPRQ-UHFFFAOYSA-N 0 0 306.361 4.846 10 0 DJAERN CC1(C)C=Cc2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O1 ZINC000014610053 181962200 /nfs/dbraw/zinc/96/22/00/181962200.db2.gz CHAAQDMHLLQJRO-UHFFFAOYSA-N 0 0 308.333 4.695 10 0 endogenous,in-man DJAERN Cc1cccc(-c2sc(=S)n3c2[nH]c(=O)c2ccccc23)c1 ZINC000015828625 182019251 /nfs/dbraw/zinc/01/92/51/182019251.db2.gz RZTAFJBGMMOVJQ-UHFFFAOYSA-N 0 0 324.430 4.547 10 0 DJAERN O=C(c1ccc(Cl)cc1)[C@H](c1ccccc1)c1ccccn1 ZINC000015782797 182016757 /nfs/dbraw/zinc/01/67/57/182016757.db2.gz KRJOBKAPNACGBY-GOSISDBHSA-N 0 0 307.780 4.750 10 0 DJAERN COc1cccc(/C=C/C(=O)Nc2c(Cl)cccc2Cl)c1 ZINC000016032376 182030467 /nfs/dbraw/zinc/03/04/67/182030467.db2.gz FZSHPNADYNESNV-CMDGGOBGSA-N 0 0 322.191 4.654 10 0 DJAERN CCOc1c(Cl)cc(C(=O)Nc2ccccc2)cc1Cl ZINC000018051134 182090296 /nfs/dbraw/zinc/09/02/96/182090296.db2.gz OOSSLDNPUFOLKO-UHFFFAOYSA-N 0 0 310.180 4.644 10 0 DJAERN COc1ccc(C(=O)Oc2cccc3ccccc32)cc1Cl ZINC000018052016 182090985 /nfs/dbraw/zinc/09/09/85/182090985.db2.gz XRYJJRITJVXJIQ-UHFFFAOYSA-N 0 0 312.752 4.721 10 0 DJAERN COc1ccccc1[C@H](C)Nc1ccc(C)cc1Br ZINC000019901602 182162575 /nfs/dbraw/zinc/16/25/75/182162575.db2.gz JUTDNTUSCDWRPN-LBPRGKRZSA-N 0 0 320.230 4.939 10 0 DJAERN COc1cccc([C@H](C)Nc2ccc(Br)cc2C)c1 ZINC000019905616 182163006 /nfs/dbraw/zinc/16/30/06/182163006.db2.gz MLZSWVLVFCLMQS-LBPRGKRZSA-N 0 0 320.230 4.939 10 0 DJAERN COc1ccc([C@@H](C)Nc2ccc(Br)cc2C)cc1 ZINC000019905611 182163025 /nfs/dbraw/zinc/16/30/25/182163025.db2.gz CZGHRFIDQVXUSL-GFCCVEGCSA-N 0 0 320.230 4.939 10 0 DJAERN COc1cccc([C@@H](C)Nc2ccc(Br)cc2C)c1 ZINC000019905615 182163064 /nfs/dbraw/zinc/16/30/64/182163064.db2.gz MLZSWVLVFCLMQS-GFCCVEGCSA-N 0 0 320.230 4.939 10 0 DJAERN C[C@@H](NCc1ccccc1Cl)c1ccccc1Br ZINC000019908232 182163102 /nfs/dbraw/zinc/16/31/02/182163102.db2.gz PNOAARZJZHCDAY-LLVKDONJSA-N 0 0 324.649 4.953 10 0 DJAERN COc1ccccc1[C@@H](C)Nc1ccccc1Br ZINC000019922605 182164377 /nfs/dbraw/zinc/16/43/77/182164377.db2.gz SDXRNBZSHUQZPH-LLVKDONJSA-N 0 0 306.203 4.631 10 0 DJAERN C[C@@H]1C[C@@H]1c1ccc(CNc2ccccc2Br)o1 ZINC000019922579 182164430 /nfs/dbraw/zinc/16/44/30/182164430.db2.gz BNKGCXUDUYVKME-PWSUYJOCSA-N 0 0 306.203 4.778 10 0 DJAERN C[C@H](Nc1ccccc1Br)c1cc(F)ccc1F ZINC000019922820 182164653 /nfs/dbraw/zinc/16/46/53/182164653.db2.gz IOBKDXJQTHEGJM-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN CC(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000019871485 182158813 /nfs/dbraw/zinc/15/88/13/182158813.db2.gz PTDRVCRDUNAIDE-UHFFFAOYSA-N 0 0 309.134 4.583 10 0 DJAERN C[C@H](Nc1cc(F)cc(F)c1)c1ccc(Br)cc1 ZINC000019961782 182170941 /nfs/dbraw/zinc/17/09/41/182170941.db2.gz NSGUJZVKTUEREH-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN C[C@@H](Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000019985901 182173776 /nfs/dbraw/zinc/17/37/76/182173776.db2.gz BOSISZUDHVCIDO-SNVBAGLBSA-N 0 0 324.207 4.938 10 0 DJAERN Cc1cc(F)ccc1NCc1cc(F)ccc1Br ZINC000020015418 182178564 /nfs/dbraw/zinc/17/85/64/182178564.db2.gz AYNWVAHRGLSQGI-UHFFFAOYSA-N 0 0 312.157 4.648 10 0 DJAERN CC[C@@H](Nc1cc(OC)c(Cl)cc1OC)c1ccccc1 ZINC000020014386 182178576 /nfs/dbraw/zinc/17/85/76/182178576.db2.gz PKMGCWVGYUPMNC-CQSZACIVSA-N 0 0 305.805 4.920 10 0 DJAERN Brc1ccc(CNc2ccc3[nH]ccc3c2)cc1 ZINC000020132226 182190685 /nfs/dbraw/zinc/19/06/85/182190685.db2.gz RYQOUPTVYVEHGO-UHFFFAOYSA-N 0 0 301.187 4.543 10 0 DJAERN CCc1cc2c(ncnc2Nc2ccccc2OC(C)C)s1 ZINC000020161594 182194092 /nfs/dbraw/zinc/19/40/92/182194092.db2.gz VUOOXDKZAKFGJV-UHFFFAOYSA-N 0 0 313.426 4.785 10 0 DJAERN CC(=O)c1c(F)cccc1Oc1ccc(C)cc1Br ZINC000020077934 182185375 /nfs/dbraw/zinc/18/53/75/182185375.db2.gz HUZOQAOFOALVBP-UHFFFAOYSA-N 0 0 323.161 4.892 10 0 DJAERN N=C1c2ccccc2CN1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000020255101 182200084 /nfs/dbraw/zinc/20/00/84/182200084.db2.gz XDZFNVJYRQOEFA-UHFFFAOYSA-N 0 0 310.706 4.704 10 0 DJAERN Fc1ccc(Nc2c(F)c(F)c(F)c(F)c2F)cc1Cl ZINC000020298822 182203976 /nfs/dbraw/zinc/20/39/76/182203976.db2.gz HGNKBZIJDLCSCX-UHFFFAOYSA-N 0 0 311.612 4.918 10 0 DJAERN COc1cc(Nc2nc3ccccc3s2)c(OC)cc1Cl ZINC000020305736 182205123 /nfs/dbraw/zinc/20/51/23/182205123.db2.gz CRGFISSJEXXLLE-UHFFFAOYSA-N 0 0 320.801 4.711 10 0 DJAERN C[C@@H]1C[C@@H]1c1ccc(CNc2ccc(F)cc2Br)o1 ZINC000020430568 182216625 /nfs/dbraw/zinc/21/66/25/182216625.db2.gz QBOVSKGXLFBVTN-SKDRFNHKSA-N 0 0 324.193 4.917 10 0 DJAERN CC(C)c1ccc(Nc2ccc(Br)cc2N)cc1 ZINC000020585305 182235995 /nfs/dbraw/zinc/23/59/95/182235995.db2.gz CQKYPCGZLGMUHJ-UHFFFAOYSA-N 0 0 305.219 4.898 10 0 DJAERN COc1ccc(CNc2cc(Cl)ccc2Cl)cc1OC ZINC000021045482 182263471 /nfs/dbraw/zinc/26/34/71/182263471.db2.gz JNNOZXCSKUYFGF-UHFFFAOYSA-N 0 0 312.196 4.623 10 0 DJAERN Cc1ccc(C2=Nc3ccccc3N=C(c3cccs3)N2)o1 ZINC000021169674 182268605 /nfs/dbraw/zinc/26/86/05/182268605.db2.gz ORCQBUSXARTMFR-UHFFFAOYSA-N 0 0 307.378 4.600 10 0 DJAERN CC(C)=CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000022897036 182339848 /nfs/dbraw/zinc/33/98/48/182339848.db2.gz SUUIIHKDLIDGBP-UHFFFAOYSA-N 0 0 306.818 4.677 10 0 DJAERN COC(=O)c1c(O)cccc1/C=C/c1ccc(Cl)cc1Cl ZINC000035973650 182790810 /nfs/dbraw/zinc/79/08/10/182790810.db2.gz PCUNTLSXCBOBGX-AATRIKPKSA-N 0 0 323.175 4.656 10 0 DJAERN C[C@@H](Nc1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000036751289 182840836 /nfs/dbraw/zinc/84/08/36/182840836.db2.gz JWDRKONSMUKYBG-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN CC(C)c1ccc(OCc2ccc(N)cc2Br)cc1 ZINC000037516081 182902808 /nfs/dbraw/zinc/90/28/08/182902808.db2.gz RUWCNVFRYCQXCF-UHFFFAOYSA-N 0 0 320.230 4.734 10 0 DJAERN O[C@H](Cc1cccc(Cl)c1)Cc1ccc(Cl)cc1Cl ZINC000037532775 182904846 /nfs/dbraw/zinc/90/48/46/182904846.db2.gz YFBUTQCSSJDQEK-CQSZACIVSA-N 0 0 315.627 4.793 10 0 DJAERN C[C@H]1CCCC[C@H]1OCC(=O)c1cc(Cl)ccc1Cl ZINC000037652307 182917788 /nfs/dbraw/zinc/91/77/88/182917788.db2.gz MEFYHEDGPINOLI-ZUZCIYMTSA-N 0 0 301.213 4.771 10 0 DJAERN Nc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)n1 ZINC000038069204 182985696 /nfs/dbraw/zinc/98/56/96/182985696.db2.gz IVPLTYUCCYIULG-UHFFFAOYSA-N 0 0 307.995 4.944 10 0 DJAERN Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1 ZINC000038538315 183001713 /nfs/dbraw/zinc/00/17/13/183001713.db2.gz UHIHPRCEHZQZCL-UHFFFAOYSA-N 0 0 302.299 4.867 10 0 DJAERN Cc1c2nc(NCC3CCCCC3)sc2c(C)c(O)c1C ZINC000039127724 183013980 /nfs/dbraw/zinc/01/39/80/183013980.db2.gz BBPANXWCIYGRRB-UHFFFAOYSA-N 0 0 304.459 4.919 10 0 DJAERN Cc1ccc(C(=O)Oc2ccc(Cl)c3cccnc23)c(C)c1 ZINC000040165889 183042921 /nfs/dbraw/zinc/04/29/21/183042921.db2.gz FWNLGLBAFQRFPX-UHFFFAOYSA-N 0 0 311.768 4.724 10 0 DJAERN Cc1nc2ccccc2n1CCCCOc1ccccc1Cl ZINC000040224728 183047046 /nfs/dbraw/zinc/04/70/46/183047046.db2.gz IKHFCFHTMMGIRZ-UHFFFAOYSA-N 0 0 314.816 4.857 10 0 DJAERN COc1ccc(Cn2c3ccccc3nc2-c2cccs2)cc1 ZINC000040239105 183048700 /nfs/dbraw/zinc/04/87/00/183048700.db2.gz UVQWFXPASJQQSW-UHFFFAOYSA-N 0 0 320.417 4.822 10 0 DJAERN Fc1ccc(Cn2c(/C=C/c3ccco3)nc3ccccc32)cc1 ZINC000040238639 183048869 /nfs/dbraw/zinc/04/88/69/183048869.db2.gz CJFPCNUCCCROHM-VAWYXSNFSA-N 0 0 318.351 4.987 10 0 DJAERN Cc1cc(Cl)cn2cc(-c3ccc(Br)cc3)nc12 ZINC000040383803 183059446 /nfs/dbraw/zinc/05/94/46/183059446.db2.gz QGLMPKMMSGYPSL-UHFFFAOYSA-N 0 0 321.605 4.726 10 0 DJAERN Cc1ccc(-c2nc3ccccc3n2Cc2ccco2)c(C)c1 ZINC000040390308 183059839 /nfs/dbraw/zinc/05/98/39/183059839.db2.gz BGYDXPCXVKLERW-UHFFFAOYSA-N 0 0 302.377 4.961 10 0 DJAERN CCOCCn1c2ccc(Cl)cc2nc1-c1ccc(C)cc1 ZINC000040405155 183062422 /nfs/dbraw/zinc/06/24/22/183062422.db2.gz QHATYWPDFUTKNB-UHFFFAOYSA-N 0 0 314.816 4.702 10 0 DJAERN CCn1c2cc(Cl)ccc2nc1Cc1ccc(Cl)cc1 ZINC000040417198 183063400 /nfs/dbraw/zinc/06/34/00/183063400.db2.gz AURAVKUFNBTSRU-UHFFFAOYSA-N 0 0 305.208 4.954 10 0 DJAERN Cc1ncc(CN[C@H](C)c2c(Cl)ccc(F)c2Cl)s1 ZINC000040443787 183067481 /nfs/dbraw/zinc/06/74/81/183067481.db2.gz LKWOVXOZNGCAOY-SSDOTTSWSA-N 0 0 319.232 4.748 10 0 DJAERN Cc1ccc(Oc2ncnc(Nc3cc(C)ccc3C)c2N)cc1 ZINC000040704644 183121252 /nfs/dbraw/zinc/12/12/52/183121252.db2.gz UFCHOBCLZYRTCM-UHFFFAOYSA-N 0 0 320.396 4.520 10 0 DJAERN CC(C)c1ccc(Nc2ncnc(Oc3ccccc3)c2N)cc1 ZINC000040706254 183121280 /nfs/dbraw/zinc/12/12/80/183121280.db2.gz MOVRUUBKFDCDAF-UHFFFAOYSA-N 0 0 320.396 4.718 10 0 DJAERN CC(C)c1ccc(Nc2ncnc(Nc3ccccc3)c2N)cc1 ZINC000040706143 183121159 /nfs/dbraw/zinc/12/11/59/183121159.db2.gz YAGSMYBPLCOTGY-UHFFFAOYSA-N 0 0 319.412 4.669 10 0 DJAERN COc1ccc2c(c1)sc1nc(-c3ccc(C)cc3)c(C)n21 ZINC000040964267 183152002 /nfs/dbraw/zinc/15/20/02/183152002.db2.gz AVDKBBSMLCLUAF-UHFFFAOYSA-N 0 0 308.406 4.841 10 0 DJAERN COc1ccc2c(c1)sc1nc(-c3ccc(C)cc3C)cn21 ZINC000040964834 183152311 /nfs/dbraw/zinc/15/23/11/183152311.db2.gz GKBRBLAMZKNOBR-UHFFFAOYSA-N 0 0 308.406 4.841 10 0 DJAERN COc1cccc2sc3nc(-c4ccc(C)cc4C)cn3c21 ZINC000040964859 183152320 /nfs/dbraw/zinc/15/23/20/183152320.db2.gz NPXLHXFFLYAVIN-UHFFFAOYSA-N 0 0 308.406 4.841 10 0 DJAERN CCCSc1nn2cc(-c3ccc(C)cc3C)nc2s1 ZINC000040965233 183152331 /nfs/dbraw/zinc/15/23/31/183152331.db2.gz MDGYBNQDRHMBTA-UHFFFAOYSA-N 0 0 303.456 4.577 10 0 DJAERN Fc1ccc(-c2nn3cc(Cl)ccc3c2-c2ccncc2)cc1 ZINC000040977415 183154534 /nfs/dbraw/zinc/15/45/34/183154534.db2.gz LPZJIMZWMCUUIA-UHFFFAOYSA-N 0 0 323.758 4.856 10 0 DJAERN O=C(/C=C/c1ccccc1)Nc1ccnc2c(Cl)cccc12 ZINC000041057489 183160224 /nfs/dbraw/zinc/16/02/24/183160224.db2.gz FXEJHEGXLDGDFN-MDZDMXLPSA-N 0 0 308.768 4.540 10 0 DJAERN O=C(/C=C/c1ccccc1)Nc1ccnc2cc(Cl)ccc21 ZINC000041057725 183160967 /nfs/dbraw/zinc/16/09/67/183160967.db2.gz RTOSBQIVPJSYLT-RMKNXTFCSA-N 0 0 308.768 4.540 10 0 DJAERN Cc1ccc2c(NC(=O)c3cccc(Cl)c3)ccnc2c1C ZINC000041057975 183161014 /nfs/dbraw/zinc/16/10/14/183161014.db2.gz NETACMFCCDPGLU-UHFFFAOYSA-N 0 0 310.784 4.757 10 0 DJAERN CN(Cc1ccccc1)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000040868189 183144631 /nfs/dbraw/zinc/14/46/31/183144631.db2.gz FOSICRJFLYKZCT-CSKARUKUSA-N 0 0 320.219 4.665 10 0 DJAERN Cc1cc(C)c(C[C@@H](CO)Cc2cccc(Cl)c2)c(C)c1 ZINC000041516748 183196801 /nfs/dbraw/zinc/19/68/01/183196801.db2.gz YFWQVBYOLCBCDE-KRWDZBQOSA-N 0 0 302.845 4.659 10 0 DJAERN Clc1ccc(-c2nc3ccc(Br)cc3o2)cc1 ZINC000041569906 183204789 /nfs/dbraw/zinc/20/47/89/183204789.db2.gz YYJLJQGMTMFZTK-UHFFFAOYSA-N 0 0 308.562 4.911 10 0 DJAERN Fc1ccc(NCCOc2ccc(Cl)cc2)cc1Cl ZINC000041570656 183205231 /nfs/dbraw/zinc/20/52/31/183205231.db2.gz MGJMKJBMLRIMAX-UHFFFAOYSA-N 0 0 300.160 4.623 10 0 DJAERN CCc1cccc(C)c1NCc1ccc(Br)cc1 ZINC000041578644 183206128 /nfs/dbraw/zinc/20/61/28/183206128.db2.gz OTIGKCBNVZPQPH-UHFFFAOYSA-N 0 0 304.231 4.932 10 0 DJAERN O=C(c1ccc(Cl)c(Cl)c1)c1nccc2ccccc21 ZINC000042922442 183318326 /nfs/dbraw/zinc/31/83/26/183318326.db2.gz WUCSOEHBEKAPCG-UHFFFAOYSA-N 0 0 302.160 4.773 10 0 DJAERN Cc1ccc(SCc2sccc2Br)c(N)c1 ZINC000043675780 183379405 /nfs/dbraw/zinc/37/94/05/183379405.db2.gz XHGLVSXRQZDJAE-UHFFFAOYSA-N 0 0 314.273 4.694 10 0 DJAERN Fc1ccc(Cn2c(Cc3cccs3)nc3ccccc32)cc1 ZINC000047131624 183581694 /nfs/dbraw/zinc/58/16/94/183581694.db2.gz OOOHBXPOQQHZLW-UHFFFAOYSA-N 0 0 322.408 4.876 10 0 DJAERN CCC(CC)NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000048979724 183700630 /nfs/dbraw/zinc/70/06/30/183700630.db2.gz RCOBYNPOOQSONO-SECBINFHSA-N 0 0 303.233 4.542 10 0 DJAERN O=C(Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000050518248 183788548 /nfs/dbraw/zinc/78/85/48/183788548.db2.gz WIHXYUNYVMGQFU-UHFFFAOYSA-N 0 0 304.720 4.846 10 0 DJAERN C[C@H]1CCC[C@H](C(=O)Cc2ccc(Br)cc2F)C1 ZINC000053780064 183912377 /nfs/dbraw/zinc/91/23/77/183912377.db2.gz XIDYLFZVFLJKPZ-JQWIXIFHSA-N 0 0 313.210 4.526 10 0 DJAERN Fc1ccc(Cl)cc1Nc1nc(Cl)c2c(n1)CCCC2 ZINC000057343483 184034328 /nfs/dbraw/zinc/03/43/28/184034328.db2.gz PABIBWRBOKXZSH-UHFFFAOYSA-N 0 0 312.175 4.545 10 0 DJAERN Cc1ccc(Oc2ccc([C@H](C)O)cc2Br)cc1 ZINC000061697384 184183800 /nfs/dbraw/zinc/18/38/00/184183800.db2.gz MRGNYQBCKCEHBL-NSHDSACASA-N 0 0 307.187 4.603 10 0 DJAERN Cc1cccc(N(C)c2ccc([C@H](C)O)cc2Br)c1 ZINC000061696974 184183989 /nfs/dbraw/zinc/18/39/89/184183989.db2.gz CZJPJKINXJMBTR-LBPRGKRZSA-N 0 0 320.230 4.579 10 0 DJAERN COc1ccc(-c2cc(O)cc(C(F)(F)F)c2)cc1Cl ZINC000065344309 184326183 /nfs/dbraw/zinc/32/61/83/184326183.db2.gz AJHOWQIYDIYRFF-UHFFFAOYSA-N 0 0 302.679 4.740 10 0 DJAERN C[NH+]1CCC(=C2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 ZINC000065739647 184377890 /nfs/dbraw/zinc/37/78/90/184377890.db2.gz UQPDCFDFUFTVEA-UHFFFAOYSA-N 0 0 322.839 4.746 10 0 in-vitro DJAERN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5S[C@@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000065748833 184378605 /nfs/dbraw/zinc/37/86/05/184378605.db2.gz UPLPHRJJTCUQAY-WIRWPRASSA-N 0 0 320.542 4.874 10 0 in-vitro DJAERN CCOc1cccc(NC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000071944007 184910864 /nfs/dbraw/zinc/91/08/64/184910864.db2.gz GKHRCQYUKXOYJT-LBPRGKRZSA-N 0 0 318.804 4.621 10 0 DJAERN C[C@@H](Nc1cccc(C(F)(F)F)n1)c1ccc(Cl)s1 ZINC000044271680 132159318 /nfs/dbraw/zinc/15/93/18/132159318.db2.gz ZXBURKSJGYTGDV-SSDOTTSWSA-N 0 0 306.740 4.988 10 0 DJAERN C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1cccs1 ZINC000035127938 331472847 /nfs/dbraw/zinc/47/28/47/331472847.db2.gz OMUSHNUOTLOTPJ-SSDOTTSWSA-N 0 0 306.740 4.988 10 0 DJAERN CCCC(CCC)C(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000123679398 332091511 /nfs/dbraw/zinc/09/15/11/332091511.db2.gz MQTYFQNDPZICRR-HNNXBMFYSA-N 0 0 322.518 4.628 10 0 DJAERN CC[C@H](NCc1csc(-c2ccccn2)n1)c1cccs1 ZINC000048417165 332303681 /nfs/dbraw/zinc/30/36/81/332303681.db2.gz SJIAAXSMBZQFNU-ZDUSSCGKSA-N 0 0 315.467 4.508 10 0 DJAERN C[C@@H](C(=O)N1CCC[C@@H]1c1ccco1)c1ccc2ccccc2c1 ZINC000177271686 332980098 /nfs/dbraw/zinc/98/00/98/332980098.db2.gz SNZLWFUNTYZMGD-DNVCBOLYSA-N 0 0 319.404 4.900 10 0 DJAERN CCC[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)CCO1 ZINC000182500475 335118832 /nfs/dbraw/zinc/11/88/32/335118832.db2.gz DQGBNQFUSMOSPN-ZYSHUDEJSA-N 0 0 317.473 4.583 10 0 DJAERN COc1ccc(F)c(N[C@@H]2CCSc3c(F)cccc32)c1 ZINC000094854479 335755312 /nfs/dbraw/zinc/75/53/12/335755312.db2.gz VBZBPDKYWBLBNB-CQSZACIVSA-N 0 0 307.365 4.622 10 0 DJAERN C[C@@H](NC(=O)N1CCC[C@H]1c1ccco1)c1cccc(Cl)c1 ZINC000116413474 335893575 /nfs/dbraw/zinc/89/35/75/335893575.db2.gz OFKBGQRKOIOICE-DOMZBBRYSA-N 0 0 318.804 4.541 10 0 DJAERN CN(C(=O)Nc1ccc(F)cc1C(F)(F)F)C1CCCCC1 ZINC000102799804 335930534 /nfs/dbraw/zinc/93/05/34/335930534.db2.gz CLCVWKVEEAOKFA-UHFFFAOYSA-N 0 0 318.314 4.641 10 0 DJAERN Cc1noc(C)c1C(C)(C)c1nc(C2C[C@@H](C)C[C@H](C)C2)no1 ZINC000329641697 336025624 /nfs/dbraw/zinc/02/56/24/336025624.db2.gz ZVQQGJRHASJYPW-QWRGUYRKSA-N 0 0 317.433 4.540 10 0 DJAERN Cc1noc(C)c1C(C)(C)c1nc(C2C[C@H](C)C[C@@H](C)C2)no1 ZINC000329641695 336025771 /nfs/dbraw/zinc/02/57/71/336025771.db2.gz ZVQQGJRHASJYPW-GHMZBOCLSA-N 0 0 317.433 4.540 10 0 DJAERN Cc1ccc([C@@H](C)NC(=O)c2cc(C(C)C)nc3ccccc32)o1 ZINC000104929901 336272468 /nfs/dbraw/zinc/27/24/68/336272468.db2.gz RUOFGDWSMRSPMM-CQSZACIVSA-N 0 0 322.408 4.751 10 0 DJAERN Cc1ccc([C@H]2C[C@H](C)CCN2c2ncnc3ccccc32)o1 ZINC000301465669 336308623 /nfs/dbraw/zinc/30/86/23/336308623.db2.gz XCRZRQDBRUGDOY-CXAGYDPISA-N 0 0 307.397 4.509 10 0 DJAERN FC(F)(F)c1cccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000301502104 336310874 /nfs/dbraw/zinc/31/08/74/336310874.db2.gz FJTWMGZFFXXJSM-RKDXNWHRSA-N 0 0 312.257 4.633 10 0 DJAERN FC(F)(F)c1ccnc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000301509282 336311321 /nfs/dbraw/zinc/31/13/21/336311321.db2.gz DQLURHSVQTWBPE-SCZZXKLOSA-N 0 0 312.257 4.633 10 0 DJAERN CC[C@H](Nc1nn2cc(C(C)(C)C)nc2s1)c1cccs1 ZINC000301529072 336312703 /nfs/dbraw/zinc/31/27/03/336312703.db2.gz GZVJHOOGJLUNAF-JTQLQIEISA-N 0 0 320.487 4.713 10 0 DJAERN CC(C)c1nsc(N[C@H](C)c2ccc(C(F)(F)F)cc2)n1 ZINC000301528989 336312755 /nfs/dbraw/zinc/31/27/55/336312755.db2.gz RACMLEIXKQYCBO-SECBINFHSA-N 0 0 315.364 4.853 10 0 DJAERN Cc1cnc([C@@H](C)Nc2ccc3c(Cl)ccnc3c2F)s1 ZINC000301531670 336312850 /nfs/dbraw/zinc/31/28/50/336312850.db2.gz HWVBNQLFLATBIJ-SECBINFHSA-N 0 0 321.808 4.965 10 0 DJAERN CC[C@H](Nc1cc(C)nc2c(OC)cccc12)c1ccncc1 ZINC000301685034 336323316 /nfs/dbraw/zinc/32/33/16/336323316.db2.gz UFTLPZJCXDZUSI-INIZCTEOSA-N 0 0 307.397 4.510 10 0 DJAERN C[C@H](Nc1nnc(C2CC2)s1)c1ccc(Cl)c(Cl)c1 ZINC000301740924 336326860 /nfs/dbraw/zinc/32/68/60/336326860.db2.gz UQTBFGFPEDTCIB-ZETCQYMHSA-N 0 0 314.241 4.895 10 0 DJAERN Cc1ccc([C@@H]2C[C@H](C)CCN2c2nc(C(C)C)ns2)o1 ZINC000301968714 336340397 /nfs/dbraw/zinc/34/03/97/336340397.db2.gz YWYZXXVNQQUUIE-YPMHNXCESA-N 0 0 305.447 4.541 10 0 DJAERN Fc1cc(F)c2nccc(NCCCCC(F)(F)F)c2c1 ZINC000302532329 336360995 /nfs/dbraw/zinc/36/09/95/336360995.db2.gz QSCDPVLRYIXLBK-UHFFFAOYSA-N 0 0 304.262 4.658 10 0 DJAERN C[C@@H]1CC(=O)Oc2cc(Oc3nc4ccccc4s3)ccc21 ZINC000302833630 336371389 /nfs/dbraw/zinc/37/13/89/336371389.db2.gz SOFGJVDECYMHKB-SNVBAGLBSA-N 0 0 311.362 4.501 10 0 DJAERN CSCc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116497191 336840738 /nfs/dbraw/zinc/84/07/38/336840738.db2.gz PLTSQVSYPGUXCT-OAHLLOKOSA-N 0 0 316.426 4.512 10 0 DJAERN COc1ccc([C@@H](C)Nc2cccc(-c3cnco3)c2)c(OC)c1 ZINC000193910140 337080460 /nfs/dbraw/zinc/08/04/60/337080460.db2.gz BDICBDQUGCKUBP-CYBMUJFWSA-N 0 0 324.380 4.532 10 0 DJAERN Cc1csc(C2CCN(C(=O)C3CCCCCCC3)CC2)n1 ZINC000172892611 337132106 /nfs/dbraw/zinc/13/21/06/337132106.db2.gz KWBJWPUOICYEBO-UHFFFAOYSA-N 0 0 320.502 4.518 10 0 DJAERN CCCCCC[C@@H](C)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000173512093 337136138 /nfs/dbraw/zinc/13/61/38/337136138.db2.gz JJPOWEROKWBRQK-CABCVRRESA-N 0 0 308.491 4.803 10 0 DJAERN C[C@H](c1ccco1)N(C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000173583168 337136664 /nfs/dbraw/zinc/13/66/64/337136664.db2.gz WCMFTYKRTSBICY-GFCCVEGCSA-N 0 0 316.788 4.781 10 0 DJAERN Cc1csc(C2CCN(C(=O)CC3CCCCCC3)CC2)n1 ZINC000176059417 337150257 /nfs/dbraw/zinc/15/02/57/337150257.db2.gz UTUKESOWAIBLDW-UHFFFAOYSA-N 0 0 320.502 4.518 10 0 DJAERN c1ccc([C@@H]([NH2+][C@H]2CCCc3ccccc32)c2cccnc2)cc1 ZINC000178612827 337165419 /nfs/dbraw/zinc/16/54/19/337165419.db2.gz UIBDAHIQKFRILK-FCHUYYIVSA-N 0 0 314.432 4.838 10 0 DJAERN Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)s1 ZINC000178606761 337165421 /nfs/dbraw/zinc/16/54/21/337165421.db2.gz CSOWYRYWIRZKPI-HNAYVOBHSA-N 0 0 308.450 4.892 10 0 DJAERN CCc1ccc([C@@H](C)N[C@@H](c2ccccc2)c2cccnc2)o1 ZINC000178615084 337165632 /nfs/dbraw/zinc/16/56/32/337165632.db2.gz GDLFCHZUPYTEBI-QRWLVFNGSA-N 0 0 306.409 4.677 10 0 DJAERN O=C1CCCc2cc(N[C@H](c3ccccc3)C3CC3)ccc2N1 ZINC000179816529 337171962 /nfs/dbraw/zinc/17/19/62/337171962.db2.gz NUJQHMOURFCSQG-HXUWFJFHSA-N 0 0 306.409 4.525 10 0 DJAERN CSCc1ccccc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000184823414 337200400 /nfs/dbraw/zinc/20/04/00/337200400.db2.gz NEDGRLJHICZJTO-HNNXBMFYSA-N 0 0 316.426 4.512 10 0 DJAERN CCC[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccccc1 ZINC000186050118 337253087 /nfs/dbraw/zinc/25/30/87/337253087.db2.gz IOFGVGCBCHMRJM-HXUWFJFHSA-N 0 0 317.436 4.775 10 0 DJAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1cc2ccccc2o1 ZINC000186529433 337257330 /nfs/dbraw/zinc/25/73/30/337257330.db2.gz HDJQGYOPOXQNTB-LBPRGKRZSA-N 0 0 321.380 4.583 10 0 DJAERN Cc1cccc2c1[C@H](C)C[C@@H]2Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186536973 337257363 /nfs/dbraw/zinc/25/73/63/337257363.db2.gz UVKPVUSUIHOSMA-ACJLOTCBSA-N 0 0 321.424 4.633 10 0 DJAERN C[C@H]1CC[C@@H](Nc2ccc3c(c2)CN(C)C(=O)N3)c2ccccc21 ZINC000186527792 337257406 /nfs/dbraw/zinc/25/74/06/337257406.db2.gz ZYFZZHRACREUMH-ORAYPTAESA-N 0 0 321.424 4.714 10 0 DJAERN CCCCC[C@H](C)CC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187026868 337261245 /nfs/dbraw/zinc/26/12/45/337261245.db2.gz FDLNBZYQLJTOHI-BBRMVZONSA-N 0 0 308.491 4.722 10 0 DJAERN CCOc1c(C=O)cc(C2CC2)c(-c2ccc(F)cc2F)c1F ZINC000584611976 337372249 /nfs/dbraw/zinc/37/22/49/337372249.db2.gz WZFSHPNBYWXEHZ-UHFFFAOYSA-N 0 0 320.310 4.860 10 0 DJAERN CC(=O)c1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)no1 ZINC000584613529 337372527 /nfs/dbraw/zinc/37/25/27/337372527.db2.gz PAZLTWJORXHFOR-UHFFFAOYSA-N 0 0 323.192 4.582 10 0 DJAERN COc1ccc(C)c(CC[C@@H]2CCC[C@@]3(C)[C@@H]2CC[C@@H]3O)c1 ZINC000584618244 337373261 /nfs/dbraw/zinc/37/32/61/337373261.db2.gz PNRGVYNNMSDGQS-LDTOTXGLSA-N 0 0 302.458 4.514 10 0 DJAERN Cc1ccc2c(cc(-c3cccnc3)n2C(=O)OC(C)(C)C)c1 ZINC000584618840 337373338 /nfs/dbraw/zinc/37/33/38/337373338.db2.gz SQSLCFXMUUAYRS-UHFFFAOYSA-N 0 0 308.381 4.795 10 0 DJAERN CCC[C@@H](Cc1nnc(-c2ccc(C=O)cc2)o1)c1ccccc1 ZINC000584592598 337373559 /nfs/dbraw/zinc/37/35/59/337373559.db2.gz RXSXSGIVFNWFGS-SFHVURJKSA-N 0 0 320.392 4.676 10 0 DJAERN C/C=C/COc1c(CCC)cc(C(=O)OCC)cc1CCC ZINC000584597781 337374475 /nfs/dbraw/zinc/37/44/75/337374475.db2.gz KOPXJYFBPUPOMU-WEVVVXLNSA-N 0 0 304.430 4.723 10 0 DJAERN CSc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cc1 ZINC000584620952 337374850 /nfs/dbraw/zinc/37/48/50/337374850.db2.gz WWJVAYLMJFMPLK-OAHLLOKOSA-N 0 0 307.459 4.871 10 0 DJAERN CSc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1 ZINC000584620951 337374870 /nfs/dbraw/zinc/37/48/70/337374870.db2.gz WWJVAYLMJFMPLK-HNNXBMFYSA-N 0 0 307.459 4.871 10 0 DJAERN N#CNc1cc(Br)ccc1Sc1ccc(F)cc1 ZINC000584623223 337375194 /nfs/dbraw/zinc/37/51/94/337375194.db2.gz AVGROHFBKDFXBE-UHFFFAOYSA-N 0 0 323.190 4.632 10 0 DJAERN CCCCCCOC(=O)[C@@H](C)c1ccc2cc(O)ccc2c1 ZINC000584626068 337375935 /nfs/dbraw/zinc/37/59/35/337375935.db2.gz IKBUJBGMERVFCH-AWEZNQCLSA-N 0 0 300.398 4.772 10 0 DJAERN O=C(NC(c1ccccc1)c1ccccc1)C(F)=C(Cl)Cl ZINC000584627453 337376160 /nfs/dbraw/zinc/37/61/60/337376160.db2.gz WJNFUVHZVDAYNL-UHFFFAOYSA-N 0 0 324.182 4.508 10 0 DJAERN O[C@@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)c1ccccn1 ZINC000584629746 337376571 /nfs/dbraw/zinc/37/65/71/337376571.db2.gz QKAKZMXKFAUZAY-MOPGFXCFSA-N 0 0 309.796 4.601 10 0 DJAERN C[C@@H](C(=O)OC(C)(C)C)c1ccc(Br)cc1Cl ZINC000584655236 337377882 /nfs/dbraw/zinc/37/78/82/337377882.db2.gz FVDXFMLUKNADHQ-MRVPVSSYSA-N 0 0 319.626 4.548 10 0 DJAERN Clc1ccc([C@H]2c3ccccc3-c3nccn32)cc1Cl ZINC000584639045 337379687 /nfs/dbraw/zinc/37/96/87/337379687.db2.gz WTUCWHNAKUZGRB-HNNXBMFYSA-N 0 0 301.176 4.808 10 0 DJAERN CCCCC[C@H](O)/C=C\C=C/C/C=C/CCCCC(=O)OC ZINC000584639404 337379790 /nfs/dbraw/zinc/37/97/90/337379790.db2.gz CCNJIRFNUBWXEG-ADSOMONJSA-N 0 0 308.462 4.720 10 0 DJAERN CCSC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000584645590 337380329 /nfs/dbraw/zinc/38/03/29/337380329.db2.gz IOGBFGROAFHWCA-UHFFFAOYSA-N 0 0 302.239 4.618 10 0 DJAERN CSc1nc(-c2ccccc2)cn2c(-c3ccccc3)cnc12 ZINC000584653443 337381198 /nfs/dbraw/zinc/38/11/98/337381198.db2.gz NSKZHQJSIOXLHQ-UHFFFAOYSA-N 0 0 317.417 4.785 10 0 DJAERN O=C(Nc1cccc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000116406144 337392668 /nfs/dbraw/zinc/39/26/68/337392668.db2.gz KPYZRSDTEKMWQG-QGZVFWFLSA-N 0 0 306.365 4.802 10 0 DJAERN C[C@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)c1ccncc1 ZINC000035790633 337745603 /nfs/dbraw/zinc/74/56/03/337745603.db2.gz NSNXPKQRGWAIPE-UWVGGRQHSA-N 0 0 313.203 4.939 10 0 DJAERN Cc1ccc(NC(=O)N(Cc2ccco2)C2CCCC2)c(F)c1 ZINC000105349857 337806317 /nfs/dbraw/zinc/80/63/17/337806317.db2.gz MDLHKDSLVYKYAC-UHFFFAOYSA-N 0 0 316.376 4.704 10 0 DJAERN Cc1nc(CSCc2coc(-c3ccc(F)cc3)n2)cs1 ZINC000105629176 337808512 /nfs/dbraw/zinc/80/85/12/337808512.db2.gz PFPVUSHATHIMSQ-UHFFFAOYSA-N 0 0 320.414 4.679 10 0 DJAERN C[C@H](Nc1cccc(C(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000044271743 337808965 /nfs/dbraw/zinc/80/89/65/337808965.db2.gz QDLCDPZOPVKGMQ-VIFPVBQESA-N 0 0 300.711 4.927 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc(C)c2F)o1 ZINC000121218990 337888159 /nfs/dbraw/zinc/88/81/59/337888159.db2.gz VPUMWGMFGSCFIL-HNNXBMFYSA-N 0 0 316.376 4.795 10 0 DJAERN CC(C)c1nnc(CSC/C=C\c2ccc(Cl)cc2)n1C ZINC000468627174 339267371 /nfs/dbraw/zinc/26/73/71/339267371.db2.gz LKPGUHOHXLQXDE-PLNGDYQASA-N 0 0 321.877 4.539 10 0 DJAERN CCC[C@@H](C)CC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173967076 340378855 /nfs/dbraw/zinc/37/88/55/340378855.db2.gz OTQICEALMFKJIH-CABCVRRESA-N 0 0 322.518 4.799 10 0 DJAERN CCC(CC)(CC)CNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187170366 340518230 /nfs/dbraw/zinc/51/82/30/340518230.db2.gz FGUMIPJCNTZCDX-HNNXBMFYSA-N 0 0 323.506 4.514 10 0 DJAERN CSCc1ccc(N[C@@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000191476057 340554507 /nfs/dbraw/zinc/55/45/07/340554507.db2.gz QFKBQQGJMPTEON-ZDUSSCGKSA-N 0 0 317.502 4.983 10 0 DJAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)o1 ZINC000128360093 340877733 /nfs/dbraw/zinc/87/77/33/340877733.db2.gz LYKOQRQUVBFDME-ZFWWWQNUSA-N 0 0 317.454 4.761 10 0 DJAERN O=C(Nc1ccc2c(c1)CCCN2)c1cccc(Cl)c1Cl ZINC000071214743 341025866 /nfs/dbraw/zinc/02/58/66/341025866.db2.gz CRMZJYCTICOOQL-UHFFFAOYSA-N 0 0 321.207 4.604 10 0 DJAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)[C@H](C)c2ccccn2)cc1 ZINC000246997866 341359674 /nfs/dbraw/zinc/35/96/74/341359674.db2.gz SHYQHLPXZCNQQV-AYOQOUSVSA-N 0 0 322.452 4.528 10 0 DJAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(Oc3ccccc3)cc2)o1 ZINC000247876248 341370808 /nfs/dbraw/zinc/37/08/08/341370808.db2.gz ABAORQCKYGTCCW-OAHLLOKOSA-N 0 0 321.376 4.871 10 0 DJAERN CC[C@H](C)[C@@H](C)C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000248534965 341379306 /nfs/dbraw/zinc/37/93/06/341379306.db2.gz GIGPUNBTPYCPPK-RRFJBIMHSA-N 0 0 322.518 4.655 10 0 DJAERN C[C@H](SCc1nnc(C2CC2)n1C)c1ccc2ccccc2c1 ZINC000091029026 341421353 /nfs/dbraw/zinc/42/13/53/341421353.db2.gz RSDDSGCEXRXNFE-ZDUSSCGKSA-N 0 0 323.465 4.840 10 0 DJAERN Cc1ccc([C@H](C)N[C@@H](C)c2cc(C)ccc2OC(F)F)o1 ZINC000158101551 341651437 /nfs/dbraw/zinc/65/14/37/341651437.db2.gz URESJTXNMILIQT-STQMWFEESA-N 0 0 309.356 4.910 10 0 DJAERN Cc1ccc([C@H](C)N[C@H](C)c2cc(C)ccc2OC(F)F)o1 ZINC000158101409 341651532 /nfs/dbraw/zinc/65/15/32/341651532.db2.gz URESJTXNMILIQT-OLZOCXBDSA-N 0 0 309.356 4.910 10 0 DJAERN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000189218952 519841283 /nfs/dbraw/zinc/84/12/83/519841283.db2.gz ZXMJJMZQXCEFQB-PBHICJAKSA-N 0 0 303.446 4.687 10 0 DJAERN CC(C)n1c2ccccc2nc1SCc1nc2ccccc2[nH]1 ZINC000057326669 519927454 /nfs/dbraw/zinc/92/74/54/519927454.db2.gz JMHHOOJTQQOBNN-UHFFFAOYSA-N 0 0 322.437 4.786 10 0 DJAERN CC[C@@H](N[C@@H](c1nc(C2CC2)no1)C(C)C)c1cccc(F)c1 ZINC000188198942 522922852 /nfs/dbraw/zinc/92/28/52/522922852.db2.gz BKHBZJCCZDSGMI-HZPDHXFCSA-N 0 0 317.408 4.524 10 0 DJAERN CC(=O)c1ccc(Oc2cc(Cl)nc(C3CC3)n2)c(Cl)c1 ZINC000120387685 534871291 /nfs/dbraw/zinc/87/12/91/534871291.db2.gz QTTIXESAEJZFCC-UHFFFAOYSA-N 0 0 323.179 4.656 10 0 DJAERN CC(=O)c1ccc(Oc2ncnc3c(C)cccc23)c(Cl)c1 ZINC000120371933 534872394 /nfs/dbraw/zinc/87/23/94/534872394.db2.gz FEEHJTUHQXRINO-UHFFFAOYSA-N 0 0 312.756 4.587 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cc(F)ccc2F)o1 ZINC000153358898 525800176 /nfs/dbraw/zinc/80/01/76/525800176.db2.gz YARDFFYRJMXMCL-HNNXBMFYSA-N 0 0 320.339 4.625 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2cccc3[nH]ccc32)o1 ZINC000159050724 525993193 /nfs/dbraw/zinc/99/31/93/525993193.db2.gz KJZWCQYLMXHIOM-QGZVFWFLSA-N 0 0 323.396 4.828 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)c2cccs2)o1 ZINC000127536428 525993834 /nfs/dbraw/zinc/99/38/34/525993834.db2.gz QRINRYQEOLINLI-UONOGXRCSA-N 0 0 303.427 4.507 10 0 DJAERN Cc1ccc([S@](=O)[C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000156990060 526094119 /nfs/dbraw/zinc/09/41/19/526094119.db2.gz QJEWBKDWOKBCCA-PEBXRYMYSA-N 0 0 311.406 4.519 10 0 DJAERN Fc1cccc(CSCc2cc(F)cc3cccnc32)c1 ZINC000105960882 526389016 /nfs/dbraw/zinc/38/90/16/526389016.db2.gz NCQLQJZTEPMUKS-UHFFFAOYSA-N 0 0 301.361 4.946 10 0 DJAERN Cc1nc([C@@H]2CCCN2Cc2nc(C(C)(C)C)cs2)cs1 ZINC000189825529 527051343 /nfs/dbraw/zinc/05/13/43/527051343.db2.gz GSDNMBICTRSJKR-ZDUSSCGKSA-N 0 0 321.515 4.543 10 0 DJAERN CC(c1nnc([C@H]2CCO[C@@H]2c2ccccc2)o1)=C1CCCC1 ZINC000299745090 528748700 /nfs/dbraw/zinc/74/87/00/528748700.db2.gz WBTGCEZIJHIVGS-DLBZAZTESA-N 0 0 310.397 4.662 10 0 DJAERN CCCCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960421 563961362 /nfs/dbraw/zinc/96/13/62/563961362.db2.gz KHLQJHQJINWDGV-UHFFFAOYSA-N 0 0 319.445 4.573 10 0 DJAERN Cc1cccc(C)c1OC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001096745 563277297 /nfs/dbraw/zinc/27/72/97/563277297.db2.gz RPLSRDVMHWGAON-UHFFFAOYSA-N 0 0 309.287 4.933 10 0 DJAERN Cc1cccc(CSCCCSCc2cccc(C)n2)n1 ZINC000005659692 563330601 /nfs/dbraw/zinc/33/06/01/563330601.db2.gz HMYDTLQKYBGFRM-UHFFFAOYSA-N 0 0 318.511 4.650 10 0 DJAERN CCc1nc2cc(-c3noc(/C=C/c4cccs4)n3)ccc2o1 ZINC000065149801 563399565 /nfs/dbraw/zinc/39/95/65/563399565.db2.gz JKWKWBIIRNWTAC-SOFGYWHQSA-N 0 0 323.377 4.672 10 0 DJAERN CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000014768470 563403108 /nfs/dbraw/zinc/40/31/08/563403108.db2.gz NORGIWDZGWMMGU-ABSDTBQOSA-N 0 0 302.458 4.517 10 0 biogenic,in-vitro DJAERN Cc1sc(-c2cc(Cl)cnc2F)cc1Br ZINC000725241343 563524646 /nfs/dbraw/zinc/52/46/46/563524646.db2.gz MVKZXIJBWPYECV-UHFFFAOYSA-N 0 0 306.587 4.674 10 0 DJAERN Cc1cccc(-c2cc(Cl)cnc2F)c1Br ZINC000725241376 563524660 /nfs/dbraw/zinc/52/46/60/563524660.db2.gz PGMZVIWWHPYUHR-UHFFFAOYSA-N 0 0 300.558 4.612 10 0 DJAERN CC(C)[C@H]1CCc2[nH]nc(-c3cccc(Br)c3)c2C1 ZINC000725265506 563571617 /nfs/dbraw/zinc/57/16/17/563571617.db2.gz IZFICJSHBQAZDR-NSHDSACASA-N 0 0 319.246 4.600 10 0 DJAERN Oc1cc2c(Br)cccc2nc1C1CCCCC1 ZINC000725267469 563573982 /nfs/dbraw/zinc/57/39/82/563573982.db2.gz JEMBLHSYMKLYKC-UHFFFAOYSA-N 0 0 306.203 4.751 10 0 DJAERN COc1ccc(Nc2[nH]c(=S)nc3ccccc32)cc1Cl ZINC000000425534 563613212 /nfs/dbraw/zinc/61/32/12/563613212.db2.gz ZIDZMWIWJKQCCZ-UHFFFAOYSA-N 0 0 317.801 4.698 10 0 DJAERN Cc1ccccc1-c1c2ccccc2c(=O)n(C)c1C(C)(C)C ZINC000048533548 563698612 /nfs/dbraw/zinc/69/86/12/563698612.db2.gz XKBUNLZXKFSVFF-UHFFFAOYSA-N 0 0 305.421 4.811 10 0 DJAERN COc1ccccc1-c1nc2cccc(C)n2c1NC(C)(C)C ZINC000035701977 563878770 /nfs/dbraw/zinc/87/87/70/563878770.db2.gz XHQWWWKOFSIBGW-UHFFFAOYSA-N 0 0 309.413 4.529 10 0 DJAERN CCOC(=O)c1c(CC)c2ccc(Cl)cc2nc1C1CC1 ZINC000536954465 563889791 /nfs/dbraw/zinc/88/97/91/563889791.db2.gz UYNDIGBTSQBCNU-UHFFFAOYSA-N 0 0 303.789 4.505 10 0 DJAERN O=c1[nH]cc(-c2cc(Cl)cc(Cl)c2)cc1C(F)(F)F ZINC000616452562 563961654 /nfs/dbraw/zinc/96/16/54/563961654.db2.gz KDOKPERXELBNPM-UHFFFAOYSA-N 0 0 308.086 4.780 10 0 DJAERN Cc1cccc(C)c1Nc1ncc(-c2cccs2)n2cncc12 ZINC000028641754 581093036 /nfs/dbraw/zinc/09/30/36/581093036.db2.gz DUXVIKPKWVMTAK-UHFFFAOYSA-N 0 0 320.421 4.818 10 0 DJAERN Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1Br ZINC000083161568 185215002 /nfs/dbraw/zinc/21/50/02/185215002.db2.gz UPAIUBZPTNBOOC-UHFFFAOYSA-N 0 0 303.199 4.605 10 0 DJAERN CCCN(CCc1cccs1)c1ccc2c(c1)CCC[C@H]2O ZINC000083330993 185222300 /nfs/dbraw/zinc/22/23/00/185222300.db2.gz GKBVFDBRRVPDGI-LJQANCHMSA-N 0 0 315.482 4.577 10 0 DJAERN C[C@@H]1N=C(c2cnc3ccccc3c2)c2cccc(F)c2[C@@H]1C ZINC000090400214 185294368 /nfs/dbraw/zinc/29/43/68/185294368.db2.gz INJFTAYADQUFCT-OLZOCXBDSA-N 0 0 304.368 4.717 10 0 DJAERN c1cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)ccn1 ZINC000090583838 185305040 /nfs/dbraw/zinc/30/50/40/185305040.db2.gz ZMQLKBAJUGKDDO-UHFFFAOYSA-N 0 0 309.372 4.873 10 0 DJAERN Fc1oc(-c2ccc(Br)cc2)cc1C(F)(F)F ZINC000090549485 185302241 /nfs/dbraw/zinc/30/22/41/185302241.db2.gz OYOURJKUWUWGQQ-UHFFFAOYSA-N 0 0 309.056 4.867 10 0 DJAERN C(=C/CCO[C@H]1CCCCO1)\CCCCOCc1ccccc1 ZINC000090628498 185307418 /nfs/dbraw/zinc/30/74/18/185307418.db2.gz HTDBWZWDAYAUBW-WLMDGNKMSA-N 0 0 318.457 4.863 10 0 DJAERN O=C(COc1ccc(Cl)c(Cl)c1)c1ccccc1Cl ZINC000070132077 190861340 /nfs/dbraw/zinc/86/13/40/190861340.db2.gz ZIQGOJOZKJWRHC-UHFFFAOYSA-N 0 0 315.583 4.909 10 0 DJAERN CCc1cc(OCC(=O)c2ccc(Cl)s2)ccc1Cl ZINC000070131530 190861594 /nfs/dbraw/zinc/86/15/94/190861594.db2.gz ZVIHFXQEDJUTFA-UHFFFAOYSA-N 0 0 315.221 4.879 10 0 DJAERN COc1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1 ZINC000072443568 191168549 /nfs/dbraw/zinc/16/85/49/191168549.db2.gz GUINEDBDAVIMKJ-UHFFFAOYSA-N 0 0 311.772 4.549 10 0 DJAERN CCc1nn2c(nccc2-c2ccco2)c1-c1ccc(Cl)cc1 ZINC000072451668 191171631 /nfs/dbraw/zinc/17/16/31/191171631.db2.gz ZSGHBLRDDKPEOJ-UHFFFAOYSA-N 0 0 323.783 4.872 10 0 DJAERN Cc1nn2c(ncc3c2CCCCC3)c1-c1ccc(Cl)cc1 ZINC000072451691 191171677 /nfs/dbraw/zinc/17/16/77/191171677.db2.gz NAJLACKPAVAEHK-UHFFFAOYSA-N 0 0 311.816 4.627 10 0 DJAERN Cc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1C ZINC000000149471 180709205 /nfs/dbraw/zinc/70/92/05/180709205.db2.gz KOTLCVJZQFWARG-UHFFFAOYSA-N 0 0 322.433 4.608 10 0 DJAERN COc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1Cl ZINC000001927197 180902986 /nfs/dbraw/zinc/90/29/86/180902986.db2.gz YMVBNKFHONUXAH-VMPITWQZSA-N 0 0 322.191 4.654 10 0 DJAERN CC(C)(C)c1csc(NC(=O)c2cccc3ccccc32)n1 ZINC000003141710 180984662 /nfs/dbraw/zinc/98/46/62/180984662.db2.gz WRSNNXZUNNBXTH-UHFFFAOYSA-N 0 0 310.422 4.846 10 0 DJAERN CCCCCCc1c(O)c2cccc3c4c(n(c32)c1=O)CCCC4 ZINC000003956983 181059792 /nfs/dbraw/zinc/05/97/92/181059792.db2.gz QLCVGBDWQAABET-UHFFFAOYSA-N 0 0 323.436 4.598 10 0 DJAERN Cc1ccc(C)c2sc(NC(=O)/C=C/c3cccs3)nc21 ZINC000004264308 181089286 /nfs/dbraw/zinc/08/92/86/181089286.db2.gz MTXATPBMURUBFF-BQYQJAHWSA-N 0 0 314.435 4.627 10 0 DJAERN Cc1cc(Cl)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000004330739 181098547 /nfs/dbraw/zinc/09/85/47/181098547.db2.gz XSTZGGQXICYGBU-UHFFFAOYSA-N 0 0 302.786 4.510 10 0 DJAERN O=C(Nc1nc2c(cccc2F)s1)c1cccc2ccccc21 ZINC000004331593 181099610 /nfs/dbraw/zinc/09/96/10/181099610.db2.gz BBUFFVCABCTXCP-UHFFFAOYSA-N 0 0 322.364 4.841 10 0 DJAERN O[C@H](c1cccc2ccccc21)[C@@H](O)c1ccc2ccccc2c1 ZINC000004978271 181182713 /nfs/dbraw/zinc/18/27/13/181182713.db2.gz RSFIBRKJSPSKFZ-FCHUYYIVSA-N 0 0 314.384 4.760 10 0 DJAERN COc1ccc(-c2csc3ncnc(SC(C)C)c23)cc1 ZINC000005414321 181240618 /nfs/dbraw/zinc/24/06/18/181240618.db2.gz TVCWOPGTVFRYTB-UHFFFAOYSA-N 0 0 316.451 4.867 10 0 DJAERN Cc1ccc(CC(=O)Nc2nc3cc(C)c(C)cc3s2)c(C)c1 ZINC000005268233 181225070 /nfs/dbraw/zinc/22/50/70/181225070.db2.gz GVVTYQUNMBINRN-UHFFFAOYSA-N 0 0 324.449 4.711 10 0 DJAERN CCCOc1ccc(-c2csc3[nH]cnc(=S)c23)cc1 ZINC000005414353 181240711 /nfs/dbraw/zinc/24/07/11/181240711.db2.gz ZZJDNVXVWNFVBN-UHFFFAOYSA-N 0 0 302.424 4.810 10 0 DJAERN CCCCn1c2ccccc2n2cc(-c3ccc(OC)cc3)nc21 ZINC000005285315 181226247 /nfs/dbraw/zinc/22/62/47/181226247.db2.gz UDBIWFBBGKQIGA-UHFFFAOYSA-N 0 0 319.408 4.765 10 0 DJAERN CC(C)N(C(=O)OCc1coc(Cc2ccccc2)c1)C(C)C ZINC000005454791 181245552 /nfs/dbraw/zinc/24/55/52/181245552.db2.gz ZYYMTCLWBZQTJY-UHFFFAOYSA-N 0 0 315.413 4.626 10 0 DJAERN O=C(c1ccccc1)[C@H](Cc1ccccc1O)c1ccccc1 ZINC000005487041 181249275 /nfs/dbraw/zinc/24/92/75/181249275.db2.gz XNUAQSKVHBJCGD-LJQANCHMSA-N 0 0 302.373 4.601 10 0 DJAERN Cc1ccc(Nc2nnc(Cl)c3ccccc32)cc1Cl ZINC000005747108 181280369 /nfs/dbraw/zinc/28/03/69/181280369.db2.gz ZXVIHADGLLIBCD-UHFFFAOYSA-N 0 0 304.180 4.989 10 0 DJAERN O=C(Nc1ccc(F)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000005890597 181293726 /nfs/dbraw/zinc/29/37/26/181293726.db2.gz NJVOCGJBXVHIFC-UHFFFAOYSA-N 0 0 307.796 4.634 10 0 DJAERN Oc1ccccc1CCC(c1ccccc1O)c1ccccc1O ZINC000006095289 181312033 /nfs/dbraw/zinc/31/20/33/181312033.db2.gz CQOZJDNCADWEKH-UHFFFAOYSA-N 0 0 320.388 4.568 10 0 DJAERN C[C@H]1C[C@H](C)CN(C(=O)/C=C/c2ccc(Cl)cc2Cl)C1 ZINC000006253772 181323215 /nfs/dbraw/zinc/32/32/15/181323215.db2.gz ZKZMYBFVDNNPOF-JZYUNNQISA-N 0 0 312.240 4.511 10 0 DJAERN O=c1cc(C(F)(F)F)c2c(o1)/C(=C/c1ccccc1)CCC2 ZINC000199791581 201426114 /nfs/dbraw/zinc/42/61/14/201426114.db2.gz JTQDFUHFWWWJKV-FMIVXFBMSA-N 0 0 306.283 4.536 10 0 DJAERN Cc1ccc2oc(-c3cccc(NC(=O)C4CCC4)c3)nc2c1 ZINC000006766158 181385155 /nfs/dbraw/zinc/38/51/55/181385155.db2.gz ZYUKJBHPDFZPDB-UHFFFAOYSA-N 0 0 306.365 4.542 10 0 DJAERN COc1ccc(NC(=O)c2oc3cc(C)c(C)cc3c2C)cc1 ZINC000006826288 181395445 /nfs/dbraw/zinc/39/54/45/181395445.db2.gz SBVGEMBEBLLGCQ-UHFFFAOYSA-N 0 0 309.365 4.619 10 0 DJAERN Cc1cc(Br)cc(C)c1CC(Cl)(Cl)Cl ZINC000091366351 193048096 /nfs/dbraw/zinc/04/80/96/193048096.db2.gz GTHKJQCUTPBJST-UHFFFAOYSA-N 0 0 316.453 4.979 10 0 DJAERN C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccccc1C(C)(C)C ZINC000007529605 181473387 /nfs/dbraw/zinc/47/33/87/181473387.db2.gz DBMXXDRSRYBODO-ZFWWWQNUSA-N 0 0 304.503 4.849 10 0 DJAERN CC(C)c1ccc(O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000008108501 181526903 /nfs/dbraw/zinc/52/69/03/181526903.db2.gz TWUKDXYMGLDSIO-CYBMUJFWSA-N 0 0 317.816 4.869 10 0 DJAERN CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000009867574 181644499 /nfs/dbraw/zinc/64/44/99/181644499.db2.gz AXFQBQWYFGQHBR-HZPDHXFCSA-N 0 0 311.425 4.915 10 0 DJAERN CC(C)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000012063520 181725770 /nfs/dbraw/zinc/72/57/70/181725770.db2.gz CBXFCCMRWWHFHI-UHFFFAOYSA-N 0 0 302.443 4.939 10 0 DJAERN Cc1cc(Cl)cc2sc(NC(=O)C3CCCCC3)nc21 ZINC000012063169 181725835 /nfs/dbraw/zinc/72/58/35/181725835.db2.gz JPRYAOTWSVKHEW-UHFFFAOYSA-N 0 0 308.834 4.777 10 0 DJAERN C[C@H](NC(=O)c1ccc(F)cc1Cl)c1cccc(Cl)c1 ZINC000016018281 182029148 /nfs/dbraw/zinc/02/91/48/182029148.db2.gz YZQNTABAYPBBJM-VIFPVBQESA-N 0 0 312.171 4.624 10 0 DJAERN CCOc1ccc(CC(=O)Nc2ccccc2[C@H](C)CC)cc1 ZINC000015964391 182026471 /nfs/dbraw/zinc/02/64/71/182026471.db2.gz QMMGWFLRFMZIDO-OAHLLOKOSA-N 0 0 311.425 4.780 10 0 DJAERN C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1cccc(Cl)c1 ZINC000017908673 182087598 /nfs/dbraw/zinc/08/75/98/182087598.db2.gz CNNPITYSGVZLDY-SECBINFHSA-N 0 0 312.171 4.624 10 0 DJAERN Cc1ccc(O)c(C(=O)Nc2c(Cl)ccc(C)c2Cl)c1 ZINC000019232883 182110017 /nfs/dbraw/zinc/11/00/17/182110017.db2.gz VTBBKYPSGBSOTI-UHFFFAOYSA-N 0 0 310.180 4.568 10 0 DJAERN CCCCC1CCC(C(=O)Nc2ccc(Cl)cc2N)CC1 ZINC000019232234 182110498 /nfs/dbraw/zinc/11/04/98/182110498.db2.gz AZQDEEKKARMPJM-UHFFFAOYSA-N 0 0 308.853 4.857 10 0 DJAERN Clc1ccc(Cl)c(NCc2ccc(Br)o2)c1 ZINC000019900476 182161969 /nfs/dbraw/zinc/16/19/69/182161969.db2.gz ONLHWQMIJWPWQG-UHFFFAOYSA-N 0 0 321.001 4.961 10 0 DJAERN FC(F)(F)c1cccc(NCc2ccc(Br)o2)c1 ZINC000019905252 182162306 /nfs/dbraw/zinc/16/23/06/182162306.db2.gz NLZRNYWXZLGXOF-UHFFFAOYSA-N 0 0 320.108 4.673 10 0 DJAERN C[C@@H](Nc1ccc(Br)cc1F)c1cccc(F)c1 ZINC000019908051 182162972 /nfs/dbraw/zinc/16/29/72/182162972.db2.gz JUDWROCBNXBLDX-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN Cc1cc(Br)ccc1N[C@H]1CCOc2ccccc21 ZINC000019905659 182163130 /nfs/dbraw/zinc/16/31/30/182163130.db2.gz GAXVBHZBTLSWTF-HNNXBMFYSA-N 0 0 318.214 4.693 10 0 DJAERN C[C@@H](Nc1ccccc1Br)c1cc(F)ccc1F ZINC000019922818 182164457 /nfs/dbraw/zinc/16/44/57/182164457.db2.gz IOBKDXJQTHEGJM-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN COc1ccc(C)cc1N[C@H](C)c1cccc(Br)c1 ZINC000019914346 182164647 /nfs/dbraw/zinc/16/46/47/182164647.db2.gz DYDXLYHOEKKWLN-GFCCVEGCSA-N 0 0 320.230 4.939 10 0 DJAERN CC[C@@H](Nc1ccc(Br)cc1)c1ccc(O)cc1 ZINC000019923146 182165018 /nfs/dbraw/zinc/16/50/18/182165018.db2.gz HDDQOCUYZNUQOK-OAHLLOKOSA-N 0 0 306.203 4.718 10 0 DJAERN Cc1cccc(C)c1Nc1ncnc2sc3c(c21)CCCC3 ZINC000019958127 182170213 /nfs/dbraw/zinc/17/02/13/182170213.db2.gz DJLIIGZAXJHNCO-UHFFFAOYSA-N 0 0 309.438 4.931 10 0 DJAERN C[C@H](Nc1cc(F)cc(F)c1)c1cccc(Br)c1 ZINC000019961797 182170629 /nfs/dbraw/zinc/17/06/29/182170629.db2.gz ROQFAUKCUQHUIW-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN COc1ccc([C@@H](C)Nc2cc(Cl)ccc2C)cc1OC ZINC000019984755 182173612 /nfs/dbraw/zinc/17/36/12/182173612.db2.gz UVZWANCXBLQFSE-GFCCVEGCSA-N 0 0 305.805 4.839 10 0 DJAERN Cc1ccc(Sc2ccc(Br)cc2N)cc1C ZINC000020014671 182178473 /nfs/dbraw/zinc/17/84/73/182178473.db2.gz YBYCJSVOXARNLD-UHFFFAOYSA-N 0 0 308.244 4.799 10 0 DJAERN Nc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000020017144 182178906 /nfs/dbraw/zinc/17/89/06/182178906.db2.gz SWSZKYACMSYTOU-UHFFFAOYSA-N 0 0 302.588 4.808 10 0 DJAERN C[C@@H](CCc1ccccc1)Nc1ccc(Br)cc1 ZINC000020008175 182176983 /nfs/dbraw/zinc/17/69/83/182176983.db2.gz MWYOHQJKJYRIJS-ZDUSSCGKSA-N 0 0 304.231 4.882 10 0 DJAERN Cc1cc(Cl)ccc1NCc1ccc(Br)o1 ZINC000020095168 182186084 /nfs/dbraw/zinc/18/60/84/182186084.db2.gz FRGCBOBZUBTMCK-UHFFFAOYSA-N 0 0 300.583 4.616 10 0 DJAERN Cc1c2ccccc2oc1C(=O)c1ccc(Br)cc1 ZINC000020298885 182203918 /nfs/dbraw/zinc/20/39/18/182203918.db2.gz MFZMPRRCXQKZCC-UHFFFAOYSA-N 0 0 315.166 4.735 10 0 DJAERN CC(C)c1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000020302985 182204468 /nfs/dbraw/zinc/20/44/68/182204468.db2.gz OGCUJGFCCZOTDH-UHFFFAOYSA-N 0 0 302.805 4.514 10 0 DJAERN Nc1nc(-c2cccc(OCc3cccc(Cl)c3)c2)cs1 ZINC000020331186 182208379 /nfs/dbraw/zinc/20/83/79/182208379.db2.gz BJKJOUKUINYSED-UHFFFAOYSA-N 0 0 316.813 4.625 10 0 DJAERN Nc1nc(-c2cccc(OCc3ccccc3Cl)c2)cs1 ZINC000020331169 182208497 /nfs/dbraw/zinc/20/84/97/182208497.db2.gz LCLHHESJHPEZCJ-UHFFFAOYSA-N 0 0 316.813 4.625 10 0 DJAERN Fc1ccc(CNc2cccc(Cl)c2)cc1Br ZINC000020551170 182230124 /nfs/dbraw/zinc/23/01/24/182230124.db2.gz PUXWPLDIEVVQIH-UHFFFAOYSA-N 0 0 314.585 4.854 10 0 DJAERN CCOc1ccc([C@@H](N)c2cc3cc(Cl)ccc3o2)cc1 ZINC000020592832 182235839 /nfs/dbraw/zinc/23/58/39/182235839.db2.gz WWTRUNDQOQPRJS-QGZVFWFLSA-N 0 0 301.773 4.533 10 0 DJAERN Nc1cc(Br)ccc1Nc1ccc(F)c(Cl)c1 ZINC000020585836 182236015 /nfs/dbraw/zinc/23/60/15/182236015.db2.gz JRIFZFDTLNRXLW-UHFFFAOYSA-N 0 0 315.573 4.567 10 0 DJAERN CCOc1cc(CNc2cc(Cl)ccc2Cl)ccc1O ZINC000021515939 182277155 /nfs/dbraw/zinc/27/71/55/182277155.db2.gz HCHIZPLYQKCFQN-UHFFFAOYSA-N 0 0 312.196 4.710 10 0 DJAERN Cc1nn(C)c(C)c1CNc1cc(Cl)c(Cl)cc1Cl ZINC000021801420 182290422 /nfs/dbraw/zinc/29/04/22/182290422.db2.gz VOGGMAGKZOKGFP-UHFFFAOYSA-N 0 0 318.635 4.609 10 0 DJAERN FC(F)(F)c1cccc(-c2cncc(Br)c2)c1 ZINC000021982194 182301346 /nfs/dbraw/zinc/30/13/46/182301346.db2.gz DRZSCTXKJONHCK-UHFFFAOYSA-N 0 0 302.093 4.530 10 0 DJAERN CC(C)c1ccc(-c2csc(NC(=O)C3CCC3)n2)cc1 ZINC000022865762 182338750 /nfs/dbraw/zinc/33/87/50/182338750.db2.gz CENNHEHHBFNEBW-UHFFFAOYSA-N 0 0 300.427 4.672 10 0 DJAERN C[C@H](NC(=O)CC1CCCCC1)c1ccccc1Br ZINC000023525698 182363244 /nfs/dbraw/zinc/36/32/44/182363244.db2.gz BGCCOLSTYRKGQH-LBPRGKRZSA-N 0 0 324.262 4.597 10 0 DJAERN C[C@@H](NC(=O)CCc1ccccc1Cl)c1cccc(Cl)c1 ZINC000023654231 182365469 /nfs/dbraw/zinc/36/54/69/182365469.db2.gz RVLOTXIYIULGDX-GFCCVEGCSA-N 0 0 322.235 4.803 10 0 DJAERN C=COC(=O)OCCCOc1ccc(Oc2ccccc2)cc1 ZINC000026380690 182439213 /nfs/dbraw/zinc/43/92/13/182439213.db2.gz UJTNAQXUONVFIA-UHFFFAOYSA-N 0 0 314.337 4.545 10 0 DJAERN Fc1ccc(Nc2ncnc3sc4c(c32)CCC4)cc1Cl ZINC000028165816 182509965 /nfs/dbraw/zinc/50/99/65/182509965.db2.gz FFXDUNXBUSAYRA-UHFFFAOYSA-N 0 0 319.792 4.716 10 0 DJAERN CNc1cccc(C(OC)(c2ccccc2)c2ccccc2)c1 ZINC000098180292 193791365 /nfs/dbraw/zinc/79/13/65/193791365.db2.gz PLWZGULKEYLWAG-UHFFFAOYSA-N 0 0 303.405 4.667 10 0 DJAERN CC1(C)CC(=O)c2ccc(-c3cc4ccc(O)cc4o3)cc2O1 ZINC000100059585 193793319 /nfs/dbraw/zinc/79/33/19/193793319.db2.gz LFIYYSYXHXXLAH-UHFFFAOYSA-N 0 0 308.333 4.875 10 0 DJAERN CCCCCCOc1cc(N)c(N)cc1OCCCCCC ZINC000035977992 182790961 /nfs/dbraw/zinc/79/09/61/182790961.db2.gz PDCFFOMPXMEPOT-UHFFFAOYSA-N 0 0 308.466 4.769 10 0 DJAERN C[C@H](CNc1cc(Br)ccc1F)c1ccccc1 ZINC000036750713 182840913 /nfs/dbraw/zinc/84/09/13/182840913.db2.gz TWPYTQVWJUMTJY-LLVKDONJSA-N 0 0 308.194 4.804 10 0 DJAERN C[C@H](Nc1cc(Br)ccc1F)c1cccc(F)c1 ZINC000036750892 182840929 /nfs/dbraw/zinc/84/09/29/182840929.db2.gz VGKBZYZIYJTGIT-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN CCCN(CCC)c1cc(Oc2ccc(F)c(Cl)c2)ncn1 ZINC000037377184 182884422 /nfs/dbraw/zinc/88/44/22/182884422.db2.gz ZQAUFGPUPPSYMW-UHFFFAOYSA-N 0 0 323.799 4.688 10 0 DJAERN CCc1ccc([C@H](C)Nc2ccc(Br)cn2)cc1 ZINC000038012782 182963698 /nfs/dbraw/zinc/96/36/98/182963698.db2.gz XHSANDVOCMWBNC-NSHDSACASA-N 0 0 305.219 4.580 10 0 DJAERN Cc1c2ccccc2oc1[C@H](N)c1ccc(Br)s1 ZINC000038002198 182958830 /nfs/dbraw/zinc/95/88/30/182958830.db2.gz NCHDIUWLIQMPKF-CYBMUJFWSA-N 0 0 322.227 4.613 10 0 DJAERN CC(C)c1ccccc1S(=O)(=O)c1ccccc1C(C)C ZINC000038881480 183011840 /nfs/dbraw/zinc/01/18/40/183011840.db2.gz UMVYDYXTJDWYMF-UHFFFAOYSA-N 0 0 302.439 4.766 10 0 DJAERN COc1cccc2c(C)cc(SCc3ccc(F)cc3)nc12 ZINC000040167381 183043475 /nfs/dbraw/zinc/04/34/75/183043475.db2.gz SLNYKCQGZHKODH-UHFFFAOYSA-N 0 0 313.397 4.983 10 0 DJAERN COc1cccc2c(C)cc(SCCc3ccccc3)nc12 ZINC000040167371 183043794 /nfs/dbraw/zinc/04/37/94/183043794.db2.gz FGDSQFCGNMFJJD-UHFFFAOYSA-N 0 0 309.434 4.887 10 0 DJAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1ccccc1F ZINC000040178706 183044110 /nfs/dbraw/zinc/04/41/10/183044110.db2.gz WOZQOXXEDSATBB-UHFFFAOYSA-N 0 0 309.340 4.955 10 0 DJAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(F)cc1 ZINC000040178813 183044427 /nfs/dbraw/zinc/04/44/27/183044427.db2.gz QFDCVIVIIXPKJH-UHFFFAOYSA-N 0 0 313.303 4.786 10 0 DJAERN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NC1CCCC1 ZINC000040179361 183044990 /nfs/dbraw/zinc/04/49/90/183044990.db2.gz IRJRTOSSIOYKTF-UHFFFAOYSA-N 0 0 303.789 4.581 10 0 DJAERN Cc1nc2ccccc2n1CCCOc1ccc(Cl)c(C)c1 ZINC000040224689 183046770 /nfs/dbraw/zinc/04/67/70/183046770.db2.gz LOJOXZBKLRNIQI-UHFFFAOYSA-N 0 0 314.816 4.776 10 0 DJAERN CCc1ccc(OCCCn2cnc3cc(C)c(C)cc32)cc1 ZINC000040224105 183046787 /nfs/dbraw/zinc/04/67/87/183046787.db2.gz NQKNFFCKKVLGKV-UHFFFAOYSA-N 0 0 308.425 4.685 10 0 DJAERN Cc1cccc(OCCCn2cnc3cc(C)c(C)cc32)c1C ZINC000040224067 183046957 /nfs/dbraw/zinc/04/69/57/183046957.db2.gz IOHMYILMEYESBS-UHFFFAOYSA-N 0 0 308.425 4.739 10 0 DJAERN CC(C)c1nc2ccccc2n1CCOc1ccccc1Cl ZINC000040231256 183047881 /nfs/dbraw/zinc/04/78/81/183047881.db2.gz UMMIDEPTHJKSFX-UHFFFAOYSA-N 0 0 314.816 4.892 10 0 DJAERN Cc1ccccc1OCCCn1c2ccccc2nc1C(C)C ZINC000040231277 183047883 /nfs/dbraw/zinc/04/78/83/183047883.db2.gz DEZJAFLJBAIKTG-UHFFFAOYSA-N 0 0 308.425 4.937 10 0 DJAERN CCc1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1 ZINC000040227365 183048136 /nfs/dbraw/zinc/04/81/36/183048136.db2.gz ODZLHZGPJLFWDP-UHFFFAOYSA-N 0 0 314.816 4.640 10 0 DJAERN CC(C)c1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1 ZINC000040231410 183048441 /nfs/dbraw/zinc/04/84/41/183048441.db2.gz ZOHYAJADSBKXRN-UHFFFAOYSA-N 0 0 312.800 4.696 10 0 DJAERN Cc1ccc(OCCn2c3ccccc3nc2C2CC2)cc1C ZINC000040231654 183048703 /nfs/dbraw/zinc/04/87/03/183048703.db2.gz PIJDNVDKYJSJIT-UHFFFAOYSA-N 0 0 306.409 4.610 10 0 DJAERN Cc1ccc(O[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)c(N)c1 ZINC000040354317 183056147 /nfs/dbraw/zinc/05/61/47/183056147.db2.gz XADZMJRQDINVHX-CQSZACIVSA-N 0 0 311.425 4.525 10 0 DJAERN Cc1c(Cl)ccc2c(NC(=O)c3ccc(F)cc3)ccnc12 ZINC000040359181 183056218 /nfs/dbraw/zinc/05/62/18/183056218.db2.gz GADHMQJFSOKXLW-UHFFFAOYSA-N 0 0 314.747 4.588 10 0 DJAERN Cc1c(Cl)ccc2c(NC(=O)c3cccs3)ccnc12 ZINC000040359165 183056303 /nfs/dbraw/zinc/05/63/03/183056303.db2.gz VDCLNKHLCVUFGW-UHFFFAOYSA-N 0 0 302.786 4.510 10 0 DJAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)c(N)c1 ZINC000040354315 183056344 /nfs/dbraw/zinc/05/63/44/183056344.db2.gz XADZMJRQDINVHX-AWEZNQCLSA-N 0 0 311.425 4.525 10 0 DJAERN COCCCn1c2cc(Cl)ccc2nc1-c1ccccc1C ZINC000040402841 183061354 /nfs/dbraw/zinc/06/13/54/183061354.db2.gz GJBBQQZOIIGAFX-UHFFFAOYSA-N 0 0 314.816 4.702 10 0 DJAERN CCOCCn1c2cc(Cl)ccc2nc1-c1ccc(C)cc1 ZINC000040405152 183062453 /nfs/dbraw/zinc/06/24/53/183062453.db2.gz YTOSOIYKRWHGQU-UHFFFAOYSA-N 0 0 314.816 4.702 10 0 DJAERN Clc1ccc2c(c1)nc(Cc1ccccc1)n2Cc1ccco1 ZINC000040409872 183062925 /nfs/dbraw/zinc/06/29/25/183062925.db2.gz BNILNSZFGSBYEE-UHFFFAOYSA-N 0 0 322.795 4.922 10 0 DJAERN CCn1c(COc2ccc(C)cc2C)nc2cc(Cl)ccc21 ZINC000040417237 183063815 /nfs/dbraw/zinc/06/38/15/183063815.db2.gz INMPOAZJTAZMBI-UHFFFAOYSA-N 0 0 314.816 4.905 10 0 DJAERN FC(F)(F)c1cccc(Nc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000040836225 183140106 /nfs/dbraw/zinc/14/01/06/183140106.db2.gz HZLJCQJNRBJTQI-UHFFFAOYSA-N 0 0 311.694 4.979 10 0 DJAERN COc1cccc2sc3nc(-c4ccc(C)c(C)c4)cn3c21 ZINC000040964679 183152067 /nfs/dbraw/zinc/15/20/67/183152067.db2.gz CBFZVGQOIYOWJZ-UHFFFAOYSA-N 0 0 308.406 4.841 10 0 DJAERN CCCSc1nn2cc(-c3ccc(C)c(C)c3)nc2s1 ZINC000040965218 183152175 /nfs/dbraw/zinc/15/21/75/183152175.db2.gz XMUDZSZTGIDGPP-UHFFFAOYSA-N 0 0 303.456 4.577 10 0 DJAERN CCCSc1nn2c(C)c(-c3ccc(C)cc3)nc2s1 ZINC000040965177 183152442 /nfs/dbraw/zinc/15/24/42/183152442.db2.gz JPRXQTGXHRHYAM-UHFFFAOYSA-N 0 0 303.456 4.577 10 0 DJAERN CCCCOc1ccc2nc(NC(=O)CCCC)sc2c1 ZINC000040966582 183153086 /nfs/dbraw/zinc/15/30/86/183153086.db2.gz RLOZAJRZXYWOLM-UHFFFAOYSA-N 0 0 306.431 4.604 10 0 DJAERN COc1ccc2sc(C(=O)NC3CCCCC3)c(Cl)c2c1 ZINC000041007620 183155686 /nfs/dbraw/zinc/15/56/86/183155686.db2.gz GQPXYRXHAYYZKX-UHFFFAOYSA-N 0 0 323.845 4.626 10 0 DJAERN c1c(-c2ccc3c(c2)CCCC3)nc2sc3c(n12)CCCC3 ZINC000041005655 183155976 /nfs/dbraw/zinc/15/59/76/183155976.db2.gz QIIZWPIUBSLHJX-UHFFFAOYSA-N 0 0 308.450 4.820 10 0 DJAERN Cc1cc(C)c2nccc(NC(=O)c3ccc(Cl)cc3)c2c1 ZINC000041057056 183159956 /nfs/dbraw/zinc/15/99/56/183159956.db2.gz BDZYCKMLMBUDAZ-UHFFFAOYSA-N 0 0 310.784 4.757 10 0 DJAERN O=C(Nc1ccnc2c(Cl)cccc12)c1ccc(Cl)cc1 ZINC000041057528 183161020 /nfs/dbraw/zinc/16/10/20/183161020.db2.gz OYXMUPZTQMLDFQ-UHFFFAOYSA-N 0 0 317.175 4.794 10 0 DJAERN Cc1cc(C)c(C[C@H](CO)Cc2ccccc2Cl)c(C)c1 ZINC000041516742 183196393 /nfs/dbraw/zinc/19/63/93/183196393.db2.gz ZHVXUJSXICWZDU-MRXNPFEDSA-N 0 0 302.845 4.659 10 0 DJAERN Cc1cc(C)c(C[C@H](CO)Cc2ccc(Cl)cc2)c(C)c1 ZINC000041516750 183196840 /nfs/dbraw/zinc/19/68/40/183196840.db2.gz NRJAZVQYAOXQCC-QGZVFWFLSA-N 0 0 302.845 4.659 10 0 DJAERN Cc1cc(C)c(COc2ccc(Br)cc2)c(C)c1 ZINC000041531994 183199127 /nfs/dbraw/zinc/19/91/27/183199127.db2.gz CPLGSQWIICHLGE-UHFFFAOYSA-N 0 0 305.215 4.953 10 0 DJAERN Cc1ccc(C[C@H](CO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000041543095 183201223 /nfs/dbraw/zinc/20/12/23/183201223.db2.gz BNMJTDMWURXMGW-HNNXBMFYSA-N 0 0 309.236 4.696 10 0 DJAERN Cc1ccccc1C[C@H](CO)Cc1ccc(Cl)c(Cl)c1 ZINC000041543084 183201346 /nfs/dbraw/zinc/20/13/46/183201346.db2.gz VDSONEFNGJJHOW-CQSZACIVSA-N 0 0 309.236 4.696 10 0 DJAERN Cc1ccccc1C[C@@H](CO)Cc1ccc(Cl)cc1Cl ZINC000041543069 183201358 /nfs/dbraw/zinc/20/13/58/183201358.db2.gz LFSTYHMWUGWROM-CYBMUJFWSA-N 0 0 309.236 4.696 10 0 DJAERN Nc1n[nH]c(-c2cccs2)c1-c1ccc(Cl)c(Cl)c1 ZINC000041544725 183201378 /nfs/dbraw/zinc/20/13/78/183201378.db2.gz VFMTXSOXFGECSH-UHFFFAOYSA-N 0 0 310.209 4.694 10 0 DJAERN OC[C@@H](Cc1cccc(F)c1)Cc1ccc(Cl)cc1Cl ZINC000041564673 183202688 /nfs/dbraw/zinc/20/26/88/183202688.db2.gz AKVPIVGNTITEIR-LBPRGKRZSA-N 0 0 313.199 4.526 10 0 DJAERN OC[C@@H](Cc1cccc(F)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000041564691 183202993 /nfs/dbraw/zinc/20/29/93/183202993.db2.gz YPCRKSWAANLNOB-ZDUSSCGKSA-N 0 0 313.199 4.526 10 0 DJAERN Clc1cc(Cl)c2ncc(Br)c(Cl)c2c1 ZINC000041702481 183217932 /nfs/dbraw/zinc/21/79/32/183217932.db2.gz PJWSQZJXGWXDBF-UHFFFAOYSA-N 0 0 311.393 4.958 10 0 DJAERN Brc1ccc2cc(Oc3ccncc3)ccc2c1 ZINC000042477746 183274516 /nfs/dbraw/zinc/27/45/16/183274516.db2.gz BVAJYPONYGHFQB-UHFFFAOYSA-N 0 0 300.155 4.790 10 0 DJAERN CC(C)C[C@H](C)N(C)CC(=O)c1cc(Cl)sc1Cl ZINC000042586575 183288125 /nfs/dbraw/zinc/28/81/25/183288125.db2.gz SJPWJCSBFDQNAL-VIFPVBQESA-N 0 0 308.274 4.604 10 0 DJAERN O=C(c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2n1 ZINC000043064055 183333555 /nfs/dbraw/zinc/33/35/55/183333555.db2.gz AZOFDVUIHSRINF-UHFFFAOYSA-N 0 0 302.160 4.773 10 0 DJAERN COc1ccc(SCc2cc(Br)cs2)cc1 ZINC000043687749 183380844 /nfs/dbraw/zinc/38/08/44/183380844.db2.gz FIGYDOVVLRYNKS-UHFFFAOYSA-N 0 0 315.257 4.812 10 0 DJAERN Clc1ccccc1COCc1cc(Br)cs1 ZINC000043687552 183381170 /nfs/dbraw/zinc/38/11/70/183381170.db2.gz SFMQOJXREKIQRM-UHFFFAOYSA-N 0 0 317.635 4.881 10 0 DJAERN FC(F)(F)c1cccc(-c2cccc(Br)n2)c1 ZINC000044120203 183394694 /nfs/dbraw/zinc/39/46/94/183394694.db2.gz PDZLRCAIJKFHCY-UHFFFAOYSA-N 0 0 302.093 4.530 10 0 DJAERN O=C(Nc1cccc2[nH]ccc21)N(Cc1ccco1)C1CCCC1 ZINC000105355519 194100180 /nfs/dbraw/zinc/10/01/80/194100180.db2.gz UMXKYBZPSLFPNC-UHFFFAOYSA-N 0 0 323.396 4.738 10 0 DJAERN O=C1CCCc2nc(Cc3c(Cl)cccc3Cl)sc21 ZINC000050329729 183782364 /nfs/dbraw/zinc/78/23/64/183782364.db2.gz FTOZSYNVWCBIQJ-UHFFFAOYSA-N 0 0 312.221 4.560 10 0 DJAERN O[C@H](c1ccc(Br)cc1)[C@@H]1CCCc2ccccc21 ZINC000054669385 183948059 /nfs/dbraw/zinc/94/80/59/183948059.db2.gz BAJHAXCGNVKMGX-IAGOWNOFSA-N 0 0 317.226 4.603 10 0 DJAERN Clc1nc(Nc2cccc3c2CCCC3)nc2c1CCCC2 ZINC000057345717 184034376 /nfs/dbraw/zinc/03/43/76/184034376.db2.gz PGIGGRLUYDLFRF-UHFFFAOYSA-N 0 0 313.832 4.631 10 0 DJAERN CC(C)Sc1nnc(CCc2ccccc2)n1-c1ccccc1 ZINC000059047598 184133919 /nfs/dbraw/zinc/13/39/19/184133919.db2.gz LUFZCMSGCMCLOB-UHFFFAOYSA-N 0 0 323.465 4.553 10 0 DJAERN Nc1ccc(N[C@H]2CCCc3sccc32)c(Br)c1 ZINC000061360870 184169173 /nfs/dbraw/zinc/16/91/73/184169173.db2.gz LPYNKDJNEIOIGO-LBPRGKRZSA-N 0 0 323.259 4.582 10 0 DJAERN CNc1cc(C(F)F)nc2c(Cl)cc(Br)cc12 ZINC000061629595 184179603 /nfs/dbraw/zinc/17/96/03/184179603.db2.gz MMUDENRUQNBABM-UHFFFAOYSA-N 0 0 321.552 4.630 10 0 DJAERN Nc1ccc(Cl)c(CSc2cc(Cl)ccc2Cl)n1 ZINC000061640607 184180545 /nfs/dbraw/zinc/18/05/45/184180545.db2.gz KGYRJEXFKNFIKB-UHFFFAOYSA-N 0 0 319.644 4.916 10 0 DJAERN CC(=O)c1ccc(N(C)c2cccc(F)c2)c(Br)c1 ZINC000061694295 184183294 /nfs/dbraw/zinc/18/32/94/184183294.db2.gz BUMGXBMMFJIXFY-UHFFFAOYSA-N 0 0 322.177 4.559 10 0 DJAERN Cc1cccc(Oc2ccc([C@H](C)O)cc2Br)c1 ZINC000061697586 184183982 /nfs/dbraw/zinc/18/39/82/184183982.db2.gz TWEDPQHSVLDKGX-NSHDSACASA-N 0 0 307.187 4.603 10 0 DJAERN CC(C)Nc1nc(-c2ccc(F)c(Br)c2)cs1 ZINC000061714513 184184970 /nfs/dbraw/zinc/18/49/70/184184970.db2.gz XXGFBIYOLIDAAR-UHFFFAOYSA-N 0 0 315.211 4.532 10 0 DJAERN O[C@H](c1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccccc1 ZINC000061907612 184194619 /nfs/dbraw/zinc/19/46/19/184194619.db2.gz IYBTYDCSCBRJLQ-HNNXBMFYSA-N 0 0 319.788 4.684 10 0 DJAERN Cc1c(N)cccc1N[C@@H](C)c1cccc(Br)c1 ZINC000062725028 184250838 /nfs/dbraw/zinc/25/08/38/184250838.db2.gz XRNPQBNTEJGCTA-NSHDSACASA-N 0 0 305.219 4.513 10 0 DJAERN O=C(Cc1ccc(F)cc1Cl)c1ccc(Cl)cc1F ZINC000062785156 184253098 /nfs/dbraw/zinc/25/30/98/184253098.db2.gz LXVUECFSXSSROH-UHFFFAOYSA-N 0 0 301.119 4.697 10 0 DJAERN COc1ccc(-c2ccc(Cl)c(O)c2)cc1C(F)(F)F ZINC000065343652 184325281 /nfs/dbraw/zinc/32/52/81/184325281.db2.gz QOZUREZNGKOTBF-UHFFFAOYSA-N 0 0 302.679 4.740 10 0 DJAERN COc1ccc(C(F)(F)F)cc1-c1ccc(O)c(Cl)c1 ZINC000065343644 184325620 /nfs/dbraw/zinc/32/56/20/184325620.db2.gz GZSQRSJPIQUBMP-UHFFFAOYSA-N 0 0 302.679 4.740 10 0 DJAERN Oc1cc(Br)cc(-c2ccccc2C(F)(F)F)c1 ZINC000065343905 184326019 /nfs/dbraw/zinc/32/60/19/184326019.db2.gz PJPZFVQVZVQOAO-UHFFFAOYSA-N 0 0 317.104 4.841 10 0 DJAERN CCOC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000066345387 184403553 /nfs/dbraw/zinc/40/35/53/184403553.db2.gz QQJFZGVYHIFAHF-UHFFFAOYSA-N 0 0 300.301 4.611 10 0 DJAERN Clc1ccc2[nH]c(-c3ccc(Br)s3)nc2c1 ZINC000070233722 257128076 /nfs/dbraw/zinc/12/80/76/257128076.db2.gz KTTMCVBKEXUBET-UHFFFAOYSA-N 0 0 313.607 4.707 10 0 DJAERN FC(F)(F)[C@]1(NCc2ccccc2)CCCc2ccccc21 ZINC000390721168 257260804 /nfs/dbraw/zinc/26/08/04/257260804.db2.gz BQWBEWNMXQCOMQ-KRWDZBQOSA-N 0 0 305.343 4.570 10 0 DJAERN C[C@H](Nc1ncccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000037986969 331593753 /nfs/dbraw/zinc/59/37/53/331593753.db2.gz JHFZAPJMISUSFC-VIFPVBQESA-N 0 0 300.711 4.927 10 0 DJAERN CC(C)COc1ccc([C@@H](C)N[C@H](C)c2nccs2)cc1 ZINC000080289651 331684500 /nfs/dbraw/zinc/68/45/00/331684500.db2.gz HFXFGTJRCOOHLC-ZIAGYGMSSA-N 0 0 304.459 4.590 10 0 DJAERN C[C@H](c1ccco1)N(C(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000086338901 332020875 /nfs/dbraw/zinc/02/08/75/332020875.db2.gz RKAMBJDXGNRNSB-RDTXWAMCSA-N 0 0 324.424 4.592 10 0 DJAERN Cc1ccccc1[C@@H](NCc1ccc(Cl)cn1)c1ccccc1 ZINC000181061717 332173501 /nfs/dbraw/zinc/17/35/01/332173501.db2.gz FNGVYOXJBITEJJ-FQEVSTJZSA-N 0 0 322.839 4.923 10 0 DJAERN O=C(CCCC1CCCCC1)N1CCCC[C@@H]1c1nccs1 ZINC000115363317 332250830 /nfs/dbraw/zinc/25/08/30/332250830.db2.gz URZRXGQBVQCVPE-MRXNPFEDSA-N 0 0 320.502 4.947 10 0 DJAERN CCn1ccnc1CNc1ccccc1Sc1ccccc1 ZINC000177093391 332971542 /nfs/dbraw/zinc/97/15/42/332971542.db2.gz XBUGDCCWEPRPKB-UHFFFAOYSA-N 0 0 309.438 4.666 10 0 DJAERN CCC[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)CCO1 ZINC000182500438 335118905 /nfs/dbraw/zinc/11/89/05/335118905.db2.gz DQGBNQFUSMOSPN-KFKAGJAMSA-N 0 0 317.473 4.583 10 0 DJAERN CCc1ccc([C@@H]2CCCCN2C(=O)C[C@@H]2C=CCCC2)o1 ZINC000188232491 333361147 /nfs/dbraw/zinc/36/11/47/333361147.db2.gz KEATZLQMHUREJK-WBVHZDCISA-N 0 0 301.430 4.642 10 0 DJAERN CCc1ccc([C@@H]2CCCCN2C(=O)C[C@H]2C=CCCC2)o1 ZINC000188232444 333361178 /nfs/dbraw/zinc/36/11/78/333361178.db2.gz KEATZLQMHUREJK-RDJZCZTQSA-N 0 0 301.430 4.642 10 0 DJAERN C[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)s1)c1cccs1 ZINC000047976866 333556185 /nfs/dbraw/zinc/55/61/85/333556185.db2.gz AEYJMKNUPWQETC-IUCAKERBSA-N 0 0 314.863 4.584 10 0 DJAERN CCc1cnc([C@@H](C)Nc2nc(C)nc3scc(C)c32)s1 ZINC000126455201 334861874 /nfs/dbraw/zinc/86/18/74/334861874.db2.gz RHIJNGFPXNSUCL-SECBINFHSA-N 0 0 318.471 4.500 10 0 DJAERN CC(C)[C@H](C)NC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000113370959 335719038 /nfs/dbraw/zinc/71/90/38/335719038.db2.gz VTYLHNLDDBKNSS-ZDUSSCGKSA-N 0 0 322.499 4.566 10 0 DJAERN Cc1ccc(CCCCC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116047159 335876768 /nfs/dbraw/zinc/87/67/68/335876768.db2.gz QHZABACGNQDCEC-SFHVURJKSA-N 0 0 311.425 4.665 10 0 DJAERN C[C@H](NC(=O)CCC1CCCC1)c1cccc(Br)c1 ZINC000042353154 336239616 /nfs/dbraw/zinc/23/96/16/336239616.db2.gz AMFGULVSHPZDLG-LBPRGKRZSA-N 0 0 324.262 4.597 10 0 DJAERN CCc1cnc([C@@H](C)Nc2ncnc3c4ccccc4oc32)s1 ZINC000301520854 336312186 /nfs/dbraw/zinc/31/21/86/336312186.db2.gz DEFOQZMEHLUURK-SNVBAGLBSA-N 0 0 324.409 4.568 10 0 DJAERN CC(C)(C)[C@@H](Nc1ncnc2sccc21)c1cccs1 ZINC000301560273 336314896 /nfs/dbraw/zinc/31/48/96/336314896.db2.gz KCETVQFTGKJAQT-LBPRGKRZSA-N 0 0 303.456 4.952 10 0 DJAERN Cc1cc(N[C@H](CCCO)c2ccccc2)c2cc(F)ccc2[nH+]1 ZINC000301668656 336322207 /nfs/dbraw/zinc/32/22/07/336322207.db2.gz MSFJNUDYRJHFQN-GOSISDBHSA-N 0 0 324.399 4.608 10 0 DJAERN Cc1nc(CNc2ccc3c(Cl)ccnc3c2F)c(C)s1 ZINC000301850801 336333995 /nfs/dbraw/zinc/33/39/95/336333995.db2.gz WTWGJLMJBCLKPM-UHFFFAOYSA-N 0 0 321.808 4.713 10 0 DJAERN Cc1nc(CNc2nc(-c3ccc(F)cc3)cs2)c(C)s1 ZINC000301850288 336334036 /nfs/dbraw/zinc/33/40/36/336334036.db2.gz WONBZHJQDDOQMW-UHFFFAOYSA-N 0 0 319.430 4.635 10 0 DJAERN CC(C)(C)[C@@H](Nc1ccc(C(F)(F)F)nn1)c1cccs1 ZINC000301948958 336339493 /nfs/dbraw/zinc/33/94/93/336339493.db2.gz ICLDWIGPTHZMNZ-LBPRGKRZSA-N 0 0 315.364 4.756 10 0 DJAERN Cc1cccc(C(C)C)c1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117565903 336856365 /nfs/dbraw/zinc/85/63/65/336856365.db2.gz DFGRUXOWTFXWGE-AUUYWEPGSA-N 0 0 309.409 4.622 10 0 DJAERN COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c(Cl)c2)cc1OC ZINC000193734006 337079245 /nfs/dbraw/zinc/07/92/45/337079245.db2.gz KGYCFTWVCGPYGT-CYBMUJFWSA-N 0 0 319.832 4.516 10 0 DJAERN CCSc1cccc(NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000172155451 337090142 /nfs/dbraw/zinc/09/01/42/337090142.db2.gz SBAAGOHDULHOHT-HNNXBMFYSA-N 0 0 316.426 4.761 10 0 DJAERN O=[S@@](Cc1ncc(-c2ccccc2Cl)o1)C1CCCCC1 ZINC000173194654 337133604 /nfs/dbraw/zinc/13/36/04/337133604.db2.gz OKXYJMULQCAWLQ-NRFANRHFSA-N 0 0 323.845 4.576 10 0 DJAERN O=[S@](Cc1ncc(-c2ccccc2Cl)o1)C1CCCCC1 ZINC000173194642 337133617 /nfs/dbraw/zinc/13/36/17/337133617.db2.gz OKXYJMULQCAWLQ-OAQYLSRUSA-N 0 0 323.845 4.576 10 0 DJAERN CCC1(C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)CCC1 ZINC000176178475 337149566 /nfs/dbraw/zinc/14/95/66/337149566.db2.gz WVMJJESVIPOLSN-AWEZNQCLSA-N 0 0 320.502 4.553 10 0 DJAERN C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1 ZINC000178612754 337165378 /nfs/dbraw/zinc/16/53/78/337165378.db2.gz CPPWCCZWMMVFOZ-YWZLYKJASA-N 0 0 306.384 4.661 10 0 DJAERN CC[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1cccs1 ZINC000179809600 337171934 /nfs/dbraw/zinc/17/19/34/337171934.db2.gz MDMQOADXRHVNCO-CQSZACIVSA-N 0 0 300.427 4.586 10 0 DJAERN Cc1coc(-c2ccc(C)c(N[C@H](C)c3cncc(F)c3)c2)n1 ZINC000180035727 337173295 /nfs/dbraw/zinc/17/32/95/337173295.db2.gz AYHZZQCRGMJYKN-CYBMUJFWSA-N 0 0 311.360 4.666 10 0 DJAERN c1cc(Oc2ccccc2)oc1CN[C@H]1CCOc2ccccc21 ZINC000180764015 337177753 /nfs/dbraw/zinc/17/77/53/337177753.db2.gz JRMMLSXETQNKMN-SFHVURJKSA-N 0 0 321.376 4.685 10 0 DJAERN C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000180849205 337178175 /nfs/dbraw/zinc/17/81/75/337178175.db2.gz KVJXMKCSBTWVQC-SJLPKXTDSA-N 0 0 311.425 4.602 10 0 DJAERN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(Cl)cc1 ZINC000185825448 337250514 /nfs/dbraw/zinc/25/05/14/337250514.db2.gz MZJITWUTLDDPJM-AWEZNQCLSA-N 0 0 323.827 4.648 10 0 DJAERN CC(C)[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccccc1 ZINC000186059486 337253202 /nfs/dbraw/zinc/25/32/02/337253202.db2.gz CSJFVMUBUBMAAG-NRFANRHFSA-N 0 0 317.436 4.631 10 0 DJAERN CC[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccccc1F ZINC000186060835 337253287 /nfs/dbraw/zinc/25/32/87/337253287.db2.gz ZPRGSLOMKYFWQK-IBGZPJMESA-N 0 0 321.399 4.524 10 0 DJAERN Cc1cc([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)c(C)s1 ZINC000186539788 337257345 /nfs/dbraw/zinc/25/73/45/337257345.db2.gz KEUBTAMPUWVPQG-NSHDSACASA-N 0 0 315.442 4.515 10 0 DJAERN C[C@H]1CC[C@H](Nc2ccc3c(c2)CN(C)C(=O)N3)c2ccccc21 ZINC000186527754 337257394 /nfs/dbraw/zinc/25/73/94/337257394.db2.gz ZYFZZHRACREUMH-DJJJIMSYSA-N 0 0 321.424 4.714 10 0 DJAERN CC(F)(F)c1cccc(NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000187028151 337261264 /nfs/dbraw/zinc/26/12/64/337261264.db2.gz BCVPNWOMPYVIKW-AWEZNQCLSA-N 0 0 320.339 4.760 10 0 DJAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)cs1 ZINC000187126796 337262792 /nfs/dbraw/zinc/26/27/92/337262792.db2.gz QXHMEIZAOGPQDI-BJJXKVORSA-N 0 0 320.502 4.577 10 0 DJAERN CC(C)(C)OC(=O)Nc1cnc(Cl)cc1-c1ccccc1 ZINC000584601131 337370856 /nfs/dbraw/zinc/37/08/56/337370856.db2.gz SAZDGQDGIOPDEC-UHFFFAOYSA-N 0 0 304.777 4.749 10 0 DJAERN CCC[C@@H](CC)[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1 ZINC000584601846 337370967 /nfs/dbraw/zinc/37/09/67/337370967.db2.gz HSAMLOISWPJNKH-IMFGXOCKSA-N 0 0 301.474 4.639 10 0 DJAERN Cc1ccc(F)c2c1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]21 ZINC000584602353 337371021 /nfs/dbraw/zinc/37/10/21/337371021.db2.gz GLJBTNFFQBOCGI-MWTROVGWSA-N 0 0 302.433 4.741 10 0 DJAERN CCOc1cc(C=O)cc(C2CC2)c1-c1ccc(F)cc1F ZINC000584611842 337372306 /nfs/dbraw/zinc/37/23/06/337372306.db2.gz MUMNOPFOIGKXAY-UHFFFAOYSA-N 0 0 302.320 4.720 10 0 DJAERN Oc1ccc(-c2cccc(C(F)(F)F)c2)cc1Br ZINC000584612627 337372442 /nfs/dbraw/zinc/37/24/42/337372442.db2.gz NWGQPQNSRYABDO-UHFFFAOYSA-N 0 0 317.104 4.841 10 0 DJAERN CCC/C(=C\c1nnc(-c2ccc(C=O)cc2)o1)c1ccccc1 ZINC000584592614 337373609 /nfs/dbraw/zinc/37/36/09/337373609.db2.gz UFIZAGGHJGPJSL-QGOAFFKASA-N 0 0 318.376 4.890 10 0 DJAERN Fc1cccc(-c2n[nH]cc2Oc2ccc(Cl)cc2)c1F ZINC000584619407 337373630 /nfs/dbraw/zinc/37/36/30/337373630.db2.gz NGMFLNTVSBIPPW-UHFFFAOYSA-N 0 0 306.699 4.801 10 0 DJAERN COc1cc(OC)cc([C@H](C)[C@@H](C)Cc2ccc(F)cc2)c1 ZINC000584593132 337373651 /nfs/dbraw/zinc/37/36/51/337373651.db2.gz UILNVJJEEZZRRG-UONOGXRCSA-N 0 0 302.389 4.825 10 0 DJAERN OC[C@@H](CCOc1ccccc1)c1ccc(Cl)cc1Cl ZINC000584595092 337373941 /nfs/dbraw/zinc/37/39/41/337373941.db2.gz RBXSCXWLLPEGDD-GFCCVEGCSA-N 0 0 311.208 4.538 10 0 DJAERN COC(=O)[C@@H](Cc1c(Cl)cccc1Cl)c1ccccc1C ZINC000584596319 337374142 /nfs/dbraw/zinc/37/41/42/337374142.db2.gz QEHVFZGZQTVOKP-ZDUSSCGKSA-N 0 0 323.219 4.801 10 0 DJAERN CCOC(=O)C[C@@H](c1ccc(C(C)=O)cc1)C1CCCCC1 ZINC000584596328 337374173 /nfs/dbraw/zinc/37/41/73/337374173.db2.gz RJGHVOOBNJSXTJ-GOSISDBHSA-N 0 0 302.414 4.506 10 0 DJAERN C[C@H](COC(=O)c1ccc(Br)cc1)CC(C)(C)C ZINC000584598064 337374424 /nfs/dbraw/zinc/37/44/24/337374424.db2.gz BCTKTKNRUARXRT-NSHDSACASA-N 0 0 313.235 4.678 10 0 DJAERN Brc1cc(-c2ccc(Br)cc2)cs1 ZINC000584624823 337375298 /nfs/dbraw/zinc/37/52/98/337375298.db2.gz WBRIMLGNHKTADJ-UHFFFAOYSA-N 0 0 318.033 4.940 10 0 DJAERN Fc1ccc(Oc2ncc(Cl)c3ccnc(Cl)c32)cc1 ZINC000584624241 337375335 /nfs/dbraw/zinc/37/53/35/337375335.db2.gz LKEPWESRHRBVIC-UHFFFAOYSA-N 0 0 309.127 4.868 10 0 DJAERN Fc1cccc(Oc2ncc(Cl)c3ccnc(Cl)c32)c1 ZINC000584624326 337375345 /nfs/dbraw/zinc/37/53/45/337375345.db2.gz WNKYFOJGAHNHST-UHFFFAOYSA-N 0 0 309.127 4.868 10 0 DJAERN OCCCCCc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000584627014 337376040 /nfs/dbraw/zinc/37/60/40/337376040.db2.gz CYRNNTACJHFLNI-UHFFFAOYSA-N 0 0 307.393 4.714 10 0 DJAERN C[C@@](O)(c1ccccc1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000584629700 337376551 /nfs/dbraw/zinc/37/65/51/337376551.db2.gz OSQAEPGZMLGOIR-VQTJNVASSA-N 0 0 323.823 4.775 10 0 DJAERN O[C@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)c1ccccn1 ZINC000584629749 337376604 /nfs/dbraw/zinc/37/66/04/337376604.db2.gz QKAKZMXKFAUZAY-RTBURBONSA-N 0 0 309.796 4.601 10 0 DJAERN C[C@@](O)(c1ccccc1Cl)[C@H](c1ccccc1)c1ccccn1 ZINC000584629764 337376610 /nfs/dbraw/zinc/37/66/10/337376610.db2.gz RAZYYBUOXWFVBJ-WOJBJXKFSA-N 0 0 323.823 4.775 10 0 DJAERN Cc1ccc(Nc2ccc3c(cnn3C(=O)OC(C)(C)C)c2)cc1 ZINC000584654170 337377762 /nfs/dbraw/zinc/37/77/62/337377762.db2.gz OFZAELBHMMHCMW-UHFFFAOYSA-N 0 0 323.396 4.872 10 0 DJAERN CCCCO[C@H]1ON=C(c2c(Cl)cccc2Cl)[C@H]1C ZINC000584654217 337377763 /nfs/dbraw/zinc/37/77/63/337377763.db2.gz SESSCFSCBPTGKV-OTYXRUKQSA-N 0 0 302.201 4.507 10 0 DJAERN CCOP(=O)(Cc1nc2ccc(Cl)cc2s1)OCC ZINC000584648066 337380412 /nfs/dbraw/zinc/38/04/12/337380412.db2.gz STTLTCZJUFSZAZ-UHFFFAOYSA-N 0 0 319.750 4.716 10 0 DJAERN O=C(CCc1ccc2ccccc2c1)N1CCC[C@H]1c1ccco1 ZINC000116044311 337392221 /nfs/dbraw/zinc/39/22/21/337392221.db2.gz SJNIDEBPDFAKNT-IBGZPJMESA-N 0 0 319.404 4.729 10 0 DJAERN O=C(Nc1ccc2ccccc2c1)N1CCC[C@@H]1c1ccco1 ZINC000116474485 337392684 /nfs/dbraw/zinc/39/26/84/337392684.db2.gz SFJOLJDKDDHMDI-QGZVFWFLSA-N 0 0 306.365 4.802 10 0 DJAERN Cc1ccc(F)cc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118007967 337393850 /nfs/dbraw/zinc/39/38/50/337393850.db2.gz VCNPJDKEMIZRKE-UHFFFAOYSA-N 0 0 316.401 4.517 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2cccc(C)c2F)o1 ZINC000121218805 337888210 /nfs/dbraw/zinc/88/82/10/337888210.db2.gz VPUMWGMFGSCFIL-OAHLLOKOSA-N 0 0 316.376 4.795 10 0 DJAERN CC1(C)CCc2ccccc2[C@H]1NCc1ncc(Cl)s1 ZINC000472080591 339363016 /nfs/dbraw/zinc/36/30/16/339363016.db2.gz QUTRPHXSLHIXCW-OAHLLOKOSA-N 0 0 306.862 4.600 10 0 DJAERN Cc1cccc(Oc2ccc(NC(=O)N[C@H](C)C3CC3)cc2)c1 ZINC000501720897 340087163 /nfs/dbraw/zinc/08/71/63/340087163.db2.gz RGWGCNCTHXTKMH-CQSZACIVSA-N 0 0 310.397 4.707 10 0 DJAERN COC1=CCC2=C(C1)C[C@H](C)[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000504215464 340143103 /nfs/dbraw/zinc/14/31/03/340143103.db2.gz IPJVMXOAIRAKHC-NIYLDPKVSA-N 0 0 300.442 4.659 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)c2cccc(F)c2)o1 ZINC000173243721 340360995 /nfs/dbraw/zinc/36/09/95/340360995.db2.gz HTDZYZHEQDJKOZ-WMLDXEAASA-N 0 0 315.388 4.584 10 0 DJAERN CC(C)CCC[C@@H](C)NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176133365 340425333 /nfs/dbraw/zinc/42/53/33/340425333.db2.gz XJJBKUJHFWQZKI-CABCVRRESA-N 0 0 323.506 4.595 10 0 DJAERN CCCC[C@@H](CCC)NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186998046 340517254 /nfs/dbraw/zinc/51/72/54/340517254.db2.gz YUBZTEGTGJCZAW-ZBFHGGJFSA-N 0 0 323.506 4.657 10 0 DJAERN Cc1cc(F)c(Br)cc1N[C@@H](C)c1cncs1 ZINC000235548311 340660748 /nfs/dbraw/zinc/66/07/48/340660748.db2.gz QXRHKIFFFONHOH-QMMMGPOBSA-N 0 0 315.211 4.526 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccccc2C)o1 ZINC000127482372 340851687 /nfs/dbraw/zinc/85/16/87/340851687.db2.gz QPWSTWCPHQBLSF-SFHVURJKSA-N 0 0 311.425 4.583 10 0 DJAERN Cc1noc(-c2ccccc2)c1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000131003355 341056105 /nfs/dbraw/zinc/05/61/05/341056105.db2.gz ZMDYDIMQCQZVMH-IRXDYDNUSA-N 0 0 324.424 4.805 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2Cc2csc(C3CC3)n2)o1 ZINC000135597211 341242642 /nfs/dbraw/zinc/24/26/42/341242642.db2.gz PMXDLDVJUXMCMK-HNNXBMFYSA-N 0 0 302.443 4.649 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(C)cc2F)o1 ZINC000153495273 341542736 /nfs/dbraw/zinc/54/27/36/341542736.db2.gz FOHWMGMMWGIPDB-INIZCTEOSA-N 0 0 316.376 4.795 10 0 DJAERN CC[C@H](N[C@@H](c1nc(C2CC2)no1)C(C)C)c1cccc(F)c1 ZINC000188198914 522709644 /nfs/dbraw/zinc/70/96/44/522709644.db2.gz BKHBZJCCZDSGMI-JKSUJKDBSA-N 0 0 317.408 4.524 10 0 DJAERN C[C@@H](C(=O)N1CCC(c2cccc3cnccc32)CC1)C(C)(C)C ZINC000365336166 524103856 /nfs/dbraw/zinc/10/38/56/524103856.db2.gz YFUXIZTWXYLKKJ-HNNXBMFYSA-N 0 0 324.468 4.623 10 0 DJAERN C[C@H](NCc1nc(C(F)(F)F)cs1)c1cccc(Cl)c1 ZINC000157342144 525486071 /nfs/dbraw/zinc/48/60/71/525486071.db2.gz PEVRCXJHXGINPQ-QMMMGPOBSA-N 0 0 320.767 4.666 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc3[nH]ccc3c2)o1 ZINC000159002374 525800227 /nfs/dbraw/zinc/80/02/27/525800227.db2.gz PIVXIRSCIQAHOU-KRWDZBQOSA-N 0 0 323.396 4.828 10 0 DJAERN Cc1nc(CN[C@@H](C)c2ccc(OCCC(C)C)cc2)oc1C ZINC000181739941 526891767 /nfs/dbraw/zinc/89/17/67/526891767.db2.gz XKIRBZBWAWOWJK-HNNXBMFYSA-N 0 0 316.445 4.567 10 0 DJAERN Cc1nc([C@@H]2CCCN2Cc2ccc(C(F)F)cc2)cs1 ZINC000189748848 527051778 /nfs/dbraw/zinc/05/17/78/527051778.db2.gz XERCBTSFWBIBBW-HNNXBMFYSA-N 0 0 308.397 4.726 10 0 DJAERN Brc1cc(-c2ccccc2)c(Br)s1 ZINC000000403425 563251335 /nfs/dbraw/zinc/25/13/35/563251335.db2.gz JYNOXEBITOGCMQ-UHFFFAOYSA-N 0 0 318.033 4.940 10 0 DJAERN CC(C)=CCC/C(C)=C/COc1cc(O)cc2oc(=O)ccc12 ZINC000013481534 560217373 /nfs/dbraw/zinc/21/73/73/560217373.db2.gz WLGKAJXVMRUMDU-NTEUORMPSA-N 0 0 314.381 4.570 10 0 biogenic,in-vitro DJAERN CC1(C)C=Cc2cc3c(cc2O1)oc1c3COc2cc(O)ccc2-1 ZINC000013360786 563556233 /nfs/dbraw/zinc/55/62/33/563556233.db2.gz JKBQWLWECJXFBS-UHFFFAOYSA-N 0 0 320.344 4.882 10 0 biogenic DJAERN Cc1sc2ncnc(Nc3ccc(F)cc3Cl)c2c1C ZINC000000215476 563578478 /nfs/dbraw/zinc/57/84/78/563578478.db2.gz VSBLDVUTHIZNJF-UHFFFAOYSA-N 0 0 307.781 4.844 10 0 DJAERN O=C(/C=C/c1ccc(-c2ccco2)s1)OCc1ccccc1 ZINC000048545247 563698673 /nfs/dbraw/zinc/69/86/73/563698673.db2.gz VOYFVPUYONEIPM-PKNBQFBNSA-N 0 0 310.374 4.765 10 0 DJAERN CC(C)c1cc(Cl)nc(-c2ccc(Br)cc2)n1 ZINC000036755700 563889572 /nfs/dbraw/zinc/88/95/72/563889572.db2.gz PSOPDPONNMMLIM-UHFFFAOYSA-N 0 0 311.610 4.683 10 0 DJAERN Cc1cc2c(cc3c(SCc4ccc(C)cc4)nnc(C)n23)o1 ZINC000006894155 563898735 /nfs/dbraw/zinc/89/87/35/563898735.db2.gz MZTYVQLGOPWULR-UHFFFAOYSA-N 0 0 323.421 4.693 10 0 DJAERN CN(Cc1ccccc1)C(=O)c1ccc(-c2ccsc2)cc1 ZINC000013359936 563929559 /nfs/dbraw/zinc/92/95/59/563929559.db2.gz MCJSVUCZSYPLAL-UHFFFAOYSA-N 0 0 307.418 4.687 10 0 DJAERN COC(=O)c1cccc2nc(-c3cc(Cl)cc(Cl)c3)oc21 ZINC000090513515 185300094 /nfs/dbraw/zinc/30/00/94/185300094.db2.gz RDXRWAHMXFHMPH-UHFFFAOYSA-N 0 0 322.147 4.588 10 0 DJAERN COc1cc2oc(C)c(-c3cc(F)cc(F)c3)c2c(OC)c1 ZINC000090528124 185300764 /nfs/dbraw/zinc/30/07/64/185300764.db2.gz HQNJSGXQZXDRSO-UHFFFAOYSA-N 0 0 304.292 4.704 10 0 DJAERN CCc1nc(Cl)c(-c2ccccc2)c(NC2CCCC2)n1 ZINC000090415813 185295026 /nfs/dbraw/zinc/29/50/26/185295026.db2.gz VIFBSUJIXBKGNM-UHFFFAOYSA-N 0 0 301.821 4.714 10 0 DJAERN CC[C@]1(C)C[C@H](O)[C@H](C)[C@@](C)(CC)N1O[C@@H](C)c1ccccc1 ZINC000090414979 185295126 /nfs/dbraw/zinc/29/51/26/185295126.db2.gz DGSTWPUWTGYKAY-FLFBIERCSA-N 0 0 319.489 4.719 10 0 DJAERN Fc1cccc(Cn2ccc3c2cccc3Br)c1 ZINC000090558591 185303043 /nfs/dbraw/zinc/30/30/43/185303043.db2.gz CTTBTBDGSUMGSI-UHFFFAOYSA-N 0 0 304.162 4.591 10 0 DJAERN COc1ncc(-c2cccc(C(F)(F)F)c2)c2c(O)cccc12 ZINC000090555776 185303241 /nfs/dbraw/zinc/30/32/41/185303241.db2.gz HLOQAHQUMXVTGB-UHFFFAOYSA-N 0 0 319.282 4.635 10 0 DJAERN CCc1ccc(CC(=O)Nc2nc3c(cc(C)cc3C)s2)cc1 ZINC000010700697 190633519 /nfs/dbraw/zinc/63/35/19/190633519.db2.gz JQAORUKCOITDNE-UHFFFAOYSA-N 0 0 324.449 4.657 10 0 DJAERN CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@H](O)CC1 ZINC000169347038 197744211 /nfs/dbraw/zinc/74/42/11/197744211.db2.gz YXWISLRSJNLONB-CQSZACIVSA-N 0 0 316.441 4.594 10 0 DJAERN FC(F)(F)c1ccc(-c2scnc2Br)cc1 ZINC000072192335 191073361 /nfs/dbraw/zinc/07/33/61/191073361.db2.gz KZTQUNCJEJLYTM-UHFFFAOYSA-N 0 0 308.122 4.591 10 0 DJAERN FC(F)(F)c1cccc(-c2scnc2Br)c1 ZINC000072192334 191073657 /nfs/dbraw/zinc/07/36/57/191073657.db2.gz GTAFTHCPOVRFPZ-UHFFFAOYSA-N 0 0 308.122 4.591 10 0 DJAERN Cc1ccc2cc([C@H]3CC(c4ccccc4)=NN3)c(Cl)nc2c1 ZINC000142419003 186032910 /nfs/dbraw/zinc/03/29/10/186032910.db2.gz UQLFMFXIUDNVFT-GOSISDBHSA-N 0 0 321.811 4.635 10 0 DJAERN COc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1 ZINC000145255189 186037099 /nfs/dbraw/zinc/03/70/99/186037099.db2.gz LQFBAXPSNBYAAW-UHFFFAOYSA-N 0 0 300.361 4.701 10 0 DJAERN CCn1c(C)c(C)c2ccnc(NCc3ccc(F)cc3C)c21 ZINC000146001770 186038022 /nfs/dbraw/zinc/03/80/22/186038022.db2.gz RKBONDHTSLKUIZ-UHFFFAOYSA-N 0 0 311.404 4.733 10 0 DJAERN Cc1[nH]c2c(ccnc2NCc2ccccc2C(F)(F)F)c1C ZINC000146014937 186038150 /nfs/dbraw/zinc/03/81/50/186038150.db2.gz XVULKMYPKDWOJD-UHFFFAOYSA-N 0 0 319.330 4.811 10 0 DJAERN COc1ccc2[nH]c(C(=O)c3cc4ccccc4s3)cc2c1 ZINC000000024260 180670865 /nfs/dbraw/zinc/67/08/65/180670865.db2.gz PQWWKEIRUGKODQ-UHFFFAOYSA-N 0 0 307.374 4.622 10 0 DJAERN CC(C)c1ccc(/C=C/c2ccnc(N3CCCCC3)n2)cc1 ZINC000072443588 191169142 /nfs/dbraw/zinc/16/91/42/191169142.db2.gz JNSSAISFTIQEDT-DHZHZOJOSA-N 0 0 307.441 4.761 10 0 DJAERN CCc1ccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000001935205 180902764 /nfs/dbraw/zinc/90/27/64/180902764.db2.gz GXGUZLSTPSAHGJ-UHFFFAOYSA-N 0 0 323.223 4.606 10 0 DJAERN CCCCOc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000001930486 180902824 /nfs/dbraw/zinc/90/28/24/180902824.db2.gz XQJJRDQSFZGDIE-AWNIVKPZSA-N 0 0 313.372 4.657 10 0 DJAERN CCOc1ccc(/C=C/C(=O)Nc2c(C)cccc2CC)cc1 ZINC000001959905 180903960 /nfs/dbraw/zinc/90/39/60/180903960.db2.gz ZJOVAXLMJZNJGO-SDNWHVSQSA-N 0 0 309.409 4.608 10 0 DJAERN COc1ccccc1/C=C/C(=O)Nc1ccc(Cl)cc1Cl ZINC000001924670 180901948 /nfs/dbraw/zinc/90/19/48/180901948.db2.gz BHPFKGYQHNIRLB-RMKNXTFCSA-N 0 0 322.191 4.654 10 0 DJAERN CCc1ccc(-c2csc(NC(=O)/C=C/c3ccco3)n2)cc1 ZINC000003554835 181033824 /nfs/dbraw/zinc/03/38/24/181033824.db2.gz UWLJMMXQKNXZHA-MDZDMXLPSA-N 0 0 324.405 4.617 10 0 DJAERN Cc1ccc(-c2csc(NC(=O)/C=C/c3ccco3)n2)cc1C ZINC000003554230 181033867 /nfs/dbraw/zinc/03/38/67/181033867.db2.gz VUCGNZCBMFQYNK-BQYQJAHWSA-N 0 0 324.405 4.672 10 0 DJAERN CCN=C1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)S1 ZINC000003623386 181042459 /nfs/dbraw/zinc/04/24/59/181042459.db2.gz ZGOWZGZRTGGMMM-OAHLLOKOSA-N 0 0 302.830 4.773 10 0 in-man DJAERN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC(C)(C)C(=O)[C@@]3(C)CC[C@H]21 ZINC000004921394 181173333 /nfs/dbraw/zinc/17/33/33/181173333.db2.gz JNQVQWBUEKUMDX-WIRSXHRWSA-N 0 0 312.453 4.757 10 0 DJAERN C[C@H](NC(=O)N[C@H]1CCC[C@H]1C)c1ccc(Cl)cc1Cl ZINC000078519744 191877733 /nfs/dbraw/zinc/87/77/33/191877733.db2.gz NFUFJNKDBLSPDU-BFVZDQMLSA-N 0 0 315.244 4.542 10 0 DJAERN COc1cccc(/C=C/C(=O)Nc2ccccc2C(C)(C)C)c1 ZINC000005443274 181244239 /nfs/dbraw/zinc/24/42/39/181244239.db2.gz YVISQLHSOPFOSE-OUKQBFOZSA-N 0 0 309.409 4.645 10 0 DJAERN CCCn1cnc2scc(-c3ccc(C(C)C)cc3)c2c1=O ZINC000005486764 181249029 /nfs/dbraw/zinc/24/90/29/181249029.db2.gz KWIBFOGDTJDENW-UHFFFAOYSA-N 0 0 312.438 4.658 10 0 DJAERN [O-][n+]1ccc(Sc2cccc3ccccc32)c2ccccc21 ZINC000005519156 181252603 /nfs/dbraw/zinc/25/26/03/181252603.db2.gz UENRSLNKJOTKCC-UHFFFAOYSA-N 0 0 303.386 4.778 10 0 DJAERN Cc1cccc(NC(=O)COc2cc(C)ccc2C(C)(C)C)c1 ZINC000005548207 181256115 /nfs/dbraw/zinc/25/61/15/181256115.db2.gz ABTTZSQZOUAVHH-UHFFFAOYSA-N 0 0 311.425 4.618 10 0 DJAERN Cc1ccc(-c2csc3ncnc(N4CCCC4)c23)cc1C ZINC000005550246 181256285 /nfs/dbraw/zinc/25/62/85/181256285.db2.gz COEISCGRPFUXPJ-UHFFFAOYSA-N 0 0 309.438 4.575 10 0 DJAERN CCC(C)(C)c1ccc(OCc2ccc(C(N)=S)cc2)cc1 ZINC000005592569 181261835 /nfs/dbraw/zinc/26/18/35/181261835.db2.gz IBQCDHYEMBGMCD-UHFFFAOYSA-N 0 0 313.466 4.587 10 0 DJAERN COC(=O)c1ccccc1-n1c2ccccc2c2ccccc21 ZINC000005586703 181260989 /nfs/dbraw/zinc/26/09/89/181260989.db2.gz FLMRJQDGQRDSPP-UHFFFAOYSA-N 0 0 301.345 4.570 10 0 DJAERN COc1c(=O)c2cc(Cl)ccc2oc1-c1ccc(Cl)cc1 ZINC000005607483 181262971 /nfs/dbraw/zinc/26/29/71/181262971.db2.gz CUZNJFMEMMCSQI-UHFFFAOYSA-N 0 0 321.159 4.775 10 0 DJAERN O=C(c1ccccc1Oc1ccccc1)n1cnc2ccccc21 ZINC000005737786 181279185 /nfs/dbraw/zinc/27/91/85/181279185.db2.gz ABLROAYBAOETGJ-UHFFFAOYSA-N 0 0 314.344 4.517 10 0 DJAERN Cn1c(-c2ccc(Cl)s2)cs/c1=N\c1ccccc1 ZINC000005749050 181280133 /nfs/dbraw/zinc/28/01/33/181280133.db2.gz WDVKRYBNVGDDMR-PEZBUJJGSA-N 0 0 306.843 4.701 10 0 DJAERN CC(C)(OC(=O)n1ccc2ccccc21)C(Cl)(Cl)Cl ZINC000089209166 192742114 /nfs/dbraw/zinc/74/21/14/192742114.db2.gz UGKDPKMHUPGLAE-UHFFFAOYSA-N 0 0 320.603 4.775 10 0 DJAERN CCOC(C[C@@H](C)CC(CC(C)C)(OCC)OCC)OCC ZINC000238791486 202450367 /nfs/dbraw/zinc/45/03/67/202450367.db2.gz BADWPWMLBZVGSS-MRXNPFEDSA-N 0 0 318.498 4.617 10 0 DJAERN Cc1ccc(-c2nnc(COc3ccc4ccccc4c3)[nH]2)cc1 ZINC000005968905 181302278 /nfs/dbraw/zinc/30/22/78/181302278.db2.gz USYMSSTXCLZMBL-UHFFFAOYSA-N 0 0 315.376 4.512 10 0 DJAERN O=C(COc1cccc2ccccc21)c1ccc(Cl)s1 ZINC000006010850 181306020 /nfs/dbraw/zinc/30/60/20/181306020.db2.gz RMYLCYGMMSJACY-UHFFFAOYSA-N 0 0 302.782 4.816 10 0 DJAERN C[C@@H]1C[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)O1 ZINC000006031372 181306895 /nfs/dbraw/zinc/30/68/95/181306895.db2.gz QSAFSJAOPPHPTK-JLZZUVOBSA-N 0 0 300.785 4.543 10 0 in-man DJAERN Cc1ccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1C ZINC000006278121 181325672 /nfs/dbraw/zinc/32/56/72/181325672.db2.gz PCCLJDALADGKRV-SIHNGCNOSA-N 0 0 311.469 4.638 10 0 DJAERN CCCCCNc1nc(SC)nc2sc3c(c21)CCCC3 ZINC000006310128 181328625 /nfs/dbraw/zinc/32/86/25/181328625.db2.gz WAWXJCMKVPRBFB-UHFFFAOYSA-N 0 0 321.515 4.894 10 0 DJAERN Cc1c2ccccc2oc1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000006335659 181330753 /nfs/dbraw/zinc/33/07/53/181330753.db2.gz CMMUSJMGAHZZJX-LBPRGKRZSA-N 0 0 313.784 4.886 10 0 DJAERN O=C(Nc1ccccc1-n1cccc1)c1cccc2ccccc21 ZINC000006393508 181337355 /nfs/dbraw/zinc/33/73/55/181337355.db2.gz CXTDGZAUKWILOL-UHFFFAOYSA-N 0 0 312.372 4.883 10 0 DJAERN O=C(/C=C/c1ccccc1)Oc1ccccc1-c1ccccc1 ZINC000006594427 181359524 /nfs/dbraw/zinc/35/95/24/181359524.db2.gz VZMJREBPONTSEB-FOCLMDBBSA-N 0 0 300.357 4.972 10 0 DJAERN CCCCN(Cc1ccccc1)C(=O)c1ccc2ccccc2n1 ZINC000006670698 181368538 /nfs/dbraw/zinc/36/85/38/181368538.db2.gz YAMYVCVXXHQXQK-UHFFFAOYSA-N 0 0 318.420 4.677 10 0 DJAERN CC[C@]1(C)C[C@H](O)[C@H](C)[C@](C)(CC)N1O[C@H](C)c1ccccc1 ZINC000255969065 202912280 /nfs/dbraw/zinc/91/22/80/202912280.db2.gz DGSTWPUWTGYKAY-ZRSLWSEBSA-N 0 0 319.489 4.719 10 0 DJAERN Brc1cccc(-c2nc(-c3ccco3)cs2)c1 ZINC000095081721 193418516 /nfs/dbraw/zinc/41/85/16/193418516.db2.gz ITHBSYWFDRNJJF-UHFFFAOYSA-N 0 0 306.184 4.833 10 0 DJAERN c1cncc(-c2cc(-c3cccnc3)cc(-c3cccnc3)c2)c1 ZINC000095936476 193450788 /nfs/dbraw/zinc/45/07/88/193450788.db2.gz FGQUDGFWPWKPBC-UHFFFAOYSA-N 0 0 309.372 4.873 10 0 DJAERN Cc1ccc2c(cccc2C(=O)c2cccc3nc(C)ccc32)n1 ZINC000095938255 193450905 /nfs/dbraw/zinc/45/09/05/193450905.db2.gz CZPRPGSGTCPAIE-UHFFFAOYSA-N 0 0 312.372 4.631 10 0 DJAERN CCCOc1ccc(NC(=O)c2ccccc2OCCC)cc1 ZINC000008561068 181564501 /nfs/dbraw/zinc/56/45/01/181564501.db2.gz ZOXFYEPMPQHUKQ-UHFFFAOYSA-N 0 0 313.397 4.517 10 0 DJAERN C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)c1cccc(Cl)c1 ZINC000010386877 181668184 /nfs/dbraw/zinc/66/81/84/181668184.db2.gz AKZHKJJZBWFWTG-SNVBAGLBSA-N 0 0 316.813 4.580 10 0 DJAERN CCCOc1cccc(NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000010471462 181671971 /nfs/dbraw/zinc/67/19/71/181671971.db2.gz SXPKGOYRLPUMRD-UHFFFAOYSA-N 0 0 313.397 4.515 10 0 DJAERN Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1 ZINC000013531282 181858501 /nfs/dbraw/zinc/85/85/01/181858501.db2.gz SIOLNXSDRQRYLQ-UHFFFAOYSA-N 0 0 302.377 4.552 10 0 DJAERN COc1ccc(-c2noc(-c3ccc(OC)cc3)c2Cl)cc1 ZINC000013640846 181871751 /nfs/dbraw/zinc/87/17/51/181871751.db2.gz PDARXUWGEONCSJ-UHFFFAOYSA-N 0 0 315.756 4.679 10 0 DJAERN Fc1cccc(C2N(c3ccccc3)CCN2c2ccccc2)c1 ZINC000014015137 181919874 /nfs/dbraw/zinc/91/98/74/181919874.db2.gz VIGNSCLZHNYNHR-UHFFFAOYSA-N 0 0 318.395 4.851 10 0 DJAERN O=C(Nc1ccc(OCCc2ccccc2)cc1)C1CCCCC1 ZINC000014668840 181964787 /nfs/dbraw/zinc/96/47/87/181964787.db2.gz MHMKMCGROWDSIW-UHFFFAOYSA-N 0 0 323.436 4.827 10 0 DJAERN O=Cc1cn(Cc2cc(Cl)ccc2Cl)c2ccccc12 ZINC000015230589 181992952 /nfs/dbraw/zinc/99/29/52/181992952.db2.gz RXJPCRFPQOHLTD-UHFFFAOYSA-N 0 0 304.176 4.809 10 0 DJAERN COc1ccccc1NC(=O)c1ccccc1Cc1ccccc1 ZINC000016030731 182030147 /nfs/dbraw/zinc/03/01/47/182030147.db2.gz JGRUWEQBPNYMMA-UHFFFAOYSA-N 0 0 317.388 4.538 10 0 DJAERN CCOc1ccc(CC(=O)Nc2ccccc2[C@@H](C)CC)cc1 ZINC000015964390 182026540 /nfs/dbraw/zinc/02/65/40/182026540.db2.gz QMMGWFLRFMZIDO-HNNXBMFYSA-N 0 0 311.425 4.780 10 0 DJAERN Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc[nH]2)cc1 ZINC000016292945 182039391 /nfs/dbraw/zinc/03/93/91/182039391.db2.gz KFXBONZYYDFOMX-UHFFFAOYSA-N 0 0 317.436 4.657 10 0 DJAERN CCSc1ccc(N2C(=O)CSC23CCCCC3)cc1 ZINC000016693647 182058310 /nfs/dbraw/zinc/05/83/10/182058310.db2.gz MLZVTUMDZIBGGJ-UHFFFAOYSA-N 0 0 307.484 4.539 10 0 DJAERN C[C@H](NC(=O)Nc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000018174647 182096383 /nfs/dbraw/zinc/09/63/83/182096383.db2.gz NHNKTXHZHICASF-JTQLQIEISA-N 0 0 309.196 4.876 10 0 DJAERN FC(F)(F)c1cccnc1Oc1ccccc1Br ZINC000019478618 182125148 /nfs/dbraw/zinc/12/51/48/182125148.db2.gz IVZKBAFUIAOIAD-UHFFFAOYSA-N 0 0 318.092 4.655 10 0 DJAERN COc1ccc([C@@H](C)Nc2ccc(Br)cc2F)cc1 ZINC000019908008 182162960 /nfs/dbraw/zinc/16/29/60/182162960.db2.gz IEWKGJZHTNCDJG-SNVBAGLBSA-N 0 0 324.193 4.770 10 0 DJAERN Brc1cccc(CNc2cccc3ncccc32)c1 ZINC000019906767 182162982 /nfs/dbraw/zinc/16/29/82/182162982.db2.gz YNRLTUIZAPVBSR-UHFFFAOYSA-N 0 0 313.198 4.609 10 0 DJAERN CC[C@@H](Nc1ccc(Br)cc1F)c1ccc(O)cc1 ZINC000019908021 182163099 /nfs/dbraw/zinc/16/30/99/182163099.db2.gz QXVHXZXWHBENJR-CQSZACIVSA-N 0 0 324.193 4.857 10 0 DJAERN COc1ccc([C@H](C)Nc2ccc(Br)c(C)c2)cc1 ZINC000019908120 182163111 /nfs/dbraw/zinc/16/31/11/182163111.db2.gz HRSFSSIXBOYFMF-LBPRGKRZSA-N 0 0 320.230 4.939 10 0 DJAERN COc1ccccc1[C@@H](C)Nc1ccc(Br)cc1F ZINC000019907982 182163216 /nfs/dbraw/zinc/16/32/16/182163216.db2.gz UYWGRGHUVORLDW-SNVBAGLBSA-N 0 0 324.193 4.770 10 0 DJAERN C[C@H](CCc1ccc(O)cc1)Nc1ccccc1Br ZINC000019922766 182164578 /nfs/dbraw/zinc/16/45/78/182164578.db2.gz MJMLGORJTAZRGP-GFCCVEGCSA-N 0 0 320.230 4.588 10 0 DJAERN C[C@@H](Nc1ccccc1Br)c1c(F)cccc1F ZINC000019922621 182164662 /nfs/dbraw/zinc/16/46/62/182164662.db2.gz RGHGERJPXIQLTH-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN C[C@@H](CCc1ccc(O)cc1)Nc1ccccc1Br ZINC000019922763 182164667 /nfs/dbraw/zinc/16/46/67/182164667.db2.gz MJMLGORJTAZRGP-LBPRGKRZSA-N 0 0 320.230 4.588 10 0 DJAERN C[C@H](CCc1ccc(O)cc1)Nc1ccc(Br)cc1 ZINC000019923179 182164988 /nfs/dbraw/zinc/16/49/88/182164988.db2.gz XDRQBCLBYPWLPM-GFCCVEGCSA-N 0 0 320.230 4.588 10 0 DJAERN CC(=O)c1cc(F)ccc1Oc1cccc(Br)c1 ZINC000019871537 182158882 /nfs/dbraw/zinc/15/88/82/182158882.db2.gz WJVFCGPCYJVSJN-UHFFFAOYSA-N 0 0 309.134 4.583 10 0 DJAERN Cc1ccc(Cl)cc1NCc1ccc(Br)o1 ZINC000019875275 182159343 /nfs/dbraw/zinc/15/93/43/182159343.db2.gz XMPCDKWRXLBPBD-UHFFFAOYSA-N 0 0 300.583 4.616 10 0 DJAERN COc1cccc(-c2cn3c(-c4ccccc4)csc3n2)c1 ZINC000019976273 182172377 /nfs/dbraw/zinc/17/23/77/182172377.db2.gz OGVIBWYXHRNAFQ-UHFFFAOYSA-N 0 0 306.390 4.738 10 0 DJAERN Cc1ccc(NC[C@@H](C)c2ccccc2)c(Br)c1 ZINC000019982086 182172962 /nfs/dbraw/zinc/17/29/62/182172962.db2.gz ZFQXTQFIWUWEPR-CYBMUJFWSA-N 0 0 304.231 4.973 10 0 DJAERN COc1cc([C@H](C)Nc2cc(Cl)ccc2Cl)ccc1O ZINC000019996747 182175470 /nfs/dbraw/zinc/17/54/70/182175470.db2.gz PPLQZSQWJABLPJ-VIFPVBQESA-N 0 0 312.196 4.881 10 0 DJAERN C[C@@H](CNc1ccc(Br)cc1F)c1ccccc1 ZINC000020013145 182177667 /nfs/dbraw/zinc/17/76/67/182177667.db2.gz BJOLUBJDWRZHTH-NSHDSACASA-N 0 0 308.194 4.804 10 0 DJAERN COc1ccc(Cl)cc1N[C@H](C)c1cc(C)ccc1OC ZINC000020015653 182178331 /nfs/dbraw/zinc/17/83/31/182178331.db2.gz RYYLGIQZAQYODE-GFCCVEGCSA-N 0 0 305.805 4.839 10 0 DJAERN COc1ccc(NCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000020014297 182178580 /nfs/dbraw/zinc/17/85/80/182178580.db2.gz DNSWXWDDJKUFGZ-UHFFFAOYSA-N 0 0 312.196 4.623 10 0 DJAERN C[C@H](Nc1cc(C(F)(F)F)ccc1Cl)c1cccnc1 ZINC000020020176 182179148 /nfs/dbraw/zinc/17/91/48/182179148.db2.gz UEBYKPZPJBTWDL-VIFPVBQESA-N 0 0 300.711 4.927 10 0 DJAERN Cc1nc([C@H](C)Nc2ccccc2Br)c(C)s1 ZINC000020090266 182185934 /nfs/dbraw/zinc/18/59/34/182185934.db2.gz CBCDGBJAPARFRS-QMMMGPOBSA-N 0 0 311.248 4.696 10 0 DJAERN Brc1cccc(CNc2ccc3[nH]ccc3c2)c1 ZINC000020132238 182190602 /nfs/dbraw/zinc/19/06/02/182190602.db2.gz DSDDZKKKWPNKHJ-UHFFFAOYSA-N 0 0 301.187 4.543 10 0 DJAERN CC(=O)c1ccc(Oc2ccc(C)cc2Br)c(F)c1 ZINC000020077931 182184938 /nfs/dbraw/zinc/18/49/38/182184938.db2.gz DDFPDWCXIJNDPN-UHFFFAOYSA-N 0 0 323.161 4.892 10 0 DJAERN COc1ccc2c(C)c(C(=O)c3ccccc3Cl)oc2c1 ZINC000020298895 182203943 /nfs/dbraw/zinc/20/39/43/182203943.db2.gz ZSGSVSJYXLBUQF-UHFFFAOYSA-N 0 0 300.741 4.634 10 0 DJAERN C[C@H]1C[C@@H]1c1ccc(CNc2ccc(F)cc2Br)o1 ZINC000020430569 182216294 /nfs/dbraw/zinc/21/62/94/182216294.db2.gz QBOVSKGXLFBVTN-CABZTGNLSA-N 0 0 324.193 4.917 10 0 DJAERN C[C@@H](Nc1ccc(F)cc1Br)c1ccccc1F ZINC000020430515 182216615 /nfs/dbraw/zinc/21/66/15/182216615.db2.gz QBHFCLCDXQAPHW-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN CCOc1ccc([C@H](N)c2cc3cc(Cl)ccc3o2)cc1 ZINC000020592833 182235896 /nfs/dbraw/zinc/23/58/96/182235896.db2.gz WWTRUNDQOQPRJS-KRWDZBQOSA-N 0 0 301.773 4.533 10 0 DJAERN CCCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000021142231 182266688 /nfs/dbraw/zinc/26/66/88/182266688.db2.gz ZGEXXUJTRAVRHL-UHFFFAOYSA-N 0 0 313.788 4.622 10 0 DJAERN Brc1ccccc1N[C@@H]1CCCc2ccccc21 ZINC000021817036 182292728 /nfs/dbraw/zinc/29/27/28/182292728.db2.gz RZTYEERPTWRDIV-OAHLLOKOSA-N 0 0 302.215 4.939 10 0 DJAERN Nc1ccc(Cc2nc(-c3ccccc3)cs2)c(Cl)c1 ZINC000021987271 182302415 /nfs/dbraw/zinc/30/24/15/182302415.db2.gz GOJDUTVJOOAZKJ-UHFFFAOYSA-N 0 0 300.814 4.637 10 0 DJAERN CN(C)C(=O)c1ccc(CSc2ccc3ccccc3c2)cc1 ZINC000098068502 193781257 /nfs/dbraw/zinc/78/12/57/193781257.db2.gz OBDHAHCAKLUHTM-UHFFFAOYSA-N 0 0 321.445 4.834 10 0 DJAERN CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](O)C[C@@H]21 ZINC000027846266 182492874 /nfs/dbraw/zinc/49/28/74/182492874.db2.gz AAIHVZNCFQTVCA-BZUAXINKSA-N 0 0 318.457 4.541 10 0 DJAERN COc1c(C[C@H](O)c2ccccc2)cccc1-c1ccccc1 ZINC000098177874 193791150 /nfs/dbraw/zinc/79/11/50/193791150.db2.gz OWFLTRZVWDNOFJ-FQEVSTJZSA-N 0 0 304.389 4.638 10 0 DJAERN Cc1cccc(-c2c(Cl)nc(C)nc2NC2CCCC2)c1 ZINC000028824756 182540834 /nfs/dbraw/zinc/54/08/34/182540834.db2.gz DPJFQRYCYDSYMQ-UHFFFAOYSA-N 0 0 301.821 4.768 10 0 DJAERN Fc1ccc(Br)cc1NC1C2CC3CC(C2)CC1C3 ZINC000036813716 182844517 /nfs/dbraw/zinc/84/45/17/182844517.db2.gz SWXINYAADSYXFE-UHFFFAOYSA-N 0 0 324.237 4.825 10 0 DJAERN Fc1ccc(NC2C3CC4CC(C3)CC2C4)c(Br)c1 ZINC000036813665 182844650 /nfs/dbraw/zinc/84/46/50/182844650.db2.gz JCICCKTYPBQTIU-UHFFFAOYSA-N 0 0 324.237 4.825 10 0 DJAERN Cc1cc(Br)ccc1NCc1cc(F)ccc1F ZINC000037228279 182874271 /nfs/dbraw/zinc/87/42/71/182874271.db2.gz SUYWXSIHNOLSTC-UHFFFAOYSA-N 0 0 312.157 4.648 10 0 DJAERN COc1cc(Br)cc(C)c1N[C@@H](C)c1ccco1 ZINC000037776694 182924685 /nfs/dbraw/zinc/92/46/85/182924685.db2.gz RQVZNHPHBIUDOF-JTQLQIEISA-N 0 0 310.191 4.532 10 0 DJAERN COc1cc(Br)cc(C)c1N[C@H](C)c1ccc(C)o1 ZINC000037776763 182925089 /nfs/dbraw/zinc/92/50/89/182925089.db2.gz CVGWLRLLWNIVDY-LLVKDONJSA-N 0 0 324.218 4.841 10 0 DJAERN Clc1nsnc1Oc1ccc(OCc2ccccc2)cc1 ZINC000037981640 182951467 /nfs/dbraw/zinc/95/14/67/182951467.db2.gz ZMFRSUCQYGOGFZ-UHFFFAOYSA-N 0 0 318.785 4.563 10 0 DJAERN CCc1ccc2oc(C(=O)Nc3ccc(OC)cc3)c(C)c2c1 ZINC000040037305 183029388 /nfs/dbraw/zinc/02/93/88/183029388.db2.gz GSVMYCDHYAOWQO-UHFFFAOYSA-N 0 0 309.365 4.565 10 0 DJAERN Cc1ccc(-c2ccc(C(=O)C(Cl)(Cl)Cl)[nH]2)cc1 ZINC000039321150 183016134 /nfs/dbraw/zinc/01/61/34/183016134.db2.gz YWBCPPYMGZLOKJ-UHFFFAOYSA-N 0 0 302.588 4.543 10 0 DJAERN FC(F)(F)c1cccc2c(N3CCc4ccccc43)ccnc21 ZINC000039963834 183025539 /nfs/dbraw/zinc/02/55/39/183025539.db2.gz DCYMFIZNKVEHAN-UHFFFAOYSA-N 0 0 314.310 4.948 10 0 DJAERN CC(C)OC(=O)c1ccc(Nc2ccnc3c(F)cccc23)cc1 ZINC000039963760 183025883 /nfs/dbraw/zinc/02/58/83/183025883.db2.gz DUAXLSQKFWNKBF-UHFFFAOYSA-N 0 0 324.355 4.683 10 0 DJAERN Cc1cc(C)c2nc(C)cc(NC(=O)CCc3ccccc3)c2c1 ZINC000040177068 183044061 /nfs/dbraw/zinc/04/40/61/183044061.db2.gz LBFCXPQCDPFNCB-UHFFFAOYSA-N 0 0 318.420 4.731 10 0 DJAERN Cc1cc2ncn(CCCOc3ccccc3Cl)c2cc1C ZINC000040224084 183046963 /nfs/dbraw/zinc/04/69/63/183046963.db2.gz FXSKEQLLYCYXNW-UHFFFAOYSA-N 0 0 314.816 4.776 10 0 DJAERN CCc1nc2ccccc2n1CCCOc1ccccc1Cl ZINC000040227405 183047582 /nfs/dbraw/zinc/04/75/82/183047582.db2.gz ZLWFKGJTIFODLL-UHFFFAOYSA-N 0 0 314.816 4.721 10 0 DJAERN CCc1nc2ccccc2n1CCOc1ccccc1C(C)C ZINC000040227349 183048150 /nfs/dbraw/zinc/04/81/50/183048150.db2.gz KKQNOQKSFULDGG-UHFFFAOYSA-N 0 0 308.425 4.801 10 0 DJAERN O=C(Cn1c2ccccc2nc1-c1cccs1)c1ccccc1 ZINC000040239200 183048543 /nfs/dbraw/zinc/04/85/43/183048543.db2.gz QVULJXWCXAWCJM-UHFFFAOYSA-N 0 0 318.401 4.648 10 0 DJAERN C[C@H](Oc1ccccc1N)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000040352595 183056180 /nfs/dbraw/zinc/05/61/80/183056180.db2.gz VILUCUZUSAOXIK-HNNXBMFYSA-N 0 0 317.388 4.586 10 0 DJAERN CCc1ccc(-c2cn3cc(Br)c(C)cc3n2)cc1 ZINC000040383955 183059193 /nfs/dbraw/zinc/05/91/93/183059193.db2.gz WKQQMPSDJDDULQ-UHFFFAOYSA-N 0 0 315.214 4.635 10 0 DJAERN COc1ccc(-c2cn3cc(Cl)c(C)c(Cl)c3n2)cc1 ZINC000040383862 183059469 /nfs/dbraw/zinc/05/94/69/183059469.db2.gz CJZXJIXKGWNGSE-UHFFFAOYSA-N 0 0 307.180 4.625 10 0 DJAERN Cc1ccc(-c2cn3cc(Br)c(C)cc3n2)c(C)c1 ZINC000040383964 183059636 /nfs/dbraw/zinc/05/96/36/183059636.db2.gz YKDWAZFQIADAFK-UHFFFAOYSA-N 0 0 315.214 4.689 10 0 DJAERN COCCCn1c2ccc(Cl)cc2nc1-c1ccccc1C ZINC000040402844 183061252 /nfs/dbraw/zinc/06/12/52/183061252.db2.gz TZOBOIQOQMTPFC-UHFFFAOYSA-N 0 0 314.816 4.702 10 0 DJAERN COCCCn1c2cc(Cl)ccc2nc1-c1cccc(C)c1 ZINC000040402850 183061750 /nfs/dbraw/zinc/06/17/50/183061750.db2.gz STOAZNAFSDFDRG-UHFFFAOYSA-N 0 0 314.816 4.702 10 0 DJAERN CCOCCn1c2ccc(Cl)cc2nc1C1CCCCC1 ZINC000040405133 183062420 /nfs/dbraw/zinc/06/24/20/183062420.db2.gz FSKAMCRWHPZKEU-UHFFFAOYSA-N 0 0 306.837 4.774 10 0 DJAERN Cc1cccc(C(C)C)c1NC(=S)NC(=O)C1CCCCC1 ZINC000040898724 183147325 /nfs/dbraw/zinc/14/73/25/183147325.db2.gz UNOWGQFZTWSKEW-UHFFFAOYSA-N 0 0 318.486 4.512 10 0 DJAERN CCOc1ccccc1-c1cn2nc(C(CC)CC)sc2n1 ZINC000040963852 183152134 /nfs/dbraw/zinc/15/21/34/183152134.db2.gz VNXQURKLHAFIEJ-UHFFFAOYSA-N 0 0 315.442 4.760 10 0 DJAERN CCOc1ccc2c(c1)sc1nc(-c3ccccc3OC)cn21 ZINC000040964355 183152222 /nfs/dbraw/zinc/15/22/22/183152222.db2.gz REWJBPPYJABJJL-UHFFFAOYSA-N 0 0 324.405 4.623 10 0 DJAERN CC(C)c1nn2cc(-c3ccc(Cl)c(Cl)c3)nc2s1 ZINC000040963601 183152378 /nfs/dbraw/zinc/15/23/78/183152378.db2.gz PDARKIVEVRUFJB-UHFFFAOYSA-N 0 0 312.225 4.888 10 0 DJAERN Cc1ccc(C(=O)CNc2nc3c(ccc(C)c3C)s2)cc1 ZINC000040978415 183154521 /nfs/dbraw/zinc/15/45/21/183154521.db2.gz HANDAYKMZBWFGG-UHFFFAOYSA-N 0 0 310.422 4.516 10 0 DJAERN COc1ccc(OC)c(Nc2ccnc3c(C)cc(C)cc23)c1 ZINC000041054949 183159390 /nfs/dbraw/zinc/15/93/90/183159390.db2.gz GCRPYENAMISMLU-UHFFFAOYSA-N 0 0 308.381 4.612 10 0 DJAERN O=C(Nc1ccnc2cc(Cl)ccc21)c1ccc(Cl)cc1 ZINC000041057766 183161087 /nfs/dbraw/zinc/16/10/87/183161087.db2.gz JHSSTUTZJCIAFT-UHFFFAOYSA-N 0 0 317.175 4.794 10 0 DJAERN Clc1cccc(Oc2ncccc2Br)c1Cl ZINC000042376442 183261307 /nfs/dbraw/zinc/26/13/07/183261307.db2.gz GZKZJUJREUUEIC-UHFFFAOYSA-N 0 0 318.985 4.943 10 0 DJAERN Clc1ccccc1COCc1sccc1Br ZINC000043679350 183379518 /nfs/dbraw/zinc/37/95/18/183379518.db2.gz YQWPTSKEYDDSFS-UHFFFAOYSA-N 0 0 317.635 4.881 10 0 DJAERN Cc1cc(N)ccc1SCc1cc(Br)cs1 ZINC000043687597 183381385 /nfs/dbraw/zinc/38/13/85/183381385.db2.gz QTNNJPXLVIHALR-UHFFFAOYSA-N 0 0 314.273 4.694 10 0 DJAERN Cc1cccc(C)c1NC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105350646 194099141 /nfs/dbraw/zinc/09/91/41/194099141.db2.gz KUORDLFMJYROQE-UHFFFAOYSA-N 0 0 312.413 4.873 10 0 DJAERN Cc1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000110307286 194321913 /nfs/dbraw/zinc/32/19/13/194321913.db2.gz IRKHEIJIVFBFGP-UHFFFAOYSA-N 0 0 311.606 4.990 10 0 DJAERN Brc1ccccc1SCCNc1ccccc1 ZINC000053621510 183908261 /nfs/dbraw/zinc/90/82/61/183908261.db2.gz QKDUCJWAGWQUSD-UHFFFAOYSA-N 0 0 308.244 4.653 10 0 DJAERN CCc1ccc2oc(C(=O)Nc3ccc(N(C)C)cc3)c(C)c2c1 ZINC000054644873 183947293 /nfs/dbraw/zinc/94/72/93/183947293.db2.gz AONIFXDQEKNKAC-UHFFFAOYSA-N 0 0 322.408 4.622 10 0 DJAERN O[C@H](Cc1c(Cl)cccc1Cl)c1ccc(F)cc1F ZINC000055238696 183972988 /nfs/dbraw/zinc/97/29/88/183972988.db2.gz ZJFINCIDHZOBKF-CQSZACIVSA-N 0 0 303.135 4.548 10 0 DJAERN Nc1cccc(-c2csc(Cc3c(F)cccc3Cl)n2)c1 ZINC000057903359 184061633 /nfs/dbraw/zinc/06/16/33/184061633.db2.gz JKDUHUXWQDTWRN-UHFFFAOYSA-N 0 0 318.804 4.776 10 0 DJAERN CC(C)c1cccc(NCc2ccc(O)c(Br)c2)c1 ZINC000057998094 184065942 /nfs/dbraw/zinc/06/59/42/184065942.db2.gz DKNKSMBLKOYGOK-UHFFFAOYSA-N 0 0 320.230 4.890 10 0 DJAERN COC(C)(C)C[C@H](C)Nc1cc(Br)ccc1Cl ZINC000061690831 184182957 /nfs/dbraw/zinc/18/29/57/184182957.db2.gz UMYMEJJENXWUMJ-VIFPVBQESA-N 0 0 320.658 4.718 10 0 DJAERN CCN(c1ccccc1)c1ccc([C@@H](C)O)cc1Br ZINC000061694934 184183480 /nfs/dbraw/zinc/18/34/80/184183480.db2.gz IJEUDTZXQFOJHL-GFCCVEGCSA-N 0 0 320.230 4.660 10 0 DJAERN OCc1cc(F)c(Oc2cc(Cl)ccc2Cl)c(F)c1 ZINC000062722544 184250722 /nfs/dbraw/zinc/25/07/22/184250722.db2.gz SKBHZWCEUJDISL-UHFFFAOYSA-N 0 0 305.107 4.556 10 0 DJAERN Nc1ccc2nc(Oc3cccc(Cl)c3Cl)sc2c1 ZINC000063104970 184271151 /nfs/dbraw/zinc/27/11/51/184271151.db2.gz RRPXPDCTRMWJDT-UHFFFAOYSA-N 0 0 311.193 4.978 10 0 DJAERN CC(C)c1ccc(C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000065005188 184308683 /nfs/dbraw/zinc/30/86/83/184308683.db2.gz DNWFXOLLGAUICD-UHFFFAOYSA-N 0 0 314.385 4.811 10 0 DJAERN COc1cc([C@@H](C)Nc2cccc(-c3cnco3)c2)ccc1F ZINC000128601677 195977594 /nfs/dbraw/zinc/97/75/94/195977594.db2.gz GQMOQGQUEOPMEL-GFCCVEGCSA-N 0 0 312.344 4.662 10 0 DJAERN FC(F)(F)c1cc(Br)c2cccc(Cl)c2n1 ZINC000038440688 331675721 /nfs/dbraw/zinc/67/57/21/331675721.db2.gz ZEXFUTKZNOQJSQ-UHFFFAOYSA-N 0 0 310.500 4.670 10 0 DJAERN C[C@@H](Nc1cc(C(F)(F)F)ccn1)c1cccc(Cl)c1 ZINC000090803065 332034730 /nfs/dbraw/zinc/03/47/30/332034730.db2.gz RDGVHDQQMWHUJQ-SECBINFHSA-N 0 0 300.711 4.927 10 0 DJAERN Cc1noc(C)c1CN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000092329113 332125829 /nfs/dbraw/zinc/12/58/29/332125829.db2.gz AOADPUUALVESFV-MRVPVSSYSA-N 0 0 317.191 4.588 10 0 DJAERN C[C@H](Nc1cc(Cl)cc(C(F)(F)F)c1)c1cncs1 ZINC000168984787 332607672 /nfs/dbraw/zinc/60/76/72/332607672.db2.gz ANUCPLLJRKYVPO-ZETCQYMHSA-N 0 0 306.740 4.988 10 0 DJAERN C[C@@H](NC(=O)N[C@H](C)c1cccc(Cl)c1)c1cccs1 ZINC000026245992 332621851 /nfs/dbraw/zinc/62/18/51/332621851.db2.gz AXPUFPCOMGMPSX-GHMZBOCLSA-N 0 0 308.834 4.523 10 0 DJAERN C[C@H](C(=O)N1CCC[C@H]1c1ccco1)c1ccc2ccccc2c1 ZINC000177271703 332980032 /nfs/dbraw/zinc/98/00/32/332980032.db2.gz SNZLWFUNTYZMGD-KXBFYZLASA-N 0 0 319.404 4.900 10 0 DJAERN CC(C)c1ccc(CCC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116042960 335876604 /nfs/dbraw/zinc/87/66/04/335876604.db2.gz WOBBGKVCNKIBRW-SFHVURJKSA-N 0 0 311.425 4.699 10 0 DJAERN C[C@@H](NC(=O)N1CCC[C@H]1c1ccco1)c1ccccc1Cl ZINC000116413453 335893535 /nfs/dbraw/zinc/89/35/35/335893535.db2.gz DQZVBQLEPNLPNA-DOMZBBRYSA-N 0 0 318.804 4.541 10 0 DJAERN C[C@@H](CC(=O)N1CCCC1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000102920164 335931386 /nfs/dbraw/zinc/93/13/86/335931386.db2.gz FLJWKZNAJUOVQR-LBPRGKRZSA-N 0 0 313.363 4.600 10 0 DJAERN C[C@H](Nc1ncccc1C(F)(F)F)c1ccccc1Cl ZINC000042374318 336239906 /nfs/dbraw/zinc/23/99/06/336239906.db2.gz GSKGDXDPQGADBH-VIFPVBQESA-N 0 0 300.711 4.927 10 0 DJAERN Cc1ccc([C@H]2C[C@@H](C)CCN2c2ncnc3ccccc32)o1 ZINC000301465672 336308590 /nfs/dbraw/zinc/30/85/90/336308590.db2.gz XCRZRQDBRUGDOY-SUMWQHHRSA-N 0 0 307.397 4.509 10 0 DJAERN FC(F)(F)c1cccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000301502103 336310894 /nfs/dbraw/zinc/31/08/94/336310894.db2.gz FJTWMGZFFXXJSM-IUCAKERBSA-N 0 0 312.257 4.633 10 0 DJAERN CCc1cnc([C@H](C)Nc2ncnc3c4ccccc4oc32)s1 ZINC000301520853 336312139 /nfs/dbraw/zinc/31/21/39/336312139.db2.gz DEFOQZMEHLUURK-JTQLQIEISA-N 0 0 324.409 4.568 10 0 DJAERN CC(C)(C)[C@@H](Nc1nccc(C(F)(F)F)n1)c1cccs1 ZINC000301535665 336313048 /nfs/dbraw/zinc/31/30/48/336313048.db2.gz AGLOAHYWHWYPNS-NSHDSACASA-N 0 0 315.364 4.756 10 0 DJAERN CC(=O)c1c(F)cccc1N[C@H](C)c1csc(C(C)C)n1 ZINC000301573905 336315934 /nfs/dbraw/zinc/31/59/34/336315934.db2.gz NBJKVJWCCBOXCH-SNVBAGLBSA-N 0 0 306.406 4.781 10 0 DJAERN c1nc(N[C@@H]2CCOc3ccccc32)sc1-c1ccccc1 ZINC000301595679 336317239 /nfs/dbraw/zinc/31/72/39/336317239.db2.gz RWTJQLDASCPURI-OAHLLOKOSA-N 0 0 308.406 4.746 10 0 DJAERN Fc1ccc(-c2csc(N3CCC[C@H]3c3ccco3)n2)cc1 ZINC000301605365 336317805 /nfs/dbraw/zinc/31/78/05/336317805.db2.gz MHBHGTPRMDAUBT-HNNXBMFYSA-N 0 0 314.385 4.884 10 0 DJAERN Cc1ccc([C@H]2C[C@H](C)CCN2c2nc(C(C)C)ns2)o1 ZINC000301968712 336340454 /nfs/dbraw/zinc/34/04/54/336340454.db2.gz YWYZXXVNQQUUIE-DGCLKSJQSA-N 0 0 305.447 4.541 10 0 DJAERN C[C@@H](Nc1nnc(-c2ccccc2Cl)s1)c1ccco1 ZINC000302154460 336351184 /nfs/dbraw/zinc/35/11/84/336351184.db2.gz LWOXPKPYUBDWLI-SECBINFHSA-N 0 0 305.790 4.625 10 0 DJAERN Clc1cncnc1Oc1ccc(NC2CCCCC2)cc1 ZINC000302645708 336363434 /nfs/dbraw/zinc/36/34/34/336363434.db2.gz MDGHGNWXNIBAQB-UHFFFAOYSA-N 0 0 303.793 4.667 10 0 DJAERN Cc1cc2c(ccnc2N[C@H](C)c2csc(C(C)C)n2)o1 ZINC000302731241 336366985 /nfs/dbraw/zinc/36/69/85/336366985.db2.gz MGBHKKYAZCUMLK-LLVKDONJSA-N 0 0 301.415 4.889 10 0 DJAERN FC(F)(F)c1cnc(N[C@@H]2CCSc3ccccc32)s1 ZINC000302792983 336369353 /nfs/dbraw/zinc/36/93/53/336369353.db2.gz ZVQGNUBBEZSMEN-SECBINFHSA-N 0 0 316.373 4.811 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(C(F)F)c2)o1 ZINC000172666858 337129385 /nfs/dbraw/zinc/12/93/85/337129385.db2.gz RJBALHAYCDDVSU-HNNXBMFYSA-N 0 0 319.351 4.893 10 0 DJAERN C[C@@H](c1ccco1)N(C)Cc1ncc(-c2ccccc2Cl)o1 ZINC000173583156 337136669 /nfs/dbraw/zinc/13/66/69/337136669.db2.gz WCMFTYKRTSBICY-LBPRGKRZSA-N 0 0 316.788 4.781 10 0 DJAERN O=C(CC1CCCCCC1)N1CCCC[C@@H]1c1nccs1 ZINC000176222353 337149754 /nfs/dbraw/zinc/14/97/54/337149754.db2.gz KISYYVVOINULNS-OAHLLOKOSA-N 0 0 306.475 4.557 10 0 DJAERN CC[C@@H](N[C@@H]1CCOc2ccccc21)c1cc(F)ccc1F ZINC000178273268 337161886 /nfs/dbraw/zinc/16/18/86/337161886.db2.gz OUQZNGLAUNJWOB-IAGOWNOFSA-N 0 0 303.352 4.529 10 0 DJAERN Fc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)CC2 ZINC000178610769 337165521 /nfs/dbraw/zinc/16/55/21/337165521.db2.gz LXTZKLUWUUDQKG-SFTDATJTSA-N 0 0 318.395 4.587 10 0 DJAERN C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1ccc(Cl)nc1 ZINC000179119939 337167875 /nfs/dbraw/zinc/16/78/75/337167875.db2.gz FNEYIKPBTBFTPZ-IFXJQAMLSA-N 0 0 323.827 4.570 10 0 DJAERN CC[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1OC ZINC000179810118 337171853 /nfs/dbraw/zinc/17/18/53/337171853.db2.gz USHSHSUHZZVICY-QGZVFWFLSA-N 0 0 324.424 4.533 10 0 DJAERN C[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000180849187 337178085 /nfs/dbraw/zinc/17/80/85/337178085.db2.gz KVJXMKCSBTWVQC-FUHWJXTLSA-N 0 0 311.425 4.602 10 0 DJAERN CC(C)C[C@@H](Nc1cccc(-c2cnco2)c1)c1ccccn1 ZINC000182830544 337188559 /nfs/dbraw/zinc/18/85/59/337188559.db2.gz DXUWWEUHYHSWBL-GOSISDBHSA-N 0 0 307.397 4.936 10 0 DJAERN CCC1(C(=O)N2CCC(c3nc(C)cs3)CC2)CCCCC1 ZINC000184147817 337196499 /nfs/dbraw/zinc/19/64/99/337196499.db2.gz KZXYMDQRIMRXQA-UHFFFAOYSA-N 0 0 320.502 4.518 10 0 DJAERN CC[C@@H](N[C@@H](C)c1nc(-c2ccccc2)no1)c1cccs1 ZINC000184043984 337196947 /nfs/dbraw/zinc/19/69/47/337196947.db2.gz AOUXEGQQRCTQDJ-GXTWGEPZSA-N 0 0 313.426 4.600 10 0 DJAERN CSCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000184823393 337200421 /nfs/dbraw/zinc/20/04/21/337200421.db2.gz NEDGRLJHICZJTO-OAHLLOKOSA-N 0 0 316.426 4.512 10 0 DJAERN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1cccc(Cl)c1 ZINC000185823903 337250608 /nfs/dbraw/zinc/25/06/08/337250608.db2.gz ZILGLJSPIACETE-AWEZNQCLSA-N 0 0 323.827 4.648 10 0 DJAERN Cc1ccc([C@@H](C)NCc2ncc(-c3ccccc3)cn2)c(C)c1 ZINC000186058722 337253259 /nfs/dbraw/zinc/25/32/59/337253259.db2.gz BWAWJKBIUDDLMV-QGZVFWFLSA-N 0 0 317.436 4.611 10 0 DJAERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc(Cl)s1 ZINC000186525523 337257267 /nfs/dbraw/zinc/25/72/67/337257267.db2.gz MYLMTVWBPKAFNT-VIFPVBQESA-N 0 0 321.833 4.552 10 0 DJAERN Cc1nc([C@@H]2CCCN2C(=O)C[C@@H](C)C2CCCCC2)cs1 ZINC000187105123 337262614 /nfs/dbraw/zinc/26/26/14/337262614.db2.gz UZFBQRXEJOHYTC-DYVFJYSZSA-N 0 0 320.502 4.722 10 0 DJAERN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1csc(Cl)c1 ZINC000191477430 337297238 /nfs/dbraw/zinc/29/72/38/337297238.db2.gz KUKOLUBAYIOUPX-SNVBAGLBSA-N 0 0 320.845 4.849 10 0 DJAERN Cc1c([C@@H](C)Nc2cccc(-c3cnco3)c2)cnn1C(C)C ZINC000191472050 337297265 /nfs/dbraw/zinc/29/72/65/337297265.db2.gz VMYNMOBHUNCGSR-CYBMUJFWSA-N 0 0 310.401 4.601 10 0 DJAERN CSc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000584602474 337371059 /nfs/dbraw/zinc/37/10/59/337371059.db2.gz LGRZLOREAOXTMU-VXNCWWDNSA-N 0 0 300.467 4.834 10 0 DJAERN CC(C)Oc1c(F)c(-c2ccc(F)cc2)c(Cl)cc1C=O ZINC000584611989 337372286 /nfs/dbraw/zinc/37/22/86/337372286.db2.gz ZROWUHXMCWNJKL-UHFFFAOYSA-N 0 0 310.727 4.885 10 0 DJAERN O=Cc1ccc(OCCCCCc2ccccc2)c2c1CCC2 ZINC000584618510 337373230 /nfs/dbraw/zinc/37/32/30/337373230.db2.gz KJIXGINDFGDVEL-UHFFFAOYSA-N 0 0 308.421 4.780 10 0 DJAERN COc1cc(OC)cc([C@H](C)[C@H](C)Cc2ccc(F)cc2)c1 ZINC000584593133 337373645 /nfs/dbraw/zinc/37/36/45/337373645.db2.gz UILNVJJEEZZRRG-ZIAGYGMSSA-N 0 0 302.389 4.825 10 0 DJAERN CCCCCC[C@@H](C)OC(=S)Cc1ccc(O)c(OC)c1 ZINC000584595158 337373974 /nfs/dbraw/zinc/37/39/74/337373974.db2.gz XEDKNGCZVWOLLF-CYBMUJFWSA-N 0 0 310.459 4.646 10 0 DJAERN c1cn2cnc3oc(-c4ccccc4)c(-c4ccccc4)c3c2n1 ZINC000584654790 337377864 /nfs/dbraw/zinc/37/78/64/337377864.db2.gz AJYZVGLUAOBPDY-UHFFFAOYSA-N 0 0 311.344 4.810 10 0 DJAERN C[C@@](O)(c1ccc(Cl)cc1)[C@H](c1ccccc1)c1ccncc1 ZINC000584636889 337379388 /nfs/dbraw/zinc/37/93/88/337379388.db2.gz IDZVPEGYANETJH-WOJBJXKFSA-N 0 0 323.823 4.775 10 0 DJAERN CCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(C)cc21 ZINC000584637490 337379556 /nfs/dbraw/zinc/37/95/56/337379556.db2.gz RUWPGJPZHUXKDA-UHFFFAOYSA-N 0 0 305.377 4.695 10 0 DJAERN Fc1cccc2c1[C@H](C[C@@H](F)C1CCCCC1)n1cncc1-2 ZINC000584638951 337379634 /nfs/dbraw/zinc/37/96/34/337379634.db2.gz OHWIXLJBJCDWBA-CVEARBPZSA-N 0 0 302.368 4.901 10 0 DJAERN Clc1cc(Br)nc2oc(-c3cccs3)cc21 ZINC000584639920 337379829 /nfs/dbraw/zinc/37/98/29/337379829.db2.gz IFBBAKDRRKOLKJ-UHFFFAOYSA-N 0 0 314.591 4.972 10 0 DJAERN Fc1cccc(Oc2c[nH]nc2-c2ccc(Cl)cc2Cl)n1 ZINC000584648927 337380539 /nfs/dbraw/zinc/38/05/39/337380539.db2.gz YJSZJEGWUPUODK-UHFFFAOYSA-N 0 0 324.142 4.710 10 0 DJAERN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1ccco1 ZINC000116474540 337392720 /nfs/dbraw/zinc/39/27/20/337392720.db2.gz MSEYWRNOHQKSMW-CYBMUJFWSA-N 0 0 324.302 4.667 10 0 DJAERN O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1ccco1 ZINC000116474543 337392752 /nfs/dbraw/zinc/39/27/52/337392752.db2.gz MSEYWRNOHQKSMW-ZDUSSCGKSA-N 0 0 324.302 4.667 10 0 DJAERN CCCC[C@@H](CC)CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000117252043 337393318 /nfs/dbraw/zinc/39/33/18/337393318.db2.gz BAJYZORVZGMMDE-CABCVRRESA-N 0 0 308.491 4.803 10 0 DJAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)cs1 ZINC000249467760 337570425 /nfs/dbraw/zinc/57/04/25/337570425.db2.gz QXHMEIZAOGPQDI-INWMFGNUSA-N 0 0 320.502 4.577 10 0 DJAERN C[C@@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)c1ccccn1 ZINC000035790700 337745601 /nfs/dbraw/zinc/74/56/01/337745601.db2.gz DHCGCRZOWGCLFU-ZJUUUORDSA-N 0 0 313.203 4.939 10 0 DJAERN C[C@@H](N[C@@H](C)c1cccnc1)c1c(Cl)ccc(F)c1Cl ZINC000035790819 337745669 /nfs/dbraw/zinc/74/56/69/337745669.db2.gz CFDSEEFULGAEPR-VHSXEESVSA-N 0 0 313.203 4.939 10 0 DJAERN C[C@H](Nc1ccc(C(C)(C)C)cc1)c1nc(C(C)(C)C)no1 ZINC000105728102 337809521 /nfs/dbraw/zinc/80/95/21/337809521.db2.gz IYBDMFQZFCXIQK-LBPRGKRZSA-N 0 0 301.434 4.838 10 0 DJAERN C[C@H](c1ccco1)N(C(=O)N[C@H]1CCCc2ccccc21)C1CC1 ZINC000086338904 338015211 /nfs/dbraw/zinc/01/52/11/338015211.db2.gz RKAMBJDXGNRNSB-KDOFPFPSSA-N 0 0 324.424 4.592 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@H](C)c2cccc(F)c2)o1 ZINC000173243748 340360961 /nfs/dbraw/zinc/36/09/61/340360961.db2.gz HTDZYZHEQDJKOZ-RHSMWYFYSA-N 0 0 315.388 4.584 10 0 DJAERN C[C@H](NC(=O)CCC(F)(F)F)c1ccc(C(C)(C)C)cc1 ZINC000173360169 340363336 /nfs/dbraw/zinc/36/33/36/340363336.db2.gz LWMKRWBSUZAJQY-NSHDSACASA-N 0 0 301.352 4.504 10 0 DJAERN CCC[C@H](C)CC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173967090 340378832 /nfs/dbraw/zinc/37/88/32/340378832.db2.gz OTQICEALMFKJIH-GJZGRUSLSA-N 0 0 322.518 4.799 10 0 DJAERN CSc1cccc(C)c1NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000184987264 340497122 /nfs/dbraw/zinc/49/71/22/340497122.db2.gz CBPDBHWLDKQEOX-LBPRGKRZSA-N 0 0 304.415 4.501 10 0 DJAERN CC[C@H](C)Sc1ccc(NC(=O)[C@H]2CCCO[C@@H]2C)c(C)c1 ZINC000190798846 340547058 /nfs/dbraw/zinc/54/70/58/340547058.db2.gz ANKJUBZUTPKLHO-LZWOXQAQSA-N 0 0 321.486 4.639 10 0 DJAERN COc1ccccc1[C@@H](C)N[C@H](C)c1ccc(F)cc1Cl ZINC000037217600 340774965 /nfs/dbraw/zinc/77/49/65/340774965.db2.gz RRJVRPHJFAHBBJ-VXGBXAGGSA-N 0 0 307.796 4.900 10 0 DJAERN C[C@@H](Nc1cncc(Br)c1)c1ccccc1Cl ZINC000134624060 341220194 /nfs/dbraw/zinc/22/01/94/341220194.db2.gz XAGPDGXGHIVSQT-SECBINFHSA-N 0 0 311.610 4.671 10 0 DJAERN C[C@H](c1ccco1)N(C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000246486547 341350488 /nfs/dbraw/zinc/35/04/88/341350488.db2.gz GHUHGIGXCXHOQC-CPUCHLNUSA-N 0 0 312.413 4.621 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(F)c(F)c2)o1 ZINC000152908160 341511091 /nfs/dbraw/zinc/51/10/91/341511091.db2.gz WNXUGJLPEQDPOY-HNNXBMFYSA-N 0 0 320.339 4.625 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc(C)cc2C)o1 ZINC000153139834 341526606 /nfs/dbraw/zinc/52/66/06/341526606.db2.gz LUJLSSCYNPRXKY-QGZVFWFLSA-N 0 0 312.413 4.964 10 0 DJAERN C[C@@H](c1ccco1)N(C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000153184504 341528580 /nfs/dbraw/zinc/52/85/80/341528580.db2.gz GHUHGIGXCXHOQC-KEYYUXOJSA-N 0 0 312.413 4.621 10 0 DJAERN CCc1ccccc1NC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000153702352 341577298 /nfs/dbraw/zinc/57/72/98/341577298.db2.gz OITIBHSILTZFFX-KRWDZBQOSA-N 0 0 312.413 4.910 10 0 DJAERN COc1cc(OC)c([C@H](C)N[C@H](C)c2ccc(C)o2)cc1Cl ZINC000158172487 341652905 /nfs/dbraw/zinc/65/29/05/341652905.db2.gz KDLGAGSDPNJXEF-NWDGAFQWSA-N 0 0 323.820 4.670 10 0 DJAERN CC(C)c1cccc(C(C)C)c1NCc1nnc(C2CC2)n1C ZINC000190838532 519841265 /nfs/dbraw/zinc/84/12/65/519841265.db2.gz MOJPGFVJVOIKGX-UHFFFAOYSA-N 0 0 312.461 4.551 10 0 DJAERN CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190879532 521424327 /nfs/dbraw/zinc/42/43/27/521424327.db2.gz SINUQCMRANNYHX-RHSMWYFYSA-N 0 0 303.446 4.516 10 0 DJAERN COc1ccc(-c2nc(CN[C@@H](C)c3ccccc3C)co2)cc1 ZINC000181548246 523208969 /nfs/dbraw/zinc/20/89/69/523208969.db2.gz OCZOIWSPFOWPSL-HNNXBMFYSA-N 0 0 322.408 4.509 10 0 DJAERN CC[C@]1(C)Cc2ccccc2N(c2cnc3ccccc3c2)C1=O ZINC000090414992 523601700 /nfs/dbraw/zinc/60/17/00/523601700.db2.gz GRLOLUDFJFRJFA-OAQYLSRUSA-N 0 0 316.404 4.872 10 0 DJAERN C[C@@H]1CC[C@@H](N[C@H](c2ncc[nH]2)c2ccccc2)c2ccccc21 ZINC000128189356 524618094 /nfs/dbraw/zinc/61/80/94/524618094.db2.gz OKBUKWWFPCCYOW-YSGRDPCXSA-N 0 0 317.436 4.727 10 0 DJAERN Cc1cccc([S@](=O)[C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000157096139 524912597 /nfs/dbraw/zinc/91/25/97/524912597.db2.gz KRJBEFBNDMDQQO-PEBXRYMYSA-N 0 0 311.406 4.519 10 0 DJAERN CC(=O)c1ccc(Oc2ncnc3sc(C)cc32)c(Cl)c1 ZINC000120389059 534871964 /nfs/dbraw/zinc/87/19/64/534871964.db2.gz UMYNTAXZZBCRBV-UHFFFAOYSA-N 0 0 318.785 4.648 10 0 DJAERN Cc1ccc([C@H](C)NC(=O)CC2CCC(C(F)(F)F)CC2)o1 ZINC000182952932 525886578 /nfs/dbraw/zinc/88/65/78/525886578.db2.gz IRRFUTPTDHVZDB-HIFPTAJRSA-N 0 0 317.351 4.524 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2c(C)cccc2F)o1 ZINC000121316530 525994329 /nfs/dbraw/zinc/99/43/29/525994329.db2.gz BPIOSTJYUHPGLV-OAHLLOKOSA-N 0 0 316.376 4.795 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)c2csc(C(C)C)n2)o1 ZINC000127914581 525994869 /nfs/dbraw/zinc/99/48/69/525994869.db2.gz MYQLVKFFXWVPRV-CQSZACIVSA-N 0 0 318.442 4.535 10 0 DJAERN Clc1cc(Cl)cc([C@@]2(CC(Cl)(Cl)Cl)CO2)c1 ZINC000002004093 560185433 /nfs/dbraw/zinc/18/54/33/560185433.db2.gz IBZHOAONZVJLOB-SECBINFHSA-N 0 0 320.430 4.979 10 0 in-vitro DJAERN O=C(NC1CCCC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007951040 563343177 /nfs/dbraw/zinc/34/31/77/563343177.db2.gz PAWHHIDGGMVYLS-UHFFFAOYSA-N 0 0 324.207 4.926 10 0 DJAERN CC(C)(C)OC(=O)/C=C/c1ccc(SC(F)(F)F)cc1 ZINC000406002619 563467032 /nfs/dbraw/zinc/46/70/32/563467032.db2.gz ZEQINKCCYFDSOZ-RMKNXTFCSA-N 0 0 304.333 4.653 10 0 DJAERN CC(C)n1cc(C(F)F)c(-c2cscc2Br)n1 ZINC000725270598 563576076 /nfs/dbraw/zinc/57/60/76/563576076.db2.gz QEIVBBTULKTXDU-UHFFFAOYSA-N 0 0 321.190 4.893 10 0 DJAERN CC(C)(C)N(O)C[C@@H](C(=O)C=Cc1ccccc1)c1ccccc1 ZINC000048524327 563924012 /nfs/dbraw/zinc/92/40/12/563924012.db2.gz XBLOGSVMLOUTOW-JUWJPQTCSA-N 0 0 323.436 4.542 10 0 DJAERN C[C@H]1CNc2ccccc2N1Cc1ccc(Cl)c(Cl)c1 ZINC000076970146 185062545 /nfs/dbraw/zinc/06/25/45/185062545.db2.gz NYRGOEVBIMKESB-NSHDSACASA-N 0 0 307.224 4.814 10 0 DJAERN c1ccc(-c2cccc(-c3cc(-c4ccncc4)ccn3)n2)cc1 ZINC000306120598 231081624 /nfs/dbraw/zinc/08/16/24/231081624.db2.gz IEZHOZMGWHOVMM-UHFFFAOYSA-N 0 0 309.372 4.873 10 0 DJAERN Brc1ccc2nc(Nc3ccccc3)sc2c1 ZINC000082727379 185197311 /nfs/dbraw/zinc/19/73/11/185197311.db2.gz WXCIIKDXEMBCEB-UHFFFAOYSA-N 0 0 305.200 4.802 10 0 DJAERN O=C1c2ccccc2Cc2ccc3cc(Br)ccc3c21 ZINC000087492719 185226694 /nfs/dbraw/zinc/22/66/94/185226694.db2.gz UERYBEVVCAKTGH-UHFFFAOYSA-N 0 0 323.189 4.738 10 0 DJAERN Cc1cccc2cc(C3=NN[C@H](c4ccccc4)C3)c(Cl)nc12 ZINC000090495451 185298988 /nfs/dbraw/zinc/29/89/88/185298988.db2.gz HOXGWKFPBWQXHP-INIZCTEOSA-N 0 0 321.811 4.635 10 0 DJAERN Cc1cccc2cc(C3=NN[C@@H](c4ccccc4)C3)c(Cl)nc12 ZINC000090495452 185299094 /nfs/dbraw/zinc/29/90/94/185299094.db2.gz HOXGWKFPBWQXHP-MRXNPFEDSA-N 0 0 321.811 4.635 10 0 DJAERN Cc1cccc(-c2cnc(C(F)(F)F)nc2NC2CCCC2)c1 ZINC000090397980 185294331 /nfs/dbraw/zinc/29/43/31/185294331.db2.gz QIRKIPFVIHPMSC-UHFFFAOYSA-N 0 0 321.346 4.825 10 0 DJAERN Oc1ccc(-c2nc3cc(Cl)c(Cl)cc3s2)c(O)c1 ZINC000090712680 185311218 /nfs/dbraw/zinc/31/12/18/185311218.db2.gz GFYGOUMJVNSGLA-UHFFFAOYSA-N 0 0 312.177 4.681 10 0 DJAERN CCc1cccc(CC)c1-c1nc(-c2ccccc2)c(CO)o1 ZINC000090728991 185311571 /nfs/dbraw/zinc/31/15/71/185311571.db2.gz SZAUVICNTLKCAS-UHFFFAOYSA-N 0 0 307.393 4.626 10 0 DJAERN Cc1cccc2c1C(C)(C)CC(=O)N2c1cnc2ccccc2c1 ZINC000090649168 185307892 /nfs/dbraw/zinc/30/78/92/185307892.db2.gz PYIDCFULQDVMNS-UHFFFAOYSA-N 0 0 316.404 4.889 10 0 DJAERN O=C(c1cccc(Cl)c1)[C@H](c1ccccc1)c1ccccn1 ZINC000169333171 197742486 /nfs/dbraw/zinc/74/24/86/197742486.db2.gz ZXUYWTHBPYNLPR-GOSISDBHSA-N 0 0 307.780 4.750 10 0 DJAERN CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[C@@H](O)CC1 ZINC000169347037 197744381 /nfs/dbraw/zinc/74/43/81/197744381.db2.gz YXWISLRSJNLONB-AWEZNQCLSA-N 0 0 316.441 4.594 10 0 DJAERN Cc1cccc(C)c1OCCOc1cccc(Br)c1 ZINC000070133932 190860850 /nfs/dbraw/zinc/86/08/50/190860850.db2.gz LUEKVQWCWCFZES-UHFFFAOYSA-N 0 0 321.214 4.524 10 0 DJAERN O=C(COc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000070132898 190861682 /nfs/dbraw/zinc/86/16/82/190861682.db2.gz RHYJLDADEVYQTJ-UHFFFAOYSA-N 0 0 315.583 4.909 10 0 DJAERN C[C@@H]1CC=CC[C@H]1COCc1cc(Br)cs1 ZINC000071108856 190934606 /nfs/dbraw/zinc/93/46/06/190934606.db2.gz NWDYWHGRFWVNKM-MNOVXSKESA-N 0 0 301.249 4.630 10 0 DJAERN COC(=O)c1ccc(Nc2ccnc3c2cccc3C(C)C)cc1 ZINC000072236870 191080356 /nfs/dbraw/zinc/08/03/56/191080356.db2.gz GNGJACRMGPQAOO-UHFFFAOYSA-N 0 0 320.392 4.888 10 0 DJAERN c1ccc2c(c1)nc(Nc1cccnc1)nc2NC1CCCCC1 ZINC000072261000 191089652 /nfs/dbraw/zinc/08/96/52/191089652.db2.gz DWUXHACXPBUUCF-UHFFFAOYSA-N 0 0 319.412 4.513 10 0 DJAERN COc1ccc(Nc2nccc(/C=C/c3ccc(F)cc3)n2)cc1 ZINC000072443704 191168559 /nfs/dbraw/zinc/16/85/59/191168559.db2.gz LJTCOEYMVWWSPP-QPJJXVBHSA-N 0 0 321.355 4.538 10 0 DJAERN COc1cccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)c1 ZINC000072443551 191168709 /nfs/dbraw/zinc/16/87/09/191168709.db2.gz ZDRPCBIMCYKHKX-UHFFFAOYSA-N 0 0 311.772 4.549 10 0 DJAERN O=S(=O)(Nc1ccccc1)c1ccc(C2CCCCC2)cc1 ZINC000000289005 180748783 /nfs/dbraw/zinc/74/87/83/180748783.db2.gz TZNOWQMLXLYAEM-UHFFFAOYSA-N 0 0 315.438 4.535 10 0 DJAERN Cc1csc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000000273365 180745139 /nfs/dbraw/zinc/74/51/39/180745139.db2.gz NDXFCHZONXTJMP-UHFFFAOYSA-N 0 0 318.785 4.617 10 0 DJAERN COc1ccc(C(=O)Oc2ccc3oc4c(c3c2)CCCC4)cc1 ZINC000000506067 180809729 /nfs/dbraw/zinc/80/97/29/180809729.db2.gz KMUGCFQYJFWTII-UHFFFAOYSA-N 0 0 322.360 4.539 10 0 DJAERN Cc1ccnc(Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1 ZINC000001441964 180867442 /nfs/dbraw/zinc/86/74/42/180867442.db2.gz MSZWUEVEFJIRPV-UHFFFAOYSA-N 0 0 313.445 4.829 10 0 DJAERN O=c1oc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 ZINC000001708035 180890499 /nfs/dbraw/zinc/89/04/99/180890499.db2.gz OOIRRIVSRGZVHH-UHFFFAOYSA-N 0 0 313.356 4.765 10 0 DJAERN Cc1c(Cl)cccc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000001927148 180902658 /nfs/dbraw/zinc/90/26/58/180902658.db2.gz TZMMXICOMAAMAZ-CMDGGOBGSA-N 0 0 306.192 4.954 10 0 DJAERN CCCOc1ccccc1/C=C/C(=O)Nc1cccc(Cl)c1 ZINC000001927400 180902874 /nfs/dbraw/zinc/90/28/74/180902874.db2.gz WDZOMHJGSWHDRC-ZHACJKMWSA-N 0 0 315.800 4.781 10 0 DJAERN Cc1c2nc(NC(=O)c3ccccc3F)sc2ccc1Cl ZINC000004331306 181098487 /nfs/dbraw/zinc/09/84/87/181098487.db2.gz WORVSZNTAQNPJH-UHFFFAOYSA-N 0 0 320.776 4.650 10 0 DJAERN Cc1cccc(C(=O)Nc2nc3c(cc(Cl)cc3C)s2)c1 ZINC000004330765 181098659 /nfs/dbraw/zinc/09/86/59/181098659.db2.gz RYEYXCHJMOTKTM-UHFFFAOYSA-N 0 0 316.813 4.819 10 0 DJAERN Cc1ccccc1C(=O)Nc1nc2ccc(C(C)C)cc2s1 ZINC000004348596 181100967 /nfs/dbraw/zinc/10/09/67/181100967.db2.gz LVCBWAAHDBDGFO-UHFFFAOYSA-N 0 0 310.422 4.980 10 0 DJAERN COc1cc(C)c2c(c1)CC[C@H]1[C@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]21 ZINC000004369931 181103459 /nfs/dbraw/zinc/10/34/59/181103459.db2.gz LHXMMRGMJDCCPZ-QEUPLWARSA-N 0 0 314.469 4.611 10 0 DJAERN O=C(c1c(F)cccc1F)N(Cc1cccs1)C1CCCC1 ZINC000004968462 181181093 /nfs/dbraw/zinc/18/10/93/181181093.db2.gz IVEZSYFGXQCLCJ-UHFFFAOYSA-N 0 0 321.392 4.611 10 0 DJAERN Cc1ccc(C)c(C(=O)Nc2nc3cc(C)c(C)cc3s2)c1 ZINC000005152420 181209938 /nfs/dbraw/zinc/20/99/38/181209938.db2.gz AJOOEZZFBJHKMW-UHFFFAOYSA-N 0 0 310.422 4.782 10 0 DJAERN Cc1cc2nc(NC(=O)c3cccc(Cl)c3)sc2cc1C ZINC000005152369 181210281 /nfs/dbraw/zinc/21/02/81/181210281.db2.gz HXDDEGNMNDDPQB-UHFFFAOYSA-N 0 0 316.813 4.819 10 0 DJAERN CCCSc1ncnc2scc(-c3ccc(OC)cc3)c21 ZINC000005414304 181240735 /nfs/dbraw/zinc/24/07/35/181240735.db2.gz XFENCXDMYPTVPC-UHFFFAOYSA-N 0 0 316.451 4.869 10 0 DJAERN COc1ccc(NCn2c3ccccc3sc2=S)cc1 ZINC000005335383 181230846 /nfs/dbraw/zinc/23/08/46/181230846.db2.gz ZIUXHJAPWASNOP-UHFFFAOYSA-N 0 0 302.424 4.510 10 0 DJAERN CCO[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000005335587 181231106 /nfs/dbraw/zinc/23/11/06/181231106.db2.gz FJEWLAAFQGYJJT-MRXNPFEDSA-N 0 0 309.192 4.954 10 0 DJAERN O=C1C[C@@H](c2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000005488194 181249099 /nfs/dbraw/zinc/24/90/99/181249099.db2.gz RETUFDGISIPSFZ-UNMCSNQZSA-N 0 0 313.400 4.948 10 0 DJAERN Cc1ccc(NC(=O)COc2cc(C)ccc2C(C)(C)C)cc1 ZINC000005544602 181255371 /nfs/dbraw/zinc/25/53/71/181255371.db2.gz KWKPPDVGTKKKSN-UHFFFAOYSA-N 0 0 311.425 4.618 10 0 DJAERN Cc1cccc(C(C)(C)C)c1OCc1ccc(C(N)=S)cc1 ZINC000005592570 181261797 /nfs/dbraw/zinc/26/17/97/181261797.db2.gz NBSULDAWCQFIFK-UHFFFAOYSA-N 0 0 313.466 4.506 10 0 DJAERN CCCOC(=O)c1c(N)sc(C)c1-c1ccc(C(C)C)cc1 ZINC000005793459 181284319 /nfs/dbraw/zinc/28/43/19/181284319.db2.gz VCYLSXLASOCWQD-UHFFFAOYSA-N 0 0 317.454 4.996 10 0 DJAERN O=C(/C=C\c1ccc(F)cc1)Nc1ccc(Cl)cc1Cl ZINC000006132643 181315906 /nfs/dbraw/zinc/31/59/06/181315906.db2.gz AGNBPDNQVKBVAI-BAQGIRSFSA-N 0 0 310.155 4.784 10 0 DJAERN COc1cccc(/C=C/C(=O)Nc2ccc(C(C)(C)C)cc2)c1 ZINC000006214603 181319558 /nfs/dbraw/zinc/31/95/58/181319558.db2.gz XTTXPWOJIOSGLO-MDWZMJQESA-N 0 0 309.409 4.645 10 0 DJAERN CCCOc1ccc(Cn2c3ccccc3nc2C(C)C)cc1 ZINC000006311310 181328517 /nfs/dbraw/zinc/32/85/17/181328517.db2.gz VXDZNOYNSQEBAE-UHFFFAOYSA-N 0 0 308.425 4.997 10 0 DJAERN C[C@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000006337146 181331564 /nfs/dbraw/zinc/33/15/64/181331564.db2.gz KKWCXLVFPKCHAF-NHAQELONSA-N 0 0 319.326 4.596 10 0 DJAERN Cn1cc([C@H]2C3=C(CCCC3)C(=O)N2C(C)(C)C)c2ccccc21 ZINC000006416994 181340017 /nfs/dbraw/zinc/34/00/17/181340017.db2.gz KHGLDZJVTCVDNV-LJQANCHMSA-N 0 0 322.452 4.731 10 0 DJAERN O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1ccccc1 ZINC000006581230 181357014 /nfs/dbraw/zinc/35/70/14/181357014.db2.gz VNCIVACCVYSJKD-OAHLLOKOSA-N 0 0 324.232 4.772 10 0 DJAERN FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 ZINC000006616701 181361609 /nfs/dbraw/zinc/36/16/09/181361609.db2.gz FEKMHFSHIMPSFV-UHFFFAOYSA-N 0 0 321.327 4.968 10 0 DJAERN CN(C)c1ccc(NC(=O)c2ccc(-c3cccs3)cc2)cc1 ZINC000006910997 181405033 /nfs/dbraw/zinc/40/50/33/181405033.db2.gz NMEFDPQSIUHFQZ-UHFFFAOYSA-N 0 0 322.433 4.733 10 0 DJAERN CCOC(C[C@H](C(=O)C1CCCCC1)c1ccccc1)OCC ZINC000091301911 193035998 /nfs/dbraw/zinc/03/59/98/193035998.db2.gz AQLLKQNZEMTYHD-SFHVURJKSA-N 0 0 318.457 4.709 10 0 DJAERN O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc2ccccc2c1 ZINC000008288214 181544316 /nfs/dbraw/zinc/54/43/16/181544316.db2.gz CXZSQMTUZWYQTC-UHFFFAOYSA-N 0 0 321.351 4.581 10 0 DJAERN COc1ccc(-c2nc3cc(C(C)(C)C)ccc3o2)cc1OC ZINC000008908868 181590791 /nfs/dbraw/zinc/59/07/91/181590791.db2.gz NAMLIOJZKFTYLU-UHFFFAOYSA-N 0 0 311.381 4.810 10 0 DJAERN CC(C)c1cccc2sc(NC(=O)c3ccccc3F)nc21 ZINC000008967610 181593160 /nfs/dbraw/zinc/59/31/60/181593160.db2.gz DWBXNQFTQVIQLX-UHFFFAOYSA-N 0 0 314.385 4.811 10 0 DJAERN Nc1sc2c(c1C(=O)c1ccc3ccccc3c1)CCCC2 ZINC000013493373 181856279 /nfs/dbraw/zinc/85/62/79/181856279.db2.gz VSELAVORFCBODG-UHFFFAOYSA-N 0 0 307.418 4.593 10 0 DJAERN Cc1c(C(=O)c2ccc(Br)s2)oc2ccccc12 ZINC000015215860 181992169 /nfs/dbraw/zinc/99/21/69/181992169.db2.gz XQAAZBXTLRPOPB-UHFFFAOYSA-N 0 0 321.195 4.796 10 0 DJAERN Cc1[nH]c2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2c1C ZINC000015585217 182008465 /nfs/dbraw/zinc/00/84/65/182008465.db2.gz JSZFCYNKDMEIEK-UHFFFAOYSA-N 0 0 316.763 4.830 10 0 DJAERN c1ccc(COc2cccc(-c3ccc4c(c3)CCN4)c2)cc1 ZINC000016946153 182065400 /nfs/dbraw/zinc/06/54/00/182065400.db2.gz IGAXHTNXHZIRMU-UHFFFAOYSA-N 0 0 301.389 4.901 10 0 DJAERN COc1ccc([C@@H](C)Nc2ccc(Br)c(C)c2)cc1 ZINC000019908119 182163017 /nfs/dbraw/zinc/16/30/17/182163017.db2.gz HRSFSSIXBOYFMF-GFCCVEGCSA-N 0 0 320.230 4.939 10 0 DJAERN Cc1cc(N[C@H](C)c2ccc(O)cc2)ccc1Br ZINC000019908096 182163057 /nfs/dbraw/zinc/16/30/57/182163057.db2.gz CCTJFNKRUFBQQR-LLVKDONJSA-N 0 0 306.203 4.636 10 0 DJAERN Brc1ccc(CNc2cccc3c2CCCC3)o1 ZINC000019906186 182163088 /nfs/dbraw/zinc/16/30/88/182163088.db2.gz DDVHEFRZGYDESO-UHFFFAOYSA-N 0 0 306.203 4.533 10 0 DJAERN CSc1ccc(NCc2ccccc2Br)cc1 ZINC000019906490 182163232 /nfs/dbraw/zinc/16/32/32/182163232.db2.gz LZRQEDXGSQYZEL-UHFFFAOYSA-N 0 0 308.244 4.783 10 0 DJAERN CSc1ccc(NCc2cccc(Br)c2)cc1 ZINC000019906315 182163282 /nfs/dbraw/zinc/16/32/82/182163282.db2.gz GRAAGAVPSPVNGD-UHFFFAOYSA-N 0 0 308.244 4.783 10 0 DJAERN CC(=O)c1c(F)cccc1Oc1ccc(Br)cc1 ZINC000019871488 182159297 /nfs/dbraw/zinc/15/92/97/182159297.db2.gz YFUCCBLNZXELCZ-UHFFFAOYSA-N 0 0 309.134 4.583 10 0 DJAERN C[C@@H](Nc1cccnc1)c1cc2cc(Br)ccc2o1 ZINC000019884436 182160616 /nfs/dbraw/zinc/16/06/16/182160616.db2.gz KRZBQXMFXGRQJO-SNVBAGLBSA-N 0 0 317.186 4.763 10 0 DJAERN C[C@@H](Nc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000019951901 182169680 /nfs/dbraw/zinc/16/96/80/182169680.db2.gz AJAQCHFWNXEGMO-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN CC(=O)Nc1ccc(CNc2cc(Cl)ccc2Cl)cc1 ZINC000020022500 182179925 /nfs/dbraw/zinc/17/99/25/182179925.db2.gz OMDWCJCXLGUBFY-UHFFFAOYSA-N 0 0 309.196 4.564 10 0 DJAERN COc1ccc(OCc2ccc(Cl)nc2)c(C(C)(C)C)c1 ZINC000020024751 182180364 /nfs/dbraw/zinc/18/03/64/182180364.db2.gz MCWSRMHLELJYDG-UHFFFAOYSA-N 0 0 305.805 4.620 10 0 DJAERN Brc1ccc(CNc2ccc3[nH]ccc3c2)s1 ZINC000020132764 182191024 /nfs/dbraw/zinc/19/10/24/182191024.db2.gz LESSFKVWJDHXSK-UHFFFAOYSA-N 0 0 307.216 4.604 10 0 DJAERN Nc1nc(-c2ccc(OCc3ccccc3Cl)cc2)cs1 ZINC000020329771 182208388 /nfs/dbraw/zinc/20/83/88/182208388.db2.gz WXGKUUZVZKSNBQ-UHFFFAOYSA-N 0 0 316.813 4.625 10 0 DJAERN CCCCC1CCC(C(=O)Nc2ccc(N)cc2Cl)CC1 ZINC000020344702 182209718 /nfs/dbraw/zinc/20/97/18/182209718.db2.gz VRMBMIJQXBWOAJ-UHFFFAOYSA-N 0 0 308.853 4.857 10 0 DJAERN C[C@@H](CNc1ccc(F)cc1Br)c1ccccc1 ZINC000020430314 182216521 /nfs/dbraw/zinc/21/65/21/182216521.db2.gz XCYCKZKFHVZILA-NSHDSACASA-N 0 0 308.194 4.804 10 0 DJAERN CC[C@@H](Nc1ccc(F)cc1Br)c1ccc(O)cc1 ZINC000020430480 182216547 /nfs/dbraw/zinc/21/65/47/182216547.db2.gz USYIWBYHHDOFKL-CQSZACIVSA-N 0 0 324.193 4.857 10 0 DJAERN Clc1ccc(NCCc2ccc(Cl)cc2Cl)nc1 ZINC000020567070 182233367 /nfs/dbraw/zinc/23/33/67/182233367.db2.gz HFMMQUNZCXEUOA-UHFFFAOYSA-N 0 0 301.604 4.696 10 0 DJAERN Cc1cc(Br)ccc1NCc1c(F)cccc1F ZINC000021011191 182259744 /nfs/dbraw/zinc/25/97/44/182259744.db2.gz HEFSPRUMYVXPRB-UHFFFAOYSA-N 0 0 312.157 4.648 10 0 DJAERN Brc1ccccc1CNc1cccc2c1CCCC2 ZINC000021018989 182261352 /nfs/dbraw/zinc/26/13/52/182261352.db2.gz XGENQEXGANEXGU-UHFFFAOYSA-N 0 0 316.242 4.940 10 0 DJAERN Cc1cc(Br)ccc1NCCCc1ccccc1 ZINC000021020520 182261430 /nfs/dbraw/zinc/26/14/30/182261430.db2.gz NEJLGYRLXUTFRW-UHFFFAOYSA-N 0 0 304.231 4.802 10 0 DJAERN COc1cccc(-c2cn3c4ccc(Cl)cc4sc3n2)c1 ZINC000021147427 182266693 /nfs/dbraw/zinc/26/66/93/182266693.db2.gz WXDBDJDERGTXIW-UHFFFAOYSA-N 0 0 314.797 4.878 10 0 DJAERN Fc1cccc(Cl)c1CNc1ccc(Br)cc1 ZINC000021792203 182289929 /nfs/dbraw/zinc/28/99/29/182289929.db2.gz RRGNRTIDDINDDB-UHFFFAOYSA-N 0 0 314.585 4.854 10 0 DJAERN CC[C@H]1CC[C@H](c2ccc(I)cc2)CC1 ZINC000100057561 193793944 /nfs/dbraw/zinc/79/39/44/193793944.db2.gz HPXJRPSRURQYCC-TXEJJXNPSA-N 0 0 314.210 4.975 10 0 DJAERN CC(C)CC(=O)c1sc(Nc2ccc(C(C)C)cc2)nc1N ZINC000033251639 182697531 /nfs/dbraw/zinc/69/75/31/182697531.db2.gz KFOIWDDXTFKYEO-UHFFFAOYSA-N 0 0 317.458 4.821 10 0 DJAERN Cc1ccc(CNc2cc(Br)ccc2F)c(C)c1 ZINC000036751587 182840889 /nfs/dbraw/zinc/84/08/89/182840889.db2.gz PGMQDHKODPDUTF-UHFFFAOYSA-N 0 0 308.194 4.817 10 0 DJAERN Fc1ccccc1Nc1nc2cc(Br)ccc2s1 ZINC000037206641 182872094 /nfs/dbraw/zinc/87/20/94/182872094.db2.gz ZODYMCFRTNSJIR-UHFFFAOYSA-N 0 0 323.190 4.942 10 0 DJAERN Nc1ccc(Cl)c(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000038033819 182973883 /nfs/dbraw/zinc/97/38/83/182973883.db2.gz LDJMPBDZXGFQNF-UHFFFAOYSA-N 0 0 304.180 4.867 10 0 DJAERN CCOc1ccc(-c2cn3c4ccc(C)cc4sc3n2)cc1 ZINC000038891896 183012131 /nfs/dbraw/zinc/01/21/31/183012131.db2.gz ACJMAZUNVKCNFG-UHFFFAOYSA-N 0 0 308.406 4.923 10 0 DJAERN O=Cc1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000039927770 183023244 /nfs/dbraw/zinc/02/32/44/183023244.db2.gz ZEGFTCBQIVKNEM-UHFFFAOYSA-N 0 0 319.204 4.599 10 0 DJAERN Fc1cccc2c(Nc3cccc(Br)c3)ccnc12 ZINC000039963696 183025564 /nfs/dbraw/zinc/02/55/64/183025564.db2.gz DWNMCBPGVBLPOZ-UHFFFAOYSA-N 0 0 317.161 4.880 10 0 DJAERN FC(F)(F)c1cccc2c(NCCc3cccs3)ccnc21 ZINC000039963865 183025687 /nfs/dbraw/zinc/02/56/87/183025687.db2.gz GRIPQLIZSCJPBE-UHFFFAOYSA-N 0 0 322.355 4.970 10 0 DJAERN Fc1cccc2c(Nc3ccccc3Br)ccnc12 ZINC000039963748 183026077 /nfs/dbraw/zinc/02/60/77/183026077.db2.gz ZAJGPDCEEABHLN-UHFFFAOYSA-N 0 0 317.161 4.880 10 0 DJAERN COc1ccc(Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000040179099 183045016 /nfs/dbraw/zinc/04/50/16/183045016.db2.gz SJMZORARFXPGBC-UHFFFAOYSA-N 0 0 319.360 4.740 10 0 DJAERN Cc1cc2ncn(CCOc3ccc(Cl)c(C)c3)c2cc1C ZINC000040224053 183046779 /nfs/dbraw/zinc/04/67/79/183046779.db2.gz KFOMTGCJIDXKMY-UHFFFAOYSA-N 0 0 314.816 4.694 10 0 DJAERN Cc1cc(OCCCn2cnc3ccccc32)cc(C)c1Cl ZINC000040223948 183047030 /nfs/dbraw/zinc/04/70/30/183047030.db2.gz VYHRYGOQEDGTKT-UHFFFAOYSA-N 0 0 314.816 4.776 10 0 DJAERN Cc1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 ZINC000040224662 183047193 /nfs/dbraw/zinc/04/71/93/183047193.db2.gz GZXAPGVIOSDBOM-UHFFFAOYSA-N 0 0 308.425 4.721 10 0 DJAERN CCc1nc2ccccc2n1CCOc1ccc(C(C)C)cc1 ZINC000040227372 183047896 /nfs/dbraw/zinc/04/78/96/183047896.db2.gz RQWBZLCWNFQHPC-UHFFFAOYSA-N 0 0 308.425 4.801 10 0 DJAERN CCCn1c(COc2ccccc2Cl)nc2ccccc21 ZINC000040232823 183048897 /nfs/dbraw/zinc/04/88/97/183048897.db2.gz MHKFBLKYWUFTDB-UHFFFAOYSA-N 0 0 300.789 4.679 10 0 DJAERN CCOCCCn1c2ccc(Cl)cc2nc1-c1ccccc1 ZINC000040403299 183061347 /nfs/dbraw/zinc/06/13/47/183061347.db2.gz ORNXJDYHGLSVSW-UHFFFAOYSA-N 0 0 314.816 4.783 10 0 DJAERN COCCCn1c2ccc(Cl)cc2nc1-c1ccc(C)cc1 ZINC000040402855 183061352 /nfs/dbraw/zinc/06/13/52/183061352.db2.gz OVQPHGKCFXLNGM-UHFFFAOYSA-N 0 0 314.816 4.702 10 0 DJAERN CCOCCCn1c2ccc(Cl)cc2nc1-c1cccs1 ZINC000040403435 183061806 /nfs/dbraw/zinc/06/18/06/183061806.db2.gz KJHVGCJHECBJNI-UHFFFAOYSA-N 0 0 320.845 4.845 10 0 DJAERN Clc1ccc2c(c1)nc(-c1ccccc1)n2Cc1ccco1 ZINC000040409908 183062982 /nfs/dbraw/zinc/06/29/82/183062982.db2.gz YRYWTNCJMKIBGP-UHFFFAOYSA-N 0 0 308.768 4.998 10 0 DJAERN CCn1c(COc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040417223 183063585 /nfs/dbraw/zinc/06/35/85/183063585.db2.gz OMYUQMCNUHNXTE-UHFFFAOYSA-N 0 0 321.207 4.942 10 0 DJAERN Cc1ccc(Oc2ncnc(Oc3cc(C)cc(C)c3)c2N)cc1 ZINC000040681556 183117031 /nfs/dbraw/zinc/11/70/31/183117031.db2.gz PHJSDUBPCWJPLQ-UHFFFAOYSA-N 0 0 321.380 4.569 10 0 DJAERN CC(C)c1cccc(C(C)C)c1NC(=S)NC(=O)C(C)(C)C ZINC000040897933 183146901 /nfs/dbraw/zinc/14/69/01/183146901.db2.gz QTJPPUBSOGRSBV-UHFFFAOYSA-N 0 0 320.502 4.793 10 0 DJAERN Cc1cc(C)c(CSc2nnc(-c3ccccc3)o2)cc1C ZINC000040947943 183150620 /nfs/dbraw/zinc/15/06/20/183150620.db2.gz BTRXIJCEGZEDRP-UHFFFAOYSA-N 0 0 310.422 4.954 10 0 DJAERN CCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(C)n21 ZINC000040964305 183152152 /nfs/dbraw/zinc/15/21/52/183152152.db2.gz YGUQROCMBOACHT-UHFFFAOYSA-N 0 0 308.406 4.923 10 0 DJAERN O=C(Nc1ccnc2c1cccc2C(F)(F)F)c1ccccc1 ZINC000041057657 183161133 /nfs/dbraw/zinc/16/11/33/183161133.db2.gz DOCNRYXBVXDTIA-UHFFFAOYSA-N 0 0 316.282 4.506 10 0 DJAERN CN(C(=O)/C=C/c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000040868184 183144659 /nfs/dbraw/zinc/14/46/59/183144659.db2.gz QKCZAUYPGCWLLZ-CSKARUKUSA-N 0 0 312.240 4.798 10 0 DJAERN O=C(CCCc1cccc(Br)c1)c1ccccc1 ZINC000041516885 183196941 /nfs/dbraw/zinc/19/69/41/183196941.db2.gz DTQYKAAZNPFUOD-UHFFFAOYSA-N 0 0 303.199 4.655 10 0 DJAERN Cc1cc(C)c(COc2ccc(Cl)cc2[C@H](C)O)c(C)c1 ZINC000041531629 183198839 /nfs/dbraw/zinc/19/88/39/183198839.db2.gz IAUAVNFMLGCLST-AWEZNQCLSA-N 0 0 304.817 4.898 10 0 DJAERN Cc1cc(C)c(COc2ccc(Cl)cc2[C@@H](C)O)c(C)c1 ZINC000041531626 183199205 /nfs/dbraw/zinc/19/92/05/183199205.db2.gz IAUAVNFMLGCLST-CQSZACIVSA-N 0 0 304.817 4.898 10 0 DJAERN OC[C@H](Cc1cccc(F)c1)Cc1ccc(Cl)cc1Cl ZINC000041564676 183202968 /nfs/dbraw/zinc/20/29/68/183202968.db2.gz AKVPIVGNTITEIR-GFCCVEGCSA-N 0 0 313.199 4.526 10 0 DJAERN OC[C@H](Cc1ccc(F)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000041564700 183203039 /nfs/dbraw/zinc/20/30/39/183203039.db2.gz JXDZBIRYULEYMC-CYBMUJFWSA-N 0 0 313.199 4.526 10 0 DJAERN OC[C@@H](Cc1cccc(Cl)c1)Cc1c(F)cccc1Cl ZINC000041564655 183203152 /nfs/dbraw/zinc/20/31/52/183203152.db2.gz MXUIMJDSEAFZCS-LBPRGKRZSA-N 0 0 313.199 4.526 10 0 DJAERN Clc1ccc(Cl)c2c(Br)c(Cl)cnc12 ZINC000041702053 183217604 /nfs/dbraw/zinc/21/76/04/183217604.db2.gz UHFOIJBPRKYRMO-UHFFFAOYSA-N 0 0 311.393 4.958 10 0 DJAERN Nc1cc(Br)ccc1Nc1ccc(Cl)cc1F ZINC000042587446 183287762 /nfs/dbraw/zinc/28/77/62/183287762.db2.gz XDAFVXQLEQWYTH-UHFFFAOYSA-N 0 0 315.573 4.567 10 0 DJAERN Oc1ccc(CNc2cccc(C(F)(F)F)c2)cc1Cl ZINC000043476693 183366089 /nfs/dbraw/zinc/36/60/89/183366089.db2.gz ZLIPJBIHKQQTBN-UHFFFAOYSA-N 0 0 301.695 4.677 10 0 DJAERN Cc1cc(Cl)ccc1OCC(=O)c1ccc(Cl)s1 ZINC000048101386 183621578 /nfs/dbraw/zinc/62/15/78/183621578.db2.gz XFFFVJSSIHDHEM-UHFFFAOYSA-N 0 0 301.194 4.625 10 0 DJAERN O[C@@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1 ZINC000053783265 183912414 /nfs/dbraw/zinc/91/24/14/183912414.db2.gz JFFJDJAZRFVNFP-AWEZNQCLSA-N 0 0 303.135 4.548 10 0 DJAERN C[C@](O)(c1ccccc1Cl)c1cc(Cl)ccc1Cl ZINC000055191217 183970077 /nfs/dbraw/zinc/97/00/77/183970077.db2.gz SEJXFAAMMFYURG-AWEZNQCLSA-N 0 0 301.600 4.903 10 0 DJAERN CCCn1ccnc1CNc1c(Cl)cc(Cl)cc1Cl ZINC000061877545 184192259 /nfs/dbraw/zinc/19/22/59/184192259.db2.gz PYPGUXKSTIFEQX-UHFFFAOYSA-N 0 0 318.635 4.865 10 0 DJAERN CCCCC(=O)Nc1ccc(CCCC)cc1Br ZINC000064985466 184307654 /nfs/dbraw/zinc/30/76/54/184307654.db2.gz XTIVOCXXJQIMPU-UHFFFAOYSA-N 0 0 312.251 4.920 10 0 DJAERN CCCCc1ccc(NC(=O)C(C)(C)C)c(Br)c1 ZINC000064985465 184308153 /nfs/dbraw/zinc/30/81/53/184308153.db2.gz AVBCPFGKFDTJKB-UHFFFAOYSA-N 0 0 312.251 4.776 10 0 DJAERN CC(C)(C)c1ccc2nc(NC(=O)c3cccs3)sc2c1 ZINC000065003014 184308295 /nfs/dbraw/zinc/30/82/95/184308295.db2.gz UTGVERRFKWTUBD-UHFFFAOYSA-N 0 0 316.451 4.908 10 0 DJAERN CC(C)(C)c1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000065003021 184308621 /nfs/dbraw/zinc/30/86/21/184308621.db2.gz OUUSSVUYQNETKZ-UHFFFAOYSA-N 0 0 310.422 4.846 10 0 DJAERN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H]5S[C@H]5C[C@]34C)[C@H]1CC[C@]2(C)O ZINC000256968236 257103965 /nfs/dbraw/zinc/10/39/65/257103965.db2.gz UPLPHRJJTCUQAY-OFIBELFPSA-N 0 0 320.542 4.874 10 0 DJAERN CC(C)n1ccnc1CSCc1csc(C(C)(C)C)n1 ZINC000175292104 332883960 /nfs/dbraw/zinc/88/39/60/332883960.db2.gz ZCPMRCZLYYXTAE-UHFFFAOYSA-N 0 0 309.504 4.651 10 0 DJAERN O=C(Nc1ccc2c(c1)CCCN2)c1ccc(Cl)cc1Cl ZINC000109370935 331548865 /nfs/dbraw/zinc/54/88/65/331548865.db2.gz DGSRTRFPYYCRLR-UHFFFAOYSA-N 0 0 321.207 4.604 10 0 DJAERN Cc1ccc([C@H](C)N[C@@H](C)c2nc3ccc(Cl)cc3n2C)o1 ZINC000091264918 332102646 /nfs/dbraw/zinc/10/26/46/332102646.db2.gz MRXQCKGPSBUUQW-RYUDHWBXSA-N 0 0 317.820 4.540 10 0 DJAERN Cc1ccc([C@H](C)NC(=O)N(C)[C@H](c2ccccc2)C(C)C)o1 ZINC000112740807 334724218 /nfs/dbraw/zinc/72/42/18/334724218.db2.gz AIIRZQVIYAIQCT-YJBOKZPZSA-N 0 0 314.429 4.688 10 0 DJAERN CCc1cnc([C@H](C)Nc2nc(C)nc3scc(C)c32)s1 ZINC000126455449 334862070 /nfs/dbraw/zinc/86/20/70/334862070.db2.gz RHIJNGFPXNSUCL-VIFPVBQESA-N 0 0 318.471 4.500 10 0 DJAERN C[C@@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1ccccc1Cl ZINC000116413449 335893489 /nfs/dbraw/zinc/89/34/89/335893489.db2.gz DQZVBQLEPNLPNA-IUODEOHRSA-N 0 0 318.804 4.541 10 0 DJAERN Cc1noc(C)c1[C@H](C)Cc1nc([C@H]2C[C@H](C)C[C@H](C)C2)no1 ZINC000329728840 336071111 /nfs/dbraw/zinc/07/11/11/336071111.db2.gz PBPKQSNGIKGKLM-ZAZJYDDPSA-N 0 0 317.433 4.560 10 0 DJAERN C[C@@H](NC(=O)CCC1CCCC1)c1cccc(Br)c1 ZINC000042353157 336239649 /nfs/dbraw/zinc/23/96/49/336239649.db2.gz AMFGULVSHPZDLG-GFCCVEGCSA-N 0 0 324.262 4.597 10 0 DJAERN C[C@@H](Nc1ncccc1C(F)(F)F)c1ccccc1Cl ZINC000042374319 336239916 /nfs/dbraw/zinc/23/99/16/336239916.db2.gz GSKGDXDPQGADBH-SECBINFHSA-N 0 0 300.711 4.927 10 0 DJAERN Fc1c(NCc2ccc(Cl)nc2)ccc2c(Cl)ccnc12 ZINC000301238490 336296233 /nfs/dbraw/zinc/29/62/33/336296233.db2.gz LKEXQTXRTUEMBN-UHFFFAOYSA-N 0 0 322.170 4.688 10 0 DJAERN FC(F)(F)c1ccnc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000301509284 336311331 /nfs/dbraw/zinc/31/13/31/336311331.db2.gz DQLURHSVQTWBPE-WPRPVWTQSA-N 0 0 312.257 4.633 10 0 DJAERN Cc1cnc([C@H](C)Nc2ccc3c(Cl)ccnc3c2F)s1 ZINC000301531671 336312849 /nfs/dbraw/zinc/31/28/49/336312849.db2.gz HWVBNQLFLATBIJ-VIFPVBQESA-N 0 0 321.808 4.965 10 0 DJAERN c1nc(N[C@H]2CCOc3ccccc32)sc1-c1ccccc1 ZINC000301595678 336317168 /nfs/dbraw/zinc/31/71/68/336317168.db2.gz RWTJQLDASCPURI-HNNXBMFYSA-N 0 0 308.406 4.746 10 0 DJAERN Fc1ccc(-c2csc(N3CCC[C@@H]3c3ccco3)n2)cc1 ZINC000301605366 336317806 /nfs/dbraw/zinc/31/78/06/336317806.db2.gz MHBHGTPRMDAUBT-OAHLLOKOSA-N 0 0 314.385 4.884 10 0 DJAERN Cc1cc2c(ncnc2N[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000301860261 336334697 /nfs/dbraw/zinc/33/46/97/336334697.db2.gz DJLHYXNDUHVFML-NXEZZACHSA-N 0 0 315.364 4.533 10 0 DJAERN CC(C)(C)[C@H](Nc1ccc(C(F)(F)F)nn1)c1cccs1 ZINC000301948957 336339468 /nfs/dbraw/zinc/33/94/68/336339468.db2.gz ICLDWIGPTHZMNZ-GFCCVEGCSA-N 0 0 315.364 4.756 10 0 DJAERN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1ccco1 ZINC000116406061 336840146 /nfs/dbraw/zinc/84/01/46/336840146.db2.gz DUFXXPWCJKFZER-ZDUSSCGKSA-N 0 0 324.302 4.667 10 0 DJAERN O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H]1c1ccco1 ZINC000116406230 336840150 /nfs/dbraw/zinc/84/01/50/336840150.db2.gz RZRPSQLOBRHXFY-CYBMUJFWSA-N 0 0 324.302 4.667 10 0 DJAERN O=C(CCCC1CCCC1)N1CCCC[C@H]1c1nccs1 ZINC000173053358 337133275 /nfs/dbraw/zinc/13/32/75/337133275.db2.gz WYYPZOQGLCGXKQ-HNNXBMFYSA-N 0 0 306.475 4.557 10 0 DJAERN CCCc1ccc(N[C@@H](C)c2nnc(-c3ccccc3)o2)cc1 ZINC000176674492 337152689 /nfs/dbraw/zinc/15/26/89/337152689.db2.gz ZNVDQFFUJUCCIP-AWEZNQCLSA-N 0 0 307.397 4.862 10 0 DJAERN CC[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1OC ZINC000179810107 337171874 /nfs/dbraw/zinc/17/18/74/337171874.db2.gz USHSHSUHZZVICY-KRWDZBQOSA-N 0 0 324.424 4.533 10 0 DJAERN Cc1coc(-c2ccc(C)c(N[C@@H](C)c3cnc(C)s3)c2)n1 ZINC000180034997 337173184 /nfs/dbraw/zinc/17/31/84/337173184.db2.gz WDLOKXYBYMRFRB-LBPRGKRZSA-N 0 0 313.426 4.896 10 0 DJAERN C[C@H](NCc1ncc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000181352277 337181523 /nfs/dbraw/zinc/18/15/23/337181523.db2.gz HGSRGOJUNWOCLM-ZDUSSCGKSA-N 0 0 312.800 4.846 10 0 DJAERN Cc1ccccc1[C@@H](C)NCc1ncc(-c2cccc(F)c2)o1 ZINC000181534290 337182828 /nfs/dbraw/zinc/18/28/28/337182828.db2.gz GWPSSSWQKALORN-CQSZACIVSA-N 0 0 310.372 4.640 10 0 DJAERN Cc1ccc([C@@H](C)NCc2ncc(-c3ccccc3Cl)o2)o1 ZINC000182591510 337189104 /nfs/dbraw/zinc/18/91/04/337189104.db2.gz LAPOENWWKKOEFS-GFCCVEGCSA-N 0 0 316.788 4.747 10 0 DJAERN FC(F)c1ccc(CN2CCCC[C@@H]2c2nccs2)cc1 ZINC000183932864 337195706 /nfs/dbraw/zinc/19/57/06/337195706.db2.gz YIOSDUWETFLUAV-CQSZACIVSA-N 0 0 308.397 4.808 10 0 DJAERN C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccccc1Cl ZINC000185823019 337250565 /nfs/dbraw/zinc/25/05/65/337250565.db2.gz YXGAZOKTKJZRRI-CQSZACIVSA-N 0 0 323.827 4.648 10 0 DJAERN Cc1ccc([C@@H](C)NCc2ncc(-c3ccccc3)cn2)cc1C ZINC000186061103 337253236 /nfs/dbraw/zinc/25/32/36/337253236.db2.gz CCVDRYAMOKNNNH-QGZVFWFLSA-N 0 0 317.436 4.611 10 0 DJAERN CCc1ccc([C@H](C)NCc2ncc(-c3ccccc3)cn2)cc1 ZINC000186053365 337253264 /nfs/dbraw/zinc/25/32/64/337253264.db2.gz JAJGDEUGXJKBIS-INIZCTEOSA-N 0 0 317.436 4.557 10 0 DJAERN Cc1cccc2c1[C@@H](C)C[C@@H]2Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186536994 337257340 /nfs/dbraw/zinc/25/73/40/337257340.db2.gz UVKPVUSUIHOSMA-UGSOOPFHSA-N 0 0 321.424 4.633 10 0 DJAERN C[C@@H]1CC[C@H](Nc2ccc3c(c2)CN(C)C(=O)N3)c2ccccc21 ZINC000186527734 337257392 /nfs/dbraw/zinc/25/73/92/337257392.db2.gz ZYFZZHRACREUMH-YJYMSZOUSA-N 0 0 321.424 4.714 10 0 DJAERN Cc1coc(-c2cc(NC(=O)Nc3ccsc3)ccc2C)n1 ZINC000186627861 337258123 /nfs/dbraw/zinc/25/81/23/337258123.db2.gz QNCSOIPQUXTAAV-UHFFFAOYSA-N 0 0 313.382 4.664 10 0 DJAERN C=Cc1c(C)c(C)c(Cc2ccc(Cl)cc2)cc1C(=O)OC ZINC000584598666 337370516 /nfs/dbraw/zinc/37/05/16/337370516.db2.gz COFAZWSRTKFOSI-UHFFFAOYSA-N 0 0 314.812 4.977 10 0 DJAERN Clc1cc2c(cc1Br)COc1ccccc1N2 ZINC000584601895 337370966 /nfs/dbraw/zinc/37/09/66/337370966.db2.gz DXQSKAMBOINXNV-UHFFFAOYSA-N 0 0 310.578 4.739 10 0 DJAERN CCOc1cc(-c2ccc(F)c(F)c2)c(C2CC2)cc1C=O ZINC000584611892 337372334 /nfs/dbraw/zinc/37/23/34/337372334.db2.gz RLUOFALGROVTTN-UHFFFAOYSA-N 0 0 302.320 4.720 10 0 DJAERN CCCCOP(=O)(OCCCC)OC[C@@H](CC)OCC ZINC000584616441 337372950 /nfs/dbraw/zinc/37/29/50/337372950.db2.gz VKRJILRSZNHZAV-CQSZACIVSA-N 0 0 310.371 4.560 10 0 DJAERN CCC/C(=C/c1nnc(-c2ccc(C=O)cc2)o1)c1ccccc1 ZINC000584592613 337373611 /nfs/dbraw/zinc/37/36/11/337373611.db2.gz UFIZAGGHJGPJSL-AQTBWJFISA-N 0 0 318.376 4.890 10 0 DJAERN CSc1ccc(C(O)(c2ccccc2)c2ccccc2)cc1 ZINC000584595702 337374078 /nfs/dbraw/zinc/37/40/78/337374078.db2.gz BGGZHPBKJQTUAX-UHFFFAOYSA-N 0 0 306.430 4.693 10 0 DJAERN COC(=O)c1ccccc1SCc1cc(C)c(C)cc1C ZINC000584597281 337374353 /nfs/dbraw/zinc/37/43/53/337374353.db2.gz MLUAVQIIWHXQDI-UHFFFAOYSA-N 0 0 300.423 4.691 10 0 DJAERN FC(F)=CCNc1cc(C(F)(F)F)ccc1Br ZINC000584624363 337375353 /nfs/dbraw/zinc/37/53/53/337375353.db2.gz ANXBUECQAJIBMB-UHFFFAOYSA-N 0 0 316.067 4.660 10 0 DJAERN Cc1sc(=S)n(-c2ccc(Br)cc2)c1C ZINC000584629826 337376576 /nfs/dbraw/zinc/37/65/76/337376576.db2.gz CYYMWMVUSKOYHV-UHFFFAOYSA-N 0 0 300.246 4.648 10 0 DJAERN CC(C)COc1ccc2c3ccc([C@H](C)O)c(F)c3oc2c1F ZINC000584632020 337376951 /nfs/dbraw/zinc/37/69/51/337376951.db2.gz FUIDPOBIIKNMIK-JTQLQIEISA-N 0 0 320.335 4.952 10 0 DJAERN CCc1cc(-c2ccc(NC(=O)Oc3ccccc3)cc2)ccn1 ZINC000584656595 337378146 /nfs/dbraw/zinc/37/81/46/337378146.db2.gz FJIVUJXKDXIZLU-UHFFFAOYSA-N 0 0 318.376 4.922 10 0 DJAERN C[C@@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)c1cccnc1 ZINC000035790814 337745559 /nfs/dbraw/zinc/74/55/59/337745559.db2.gz CFDSEEFULGAEPR-ZJUUUORDSA-N 0 0 313.203 4.939 10 0 DJAERN Cc1ccc([C@H](C)N[C@@H](C)c2ccccc2Br)o1 ZINC000036945593 337800441 /nfs/dbraw/zinc/80/04/41/337800441.db2.gz RKAMUQJUZOVWES-RYUDHWBXSA-N 0 0 308.219 4.762 10 0 DJAERN CCSc1ccc(Cl)cc1NC(=O)c1c(C)noc1CC ZINC000105377441 337808175 /nfs/dbraw/zinc/80/81/75/337808175.db2.gz DTTLDERNEZVGPL-UHFFFAOYSA-N 0 0 324.833 4.563 10 0 DJAERN Cc1nc(-c2cccc(N[C@@H](C)c3cncs3)c2)cs1 ZINC000165001705 339052746 /nfs/dbraw/zinc/05/27/46/339052746.db2.gz ONDBOTHMEXBJFW-JTQLQIEISA-N 0 0 301.440 4.748 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H](C)c2cccs2)o1 ZINC000173421225 340364604 /nfs/dbraw/zinc/36/46/04/340364604.db2.gz HYFQVSFWACYSNJ-KBPBESRZSA-N 0 0 318.442 4.647 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H](C)c2cccs2)o1 ZINC000173421239 340364734 /nfs/dbraw/zinc/36/47/34/340364734.db2.gz HYFQVSFWACYSNJ-UONOGXRCSA-N 0 0 318.442 4.647 10 0 DJAERN CSc1cccc(C)c1NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000184987282 340497099 /nfs/dbraw/zinc/49/70/99/340497099.db2.gz CBPDBHWLDKQEOX-GFCCVEGCSA-N 0 0 304.415 4.501 10 0 DJAERN C[C@@H](N[C@H](C)c1nc2ccccc2n1C)c1ccc(Cl)s1 ZINC000036992157 340729372 /nfs/dbraw/zinc/72/93/72/340729372.db2.gz LHQYLLNJVPKQNI-GHMZBOCLSA-N 0 0 319.861 4.700 10 0 DJAERN C[C@H](Nc1cccc(-n2cccn2)c1)c1ccc(Cl)s1 ZINC000037127461 340757907 /nfs/dbraw/zinc/75/79/07/340757907.db2.gz BBCVYTVYVOGCGB-NSHDSACASA-N 0 0 303.818 4.760 10 0 DJAERN C[C@@H](Nc1cccc(-n2cccn2)c1)c1ccc(Cl)s1 ZINC000037127462 340757936 /nfs/dbraw/zinc/75/79/36/340757936.db2.gz BBCVYTVYVOGCGB-LLVKDONJSA-N 0 0 303.818 4.760 10 0 DJAERN Cc1ccc(CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)cn1 ZINC000062051068 340785927 /nfs/dbraw/zinc/78/59/27/340785927.db2.gz JKYRGSTWIHJVNB-JTQLQIEISA-N 0 0 313.203 4.687 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@H](C)Cc2ccccc2)o1 ZINC000127548178 340852759 /nfs/dbraw/zinc/85/27/59/340852759.db2.gz XQTRQYDSNZOIPD-CRAIPNDOSA-N 0 0 311.425 4.520 10 0 DJAERN Cc1cccc(F)c1NC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000133542675 341177812 /nfs/dbraw/zinc/17/78/12/341177812.db2.gz BJELYHHUBQULPE-SNVBAGLBSA-N 0 0 324.758 4.809 10 0 DJAERN C[C@H](Nc1cncc(Br)c1)c1cccc(Cl)c1 ZINC000134624090 341220171 /nfs/dbraw/zinc/22/01/71/341220171.db2.gz BGMAOTUGDORQGC-VIFPVBQESA-N 0 0 311.610 4.671 10 0 DJAERN CC[C@H](c1ccncc1)N(CC)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246722408 341356342 /nfs/dbraw/zinc/35/63/42/341356342.db2.gz DEUCAGUZDOKHFZ-GBESFXJTSA-N 0 0 314.473 4.598 10 0 DJAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)[C@H](C)c2ccccn2)cc1 ZINC000246997885 341359594 /nfs/dbraw/zinc/35/95/94/341359594.db2.gz SHYQHLPXZCNQQV-MNEFBYGVSA-N 0 0 322.452 4.528 10 0 DJAERN CCc1c(SCc2ccccc2)cccc1N1CCCC1=O ZINC000097757679 517841835 /nfs/dbraw/zinc/84/18/35/517841835.db2.gz QRMSQIUMTKHYKM-UHFFFAOYSA-N 0 0 311.450 4.668 10 0 DJAERN CCOc1ccc(C(=O)c2cnc3ccccc3c2Cl)cc1 ZINC000085346414 520923807 /nfs/dbraw/zinc/92/38/07/520923807.db2.gz GGOVTLSGVHDEPC-UHFFFAOYSA-N 0 0 311.768 4.518 10 0 DJAERN CC[C@@H](NC(=O)N[C@@H](C)c1ccc(C)o1)c1ccc(Cl)cc1 ZINC000107708559 522736066 /nfs/dbraw/zinc/73/60/66/522736066.db2.gz CMMYOIDUINHPNN-SWLSCSKDSA-N 0 0 320.820 4.753 10 0 DJAERN C[C@H]1Cc2c(Cl)cccc2N(c2cnc3ccccc3c2)C1=O ZINC000090377000 524973779 /nfs/dbraw/zinc/97/37/79/524973779.db2.gz BERYAYYBKAVLFX-LBPRGKRZSA-N 0 0 322.795 4.745 10 0 DJAERN Cc1ccc([S@@](=O)[C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000156989913 526091545 /nfs/dbraw/zinc/09/15/45/526091545.db2.gz QJEWBKDWOKBCCA-JLCFBVMHSA-N 0 0 311.406 4.519 10 0 DJAERN Clc1cc(Cl)cc([C@]2(CC(Cl)(Cl)Cl)CO2)c1 ZINC000002004095 560185428 /nfs/dbraw/zinc/18/54/28/560185428.db2.gz IBZHOAONZVJLOB-VIFPVBQESA-N 0 0 320.430 4.979 10 0 in-vitro DJAERN Cc1ccc(O)c(-c2cc(C(F)(F)F)n(-c3ccccc3)n2)c1 ZINC000033413596 563445747 /nfs/dbraw/zinc/44/57/47/563445747.db2.gz DVJGHXOROOGAKW-UHFFFAOYSA-N 0 0 318.298 4.572 10 0 DJAERN O=C(Nc1nc2c(cccc2Cl)s1)Nc1ccc(F)cc1 ZINC000048524336 563698529 /nfs/dbraw/zinc/69/85/29/563698529.db2.gz ODVPUGKWYBANQD-UHFFFAOYSA-N 0 0 321.764 4.733 10 0 DJAERN Cc1ccc2cc(C(C)C)c(O)c3oc(=CC(C)C)c(=O)c1c23 ZINC000014679556 563911141 /nfs/dbraw/zinc/91/11/41/563911141.db2.gz WLCQIECMEDJZSS-HNNXBMFYSA-N 0 0 310.393 4.887 10 0 biogenic DJAERN COc1ccccc1OCc1cncc(-c2cccc(C)c2C)c1 ZINC000037553997 563918644 /nfs/dbraw/zinc/91/86/44/563918644.db2.gz CXQFDQJCIVSEDX-UHFFFAOYSA-N 0 0 319.404 4.953 10 0 DJAERN CCCCN(CC)c1cc(Oc2cccc(Cl)c2)ncn1 ZINC000037623604 563919290 /nfs/dbraw/zinc/91/92/90/563919290.db2.gz ICAPMHGWASWHDW-UHFFFAOYSA-N 0 0 305.809 4.549 10 0 DJAERN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC1CCCC1 ZINC000048544722 563924074 /nfs/dbraw/zinc/92/40/74/563924074.db2.gz ZCUFKDOZVPWPSV-ZRDIBKRKSA-N 0 0 315.800 4.672 10 0 DJAERN Fc1cccc(-c2nc(COc3cccc4ccccc43)no2)c1 ZINC000034906982 563961929 /nfs/dbraw/zinc/96/19/29/563961929.db2.gz DIJFPBUTUXDOIK-UHFFFAOYSA-N 0 0 320.323 4.608 10 0 DJAERN Cc1cc2c(ccnc2N[C@H](C)c2cn(C(C)(C)C)nc2C)o1 ZINC000130446037 334926293 /nfs/dbraw/zinc/92/62/93/334926293.db2.gz JSWHUBYBTKITFM-GFCCVEGCSA-N 0 0 312.417 4.569 10 0 DJAERN Cc1ccc(CNc2cc(-c3ccccc3)nc(Cl)n2)cc1 ZINC000082501848 185187272 /nfs/dbraw/zinc/18/72/72/185187272.db2.gz CURIHKCWFAKBKA-UHFFFAOYSA-N 0 0 309.800 4.718 10 0 DJAERN CSc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000083291431 185221776 /nfs/dbraw/zinc/22/17/76/185221776.db2.gz LBCOBZHVVMFXFX-UHFFFAOYSA-N 0 0 310.340 4.853 10 0 DJAERN C[C@H]1N=C(c2cnc3ccccc3c2)c2cccc(F)c2[C@@H]1C ZINC000090400207 185294430 /nfs/dbraw/zinc/29/44/30/185294430.db2.gz INJFTAYADQUFCT-CHWSQXEVSA-N 0 0 304.368 4.717 10 0 DJAERN C[C@@H]1c2c(F)cccc2C(c2cnc3ccccc3c2)=N[C@H]1C ZINC000090400212 185294493 /nfs/dbraw/zinc/29/44/93/185294493.db2.gz INJFTAYADQUFCT-STQMWFEESA-N 0 0 304.368 4.717 10 0 DJAERN CC1(C)CC(=O)N(c2cnc3ccccc3c2)c2c(F)cccc21 ZINC000090649166 185307921 /nfs/dbraw/zinc/30/79/21/185307921.db2.gz UCYJATOFFUGREU-UHFFFAOYSA-N 0 0 320.367 4.720 10 0 DJAERN Cc1cccc2c1N(c1cnc3ccccc3c1)C(=O)CC2(C)C ZINC000090649164 185307933 /nfs/dbraw/zinc/30/79/33/185307933.db2.gz ZYPXHNOTBTXFFE-UHFFFAOYSA-N 0 0 316.404 4.889 10 0 DJAERN COc1cccc(/C=C/C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000006232136 190622486 /nfs/dbraw/zinc/62/24/86/190622486.db2.gz VTWAHZVITRSDHM-VAWYXSNFSA-N 0 0 309.409 4.779 10 0 DJAERN Brc1ccccc1Oc1nc2ccccc2s1 ZINC000019806532 190644741 /nfs/dbraw/zinc/64/47/41/190644741.db2.gz JPRLEHAOOKYCMM-UHFFFAOYSA-N 0 0 306.184 4.851 10 0 DJAERN c1ccc(Nc2nc(N3CCCCCC3)nc3ccccc32)cc1 ZINC000072260400 191089017 /nfs/dbraw/zinc/08/90/17/191089017.db2.gz VEXBBDCCGHRDOD-UHFFFAOYSA-N 0 0 318.424 4.754 10 0 DJAERN CC(C)(C)c1cc(C(C)(C)C)n(C(=O)c2ccc(Cl)cc2)n1 ZINC000000113108 180696883 /nfs/dbraw/zinc/69/68/83/180696883.db2.gz XXFDWJHUHRBWQH-UHFFFAOYSA-N 0 0 318.848 4.820 10 0 DJAERN COc1ccc(Nc2nccc(-c3ccccc3Cl)n2)cc1 ZINC000072443577 191168667 /nfs/dbraw/zinc/16/86/67/191168667.db2.gz LPJPFEPBDKVALK-UHFFFAOYSA-N 0 0 311.772 4.549 10 0 DJAERN COc1ccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000072443542 191168927 /nfs/dbraw/zinc/16/89/27/191168927.db2.gz OHGBILNRIZCPCO-UHFFFAOYSA-N 0 0 311.772 4.549 10 0 DJAERN c1ccc2c(c1)CCN2c1nccc(-c2cccc3ccccc32)n1 ZINC000072443418 191167276 /nfs/dbraw/zinc/16/72/76/191167276.db2.gz OKKDBDRLNPAJPP-UHFFFAOYSA-N 0 0 323.399 4.991 10 0 DJAERN CC(C)c1ccc(C(=O)Oc2ccc(Br)cc2)cc1 ZINC000001284224 180853334 /nfs/dbraw/zinc/85/33/34/180853334.db2.gz VWAJUJPLPSSFNO-UHFFFAOYSA-N 0 0 319.198 4.792 10 0 DJAERN CCCCOc1ccc(/C=C/C(=O)Nc2cccc(C)c2)cc1 ZINC000001930416 180902873 /nfs/dbraw/zinc/90/28/73/180902873.db2.gz IVKXFFQVNFHAIC-JLHYYAGUSA-N 0 0 309.409 4.826 10 0 DJAERN CC(C)c1ccc([C@H]2C[C@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000002471983 180925605 /nfs/dbraw/zinc/92/56/05/180925605.db2.gz BNGZETRVRNXJIF-RTBURBONSA-N 0 0 318.424 4.548 10 0 DJAERN Cc1cc2nc(NC(=O)c3ccc(C)c(C)c3)sc2c(C)c1 ZINC000004331062 181098457 /nfs/dbraw/zinc/09/84/57/181098457.db2.gz XJYBQGANRLRTPO-UHFFFAOYSA-N 0 0 310.422 4.782 10 0 DJAERN CCCCC(=O)Nc1nc2c(cc(Cl)cc2Cl)s1 ZINC000004331266 181098832 /nfs/dbraw/zinc/09/88/32/181098832.db2.gz SQYUKNREWXCPJQ-UHFFFAOYSA-N 0 0 303.214 4.732 10 0 DJAERN Clc1ccc(-c2nc(Cl)cc(-c3ccccn3)n2)cc1 ZINC000073695403 191342395 /nfs/dbraw/zinc/34/23/95/191342395.db2.gz MTWQUEFACFJVTA-UHFFFAOYSA-N 0 0 302.164 4.512 10 0 DJAERN Clc1cccc(-c2nc(Cl)cc(-c3ccccn3)n2)c1 ZINC000073695381 191343302 /nfs/dbraw/zinc/34/33/02/191343302.db2.gz AEZQPPNACKYLBT-UHFFFAOYSA-N 0 0 302.164 4.512 10 0 DJAERN C[NH+](C)CCSc1nc2ccccc2cc1-c1ccccc1 ZINC000005140456 181208927 /nfs/dbraw/zinc/20/89/27/181208927.db2.gz HYOLQGVNMQNERE-UHFFFAOYSA-N 0 0 308.450 4.556 10 0 in-vitro DJAERN CCCC[C@@H](c1nc2ccccc2s1)n1nnc2ccccc21 ZINC000005309783 181228319 /nfs/dbraw/zinc/22/83/19/181228319.db2.gz PELANUNUIMKZFL-INIZCTEOSA-N 0 0 322.437 4.821 10 0 DJAERN CCCCC(CCCC)(c1ccccn1)n1nnc2ccccc21 ZINC000005308304 181228324 /nfs/dbraw/zinc/22/83/24/181228324.db2.gz HCHXMWIUOLFHFI-UHFFFAOYSA-N 0 0 322.456 4.950 10 0 DJAERN CCCC[C@H](c1cc2ccccc2[nH]1)n1nnc2ccccc21 ZINC000005310062 181228484 /nfs/dbraw/zinc/22/84/84/181228484.db2.gz MWSVKBXQUQEDJZ-LJQANCHMSA-N 0 0 304.397 4.692 10 0 DJAERN O=C1C[C@H](c2ccccc2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000005489779 181249343 /nfs/dbraw/zinc/24/93/43/181249343.db2.gz RETUFDGISIPSFZ-IRLDBZIGSA-N 0 0 313.400 4.948 10 0 DJAERN CC(C)=CCN1Cc2c3c(ccc2Cl)[nH]c(=S)n3C[C@H]1C ZINC000005550920 181255946 /nfs/dbraw/zinc/25/59/46/181255946.db2.gz ZNFFMCYSMBXZQU-LLVKDONJSA-N 0 0 321.877 4.523 10 0 in-man DJAERN Cc1cccc(NC(=S)N2CCC(Cc3ccccc3)CC2)c1 ZINC000005571190 181258530 /nfs/dbraw/zinc/25/85/30/181258530.db2.gz ZMHVPGIFHRNBPF-UHFFFAOYSA-N 0 0 324.493 4.647 10 0 DJAERN O=C(/C=C/c1ccccc1)n1c2ccccc2c2c1CCCC2 ZINC000005584557 181260673 /nfs/dbraw/zinc/26/06/73/181260673.db2.gz LRVBKNXNOBFFEO-CCEZHUSRSA-N 0 0 301.389 4.874 10 0 DJAERN CCCCCOc1ccc(NCCC(=O)c2ccccc2)cc1 ZINC000005792507 181284495 /nfs/dbraw/zinc/28/44/95/181284495.db2.gz BQPQIIORTCJIDW-UHFFFAOYSA-N 0 0 311.425 4.941 10 0 DJAERN CCCCCC1CCC(C(=O)Oc2ccc(OC)cc2)CC1 ZINC000005820214 181286990 /nfs/dbraw/zinc/28/69/90/181286990.db2.gz HJIVFZUPTYADSP-UHFFFAOYSA-N 0 0 304.430 4.987 10 0 DJAERN CC(C)c1ccccc1NC(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000191280908 334986812 /nfs/dbraw/zinc/98/68/12/334986812.db2.gz CQWFINODEKUKOL-SFHVURJKSA-N 0 0 324.424 4.715 10 0 DJAERN CCc1onc(C)c1NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000089411802 192782373 /nfs/dbraw/zinc/78/23/73/192782373.db2.gz NGDGRLHTABAVMT-GFCCVEGCSA-N 0 0 323.396 4.581 10 0 DJAERN CC[C@H](N[C@@H](c1nc(C2CC2)no1)C(C)C)c1ccc(F)cc1 ZINC000089670856 192840452 /nfs/dbraw/zinc/84/04/52/192840452.db2.gz NXQMLUAZKQCSDS-JKSUJKDBSA-N 0 0 317.408 4.524 10 0 DJAERN Cc1ccccc1-c1nnc(COc2ccc3ccccc3c2)[nH]1 ZINC000005982062 181303529 /nfs/dbraw/zinc/30/35/29/181303529.db2.gz JSOFLSNHYPOSKW-UHFFFAOYSA-N 0 0 315.376 4.512 10 0 DJAERN COC(=O)c1cc(-c2ccc(C)cc2)nc2c(C)cc(C)cc12 ZINC000006277514 181325580 /nfs/dbraw/zinc/32/55/80/181325580.db2.gz LRGDDWDKTOVIOG-UHFFFAOYSA-N 0 0 305.377 4.614 10 0 DJAERN C/C(=C\c1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000006301371 181328058 /nfs/dbraw/zinc/32/80/58/181328058.db2.gz BHJFQVHCXVLDGU-FBMGVBCBSA-N 0 0 319.448 4.571 10 0 DJAERN C/C(=C\c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000006301969 181327745 /nfs/dbraw/zinc/32/77/45/181327745.db2.gz OECOHTLTOQUBNW-WYMLVPIESA-N 0 0 320.417 4.852 10 0 DJAERN Cc1c2ccccc2oc1C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000006335662 181331166 /nfs/dbraw/zinc/33/11/66/181331166.db2.gz CMMUSJMGAHZZJX-GFCCVEGCSA-N 0 0 313.784 4.886 10 0 DJAERN CCc1sc(NC(=O)C(CC)CC)nc1-c1ccccc1 ZINC000006397862 181337180 /nfs/dbraw/zinc/33/71/80/181337180.db2.gz JQKMEWAHDCAUJK-UHFFFAOYSA-N 0 0 302.443 4.747 10 0 DJAERN Cc1ccccc1N1C(=O)c2ccccc2N[C@@H]1C1CCCCC1 ZINC000006632655 181362994 /nfs/dbraw/zinc/36/29/94/181362994.db2.gz RZTPJYOVIKRDPP-FQEVSTJZSA-N 0 0 320.436 4.974 10 0 DJAERN COc1cccc(C(=O)N(C2CCCCC2)C2CCCCC2)c1 ZINC000006794029 181390296 /nfs/dbraw/zinc/39/02/96/181390296.db2.gz INRBPVIBTPLKCD-UHFFFAOYSA-N 0 0 315.457 4.803 10 0 DJAERN Brc1ccc(/C=C/c2nc3ccccc3s2)o1 ZINC000211755743 201441341 /nfs/dbraw/zinc/44/13/41/201441341.db2.gz VSOWAUZXJSRIBB-SOFGYWHQSA-N 0 0 306.184 4.822 10 0 DJAERN CNc1cc(-c2ccccc2C)nc(-c2ccc(Cl)cc2)n1 ZINC000211712064 201441550 /nfs/dbraw/zinc/44/15/50/201441550.db2.gz HGCJGRXJBZDCCP-UHFFFAOYSA-N 0 0 309.800 4.814 10 0 DJAERN CN(C)c1ccc(NC(=O)c2cccc(-c3cccs3)c2)cc1 ZINC000006910998 181404958 /nfs/dbraw/zinc/40/49/58/181404958.db2.gz UJNSWEZWTAEAQB-UHFFFAOYSA-N 0 0 322.433 4.733 10 0 DJAERN Cc1ccccc1C(=O)Oc1c(C)cc(Br)cc1C ZINC000006925082 181407073 /nfs/dbraw/zinc/40/70/73/181407073.db2.gz CHKGGGADIVTISP-UHFFFAOYSA-N 0 0 319.198 4.594 10 0 DJAERN CC[C@H](C)C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C ZINC000007343511 181455849 /nfs/dbraw/zinc/45/58/49/181455849.db2.gz WTCJJCJQBMWSBR-LBPRGKRZSA-N 0 0 307.397 4.523 10 0 DJAERN Cc1cc2nc(NC(=O)c3cc4ccccc4o3)sc2cc1C ZINC000007613924 181479696 /nfs/dbraw/zinc/47/96/96/181479696.db2.gz PFSSZNMQJHIWNF-UHFFFAOYSA-N 0 0 322.389 4.912 10 0 DJAERN CC(C)Oc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000007668965 181485167 /nfs/dbraw/zinc/48/51/67/181485167.db2.gz TWWXZOUHCLPOHY-UHFFFAOYSA-N 0 0 305.377 4.879 10 0 DJAERN CCCCOc1ccc(NC(=O)c2cccc(OCC)c2)cc1 ZINC000008159094 181531722 /nfs/dbraw/zinc/53/17/22/181531722.db2.gz LYVDYNZWAJVXTK-UHFFFAOYSA-N 0 0 313.397 4.517 10 0 DJAERN C[C@H]1CCCC[C@@H]1NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000013822249 181902241 /nfs/dbraw/zinc/90/22/41/181902241.db2.gz HZXSMOQVZDXRAV-ZANVPECISA-N 0 0 317.285 4.859 10 0 DJAERN C[C@@H]1C[C@H](C)CN(C(=S)Nc2ccc(Cl)cc2Cl)C1 ZINC000013827256 181903761 /nfs/dbraw/zinc/90/37/61/181903761.db2.gz DJLCISWNLHVNME-AOOOYVTPSA-N 0 0 317.285 4.668 10 0 DJAERN CCc1ccc([C@@H](C)NC(=S)Nc2ccc(C)c(C)c2)cc1 ZINC000013931046 181910519 /nfs/dbraw/zinc/91/05/19/181910519.db2.gz CYQVTXKQCYECKT-OAHLLOKOSA-N 0 0 312.482 4.913 10 0 DJAERN CCCCOc1cccc(C(=O)Nc2ccccc2Cl)c1 ZINC000014041537 181922554 /nfs/dbraw/zinc/92/25/54/181922554.db2.gz VCZULFOCJMZJAO-UHFFFAOYSA-N 0 0 303.789 4.771 10 0 DJAERN Cc1ccc2cc(C(C)C)c(O)c3oc(=CC(C)C)c(=O)c1c23 ZINC000014679554 181965297 /nfs/dbraw/zinc/96/52/97/181965297.db2.gz WLCQIECMEDJZSS-OAHLLOKOSA-N 0 0 310.393 4.887 10 0 biogenic DJAERN COc1cccc(/C=C/C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000015412415 182000587 /nfs/dbraw/zinc/00/05/87/182000587.db2.gz MLVWCLWACFUJRP-VMPITWQZSA-N 0 0 322.191 4.654 10 0 DJAERN O=C(CCC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl ZINC000015588177 182008088 /nfs/dbraw/zinc/00/80/88/182008088.db2.gz QVGMIJQNSMTFLP-UHFFFAOYSA-N 0 0 322.191 4.595 10 0 DJAERN C[C@@H](NC(=O)Cc1cccc2ccccc21)c1cccc(Cl)c1 ZINC000017908509 182087518 /nfs/dbraw/zinc/08/75/18/182087518.db2.gz ZZOHYVAPJRKCKJ-CQSZACIVSA-N 0 0 323.823 4.913 10 0 DJAERN C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc2ccccc2c1 ZINC000017962628 182088469 /nfs/dbraw/zinc/08/84/69/182088469.db2.gz QSYIWVNMYWDQQD-AWEZNQCLSA-N 0 0 314.388 4.812 10 0 DJAERN Oc1ccc(CNc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000019231096 182109523 /nfs/dbraw/zinc/10/95/23/182109523.db2.gz IQMCOWMXYKGKPC-UHFFFAOYSA-N 0 0 301.695 4.677 10 0 DJAERN COc1cccc(C(=O)c2c(N)sc(C)c2-c2ccccc2)c1 ZINC000019776378 182146918 /nfs/dbraw/zinc/14/69/18/182146918.db2.gz QZMKZQQPUJWCGX-UHFFFAOYSA-N 0 0 323.417 4.545 10 0 DJAERN CCC[C@H](C)C(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 ZINC000019815754 182153216 /nfs/dbraw/zinc/15/32/16/182153216.db2.gz KUYPUPIFQLGWLW-ZDUSSCGKSA-N 0 0 308.381 4.870 10 0 DJAERN Cc1cccc(-c2nc3ccc(NC(=O)C(C)(C)C)cc3o2)c1 ZINC000019815656 182153461 /nfs/dbraw/zinc/15/34/61/182153461.db2.gz LFOIPBSGVLGARD-UHFFFAOYSA-N 0 0 308.381 4.788 10 0 DJAERN COc1ccc([C@@H](C)Nc2ccc(C)cc2Br)cc1 ZINC000019901628 182162340 /nfs/dbraw/zinc/16/23/40/182162340.db2.gz DEJYCJSJWHZOFE-GFCCVEGCSA-N 0 0 320.230 4.939 10 0 DJAERN CC[C@H](Nc1ccc(Br)cc1F)c1ccc(O)cc1 ZINC000019908022 182162864 /nfs/dbraw/zinc/16/28/64/182162864.db2.gz QXVHXZXWHBENJR-AWEZNQCLSA-N 0 0 324.193 4.857 10 0 DJAERN C[C@H](Nc1cc(F)ccc1F)c1cccc(Br)c1 ZINC000019907809 182162957 /nfs/dbraw/zinc/16/29/57/182162957.db2.gz ZBKXBXWHKPYZNE-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN Fc1cc(Br)ccc1N[C@@H]1CCc2ccccc21 ZINC000019908010 182162991 /nfs/dbraw/zinc/16/29/91/182162991.db2.gz WMSNUOVEKNMPBA-CQSZACIVSA-N 0 0 306.178 4.688 10 0 DJAERN COc1cccc([C@H](C)Nc2ccc(Br)cc2F)c1 ZINC000019908015 182163125 /nfs/dbraw/zinc/16/31/25/182163125.db2.gz WLQXWDGDDMKLHV-JTQLQIEISA-N 0 0 324.193 4.770 10 0 DJAERN Cc1cc(Br)ccc1N[C@H](C)c1cccc(O)c1 ZINC000019905631 182163175 /nfs/dbraw/zinc/16/31/75/182163175.db2.gz GYOCCJSDXMGFOH-LLVKDONJSA-N 0 0 306.203 4.636 10 0 DJAERN C[C@H](Nc1ccccc1Br)c1c(F)cccc1F ZINC000019922624 182164271 /nfs/dbraw/zinc/16/42/71/182164271.db2.gz RGHGERJPXIQLTH-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN COc1ccc([C@@H](C)Nc2ccccc2Br)cc1F ZINC000019922936 182164526 /nfs/dbraw/zinc/16/45/26/182164526.db2.gz CEHNSEHGEOYLQH-SNVBAGLBSA-N 0 0 324.193 4.770 10 0 DJAERN COc1ccccc1[C@H](C)Nc1ccccc1Br ZINC000019922607 182164581 /nfs/dbraw/zinc/16/45/81/182164581.db2.gz SDXRNBZSHUQZPH-NSHDSACASA-N 0 0 306.203 4.631 10 0 DJAERN Cc1cc2c(ncnc2Nc2cccc3c(O)cccc23)s1 ZINC000019948630 182169383 /nfs/dbraw/zinc/16/93/83/182169383.db2.gz ZBSQQBVHBBTPHK-UHFFFAOYSA-N 0 0 307.378 4.602 10 0 DJAERN Cc1cc2c(ncnc2Nc2ccc(OCC(C)C)cc2)s1 ZINC000019948746 182169495 /nfs/dbraw/zinc/16/94/95/182169495.db2.gz SINBMYGIYHEWRR-UHFFFAOYSA-N 0 0 313.426 4.778 10 0 DJAERN COc1cc(Cl)c(C)cc1Nc1ncnc2sc(C)cc21 ZINC000019948602 182169659 /nfs/dbraw/zinc/16/96/59/182169659.db2.gz KWFUFYGUHDFHTF-UHFFFAOYSA-N 0 0 319.817 4.714 10 0 DJAERN C[C@H](Nc1cccc(Br)c1)c1c(F)cccc1F ZINC000019941741 182167824 /nfs/dbraw/zinc/16/78/24/182167824.db2.gz NLGQPONKXXNANV-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN C[C@@H](CCc1ccc(O)cc1)Nc1cccc(Br)c1 ZINC000019941820 182167918 /nfs/dbraw/zinc/16/79/18/182167918.db2.gz ZLJOZLSSQQAMLL-LBPRGKRZSA-N 0 0 320.230 4.588 10 0 DJAERN COc1ccc([C@@H](C)Nc2cccc(Br)c2)cc1F ZINC000019941939 182168169 /nfs/dbraw/zinc/16/81/69/182168169.db2.gz NHKQAYPYYNSREB-SNVBAGLBSA-N 0 0 324.193 4.770 10 0 DJAERN C[C@H](CCc1ccccc1)Nc1ccc(Br)cc1 ZINC000020008178 182176849 /nfs/dbraw/zinc/17/68/49/182176849.db2.gz MWYOHQJKJYRIJS-CYBMUJFWSA-N 0 0 304.231 4.882 10 0 DJAERN Cc1ccc(CNc2ccc(Br)cc2F)s1 ZINC000020088257 182186289 /nfs/dbraw/zinc/18/62/89/182186289.db2.gz JIBAPXZYXWQKPQ-UHFFFAOYSA-N 0 0 300.196 4.570 10 0 DJAERN Fc1ccc(CNc2ccc3[nH]ccc3c2)cc1Br ZINC000020132724 182191004 /nfs/dbraw/zinc/19/10/04/182191004.db2.gz KXUPIKKYWXUSRL-UHFFFAOYSA-N 0 0 319.177 4.682 10 0 DJAERN Cc1ccc(Oc2ccc(C=O)cc2F)c(Br)c1 ZINC000020079667 182184943 /nfs/dbraw/zinc/18/49/43/182184943.db2.gz RLKYSGIDDZLTFQ-UHFFFAOYSA-N 0 0 309.134 4.501 10 0 DJAERN Brc1ccccc1NCc1ccc2ccccc2n1 ZINC000020246273 182199936 /nfs/dbraw/zinc/19/99/36/182199936.db2.gz IMYVVKVCVQFSRB-UHFFFAOYSA-N 0 0 313.198 4.609 10 0 DJAERN CC(C)c1cccc(NCC(=O)Nc2ccccc2Cl)c1 ZINC000020302968 182204635 /nfs/dbraw/zinc/20/46/35/182204635.db2.gz MTSZWFQMSYXXLB-UHFFFAOYSA-N 0 0 302.805 4.514 10 0 DJAERN Nc1nc(-c2ccccc2OCc2cccc(Cl)c2)cs1 ZINC000020331978 182208343 /nfs/dbraw/zinc/20/83/43/182208343.db2.gz FNARJWKINWZKOK-UHFFFAOYSA-N 0 0 316.813 4.625 10 0 DJAERN Cc1ccc(CNc2ccc(F)cc2Br)c(C)c1 ZINC000020430650 182216283 /nfs/dbraw/zinc/21/62/83/182216283.db2.gz CCDZUEKAFKBALG-UHFFFAOYSA-N 0 0 308.194 4.817 10 0 DJAERN Oc1cccc(CNc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000020505062 182225428 /nfs/dbraw/zinc/22/54/28/182225428.db2.gz SRTTWSXVKYMUFX-UHFFFAOYSA-N 0 0 302.588 4.965 10 0 DJAERN Fc1ccc(OC/C=C/c2ccccc2)c(Br)c1 ZINC000020551993 182230984 /nfs/dbraw/zinc/23/09/84/182230984.db2.gz VXUBGOLTRRGOTC-QPJJXVBHSA-N 0 0 307.162 4.680 10 0 DJAERN Cc1ccc(-c2ccc(CNCc3ccccn3)o2)cc1Cl ZINC000020876626 182251253 /nfs/dbraw/zinc/25/12/53/182251253.db2.gz STCOKEVSBUVKAK-UHFFFAOYSA-N 0 0 312.800 4.593 10 0 DJAERN Cc1cc(NC[C@@H](C)c2ccccc2)ccc1Br ZINC000021015243 182260629 /nfs/dbraw/zinc/26/06/29/182260629.db2.gz SRXAMYKFTJAVPO-CYBMUJFWSA-N 0 0 304.231 4.973 10 0 DJAERN CC[C@@H](C)C(=O)Nc1cccc(-c2nc3cc(C)ccc3[nH]2)c1 ZINC000021024085 182261744 /nfs/dbraw/zinc/26/17/44/182261744.db2.gz HOFNQVHOXLSTKY-CYBMUJFWSA-N 0 0 307.397 4.523 10 0 DJAERN Fc1cccc(Cl)c1CNc1cccc(Br)c1 ZINC000021513316 182276350 /nfs/dbraw/zinc/27/63/50/182276350.db2.gz CRJKDCGTSXBGRX-UHFFFAOYSA-N 0 0 314.585 4.854 10 0 DJAERN Cc1nc(CNc2ccc(Cl)cc2C(F)(F)F)cs1 ZINC000021803865 182291335 /nfs/dbraw/zinc/29/13/35/182291335.db2.gz YFLIYZUAZBQIPS-UHFFFAOYSA-N 0 0 306.740 4.736 10 0 DJAERN Cc1noc(C)c1CNc1cc(Cl)c(Cl)cc1Cl ZINC000021816633 182293116 /nfs/dbraw/zinc/29/31/16/182293116.db2.gz ITWKTZMBYMWSCL-UHFFFAOYSA-N 0 0 305.592 4.864 10 0 DJAERN CC(C)c1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 ZINC000022865723 182338803 /nfs/dbraw/zinc/33/88/03/182338803.db2.gz LZZLLNIHUXITLR-UHFFFAOYSA-N 0 0 323.421 4.581 10 0 DJAERN C[C@H](NC(=O)CCc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000023975965 182370776 /nfs/dbraw/zinc/37/07/76/182370776.db2.gz STHBNPPZQGWBGR-LBPRGKRZSA-N 0 0 322.235 4.803 10 0 DJAERN Cc1cccc(C)c1NC(=O)c1cccnc1-c1cccs1 ZINC000033139023 182694853 /nfs/dbraw/zinc/69/48/53/182694853.db2.gz QESSGZOAKMVCPT-UHFFFAOYSA-N 0 0 308.406 4.679 10 0 DJAERN CCCC[C@H](CC)CNC(=O)/C=C\c1c(F)cccc1Cl ZINC000033455972 182713413 /nfs/dbraw/zinc/71/34/13/182713413.db2.gz YWYILLIUDQFGTR-OEYXZAGESA-N 0 0 311.828 4.825 10 0 DJAERN Nc1cc(Br)ccc1Sc1ccc2c(c1)CCC2 ZINC000036926400 182853215 /nfs/dbraw/zinc/85/32/15/182853215.db2.gz MLNJKZOTHUVNSA-UHFFFAOYSA-N 0 0 320.255 4.671 10 0 DJAERN Nc1cccc(Cl)c1Nc1cc(Br)ccc1F ZINC000036751738 182840767 /nfs/dbraw/zinc/84/07/67/182840767.db2.gz LIBQQRKJZPQUSU-UHFFFAOYSA-N 0 0 315.573 4.567 10 0 DJAERN Cc1ccc(CSc2ccc(Br)cc2N)cc1 ZINC000037205782 182872022 /nfs/dbraw/zinc/87/20/22/182872022.db2.gz PCDQDWJVPSXPCA-UHFFFAOYSA-N 0 0 308.244 4.632 10 0 DJAERN COc1cc(Br)cc(C)c1N[C@@H](C)c1ccc(C)o1 ZINC000037776764 182924691 /nfs/dbraw/zinc/92/46/91/182924691.db2.gz CVGWLRLLWNIVDY-NSHDSACASA-N 0 0 324.218 4.841 10 0 DJAERN COc1cc(Br)cc(C)c1NCc1ccccc1F ZINC000037776713 182925065 /nfs/dbraw/zinc/92/50/65/182925065.db2.gz DYJHOHRJGVDDIC-UHFFFAOYSA-N 0 0 324.193 4.517 10 0 DJAERN Fc1cccc2c(Nc3ccc(Br)cc3)ccnc12 ZINC000039963694 183025891 /nfs/dbraw/zinc/02/58/91/183025891.db2.gz AWKFICYSYIDYOL-UHFFFAOYSA-N 0 0 317.161 4.880 10 0 DJAERN CCc1ccc(C(=O)Oc2ccc(Cl)c3cccnc23)cc1 ZINC000040165880 183042612 /nfs/dbraw/zinc/04/26/12/183042612.db2.gz NTBZEFMFIWTVPB-UHFFFAOYSA-N 0 0 311.768 4.670 10 0 DJAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1ccccc1F ZINC000040178816 183044089 /nfs/dbraw/zinc/04/40/89/183044089.db2.gz VNPGOVFQZGOLEX-UHFFFAOYSA-N 0 0 313.303 4.786 10 0 DJAERN Cc1cccc(C(=O)Nc2cc(C)nc3c(C)cc(C)cc23)c1 ZINC000040177085 183044494 /nfs/dbraw/zinc/04/44/94/183044494.db2.gz ZHMZTFLVHXIHFP-UHFFFAOYSA-N 0 0 304.393 4.721 10 0 DJAERN CCc1nc2ccccc2n1CCCOc1c(C)cccc1C ZINC000040227391 183047923 /nfs/dbraw/zinc/04/79/23/183047923.db2.gz NIPRUJSAYSQISY-UHFFFAOYSA-N 0 0 308.425 4.685 10 0 DJAERN CCCCn1c(COc2ccc(CC)cc2)nc2ccccc21 ZINC000040234977 183048559 /nfs/dbraw/zinc/04/85/59/183048559.db2.gz XXHAVXBVSOIXDP-UHFFFAOYSA-N 0 0 308.425 4.978 10 0 DJAERN CC(C)Cn1c(COc2ccccc2Cl)nc2ccccc21 ZINC000040232825 183048579 /nfs/dbraw/zinc/04/85/79/183048579.db2.gz IVWWZBRNGKLFPA-UHFFFAOYSA-N 0 0 314.816 4.925 10 0 DJAERN O=C(Cn1c2ccccc2nc1-c1ccccc1)c1ccccc1 ZINC000040239432 183048680 /nfs/dbraw/zinc/04/86/80/183048680.db2.gz OUGQRMZZZXBQBL-UHFFFAOYSA-N 0 0 312.372 4.586 10 0 DJAERN Cc1cccc(OCCn2c3ccccc3nc2C2CC2)c1C ZINC000040231603 183048689 /nfs/dbraw/zinc/04/86/89/183048689.db2.gz CKYPBDQIEDLPEA-UHFFFAOYSA-N 0 0 306.409 4.610 10 0 DJAERN Cc1cc(C)cc(OCCCn2c3ccccc3nc2C2CC2)c1 ZINC000040231639 183048756 /nfs/dbraw/zinc/04/87/56/183048756.db2.gz BTPOJPSOXKVNHL-UHFFFAOYSA-N 0 0 320.436 5.000 10 0 DJAERN Cc1c(Cl)ccc2c(NC(=O)c3cccc(F)c3)ccnc12 ZINC000040359237 183056029 /nfs/dbraw/zinc/05/60/29/183056029.db2.gz NDTIKTDCCDABND-UHFFFAOYSA-N 0 0 314.747 4.588 10 0 DJAERN COCCCn1c2ccc(Cl)cc2nc1C1CCCCC1 ZINC000040402833 183061401 /nfs/dbraw/zinc/06/14/01/183061401.db2.gz SSWBNCCLHRMHAH-UHFFFAOYSA-N 0 0 306.837 4.774 10 0 DJAERN CCOCCn1c2cc(Cl)ccc2nc1C1CCCCC1 ZINC000040405130 183062417 /nfs/dbraw/zinc/06/24/17/183062417.db2.gz AGMMAPHOCUNJHD-UHFFFAOYSA-N 0 0 306.837 4.774 10 0 DJAERN CCOc1ccc(-c2cn3cc(Cl)cc(Cl)c3n2)cc1 ZINC000040715137 183123014 /nfs/dbraw/zinc/12/30/14/183123014.db2.gz CAWZQLFBAGIEPC-UHFFFAOYSA-N 0 0 307.180 4.707 10 0 DJAERN CC(C)c1ccc(Oc2ncnc(Nc3ccccc3)c2N)cc1 ZINC000040727389 183125583 /nfs/dbraw/zinc/12/55/83/183125583.db2.gz ZKSUDZFBCHJWNV-UHFFFAOYSA-N 0 0 320.396 4.718 10 0 DJAERN CC(C)=CC(=O)Nc1nc(-c2ccc(OC(C)C)cc2)cs1 ZINC000040925653 183149166 /nfs/dbraw/zinc/14/91/66/183149166.db2.gz IHAULFBQPFPCSS-UHFFFAOYSA-N 0 0 316.426 4.502 10 0 DJAERN CCOc1ccccc1-c1cn2c(n1)sc1cccc(C)c12 ZINC000040964518 183152094 /nfs/dbraw/zinc/15/20/94/183152094.db2.gz QCYYKOYCPCZTTO-UHFFFAOYSA-N 0 0 308.406 4.923 10 0 DJAERN CCCCOc1ccc(-c2cn3nc(C4CC4)sc3n2)cc1 ZINC000040963976 183152301 /nfs/dbraw/zinc/15/23/01/183152301.db2.gz ROFVMXYKWOCSHJ-UHFFFAOYSA-N 0 0 313.426 4.514 10 0 DJAERN COc1ccc2sc(C(=O)Oc3ccccc3)c(Cl)c2c1 ZINC000041008001 183155747 /nfs/dbraw/zinc/15/57/47/183155747.db2.gz OZEQAXOJINHXTC-UHFFFAOYSA-N 0 0 318.781 4.783 10 0 DJAERN CC(C)Oc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1 ZINC000041005650 183155811 /nfs/dbraw/zinc/15/58/11/183155811.db2.gz SRLXYQNYIATHFN-UHFFFAOYSA-N 0 0 312.438 4.729 10 0 DJAERN CCCCOc1ccc(-c2cn3c(C)c(C)sc3n2)cc1 ZINC000041005805 183156055 /nfs/dbraw/zinc/15/60/55/183156055.db2.gz UJWCTCHQIBMPAT-UHFFFAOYSA-N 0 0 300.427 4.859 10 0 DJAERN COc1ccc(Nc2ccnc3cc(Cl)ccc32)c(OC)c1 ZINC000041055064 183158867 /nfs/dbraw/zinc/15/88/67/183158867.db2.gz PIKYCVORZRYGIA-UHFFFAOYSA-N 0 0 314.772 4.649 10 0 DJAERN Fc1ccc(Nc2ccnc3ccc(Br)cc32)cc1 ZINC000041055258 183160151 /nfs/dbraw/zinc/16/01/51/183160151.db2.gz HGMKDCVKQCQVKY-UHFFFAOYSA-N 0 0 317.161 4.880 10 0 DJAERN O=C(Nc1ccnc2ccc(C(F)(F)F)cc21)c1cccs1 ZINC000041057136 183160197 /nfs/dbraw/zinc/16/01/97/183160197.db2.gz PVCLDDVHTGQXNG-UHFFFAOYSA-N 0 0 322.311 4.567 10 0 DJAERN CCc1ccc(/C=C/C(=O)Nc2ccnc3c(C)cccc23)cc1 ZINC000041057874 183161047 /nfs/dbraw/zinc/16/10/47/183161047.db2.gz BZNHSPCRYISKCD-VAWYXSNFSA-N 0 0 316.404 4.758 10 0 DJAERN Cc1ccc2c(NC(=O)c3ccc(Cl)cc3)ccnc2c1C ZINC000041057981 183161056 /nfs/dbraw/zinc/16/10/56/183161056.db2.gz VQCHMDSAKPGYGD-UHFFFAOYSA-N 0 0 310.784 4.757 10 0 DJAERN O=C(/C=C/c1cccs1)Nc1ccnc2cc(Cl)ccc21 ZINC000041057784 183161077 /nfs/dbraw/zinc/16/10/77/183161077.db2.gz KPLGZVQNWGQRBS-GQCTYLIASA-N 0 0 314.797 4.602 10 0 DJAERN O=C(Nc1ccnc2c(Cl)cccc12)c1cccc(Cl)c1 ZINC000041057516 183161138 /nfs/dbraw/zinc/16/11/38/183161138.db2.gz DSJSLWPEUWOBCB-UHFFFAOYSA-N 0 0 317.175 4.794 10 0 DJAERN CC(C)c1ccc(C[C@H](CO)Cc2ccc(Cl)cc2)cc1 ZINC000041516738 183196599 /nfs/dbraw/zinc/19/65/99/183196599.db2.gz KWOIUJFBICUIMR-KRWDZBQOSA-N 0 0 302.845 4.857 10 0 DJAERN Clc1cnc2cc(Cl)c(Cl)cc2c1Br ZINC000041702061 183217657 /nfs/dbraw/zinc/21/76/57/183217657.db2.gz SQYONJARFWVRDP-UHFFFAOYSA-N 0 0 311.393 4.958 10 0 DJAERN C[C@@H](N(C)CC(=O)c1ccc(Cl)cc1Cl)C(C)(C)C ZINC000042773781 183306965 /nfs/dbraw/zinc/30/69/65/183306965.db2.gz JEZQJXIGVMOPOT-SNVBAGLBSA-N 0 0 302.245 4.543 10 0 DJAERN C[C@H](Nc1ccc(Br)cn1)c1ccc(Cl)s1 ZINC000044386448 183407698 /nfs/dbraw/zinc/40/76/98/183407698.db2.gz SSUTWYQDPWEKGN-ZETCQYMHSA-N 0 0 317.639 4.732 10 0 DJAERN Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000110307283 194322079 /nfs/dbraw/zinc/32/20/79/194322079.db2.gz KCNQMWRMYFNDAC-UHFFFAOYSA-N 0 0 311.606 4.990 10 0 DJAERN Nc1ccc(N[C@@H]2CCCc3sccc32)c(Br)c1 ZINC000061360869 184169167 /nfs/dbraw/zinc/16/91/67/184169167.db2.gz LPYNKDJNEIOIGO-GFCCVEGCSA-N 0 0 323.259 4.582 10 0 DJAERN C[C@H](Nc1cc(Br)ccc1Cl)c1ccncc1 ZINC000061690795 184182792 /nfs/dbraw/zinc/18/27/92/184182792.db2.gz MVSDHESVNZJZMG-VIFPVBQESA-N 0 0 311.610 4.671 10 0 DJAERN O[C@@H](Cc1c(F)cccc1Cl)c1c(F)cccc1Cl ZINC000062138007 184208152 /nfs/dbraw/zinc/20/81/52/184208152.db2.gz SMTGHTOCPHGYNC-ZDUSSCGKSA-N 0 0 303.135 4.548 10 0 DJAERN c1ccc2oc(Nc3ccc(Oc4ccncc4)cc3)nc2c1 ZINC000065231367 184315798 /nfs/dbraw/zinc/31/57/98/184315798.db2.gz FCDPFKQDYGMGPC-UHFFFAOYSA-N 0 0 303.321 4.759 10 0 DJAERN Oc1cc(Br)cc(-c2ccc(F)c(Cl)c2)c1 ZINC000065343865 184325696 /nfs/dbraw/zinc/32/56/96/184325696.db2.gz WZTSIIGAGNZILR-UHFFFAOYSA-N 0 0 301.542 4.614 10 0 DJAERN Oc1cc(-c2ccc(OC(F)(F)F)cc2)cc(C(F)(F)F)c1 ZINC000065344390 184326321 /nfs/dbraw/zinc/32/63/21/184326321.db2.gz XWLJBFLNQSWKBQ-UHFFFAOYSA-N 0 0 322.204 4.977 10 0 DJAERN Cc1c(N)cccc1-c1nc2ccc(Br)cc2s1 ZINC000093426826 256548750 /nfs/dbraw/zinc/54/87/50/256548750.db2.gz DUEGCSGCERITPJ-UHFFFAOYSA-N 0 0 319.227 4.616 10 0 DJAERN CSc1nc(Cl)cc(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000129497773 196052836 /nfs/dbraw/zinc/05/28/36/196052836.db2.gz ZPGNSAARMJEXRK-UHFFFAOYSA-N 0 0 319.739 4.614 10 0 DJAERN Cc1nc2ccccc2nc1N[C@H](C)c1ccc(Cl)s1 ZINC000047848188 331689615 /nfs/dbraw/zinc/68/96/15/331689615.db2.gz RIBUDHTZVVERRO-SECBINFHSA-N 0 0 303.818 4.826 10 0 DJAERN O=C(CCCC1CCCCC1)N1CCCC[C@H]1c1nccs1 ZINC000115363315 332250789 /nfs/dbraw/zinc/25/07/89/332250789.db2.gz URZRXGQBVQCVPE-INIZCTEOSA-N 0 0 320.502 4.947 10 0 DJAERN CCc1cnc(CN[C@H](c2ccccc2)c2ccccc2C)s1 ZINC000180655879 333028542 /nfs/dbraw/zinc/02/85/42/333028542.db2.gz VHLPRVVQHKRCIX-HXUWFJFHSA-N 0 0 322.477 4.893 10 0 DJAERN CCc1ccc([C@H]2CCCCN2C(=O)C[C@H]2C=CCCC2)o1 ZINC000188232469 333361174 /nfs/dbraw/zinc/36/11/74/333361174.db2.gz KEATZLQMHUREJK-DOTOQJQBSA-N 0 0 301.430 4.642 10 0 DJAERN CCc1ccc([C@H]2CCCCN2C(=O)C[C@@H]2C=CCCC2)o1 ZINC000188232515 333361183 /nfs/dbraw/zinc/36/11/83/333361183.db2.gz KEATZLQMHUREJK-NVXWUHKLSA-N 0 0 301.430 4.642 10 0 DJAERN C[C@H](NCc1nc2ccccc2s1)c1ccc(F)c(Cl)c1 ZINC000021507131 333424138 /nfs/dbraw/zinc/42/41/38/333424138.db2.gz VMKYOGAVEJWJBT-JTQLQIEISA-N 0 0 320.820 4.940 10 0 DJAERN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)o1 ZINC000067120387 335148210 /nfs/dbraw/zinc/14/82/10/335148210.db2.gz ZCKQRUUQYDDTGV-SNVBAGLBSA-N 0 0 315.747 4.694 10 0 DJAERN CCN(Cc1ccccc1)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000093155608 334071163 /nfs/dbraw/zinc/07/11/63/334071163.db2.gz UKNISEMXWVSMFK-GFCCVEGCSA-N 0 0 322.861 4.694 10 0 DJAERN Cc1cc(CSCc2ccc(Cl)c3cccnc23)no1 ZINC000101584953 334332182 /nfs/dbraw/zinc/33/21/82/334332182.db2.gz QIJSTCMDOFCANY-UHFFFAOYSA-N 0 0 304.802 4.618 10 0 DJAERN COc1ccc([C@H](C)C(=O)Nc2cccc(C(C)(F)F)c2)cc1 ZINC000189386755 334895219 /nfs/dbraw/zinc/89/52/19/334895219.db2.gz FHIJOFYNJXTCJP-LBPRGKRZSA-N 0 0 319.351 4.549 10 0 DJAERN Cc1cccc(CN[C@H](C)c2c(Cl)ccc(F)c2Cl)n1 ZINC000051574079 335750894 /nfs/dbraw/zinc/75/08/94/335750894.db2.gz OJKSICBKWQIFHV-SNVBAGLBSA-N 0 0 313.203 4.687 10 0 DJAERN COc1ccc(F)c(N[C@H]2CCSc3c(F)cccc32)c1 ZINC000094854480 335755628 /nfs/dbraw/zinc/75/56/28/335755628.db2.gz VBZBPDKYWBLBNB-AWEZNQCLSA-N 0 0 307.365 4.622 10 0 DJAERN O=C(c1cc2cc(Cl)ccc2o1)N1CCC[C@H]1c1ccco1 ZINC000116039635 335873964 /nfs/dbraw/zinc/87/39/64/335873964.db2.gz ZIKHSWPGXOKPFE-ZDUSSCGKSA-N 0 0 315.756 4.657 10 0 DJAERN C[C@@H](NC(=O)Nc1c(F)cccc1F)c1ccc(Cl)s1 ZINC000043265143 336252099 /nfs/dbraw/zinc/25/20/99/336252099.db2.gz ZLBIUZDYBYHCRA-SSDOTTSWSA-N 0 0 316.760 4.562 10 0 DJAERN C[C@@H](Nc1ccc2nccnc2n1)c1cc2cc(Cl)ccc2o1 ZINC000301281975 336298632 /nfs/dbraw/zinc/29/86/32/336298632.db2.gz OTPMKGFOIGJXEA-SNVBAGLBSA-N 0 0 324.771 4.598 10 0 DJAERN CC[C@@H](Nc1nn2cc(C(C)(C)C)nc2s1)c1cccs1 ZINC000301529074 336312694 /nfs/dbraw/zinc/31/26/94/336312694.db2.gz GZVJHOOGJLUNAF-SNVBAGLBSA-N 0 0 320.487 4.713 10 0 DJAERN CCc1cnc([C@H](C)Nc2cc[nH+]c3cc(F)ccc23)s1 ZINC000301587518 336316651 /nfs/dbraw/zinc/31/66/51/336316651.db2.gz WNURQPLMXGLECQ-JTQLQIEISA-N 0 0 301.390 4.566 10 0 DJAERN COCC[C@H](Nc1ccnc(Cl)c1)c1ccc(Cl)cc1 ZINC000301614281 336318304 /nfs/dbraw/zinc/31/83/04/336318304.db2.gz APQIUZVXQOBLBL-AWEZNQCLSA-N 0 0 311.212 4.578 10 0 DJAERN COCC[C@H](Nc1ncccc1Cl)c1ccc(Cl)cc1 ZINC000301635959 336319727 /nfs/dbraw/zinc/31/97/27/336319727.db2.gz KYZHGUZEXMSFMH-AWEZNQCLSA-N 0 0 311.212 4.578 10 0 DJAERN COCC[C@@H](Nc1ncccc1Cl)c1ccc(Cl)cc1 ZINC000301635962 336319806 /nfs/dbraw/zinc/31/98/06/336319806.db2.gz KYZHGUZEXMSFMH-CQSZACIVSA-N 0 0 311.212 4.578 10 0 DJAERN FC(F)(F)c1nc2ccccc2n1Cc1ccc(Cl)s1 ZINC000105032667 336396152 /nfs/dbraw/zinc/39/61/52/336396152.db2.gz QXPMJZXFXJFZKJ-UHFFFAOYSA-N 0 0 316.735 4.818 10 0 DJAERN C[C@H](CC(=O)N1CCCC[C@@H]1c1nccs1)C1CCCCC1 ZINC000115363630 336824061 /nfs/dbraw/zinc/82/40/61/336824061.db2.gz RWEIYSYTKOAJPK-GDBMZVCRSA-N 0 0 320.502 4.803 10 0 DJAERN O=C(c1cc(Cl)sc1Cl)N1CCC[C@@H]1c1ccco1 ZINC000116043474 336830448 /nfs/dbraw/zinc/83/04/48/336830448.db2.gz BXTKNGWIOOQTAN-SECBINFHSA-N 0 0 316.209 4.625 10 0 DJAERN C[C@@H](NCc1ncc(-c2ccc(Cl)cc2)o1)c1cccs1 ZINC000171111426 337086879 /nfs/dbraw/zinc/08/68/79/337086879.db2.gz NBSQUKLHUZGLRQ-LLVKDONJSA-N 0 0 318.829 4.907 10 0 DJAERN O=C(C1CCCCCCC1)N1CCCC[C@@H]1c1nccs1 ZINC000172900917 337132230 /nfs/dbraw/zinc/13/22/30/337132230.db2.gz XUIYWIOTWJLZCD-OAHLLOKOSA-N 0 0 306.475 4.557 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(F)cc2F)o1 ZINC000173197624 337133597 /nfs/dbraw/zinc/13/35/97/337133597.db2.gz ALYHCVVCGSAAJZ-HNNXBMFYSA-N 0 0 320.339 4.625 10 0 DJAERN C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccc(F)c(F)c1 ZINC000173381910 337134972 /nfs/dbraw/zinc/13/49/72/337134972.db2.gz UBJJUGHVTBRGPL-XOBRGWDASA-N 0 0 324.374 4.800 10 0 DJAERN C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccc(F)c(F)c1 ZINC000173381924 337135022 /nfs/dbraw/zinc/13/50/22/337135022.db2.gz UBJJUGHVTBRGPL-VLIAUNLRSA-N 0 0 324.374 4.800 10 0 DJAERN CC(C)c1csc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000173965803 337138048 /nfs/dbraw/zinc/13/80/48/337138048.db2.gz VDIJPYXRZQQYFH-HNNXBMFYSA-N 0 0 320.502 4.553 10 0 DJAERN CC(C)c1csc([C@H]2CCCN(C(=O)CCC3CCC3)C2)n1 ZINC000176897120 337153615 /nfs/dbraw/zinc/15/36/15/337153615.db2.gz MKTJZPUNIDGPPO-HNNXBMFYSA-N 0 0 320.502 4.553 10 0 DJAERN Cc1cc(CCCC(=O)N2CCC[C@@H]2c2ccco2)c(C)s1 ZINC000177271871 337155200 /nfs/dbraw/zinc/15/52/00/337155200.db2.gz ZDTIGQFZFCHARQ-MRXNPFEDSA-N 0 0 317.454 4.644 10 0 DJAERN Fc1ccc2c(c1)[C@H](N[C@H](c1ccco1)c1ccccc1)CCO2 ZINC000178430890 337164796 /nfs/dbraw/zinc/16/47/96/337164796.db2.gz LJFLBXSSZFBKQE-XLIONFOSSA-N 0 0 323.367 4.622 10 0 DJAERN Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)s1 ZINC000178606726 337165360 /nfs/dbraw/zinc/16/53/60/337165360.db2.gz CSOWYRYWIRZKPI-BEFAXECRSA-N 0 0 308.450 4.892 10 0 DJAERN CC[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cccs1 ZINC000178609534 337165413 /nfs/dbraw/zinc/16/54/13/337165413.db2.gz DXNUSCCEFXPKLQ-MJGOQNOKSA-N 0 0 308.450 4.973 10 0 DJAERN Fc1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)CC2 ZINC000178610783 337165484 /nfs/dbraw/zinc/16/54/84/337165484.db2.gz LXTZKLUWUUDQKG-LEWJYISDSA-N 0 0 318.395 4.587 10 0 DJAERN CC[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccccc1 ZINC000178607979 337165505 /nfs/dbraw/zinc/16/55/05/337165505.db2.gz KDBZTIDMHBQUTG-NHCUHLMSSA-N 0 0 302.421 4.912 10 0 DJAERN C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccc(Cl)nc1 ZINC000179119928 337167979 /nfs/dbraw/zinc/16/79/79/337167979.db2.gz FNEYIKPBTBFTPZ-KUHUBIRLSA-N 0 0 323.827 4.570 10 0 DJAERN CCOc1ccc([C@@H](C)Nc2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000179810339 337171821 /nfs/dbraw/zinc/17/18/21/337171821.db2.gz KJZAVDKKQKGHQD-CQSZACIVSA-N 0 0 324.424 4.533 10 0 DJAERN CC(C)C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccccn1 ZINC000179809787 337171898 /nfs/dbraw/zinc/17/18/98/337171898.db2.gz AYOBOPZUDYODKZ-IBGZPJMESA-N 0 0 323.440 4.556 10 0 DJAERN Cc1ccc([C@H](C)Nc2ccc3c(c2)CCCC(=O)N3)s1 ZINC000179812272 337172097 /nfs/dbraw/zinc/17/20/97/337172097.db2.gz DAESCVIUZRTYCW-LBPRGKRZSA-N 0 0 300.427 4.504 10 0 DJAERN C[C@@H](NCc1ncc(-c2ccccc2Cl)o1)c1cccs1 ZINC000182557488 337188876 /nfs/dbraw/zinc/18/88/76/337188876.db2.gz MBTMGDPZVJOJQY-LLVKDONJSA-N 0 0 318.829 4.907 10 0 DJAERN C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1cccc(F)c1F ZINC000183256407 337192604 /nfs/dbraw/zinc/19/26/04/337192604.db2.gz UECAABIBONNWJT-VLIAUNLRSA-N 0 0 324.374 4.800 10 0 DJAERN Cc1ccc([C@H](C)NCc2ncc(-c3ccccc3)cn2)cc1C ZINC000186061122 337253212 /nfs/dbraw/zinc/25/32/12/337253212.db2.gz CCVDRYAMOKNNNH-KRWDZBQOSA-N 0 0 317.436 4.611 10 0 DJAERN COc1ccsc1[C@H](C)Nc1cccc(-c2cnco2)c1 ZINC000186267307 337255506 /nfs/dbraw/zinc/25/55/06/337255506.db2.gz GXRUMISYJCGERI-NSHDSACASA-N 0 0 300.383 4.585 10 0 DJAERN COc1ccsc1[C@@H](C)Nc1cccc(-c2cnco2)c1 ZINC000186267324 337255534 /nfs/dbraw/zinc/25/55/34/337255534.db2.gz GXRUMISYJCGERI-LLVKDONJSA-N 0 0 300.383 4.585 10 0 DJAERN CCCC[C@@H](CC)CC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187005573 337261086 /nfs/dbraw/zinc/26/10/86/337261086.db2.gz QGRIKUMCZXLIKB-ZBFHGGJFSA-N 0 0 308.491 4.722 10 0 DJAERN CCCCC[C@@H](C)CC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187026852 337261291 /nfs/dbraw/zinc/26/12/91/337261291.db2.gz FDLNBZYQLJTOHI-CJNGLKHVSA-N 0 0 308.491 4.722 10 0 DJAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2C[C@H](C)CC(C)(C)C2)cs1 ZINC000187126835 337262689 /nfs/dbraw/zinc/26/26/89/337262689.db2.gz QXHMEIZAOGPQDI-NOLJZWGESA-N 0 0 320.502 4.577 10 0 DJAERN Cc1coc2ccc(NC(=O)N3CCC[C@H]3c3ccco3)cc12 ZINC000187986156 337270700 /nfs/dbraw/zinc/27/07/00/337270700.db2.gz NBOSFGVNPCSQTO-HNNXBMFYSA-N 0 0 310.353 4.703 10 0 DJAERN Cc1coc(SCc2ncc(-c3ccccc3Cl)o2)n1 ZINC000188404786 337273236 /nfs/dbraw/zinc/27/32/36/337273236.db2.gz JPWBYQIWPVIOHY-UHFFFAOYSA-N 0 0 306.774 4.584 10 0 DJAERN CC(C)c1nnc(CNc2c(C(C)C)cccc2C(C)C)n1C ZINC000190838307 337290203 /nfs/dbraw/zinc/29/02/03/337290203.db2.gz VSYAYCWZKFQPDH-UHFFFAOYSA-N 0 0 314.477 4.797 10 0 DJAERN Cc1c([C@H](C)Nc2cccc(-c3cnco3)c2)cnn1C(C)C ZINC000191472067 337297234 /nfs/dbraw/zinc/29/72/34/337297234.db2.gz VMYNMOBHUNCGSR-ZDUSSCGKSA-N 0 0 310.401 4.601 10 0 DJAERN Cc1c([C@H](C)Nc2cccc(-c3cnco3)c2)cnn1C(C)(C)C ZINC000191472102 337297235 /nfs/dbraw/zinc/29/72/35/337297235.db2.gz ROYJLFMICMYQPH-ZDUSSCGKSA-N 0 0 324.428 4.775 10 0 DJAERN Fc1ccc(-c2nc3ccc(Br)c(F)c3o2)cc1 ZINC000584599504 337370756 /nfs/dbraw/zinc/37/07/56/337370756.db2.gz FTAWCQARZAMOCT-UHFFFAOYSA-N 0 0 310.097 4.536 10 0 DJAERN Cc1ccc(Cl)c2c1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000584602404 337371091 /nfs/dbraw/zinc/37/10/91/337371091.db2.gz IDJMTIZMJQTEBS-BTWZCHHXSA-N 0 0 304.861 4.865 10 0 DJAERN COC(=O)[C@H](C)c1cc(Cl)cc(-c2ccc(Cl)cc2)c1 ZINC000584611766 337372170 /nfs/dbraw/zinc/37/21/70/337372170.db2.gz VOAWCAGVDARXBO-SNVBAGLBSA-N 0 0 309.192 4.937 10 0 DJAERN CCCCCC/C(I)=C/Br ZINC000584610963 337372234 /nfs/dbraw/zinc/37/22/34/337372234.db2.gz HBBBMXXXEDPSNR-FPLPWBNLSA-N 0 0 317.008 4.628 10 0 DJAERN CC(C)Oc1cc(-c2ccc(F)cc2)c(C2CC2)cc1CO ZINC000584612619 337372450 /nfs/dbraw/zinc/37/24/50/337372450.db2.gz MZJMAKIDRWEPRZ-UHFFFAOYSA-N 0 0 300.373 4.650 10 0 DJAERN CCCCCc1ccc(N2CCc3cc(OC)ccc3C2=O)cc1 ZINC000584613064 337372499 /nfs/dbraw/zinc/37/24/99/337372499.db2.gz VMMMDJDNJSIVLQ-UHFFFAOYSA-N 0 0 323.436 4.631 10 0 DJAERN OCCc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1 ZINC000584594861 337373861 /nfs/dbraw/zinc/37/38/61/337373861.db2.gz CPTXOUBINJEEJI-UHFFFAOYSA-N 0 0 306.361 4.806 10 0 DJAERN CC(C)[C@](O)(CCCc1ccccn1)c1ccccc1Cl ZINC000584628363 337376325 /nfs/dbraw/zinc/37/63/25/337376325.db2.gz BXTVQSRWEKCRRT-GOSISDBHSA-N 0 0 303.833 4.602 10 0 DJAERN Cc1cc(Sc2cc(Cl)ccc2C)c(C(=O)[O-])c(C)n1 ZINC000584634133 337377537 /nfs/dbraw/zinc/37/75/37/337377537.db2.gz ZTAVZZSSZJFIIN-UHFFFAOYSA-N 0 0 307.802 4.510 10 0 DJAERN Fc1cccc2c1[C@@H](C[C@@H](F)C1CCCCC1)n1cncc1-2 ZINC000584638956 337379709 /nfs/dbraw/zinc/37/97/09/337379709.db2.gz OHWIXLJBJCDWBA-HZPDHXFCSA-N 0 0 302.368 4.901 10 0 DJAERN c1ccc(CNc2ccc3nc(-c4cccnc4)sc3c2)cc1 ZINC000584639435 337379799 /nfs/dbraw/zinc/37/97/99/337379799.db2.gz HYTDUVOPWHODMT-UHFFFAOYSA-N 0 0 317.417 4.970 10 0 DJAERN CCOCCO[C@@H](C)c1ccc2c(c1)c1ccccc1n2CC ZINC000584640972 337379965 /nfs/dbraw/zinc/37/99/65/337379965.db2.gz ABKNBBAXHKNGKW-HNNXBMFYSA-N 0 0 311.425 4.929 10 0 DJAERN Fc1ccccc1-c1cnc2nc(-c3cccnc3)sc2c1 ZINC000584648887 337380425 /nfs/dbraw/zinc/38/04/25/337380425.db2.gz WTLSVZRZLMXKNX-UHFFFAOYSA-N 0 0 307.353 4.559 10 0 DJAERN Cc1ccc2cccc(NC(=O)N3CCC[C@H]3c3ccco3)c2n1 ZINC000116499285 337392766 /nfs/dbraw/zinc/39/27/66/337392766.db2.gz MGQHDZQPRPJXAC-INIZCTEOSA-N 0 0 321.380 4.505 10 0 DJAERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)C1CCC(F)(F)CC1 ZINC000248142537 337562707 /nfs/dbraw/zinc/56/27/07/337562707.db2.gz YUJTWQGEXZWUGT-CKEIUWERSA-N 0 0 321.411 4.605 10 0 DJAERN CC(C)CCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000248270892 337563168 /nfs/dbraw/zinc/56/31/68/337563168.db2.gz PYLAPBKCGCNUAE-HNNXBMFYSA-N 0 0 316.470 4.786 10 0 DJAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)CCCC(C)C)cs1 ZINC000186101112 340508145 /nfs/dbraw/zinc/50/81/45/340508145.db2.gz NEDJBIPLZVIBMQ-CJNGLKHVSA-N 0 0 323.506 4.513 10 0 DJAERN CCc1ccc([C@H](C)Nc2cncc(Br)c2)cc1 ZINC000230887130 340621161 /nfs/dbraw/zinc/62/11/61/340621161.db2.gz BVTPJKPBHKSEMQ-NSHDSACASA-N 0 0 305.219 4.580 10 0 DJAERN C[C@H](Nc1nccc2occc21)c1cccc(Br)c1 ZINC000230897686 340621220 /nfs/dbraw/zinc/62/12/20/340621220.db2.gz NIBGPXFGEGOESD-JTQLQIEISA-N 0 0 317.186 4.763 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccccc2C)o1 ZINC000127482149 340851704 /nfs/dbraw/zinc/85/17/04/340851704.db2.gz QPWSTWCPHQBLSF-GOSISDBHSA-N 0 0 311.425 4.583 10 0 DJAERN C[C@H](c1ccc(Cl)cc1)N(C)Cc1nc(C2CCCC2)no1 ZINC000130911000 341053905 /nfs/dbraw/zinc/05/39/05/341053905.db2.gz IYQXZMALOASEEH-GFCCVEGCSA-N 0 0 319.836 4.574 10 0 DJAERN CSCCCCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000131170026 341063712 /nfs/dbraw/zinc/06/37/12/341063712.db2.gz ZSFYKULTWYWFRI-CQSZACIVSA-N 0 0 301.455 4.550 10 0 DJAERN Cc1c(F)cccc1NC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000072598796 341093078 /nfs/dbraw/zinc/09/30/78/341093078.db2.gz PYFMIEWZOGYEDJ-VIFPVBQESA-N 0 0 312.797 4.732 10 0 DJAERN CCC(CC)CC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000131808520 341112057 /nfs/dbraw/zinc/11/20/57/341112057.db2.gz PBQPLVKCJDHSTG-HNNXBMFYSA-N 0 0 322.518 4.799 10 0 DJAERN C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H]1c1ccco1 ZINC000246682431 341355596 /nfs/dbraw/zinc/35/55/96/341355596.db2.gz BCGPKLFDLWBOFV-ZBFHGGJFSA-N 0 0 308.381 4.833 10 0 DJAERN Cc1ccc([C@H](C)NC(=O)c2ccc(Oc3ccccc3)cc2)o1 ZINC000247876242 341370825 /nfs/dbraw/zinc/37/08/25/341370825.db2.gz ABAORQCKYGTCCW-HNNXBMFYSA-N 0 0 321.376 4.871 10 0 DJAERN C[C@H](Nc1ccc(F)c(F)c1)c1ccc(Br)s1 ZINC000038001735 518183613 /nfs/dbraw/zinc/18/36/13/518183613.db2.gz VSOJQXBQBPRSOQ-ZETCQYMHSA-N 0 0 318.186 4.962 10 0 DJAERN CC(C)(C)c1ccc(-c2noc(-c3n[nH]c4ccccc43)n2)cc1 ZINC000073637979 519010330 /nfs/dbraw/zinc/01/03/30/519010330.db2.gz VSSAYNLPUMDJCL-UHFFFAOYSA-N 0 0 318.380 4.577 10 0 DJAERN CC[C@@H](NC(=O)N[C@H](C)c1ccc(C)o1)c1ccc(Cl)cc1 ZINC000107708565 522742708 /nfs/dbraw/zinc/74/27/08/522742708.db2.gz CMMYOIDUINHPNN-IUODEOHRSA-N 0 0 320.820 4.753 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2c(C)cccc2C)o1 ZINC000153582526 525992965 /nfs/dbraw/zinc/99/29/65/525992965.db2.gz VIGMDHVWEQZZSW-MRXNPFEDSA-N 0 0 312.413 4.964 10 0 DJAERN Cc1ccc([S@@](=O)[C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000156989625 526091962 /nfs/dbraw/zinc/09/19/62/526091962.db2.gz QJEWBKDWOKBCCA-RCDICMHDSA-N 0 0 311.406 4.519 10 0 DJAERN ClC(Cl)(Cl)[C@@H](NCc1ccccc1)c1ccccc1 ZINC000032500800 526924265 /nfs/dbraw/zinc/92/42/65/526924265.db2.gz PEFTWTREKWVNDS-AWEZNQCLSA-N 0 0 314.643 4.888 10 0 DJAERN O=C(Nc1ccc(Cl)cc1)N1CCCC[C@H]1c1nccs1 ZINC000176251747 527179277 /nfs/dbraw/zinc/17/92/77/527179277.db2.gz PVKSVQCHJPULHY-ZDUSSCGKSA-N 0 0 321.833 4.556 10 0 DJAERN CC(C=C1SC(Nc2ccccc2)=NC1=O)=Cc1ccccc1 ZINC000000523092 563414719 /nfs/dbraw/zinc/41/47/19/563414719.db2.gz GUVWXJMWZKQQAK-PNKQLNASSA-N 0 0 320.417 4.715 10 0 DJAERN CCCCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000048512958 563466600 /nfs/dbraw/zinc/46/66/00/563466600.db2.gz WFSNAEWLTPXBNH-UHFFFAOYSA-N 0 0 303.475 4.672 10 0 DJAERN CCCCN(C)C(=O)c1cccc(-c2cnc3ccccc3c2)c1 ZINC000033140133 563497825 /nfs/dbraw/zinc/49/78/25/563497825.db2.gz YGSNQGHEBQAIDH-UHFFFAOYSA-N 0 0 318.420 4.774 10 0 DJAERN C[Si](C)(C)CCSCc1csc(-c2ccccn2)n1 ZINC000725245164 563526293 /nfs/dbraw/zinc/52/62/93/563526293.db2.gz FMOHLNIQDCZOHG-UHFFFAOYSA-N 0 0 308.548 4.777 10 0 DJAERN CC(C)[C@@H]1CCc2[nH]nc(-c3cccc(Br)c3)c2C1 ZINC000725265505 563571416 /nfs/dbraw/zinc/57/14/16/563571416.db2.gz IZFICJSHBQAZDR-LLVKDONJSA-N 0 0 319.246 4.600 10 0 DJAERN CC(C)(C)OC(=O)/C=C/c1ccc(Oc2ccc(F)cc2)cc1 ZINC000725273891 563579242 /nfs/dbraw/zinc/57/92/42/563579242.db2.gz QXYCPRCZPAHFJA-AWNIVKPZSA-N 0 0 314.356 4.973 10 0 DJAERN Cc1ccc([C@@H]2SCCN2C(=O)/C=C/c2ccccc2)c(C)c1 ZINC000000328970 563588601 /nfs/dbraw/zinc/58/86/01/563588601.db2.gz JHPAVMWFFAKTPK-BQYDLMEBSA-N 0 0 323.461 4.591 10 0 DJAERN Ic1ccc2sc3ccccc3c2c1 ZINC000140108535 563616187 /nfs/dbraw/zinc/61/61/87/563616187.db2.gz LCTVJYHYWSCJAF-UHFFFAOYSA-N 0 0 310.159 4.659 10 0 DJAERN Brc1csc(-c2ccc(Br)cc2)c1 ZINC000146783888 563924320 /nfs/dbraw/zinc/92/43/20/563924320.db2.gz GNCFJBSEQROQBL-UHFFFAOYSA-N 0 0 318.033 4.940 10 0 DJAERN Cc1ncc(-c2ccccc2C(F)(F)F)c(NC2CCCC2)n1 ZINC000090411366 185294725 /nfs/dbraw/zinc/29/47/25/185294725.db2.gz JGGANTRDZBAMLK-UHFFFAOYSA-N 0 0 321.346 4.825 10 0 DJAERN O=Cc1c(=O)c2cc(Cl)cc(Cl)c2oc1-c1ccccc1 ZINC000090668737 185309021 /nfs/dbraw/zinc/30/90/21/185309021.db2.gz WBHJDJODKGQQPO-UHFFFAOYSA-N 0 0 319.143 4.579 10 0 DJAERN CCC(=O)C(CCCCCCCc1ccc(O)cc1)=C(O)CC ZINC000138205144 186014722 /nfs/dbraw/zinc/01/47/22/186014722.db2.gz UTNZJUDBZQOSEJ-UHFFFAOYSA-N 0 0 318.457 4.850 10 0 DJAERN Clc1ccc([C@H](c2cncnc2)c2ccccc2Cl)cc1 ZINC000072101962 191037107 /nfs/dbraw/zinc/03/71/07/191037107.db2.gz YADNTCMCRQXRRP-QGZVFWFLSA-N 0 0 315.203 4.964 10 0 DJAERN FC(F)(F)c1ccccc1-c1scnc1Br ZINC000072192333 191073075 /nfs/dbraw/zinc/07/30/75/191073075.db2.gz CPBRIORTXXAJCI-UHFFFAOYSA-N 0 0 308.122 4.591 10 0 DJAERN Brc1cnc(C2CCCCC2)cc1Br ZINC000072193326 191073315 /nfs/dbraw/zinc/07/33/15/191073315.db2.gz IFFOOFFWWCRKER-UHFFFAOYSA-N 0 0 319.040 4.654 10 0 DJAERN CCCn1c(C)cc2ccnc(NCc3c(C)cccc3C)c21 ZINC000147034922 186039033 /nfs/dbraw/zinc/03/90/33/186039033.db2.gz JHVJLJYOCJEPFG-UHFFFAOYSA-N 0 0 307.441 4.984 10 0 DJAERN O=Cc1cn(Cc2ccccc2C(F)(F)F)c2ccccc12 ZINC000150309172 186056668 /nfs/dbraw/zinc/05/66/68/186056668.db2.gz URIQNZKFOVBAFJ-UHFFFAOYSA-N 0 0 303.283 4.521 10 0 DJAERN Cc1cccc(/C=C/c2ccnc(N3CCc4ccccc43)n2)c1 ZINC000072443624 191169401 /nfs/dbraw/zinc/16/94/01/191169401.db2.gz FIYMZIVZFSGLLA-MDZDMXLPSA-N 0 0 313.404 4.650 10 0 DJAERN Cc1nn2c(ncc3c2CCCCC3)c1-c1cccc(Cl)c1 ZINC000072451772 191171760 /nfs/dbraw/zinc/17/17/60/191171760.db2.gz DRKSVTKLOIUFDV-UHFFFAOYSA-N 0 0 311.816 4.627 10 0 DJAERN Cc1cnc(Nc2nc(-c3ccccc3)nc3ccccc32)s1 ZINC000003818126 181047301 /nfs/dbraw/zinc/04/73/01/181047301.db2.gz RVXAVLKJEPIRIR-UHFFFAOYSA-N 0 0 318.405 4.805 10 0 DJAERN CCCCN(CCCC)c1cc(C)[nH+]c2cc(C(=O)[O-])ccc21 ZINC000004226523 181085952 /nfs/dbraw/zinc/08/59/52/181085952.db2.gz KTZIIBDKBVWIPM-UHFFFAOYSA-N 0 0 314.429 4.648 10 0 DJAERN CCCCCCOc1ccc(-c2cnc(SC)nc2)cc1 ZINC000004336461 181099366 /nfs/dbraw/zinc/09/93/66/181099366.db2.gz UOJUNZUQKPFZIH-UHFFFAOYSA-N 0 0 302.443 4.825 10 0 DJAERN Cc1ccc(C(=O)Nc2nc3cc(C)c(C)cc3s2)cc1C ZINC000005152389 181209981 /nfs/dbraw/zinc/20/99/81/181209981.db2.gz FLZMCXXYUQBKPS-UHFFFAOYSA-N 0 0 310.422 4.782 10 0 DJAERN C[C@H](NC(=O)N[C@H]1CCC[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000078519747 191878012 /nfs/dbraw/zinc/87/80/12/191878012.db2.gz NFUFJNKDBLSPDU-BHDSKKPTSA-N 0 0 315.244 4.542 10 0 DJAERN CC[C@@H](c1ccc(OC)c2ccccc21)n1nnc2ccccc21 ZINC000005337111 181230885 /nfs/dbraw/zinc/23/08/85/181230885.db2.gz AAISUGXFFWBRFJ-SFHVURJKSA-N 0 0 317.392 4.593 10 0 DJAERN CC[C@@H](C)C(NC(=O)C(C)C)(c1ccccc1)c1ccccc1 ZINC000005336956 181231182 /nfs/dbraw/zinc/23/11/82/181231182.db2.gz BBLBUNLWMVHVOF-QGZVFWFLSA-N 0 0 309.453 4.749 10 0 DJAERN C[C@@H](NC(=O)c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000005443946 181243984 /nfs/dbraw/zinc/24/39/84/181243984.db2.gz LESQWOZPMJBVTO-XUXNNNHQSA-N 0 0 317.860 4.675 10 0 DJAERN O=C1C[C@H](c2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000005489772 181249046 /nfs/dbraw/zinc/24/90/46/181249046.db2.gz RETUFDGISIPSFZ-IFMALSPDSA-N 0 0 313.400 4.948 10 0 DJAERN C[C@@H]1CCC[C@@H](C)N1C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000005528063 181253976 /nfs/dbraw/zinc/25/39/76/181253976.db2.gz YRZPCHSYCKQKAS-FUDMEFDJSA-N 0 0 312.240 4.796 10 0 DJAERN CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1cccc(OC)c1 ZINC000005509996 181251119 /nfs/dbraw/zinc/25/11/19/181251119.db2.gz QYWISNRINWTLHO-RDRICISKSA-N 0 0 309.409 4.861 10 0 DJAERN COc1cc(SC)ccc1C(=O)Nc1cccc(Cl)c1C ZINC000005578147 181259957 /nfs/dbraw/zinc/25/99/57/181259957.db2.gz CIHDVWXOCKAQTD-UHFFFAOYSA-N 0 0 321.829 4.631 10 0 DJAERN Brc1ccccc1-n1cnc2cccc3cccc1c32 ZINC000085344854 192492719 /nfs/dbraw/zinc/49/27/19/192492719.db2.gz RMIWMZQKQASPEE-UHFFFAOYSA-N 0 0 323.193 4.941 10 0 DJAERN CC(C)c1ccc(/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000005911708 181295611 /nfs/dbraw/zinc/29/56/11/181295611.db2.gz OVXZZVKFJIXURK-BJMVGYQFSA-N 0 0 301.336 4.740 10 0 DJAERN Cc1cc(C)nc(NC(=O)/C=C\c2ccc(Cl)cc2Cl)c1 ZINC000005931900 181297125 /nfs/dbraw/zinc/29/71/25/181297125.db2.gz WFQTZYKJWOITIP-XQRVVYSFSA-N 0 0 321.207 4.657 10 0 DJAERN CCCCC[C@](C)(CCCC)OC(=O)c1cnc(Cl)cn1 ZINC000005973370 181302666 /nfs/dbraw/zinc/30/26/66/181302666.db2.gz AKDMTJUKWYGDSY-INIZCTEOSA-N 0 0 312.841 4.816 10 0 DJAERN Cc1c(Cl)ccc(O[C@H](C)C(=O)Nc2ccccc2)c1Cl ZINC000006069021 181310659 /nfs/dbraw/zinc/31/06/59/181310659.db2.gz BDQWWOHKFDSADC-LLVKDONJSA-N 0 0 324.207 4.708 10 0 DJAERN Cc1ccc(/C=C\C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000006131268 181316090 /nfs/dbraw/zinc/31/60/90/181316090.db2.gz PHADSNYAGMSCEH-QXMHVHEDSA-N 0 0 320.417 4.770 10 0 DJAERN C[C@@H]1C[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)C(=O)O1 ZINC000006441776 181341195 /nfs/dbraw/zinc/34/11/95/181341195.db2.gz QSAFSJAOPPHPTK-OAUYIBNBSA-N 0 0 300.785 4.543 10 0 in-man DJAERN Cc1ccc2cccc(OCC(=O)c3ccc(Cl)s3)c2n1 ZINC000006508419 181347075 /nfs/dbraw/zinc/34/70/75/181347075.db2.gz VSMQAUUJNYLNNI-UHFFFAOYSA-N 0 0 317.797 4.520 10 0 DJAERN O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1c1ccccc1 ZINC000006581217 181357068 /nfs/dbraw/zinc/35/70/68/181357068.db2.gz VNCIVACCVYSJKD-HNNXBMFYSA-N 0 0 324.232 4.772 10 0 DJAERN CCCCC(=O)Nc1ccc(C(=O)Nc2cccc(C)c2C)cc1 ZINC000006594618 181359532 /nfs/dbraw/zinc/35/95/32/181359532.db2.gz ZBCYACUJUKKHRV-UHFFFAOYSA-N 0 0 324.424 4.684 10 0 DJAERN CCNc1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21 ZINC000006775181 181386564 /nfs/dbraw/zinc/38/65/64/181386564.db2.gz CWZPPNWUERCROW-UHFFFAOYSA-N 0 0 301.752 4.521 10 0 DJAERN CC(C)c1nnc(SCc2ccc(Cl)cc2Cl)[nH]1 ZINC000006782176 181387698 /nfs/dbraw/zinc/38/76/98/181387698.db2.gz KVSJBZBVGVOZBR-UHFFFAOYSA-N 0 0 302.230 4.527 10 0 DJAERN Fc1cccnc1-c1nc(-c2ccccc2)cc2c1CCCC2 ZINC000211763474 201440233 /nfs/dbraw/zinc/44/02/33/201440233.db2.gz NCPZRLZBXNTZMM-UHFFFAOYSA-N 0 0 304.368 4.829 10 0 DJAERN CCOC(C[C@@H](C(=O)C1CCCCC1)c1ccccc1)OCC ZINC000091301912 193035858 /nfs/dbraw/zinc/03/58/58/193035858.db2.gz AQLLKQNZEMTYHD-GOSISDBHSA-N 0 0 318.457 4.709 10 0 DJAERN Brc1ccc(-c2ccc(-c3ccncc3)nc2)cc1 ZINC000095830581 193448199 /nfs/dbraw/zinc/44/81/99/193448199.db2.gz XYIUUDIYVVYUPZ-UHFFFAOYSA-N 0 0 311.182 4.573 10 0 DJAERN CC[C@@H](C)c1ccc(OC(=O)c2ccco2)c(Br)c1 ZINC000009230224 181609016 /nfs/dbraw/zinc/60/90/16/181609016.db2.gz KTRKAJUVVILANI-SNVBAGLBSA-N 0 0 323.186 4.775 10 0 DJAERN Cc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000015587819 182008127 /nfs/dbraw/zinc/00/81/27/182008127.db2.gz SIPXDNAKBVTMNP-CMDGGOBGSA-N 0 0 306.192 4.954 10 0 DJAERN CCN(C(=S)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000016211820 182036946 /nfs/dbraw/zinc/03/69/46/182036946.db2.gz PNIYDLNIFIMMST-UHFFFAOYSA-N 0 0 304.846 4.872 10 0 DJAERN COc1cccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000016891352 182062327 /nfs/dbraw/zinc/06/23/27/182062327.db2.gz SGARTUPXTNHFBL-VMPITWQZSA-N 0 0 322.191 4.654 10 0 DJAERN CCCOc1ccccc1Oc1ccc(Br)cc1N ZINC000019845764 182156321 /nfs/dbraw/zinc/15/63/21/182156321.db2.gz PQOPGXCDBSXBME-UHFFFAOYSA-N 0 0 322.202 4.612 10 0 DJAERN Cc1ccc(N[C@@H](C)c2ccc(O)cc2)c(Br)c1 ZINC000019901598 182162227 /nfs/dbraw/zinc/16/22/27/182162227.db2.gz MBMFRYHMQPUVCC-NSHDSACASA-N 0 0 306.203 4.636 10 0 DJAERN Cc1c(Cl)cccc1NCc1ccc(Br)o1 ZINC000019905472 182162318 /nfs/dbraw/zinc/16/23/18/182162318.db2.gz MSNIJBWEBAMZRW-UHFFFAOYSA-N 0 0 300.583 4.616 10 0 DJAERN COc1ccccc1[C@H](C)Nc1ccc(Br)cc1C ZINC000019905591 182162517 /nfs/dbraw/zinc/16/25/17/182162517.db2.gz WSIWHBWYBXRDLM-LBPRGKRZSA-N 0 0 320.230 4.939 10 0 DJAERN Cc1ccc(N[C@@H](C)c2cccc(O)c2)c(Br)c1 ZINC000019901655 182162573 /nfs/dbraw/zinc/16/25/73/182162573.db2.gz PARRNYRLXVIEQO-NSHDSACASA-N 0 0 306.203 4.636 10 0 DJAERN Cc1cc(Br)ccc1N[C@@H](C)c1cccc(O)c1 ZINC000019905632 182162968 /nfs/dbraw/zinc/16/29/68/182162968.db2.gz GYOCCJSDXMGFOH-NSHDSACASA-N 0 0 306.203 4.636 10 0 DJAERN C[C@H](Nc1ccc(Br)cc1F)c1cccc(F)c1 ZINC000019908052 182163084 /nfs/dbraw/zinc/16/30/84/182163084.db2.gz JUDWROCBNXBLDX-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN COc1cccc([C@@H](C)Nc2ccc(Br)cc2F)c1 ZINC000019908014 182163161 /nfs/dbraw/zinc/16/31/61/182163161.db2.gz WLQXWDGDDMKLHV-SNVBAGLBSA-N 0 0 324.193 4.770 10 0 DJAERN Cc1cc(N[C@@H](C)c2cccc(O)c2)ccc1Br ZINC000019908139 182163164 /nfs/dbraw/zinc/16/31/64/182163164.db2.gz MCPYLKRIHQQRTJ-NSHDSACASA-N 0 0 306.203 4.636 10 0 DJAERN Clc1cc(Cl)cc(NCc2ccc(Br)o2)c1 ZINC000019910985 182163609 /nfs/dbraw/zinc/16/36/09/182163609.db2.gz ACBJXHOBEJINPK-UHFFFAOYSA-N 0 0 321.001 4.961 10 0 DJAERN C[C@H](Nc1ccccc1Br)c1ccc(F)cc1F ZINC000019922803 182164249 /nfs/dbraw/zinc/16/42/49/182164249.db2.gz SSBFAKMIVBUUPB-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN C[C@@H](Nc1ccc(F)cc1F)c1cccc(Br)c1 ZINC000019951917 182169518 /nfs/dbraw/zinc/16/95/18/182169518.db2.gz NYJYCOJSUGZKQL-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN COc1ccc(OC)c(N[C@H](C)c2ccc(SC)cc2)c1 ZINC000019979142 182173221 /nfs/dbraw/zinc/17/32/21/182173221.db2.gz SKLQUOPSZJWJFP-GFCCVEGCSA-N 0 0 303.427 4.599 10 0 DJAERN Cc1cc(Br)ccc1N[C@H]1CCc2ccccc21 ZINC000019990624 182174311 /nfs/dbraw/zinc/17/43/11/182174311.db2.gz GJMXUGOQYVRNRC-INIZCTEOSA-N 0 0 302.215 4.857 10 0 DJAERN C[C@H](CCc1ccc(O)cc1)Nc1cccc(Br)c1 ZINC000019941821 182167834 /nfs/dbraw/zinc/16/78/34/182167834.db2.gz ZLJOZLSSQQAMLL-GFCCVEGCSA-N 0 0 320.230 4.588 10 0 DJAERN C[C@@H](Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000020012712 182177611 /nfs/dbraw/zinc/17/76/11/182177611.db2.gz CSCKTWXIKWRVOX-SNVBAGLBSA-N 0 0 324.207 4.938 10 0 DJAERN C[C@H](Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000020012715 182177935 /nfs/dbraw/zinc/17/79/35/182177935.db2.gz CSCKTWXIKWRVOX-JTQLQIEISA-N 0 0 324.207 4.938 10 0 DJAERN CC(C)c1nc(=O)c2c(-c3ccc4c(c3)CCCC4)csc2[nH]1 ZINC000020345799 182210340 /nfs/dbraw/zinc/21/03/40/182210340.db2.gz KHQYUMXDZLGBNT-UHFFFAOYSA-N 0 0 324.449 4.654 10 0 DJAERN Cc1ccc(F)c(NCc2cc(F)ccc2Br)c1 ZINC000020471916 182221595 /nfs/dbraw/zinc/22/15/95/182221595.db2.gz WCHOSDXDDCYQQC-UHFFFAOYSA-N 0 0 312.157 4.648 10 0 DJAERN C[C@H](Nc1c(F)cccc1F)c1cccc(Br)c1 ZINC000020476260 182221927 /nfs/dbraw/zinc/22/19/27/182221927.db2.gz XYPMCUKUQHOEHB-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN CCc1ccc(CNc2ccc(Br)c(C)c2)cc1 ZINC000020559654 182231482 /nfs/dbraw/zinc/23/14/82/182231482.db2.gz ZBPWJIDMSKVDHH-UHFFFAOYSA-N 0 0 304.231 4.932 10 0 DJAERN Nc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000020545841 182229588 /nfs/dbraw/zinc/22/95/88/182229588.db2.gz QCNYKXHJMWFNHD-UHFFFAOYSA-N 0 0 302.588 4.808 10 0 DJAERN Cc1c2ccccc2oc1[C@@H](N)c1ccc(Br)cc1 ZINC000020592934 182235719 /nfs/dbraw/zinc/23/57/19/182235719.db2.gz GSSOGVXISXCODJ-HNNXBMFYSA-N 0 0 316.198 4.552 10 0 DJAERN Cc1cc2c(s1)CCc1cc(C(=O)NC3CCCC3)sc1-2 ZINC000021043705 182263143 /nfs/dbraw/zinc/26/31/43/182263143.db2.gz BQMKPWXYTJDCEP-UHFFFAOYSA-N 0 0 317.479 4.556 10 0 DJAERN Fc1cccc(Cl)c1CNc1ccccc1Br ZINC000021060213 182264241 /nfs/dbraw/zinc/26/42/41/182264241.db2.gz LUEQCBRMWXOLPR-UHFFFAOYSA-N 0 0 314.585 4.854 10 0 DJAERN Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000021817986 182293316 /nfs/dbraw/zinc/29/33/16/182293316.db2.gz FJDBITOCXVJSOG-UHFFFAOYSA-N 0 0 311.606 4.990 10 0 DJAERN Fc1ccc(-c2[nH]c(-c3ccncc3)nc2-c2ccccc2)cc1 ZINC000022000915 182303004 /nfs/dbraw/zinc/30/30/04/182303004.db2.gz NWUILSMFJZPPTC-UHFFFAOYSA-N 0 0 315.351 4.945 10 0 DJAERN C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(C)(C)C ZINC000022334648 182318810 /nfs/dbraw/zinc/31/88/10/182318810.db2.gz PQGJQZKWYQQPTP-NSHDSACASA-N 0 0 305.418 4.719 10 0 DJAERN C[C@H](NC(=O)C1(c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000027409528 182471156 /nfs/dbraw/zinc/47/11/56/182471156.db2.gz CBZSVHROYPGULY-INIZCTEOSA-N 0 0 315.416 4.749 10 0 DJAERN Fc1ccc(C(F)(F)c2nc(Cl)c3ccccc3n2)cc1 ZINC000098178745 193791480 /nfs/dbraw/zinc/79/14/80/193791480.db2.gz HLTWQMKYFDHMIU-UHFFFAOYSA-N 0 0 308.690 4.562 10 0 DJAERN CC(C)c1ccc([C@H](C)NC(=O)/C=C\c2ccccc2F)cc1 ZINC000035295516 182767362 /nfs/dbraw/zinc/76/73/62/182767362.db2.gz BEPBABOUEMVONB-LLNWESEBSA-N 0 0 311.400 4.840 10 0 DJAERN CC(C)c1ccc([C@@H](C)NC(=O)/C=C\c2ccccc2F)cc1 ZINC000035295513 182768036 /nfs/dbraw/zinc/76/80/36/182768036.db2.gz BEPBABOUEMVONB-WIDZWVOGSA-N 0 0 311.400 4.840 10 0 DJAERN CC(C)Oc1ccc(CNc2ccc(Br)cc2)cc1 ZINC000037203538 182872124 /nfs/dbraw/zinc/87/21/24/182872124.db2.gz JOAPRWGCJQGRPP-UHFFFAOYSA-N 0 0 320.230 4.848 10 0 DJAERN CCOCc1nc2scc(-c3cccs3)c2c(Cl)n1 ZINC000037757041 182923739 /nfs/dbraw/zinc/92/37/39/182923739.db2.gz MIVCOHWXGUGIHJ-UHFFFAOYSA-N 0 0 310.831 4.610 10 0 DJAERN Cc1cc(Br)cc(C)c1N[C@H](C)c1ccc(O)cc1 ZINC000037772332 182924401 /nfs/dbraw/zinc/92/44/01/182924401.db2.gz PYFXSASHZHDEPA-GFCCVEGCSA-N 0 0 320.230 4.945 10 0 DJAERN Nc1cc(Br)ccc1Oc1ccc(F)cc1Cl ZINC000037902054 182935475 /nfs/dbraw/zinc/93/54/75/182935475.db2.gz GZICLPXLTWXZEI-UHFFFAOYSA-N 0 0 316.557 4.616 10 0 DJAERN Cc1ccc([C@H](C)Nc2ncc(C(F)(F)F)cc2Cl)o1 ZINC000037976207 182948014 /nfs/dbraw/zinc/94/80/14/182948014.db2.gz SPPDFKZAJLOXHK-QMMMGPOBSA-N 0 0 304.699 4.828 10 0 DJAERN C[C@@H](Nc1ccc(Cl)cn1)c1cccc(Br)c1 ZINC000038012636 182963694 /nfs/dbraw/zinc/96/36/94/182963694.db2.gz WKMLAIPHFZXLKT-SECBINFHSA-N 0 0 311.610 4.671 10 0 DJAERN C[C@H](O)c1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000038001524 182957876 /nfs/dbraw/zinc/95/78/76/182957876.db2.gz QHMHAJYLDKLPFJ-QMMMGPOBSA-N 0 0 301.144 4.978 10 0 DJAERN CCN(c1ccc2ccccc2c1)[C@@H]1OC(=O)c2ccccc21 ZINC000039126718 183014120 /nfs/dbraw/zinc/01/41/20/183014120.db2.gz MPXNXDSCIPCDOI-LJQANCHMSA-N 0 0 303.361 4.535 10 0 DJAERN Cc1nc2ccccc2n1CCCCOc1c(C)cccc1C ZINC000040224713 183046947 /nfs/dbraw/zinc/04/69/47/183046947.db2.gz OAAMUTGXNPGTTE-UHFFFAOYSA-N 0 0 308.425 4.821 10 0 DJAERN COc1cccc(OCCCn2c3ccccc3nc2C(C)C)c1 ZINC000040231301 183048068 /nfs/dbraw/zinc/04/80/68/183048068.db2.gz HCPLRURKLDIQIA-UHFFFAOYSA-N 0 0 324.424 4.637 10 0 DJAERN Cc1cccc(OCCCn2c3ccccc3nc2C(C)C)c1 ZINC000040231299 183048087 /nfs/dbraw/zinc/04/80/87/183048087.db2.gz XUUXRQSWECHEJY-UHFFFAOYSA-N 0 0 308.425 4.937 10 0 DJAERN Cc1cc(C)cc(OCCn2c3ccccc3nc2C2CC2)c1 ZINC000040231613 183048497 /nfs/dbraw/zinc/04/84/97/183048497.db2.gz IXKAXFMKGSOFAM-UHFFFAOYSA-N 0 0 306.409 4.610 10 0 DJAERN O=C(Cn1c2ccccc2nc1C1CCCCC1)c1ccccc1 ZINC000040231574 183048603 /nfs/dbraw/zinc/04/86/03/183048603.db2.gz DXZMNHLDRGIXSS-UHFFFAOYSA-N 0 0 318.420 4.967 10 0 DJAERN Cc1cccc(OCc2nc3ccccc3n2CCC(C)C)c1 ZINC000040233996 183048654 /nfs/dbraw/zinc/04/86/54/183048654.db2.gz GMPJJSPXPOJXKL-UHFFFAOYSA-N 0 0 308.425 4.970 10 0 DJAERN COCCCn1c2cc(Cl)ccc2nc1C1CCCCC1 ZINC000040402830 183061723 /nfs/dbraw/zinc/06/17/23/183061723.db2.gz SAJTXDHIWWOCIS-UHFFFAOYSA-N 0 0 306.837 4.774 10 0 DJAERN CC(C)c1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000040409572 183063012 /nfs/dbraw/zinc/06/30/12/183063012.db2.gz SQCCISLOOZFZID-UHFFFAOYSA-N 0 0 308.303 4.820 10 0 DJAERN CC(C)Cn1c(COc2ccccc2)nc2cc(Cl)ccc21 ZINC000040417709 183063455 /nfs/dbraw/zinc/06/34/55/183063455.db2.gz VIDRGBRSXAZYQK-UHFFFAOYSA-N 0 0 314.816 4.925 10 0 DJAERN CCn1c(COc2cccc(C)c2C)nc2cc(Cl)ccc21 ZINC000040417235 183063531 /nfs/dbraw/zinc/06/35/31/183063531.db2.gz ODTCYQUBUWTCSY-UHFFFAOYSA-N 0 0 314.816 4.905 10 0 DJAERN Cc1cc(C)cc(Oc2ncnc(Nc3ccccc3C)c2N)c1 ZINC000040681446 183117112 /nfs/dbraw/zinc/11/71/12/183117112.db2.gz IKPUAEPKCVZHGK-UHFFFAOYSA-N 0 0 320.396 4.520 10 0 DJAERN Cc1ccc(Oc2ncnc(Sc3ccc(C)cc3)c2N)cc1 ZINC000040783398 183133680 /nfs/dbraw/zinc/13/36/80/183133680.db2.gz KIZSSWJKPOKJKE-UHFFFAOYSA-N 0 0 323.421 4.619 10 0 DJAERN CCCCCOc1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000040846396 183141023 /nfs/dbraw/zinc/14/10/23/183141023.db2.gz FWMRKRZXLZSHRM-UHFFFAOYSA-N 0 0 313.397 4.517 10 0 DJAERN Cc1ccc(Nc2ncnc(Sc3ccccc3)c2N)c(C)c1 ZINC000040755418 183129829 /nfs/dbraw/zinc/12/98/29/183129829.db2.gz NGHBWMQGPVKVTQ-UHFFFAOYSA-N 0 0 322.437 4.570 10 0 DJAERN CCCCOc1ccccc1/C=C/C(=O)N(C(C)C)C(C)C ZINC000040944050 183150155 /nfs/dbraw/zinc/15/01/55/183150155.db2.gz HPJOZAUWIYIOKS-OUKQBFOZSA-N 0 0 303.446 4.524 10 0 DJAERN CCCSc1nn2cc(-c3ccc(CC)cc3)nc2s1 ZINC000040965195 183152075 /nfs/dbraw/zinc/15/20/75/183152075.db2.gz PLUHYNLJQSYQKJ-UHFFFAOYSA-N 0 0 303.456 4.522 10 0 DJAERN COc1cccc2sc3nc(-c4cc(C)ccc4C)cn3c21 ZINC000040964682 183152200 /nfs/dbraw/zinc/15/22/00/183152200.db2.gz VVDYZHVCTZXCRU-UHFFFAOYSA-N 0 0 308.406 4.841 10 0 DJAERN CCOc1ccccc1-c1cn2c3ccc(OC)cc3sc2n1 ZINC000040964290 183152305 /nfs/dbraw/zinc/15/23/05/183152305.db2.gz QSOZPRHBARROJA-UHFFFAOYSA-N 0 0 324.405 4.623 10 0 DJAERN CCc1ccc(/C=C/C(=O)Nc2ccnc3ccc(C)cc32)cc1 ZINC000041057313 183160012 /nfs/dbraw/zinc/16/00/12/183160012.db2.gz HTTHPCNOHHBWAE-PKNBQFBNSA-N 0 0 316.404 4.758 10 0 DJAERN Cc1cc(C)c2nccc(NC(=O)/C=C/c3ccccc3)c2c1 ZINC000041057016 183160259 /nfs/dbraw/zinc/16/02/59/183160259.db2.gz ZILBWMMFVNSXCQ-CMDGGOBGSA-N 0 0 302.377 4.504 10 0 DJAERN Cc1ccc2nccc(NC(=O)/C=C/c3ccc(Cl)cc3)c2c1 ZINC000041057297 183160353 /nfs/dbraw/zinc/16/03/53/183160353.db2.gz DYIZYRWEOZPGMF-WEVVVXLNSA-N 0 0 322.795 4.849 10 0 DJAERN CCc1ccc(/C=C/C(=O)Nc2ccnc3c(F)cccc23)cc1 ZINC000041058117 183160947 /nfs/dbraw/zinc/16/09/47/183160947.db2.gz KZCBLDXGGSGZNL-ZHACJKMWSA-N 0 0 320.367 4.588 10 0 DJAERN c1coc(CNc2nc(NC3CCCCC3)nc3ccccc32)c1 ZINC000041151410 183178752 /nfs/dbraw/zinc/17/87/52/183178752.db2.gz DSWSFQCRGIJTME-UHFFFAOYSA-N 0 0 322.412 4.580 10 0 DJAERN O=C(CCCc1ccc(Br)cc1)c1ccccc1 ZINC000041516887 183196897 /nfs/dbraw/zinc/19/68/97/183196897.db2.gz JVHPRBJJKZQBPR-UHFFFAOYSA-N 0 0 303.199 4.655 10 0 DJAERN Cc1cc(C)cc(OCCNc2cccc(C(F)(F)F)c2)c1 ZINC000041543205 183201418 /nfs/dbraw/zinc/20/14/18/183201418.db2.gz QJCBYWANYADNRX-UHFFFAOYSA-N 0 0 309.331 4.813 10 0 DJAERN OC[C@H](Cc1cccc(F)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000041564694 183202761 /nfs/dbraw/zinc/20/27/61/183202761.db2.gz YPCRKSWAANLNOB-CYBMUJFWSA-N 0 0 313.199 4.526 10 0 DJAERN Oc1ccc(CNc2cc(Cl)ccc2Cl)cc1Cl ZINC000043476655 183365632 /nfs/dbraw/zinc/36/56/32/183365632.db2.gz YHHBHSQSPAKXFO-UHFFFAOYSA-N 0 0 302.588 4.965 10 0 DJAERN Oc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000043476770 183366006 /nfs/dbraw/zinc/36/60/06/183366006.db2.gz AMTNAFDKAOWJKJ-UHFFFAOYSA-N 0 0 302.588 4.965 10 0 DJAERN CC(C)COc1ccccc1NCc1ccc(O)c(Cl)c1 ZINC000043488286 183366424 /nfs/dbraw/zinc/36/64/24/183366424.db2.gz JFQJHYZLUDNNOV-UHFFFAOYSA-N 0 0 305.805 4.693 10 0 DJAERN Clc1ccccc1COCc1ccc(Br)s1 ZINC000043679349 183379058 /nfs/dbraw/zinc/37/90/58/183379058.db2.gz JIDIZMUIBOMTME-UHFFFAOYSA-N 0 0 317.635 4.881 10 0 DJAERN Fc1ccc(Nc2nc(Cl)c3c(n2)CCCC3)cc1Cl ZINC000057343398 184034481 /nfs/dbraw/zinc/03/44/81/184034481.db2.gz SVUPWJJWVCIJPX-UHFFFAOYSA-N 0 0 312.175 4.545 10 0 DJAERN CC(C)c1ccc(NCc2ccc(O)c(Br)c2)cc1 ZINC000057998020 184066188 /nfs/dbraw/zinc/06/61/88/184066188.db2.gz MQYAJTXFIYRWHN-UHFFFAOYSA-N 0 0 320.230 4.890 10 0 DJAERN Nc1nc(-c2ccc(SC3CCCCC3)c(F)c2)cs1 ZINC000058823263 184129464 /nfs/dbraw/zinc/12/94/64/184129464.db2.gz SYKVIGKUNQCISV-UHFFFAOYSA-N 0 0 308.447 4.956 10 0 DJAERN OCc1cccc(Cn2c(-c3ccccc3)cc3ccccc32)c1 ZINC000059871941 184142043 /nfs/dbraw/zinc/14/20/43/184142043.db2.gz QZHRMJSZJWVLEW-UHFFFAOYSA-N 0 0 313.400 4.849 10 0 DJAERN CCCOc1cccc([C@@H](O)c2cc(Cl)sc2Cl)c1 ZINC000061668227 184181952 /nfs/dbraw/zinc/18/19/52/184181952.db2.gz PUGKKHAXIHYUES-CYBMUJFWSA-N 0 0 317.237 4.925 10 0 DJAERN C[C@@H](Nc1cc(Br)ccc1Cl)c1ccncc1 ZINC000061690796 184182804 /nfs/dbraw/zinc/18/28/04/184182804.db2.gz MVSDHESVNZJZMG-SECBINFHSA-N 0 0 311.610 4.671 10 0 DJAERN O[C@H](c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000061903786 184194015 /nfs/dbraw/zinc/19/40/15/184194015.db2.gz XEXKJURGOMQHBN-HNNXBMFYSA-N 0 0 301.798 4.545 10 0 DJAERN C[C@H](O)Cc1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1 ZINC000062771305 184253060 /nfs/dbraw/zinc/25/30/60/184253060.db2.gz SIRJTJLYSLYVBP-ZETCQYMHSA-N 0 0 305.588 4.830 10 0 DJAERN Nc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000064871529 184305304 /nfs/dbraw/zinc/30/53/04/184305304.db2.gz NICHTAJTEXKCFP-UHFFFAOYSA-N 0 0 311.388 4.993 10 0 DJAERN CCc1ccc(NC(=O)c2ccccc2C)c(Br)c1 ZINC000065000275 184308141 /nfs/dbraw/zinc/30/81/41/184308141.db2.gz NAUUXDVLVCBHAQ-UHFFFAOYSA-N 0 0 318.214 4.572 10 0 DJAERN Oc1cc(Br)cc(-c2cccc(C(F)(F)F)c2)c1 ZINC000065343906 184325847 /nfs/dbraw/zinc/32/58/47/184325847.db2.gz GOXWEZLOLIOVRL-UHFFFAOYSA-N 0 0 317.104 4.841 10 0 DJAERN Oc1cc(-c2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)c1 ZINC000065344388 184325976 /nfs/dbraw/zinc/32/59/76/184325976.db2.gz BITBDKCELJNEJO-UHFFFAOYSA-N 0 0 322.204 4.977 10 0 DJAERN Cc1cc(Cl)cc(-c2cc(O)cc(OC(F)(F)F)c2)c1 ZINC000065344222 184326133 /nfs/dbraw/zinc/32/61/33/184326133.db2.gz HHWPZVRRHMYLPA-UHFFFAOYSA-N 0 0 302.679 4.920 10 0 DJAERN Cc1ccc2cc(-c3n[nH]c4ccc(NC5CCC5)cc43)[nH]c2c1 ZINC000066097530 184388412 /nfs/dbraw/zinc/38/84/12/184388412.db2.gz SLAQUMZZEPCWMD-UHFFFAOYSA-N 0 0 316.408 4.984 10 0 DJAERN Cc1ccc2cc(-c3n[nH]c4ccc(NC(C)C)cc43)[nH]c2c1 ZINC000066097528 184388769 /nfs/dbraw/zinc/38/87/69/184388769.db2.gz SYGQAWQJZPECRH-UHFFFAOYSA-N 0 0 304.397 4.840 10 0 DJAERN C[C@@H](Nc1ncccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000037986970 331593821 /nfs/dbraw/zinc/59/38/21/331593821.db2.gz JHFZAPJMISUSFC-SECBINFHSA-N 0 0 300.711 4.927 10 0 DJAERN CC1(C)CCCC[C@@H]1CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000124551877 331791714 /nfs/dbraw/zinc/79/17/14/331791714.db2.gz VXCWAIASLFHLMR-CABCVRRESA-N 0 0 320.502 4.803 10 0 DJAERN CCc1nc(CN[C@@H](c2ccccc2)c2ccccc2C)cs1 ZINC000180502174 333028184 /nfs/dbraw/zinc/02/81/84/333028184.db2.gz LDHWFHMVPHNUTC-FQEVSTJZSA-N 0 0 322.477 4.893 10 0 DJAERN Cc1nc(CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)cs1 ZINC000040443784 333352937 /nfs/dbraw/zinc/35/29/37/333352937.db2.gz IVMGZLBWRLQJNY-ZETCQYMHSA-N 0 0 319.232 4.748 10 0 DJAERN CC(C)c1ccc([C@@H](C)N[C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000187669924 334268784 /nfs/dbraw/zinc/26/87/84/334268784.db2.gz WHOIPEZVSBLIPU-UZLBHIALSA-N 0 0 319.452 4.973 10 0 DJAERN C[C@H](NC(=O)NCCC1=CCCCC1)c1ccc(Cl)s1 ZINC000048448170 334290403 /nfs/dbraw/zinc/29/04/03/334290403.db2.gz HMRJTBGTUQCGAF-NSHDSACASA-N 0 0 312.866 4.652 10 0 DJAERN CCc1csc([C@H]2CCCN(C(=O)CCCC(C)(C)C)C2)n1 ZINC000113203152 334737256 /nfs/dbraw/zinc/73/72/56/334737256.db2.gz IUWNFXIHUQTBEH-AWEZNQCLSA-N 0 0 322.518 4.628 10 0 DJAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2-c2ccccc2)O1 ZINC000189075186 334882305 /nfs/dbraw/zinc/88/23/05/334882305.db2.gz HIKQSBNWLSXPDP-SJKOYZFVSA-N 0 0 315.800 4.513 10 0 DJAERN Cc1ccc([C@@H](C)NCc2nc3ccccc3s2)cc1F ZINC000094836727 335755574 /nfs/dbraw/zinc/75/55/74/335755574.db2.gz RFHQODPATDIYGE-GFCCVEGCSA-N 0 0 300.402 4.595 10 0 DJAERN CC(C)[C@@H](CC(=O)N1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000116038976 335873960 /nfs/dbraw/zinc/87/39/60/335873960.db2.gz FOFTYRAROFQVNV-QZTJIDSGSA-N 0 0 311.425 4.773 10 0 DJAERN COc1ccc(CSCc2nccn2C(C)C)cc1Cl ZINC000179233598 335947838 /nfs/dbraw/zinc/94/78/38/335947838.db2.gz KHTULMKCIWKWSM-UHFFFAOYSA-N 0 0 310.850 4.559 10 0 DJAERN CC1(C)CC[C@H](Nc2cccc3c2OCC(=O)N3)c2ccccc21 ZINC000329541325 335991817 /nfs/dbraw/zinc/99/18/17/335991817.db2.gz XELKMAULYMVQQR-HNNXBMFYSA-N 0 0 322.408 4.892 10 0 DJAERN c1cnc2nc(Oc3ccc(NC4CCCCC4)cc3)ccc2n1 ZINC000301232232 336296016 /nfs/dbraw/zinc/29/60/16/336296016.db2.gz JXBLHIDXWRBWTK-UHFFFAOYSA-N 0 0 320.396 4.562 10 0 DJAERN Cc1ccc([C@H]2C[C@H](C)CCN2c2ncnc3sccc32)o1 ZINC000301413445 336305160 /nfs/dbraw/zinc/30/51/60/336305160.db2.gz AZBQYAPJLKEJLL-BXUZGUMPSA-N 0 0 313.426 4.570 10 0 DJAERN COCC[C@@H](Nc1ccnc(Cl)c1)c1ccc(Cl)cc1 ZINC000301614282 336318306 /nfs/dbraw/zinc/31/83/06/336318306.db2.gz APQIUZVXQOBLBL-CQSZACIVSA-N 0 0 311.212 4.578 10 0 DJAERN FC(F)(F)[C@H]1CCC[C@@H](Nc2cc(Cl)nc(C3CC3)n2)C1 ZINC000301916373 336337943 /nfs/dbraw/zinc/33/79/43/336337943.db2.gz IZJIJHPQAXTFJO-VHSXEESVSA-N 0 0 319.758 4.540 10 0 DJAERN CC(C)c1nsc(N[C@H](c2cc(F)ccc2F)C2CC2)n1 ZINC000301946908 336339404 /nfs/dbraw/zinc/33/94/04/336339404.db2.gz COAJXNSTKNETPS-ZDUSSCGKSA-N 0 0 309.385 4.503 10 0 DJAERN CC(C)Nc1cccc(CNc2nc(-c3ccccc3)ns2)c1 ZINC000302258059 336356342 /nfs/dbraw/zinc/35/63/42/336356342.db2.gz BIGYGVLBGIXYEP-UHFFFAOYSA-N 0 0 324.453 4.638 10 0 DJAERN C[C@H](Nc1ncc(C(F)(F)F)s1)c1ccc(F)c(F)c1 ZINC000302773442 336368432 /nfs/dbraw/zinc/36/84/32/336368432.db2.gz NSPZVAQYQLKWOV-LURJTMIESA-N 0 0 308.275 4.613 10 0 DJAERN CCc1cccc(CC)c1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116476878 336840570 /nfs/dbraw/zinc/84/05/70/336840570.db2.gz KDDLWVOFXJVXPZ-INIZCTEOSA-N 0 0 312.413 4.773 10 0 DJAERN CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2CCCc3cccnc32)cc1 ZINC000193852975 337079629 /nfs/dbraw/zinc/07/96/29/337079629.db2.gz CDYYWQXUAFFKDQ-HNAYVOBHSA-N 0 0 322.452 4.502 10 0 DJAERN O=C(C1CCCCCCC1)N1CCCC[C@H]1c1nccs1 ZINC000172900911 337132240 /nfs/dbraw/zinc/13/22/40/337132240.db2.gz XUIYWIOTWJLZCD-HNNXBMFYSA-N 0 0 306.475 4.557 10 0 DJAERN Cc1cc(CSCc2ncc(-c3ccccc3Cl)o2)no1 ZINC000173759899 337136064 /nfs/dbraw/zinc/13/60/64/337136064.db2.gz HPXWAAYEVZAORO-UHFFFAOYSA-N 0 0 320.801 4.725 10 0 DJAERN CCCCCC[C@H](C)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000173512101 337136093 /nfs/dbraw/zinc/13/60/93/337136093.db2.gz JJPOWEROKWBRQK-GJZGRUSLSA-N 0 0 308.491 4.803 10 0 DJAERN Cc1cccc(NC(=O)N2CCC[C@@H]2c2ccco2)c1Cl ZINC000174936146 337143690 /nfs/dbraw/zinc/14/36/90/337143690.db2.gz QZXKGYOGEUPKCF-CYBMUJFWSA-N 0 0 304.777 4.610 10 0 DJAERN Fc1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)CC2 ZINC000178610757 337165437 /nfs/dbraw/zinc/16/54/37/337165437.db2.gz LXTZKLUWUUDQKG-NHCUHLMSSA-N 0 0 318.395 4.587 10 0 DJAERN Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)CC2 ZINC000178611902 337165460 /nfs/dbraw/zinc/16/54/60/337165460.db2.gz CZDKLKNQJNUKSO-VXKWHMMOSA-N 0 0 314.432 4.757 10 0 DJAERN Cc1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)CC2 ZINC000178611920 337165468 /nfs/dbraw/zinc/16/54/68/337165468.db2.gz CZDKLKNQJNUKSO-FCHUYYIVSA-N 0 0 314.432 4.757 10 0 DJAERN Cc1ccccc1[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000178611634 337165492 /nfs/dbraw/zinc/16/54/92/337165492.db2.gz QONXVOLBJDAFGU-UTKZUKDTSA-N 0 0 302.421 4.830 10 0 DJAERN CCc1ccc([C@H](C)N[C@@H](c2ccccc2)c2cccnc2)o1 ZINC000178615093 337165659 /nfs/dbraw/zinc/16/56/59/337165659.db2.gz GDLFCHZUPYTEBI-YWZLYKJASA-N 0 0 306.409 4.677 10 0 DJAERN CC[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(OC)cc1 ZINC000179810416 337171850 /nfs/dbraw/zinc/17/18/50/337171850.db2.gz DHLMKPZEXSMHFM-GOSISDBHSA-N 0 0 324.424 4.533 10 0 DJAERN Cc1coc(-c2ccc(C)c(N[C@H](C)c3cnc(C)s3)c2)n1 ZINC000180035009 337173199 /nfs/dbraw/zinc/17/31/99/337173199.db2.gz WDLOKXYBYMRFRB-GFCCVEGCSA-N 0 0 313.426 4.896 10 0 DJAERN C[C@@H]1C[C@H](C(=O)N2CCCC[C@@H]2c2nccs2)CC(C)(C)C1 ZINC000180802708 337179965 /nfs/dbraw/zinc/17/99/65/337179965.db2.gz OAJMZUFOCMETIW-QLFBSQMISA-N 0 0 320.502 4.659 10 0 DJAERN Cc1ccccc1[C@H](C)NCc1ncc(-c2cccc(F)c2)o1 ZINC000181534314 337182818 /nfs/dbraw/zinc/18/28/18/337182818.db2.gz GWPSSSWQKALORN-AWEZNQCLSA-N 0 0 310.372 4.640 10 0 DJAERN FC(F)c1ccc(CN2CCCC[C@H]2c2nccs2)cc1 ZINC000183932883 337195651 /nfs/dbraw/zinc/19/56/51/337195651.db2.gz YIOSDUWETFLUAV-AWEZNQCLSA-N 0 0 308.397 4.808 10 0 DJAERN COc1ccsc1[C@@H](C)N[C@H](c1ccccc1)c1cccnc1 ZINC000186150490 337253985 /nfs/dbraw/zinc/25/39/85/337253985.db2.gz UKTPUQYZASAPGH-RDTXWAMCSA-N 0 0 324.449 4.592 10 0 DJAERN CCCCCC[C@@H](C)C(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187026688 337261297 /nfs/dbraw/zinc/26/12/97/337261297.db2.gz GJRDIFANNDKPNG-CJNGLKHVSA-N 0 0 308.491 4.722 10 0 DJAERN O=CN1c2cc(Cl)ccc2CSc2ccc(Cl)cc21 ZINC000584602108 337371103 /nfs/dbraw/zinc/37/11/03/337371103.db2.gz IGKDIOFAQDAOFU-UHFFFAOYSA-N 0 0 310.205 4.894 10 0 DJAERN CCC/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)OCC ZINC000584602813 337371171 /nfs/dbraw/zinc/37/11/71/337371171.db2.gz BMLAZQXDIIUXNP-ZJJGVRJWSA-N 0 0 308.462 4.842 10 0 DJAERN FC(F)(F)c1ccc(-c2nc3c([nH]2)Cc2ccccc2-3)cc1 ZINC000584605935 337371541 /nfs/dbraw/zinc/37/15/41/337371541.db2.gz RBMIWPATDCTDFF-UHFFFAOYSA-N 0 0 300.283 4.667 10 0 DJAERN Brc1cc2c(cc1Br)C1CCC2CC1 ZINC000584615565 337372694 /nfs/dbraw/zinc/37/26/94/337372694.db2.gz PMTZEAHIPHRPNM-UHFFFAOYSA-N 0 0 316.036 4.966 10 0 DJAERN C=Cc1c(Br)ccc(OCc2ccccc2)c1F ZINC000584593062 337373578 /nfs/dbraw/zinc/37/35/78/337373578.db2.gz KRTVZBZIKULDNU-UHFFFAOYSA-N 0 0 307.162 4.810 10 0 DJAERN COc1cc(OC)cc([C@@H](C)[C@@H](C)Cc2ccc(F)cc2)c1 ZINC000584593127 337373650 /nfs/dbraw/zinc/37/36/50/337373650.db2.gz UILNVJJEEZZRRG-KBPBESRZSA-N 0 0 302.389 4.825 10 0 DJAERN COC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)c1ccccc1C ZINC000584596204 337374280 /nfs/dbraw/zinc/37/42/80/337374280.db2.gz ARPBURKLTHUDLW-HNNXBMFYSA-N 0 0 323.219 4.801 10 0 DJAERN COc1cc(Cl)ccc1Oc1nccc2ccnc(Cl)c21 ZINC000584624271 337375332 /nfs/dbraw/zinc/37/53/32/337375332.db2.gz PIIQEODTSAARLC-UHFFFAOYSA-N 0 0 321.163 4.738 10 0 DJAERN O[C@H](c1ccccc1Cl)[C@@H](c1ccccc1)c1ccccn1 ZINC000584629424 337376392 /nfs/dbraw/zinc/37/63/92/337376392.db2.gz HXQBKTRGPKHYTM-RBUKOAKNSA-N 0 0 309.796 4.601 10 0 DJAERN C[C@](O)(c1ccc(Cl)cc1)[C@@H](c1ccccc1)c1ccncc1 ZINC000584636885 337379440 /nfs/dbraw/zinc/37/94/40/337379440.db2.gz IDZVPEGYANETJH-PMACEKPBSA-N 0 0 323.823 4.775 10 0 DJAERN Fc1cccc2c1[C@@H](C[C@H](F)C1CCCCC1)n1cncc1-2 ZINC000584638958 337379666 /nfs/dbraw/zinc/37/96/66/337379666.db2.gz OHWIXLJBJCDWBA-JKSUJKDBSA-N 0 0 302.368 4.901 10 0 DJAERN CCOC(=O)c1c(C)cc(C)c2ncc(-c3ccccc3)cc21 ZINC000584639233 337379776 /nfs/dbraw/zinc/37/97/76/337379776.db2.gz FEIIDORMNAQTCK-UHFFFAOYSA-N 0 0 305.377 4.695 10 0 DJAERN CCOCCO[C@H](C)c1ccc2c(c1)c1ccccc1n2CC ZINC000584640973 337379955 /nfs/dbraw/zinc/37/99/55/337379955.db2.gz ABKNBBAXHKNGKW-OAHLLOKOSA-N 0 0 311.425 4.929 10 0 DJAERN COc1cccnc1[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000584649342 337380490 /nfs/dbraw/zinc/38/04/90/337380490.db2.gz PWNOYNRIMGBRMM-SFHVURJKSA-N 0 0 309.796 4.924 10 0 DJAERN CSc1ncncc1[C@H](c1ccccc1)c1ccccc1F ZINC000584650469 337380755 /nfs/dbraw/zinc/38/07/55/337380755.db2.gz NZPMEFSUOBHYHH-QGZVFWFLSA-N 0 0 310.397 4.518 10 0 DJAERN CSc1ncncc1[C@@H](c1ccccc1)c1ccccc1F ZINC000584650466 337380812 /nfs/dbraw/zinc/38/08/12/337380812.db2.gz NZPMEFSUOBHYHH-KRWDZBQOSA-N 0 0 310.397 4.518 10 0 DJAERN C[C@H](CC(=O)N1CC=C(c2cccs2)CC1)c1ccccc1 ZINC000117724453 337393646 /nfs/dbraw/zinc/39/36/46/337393646.db2.gz ZHYPHDMYUCDMEP-OAHLLOKOSA-N 0 0 311.450 4.558 10 0 DJAERN Cc1cccc(NC(=O)N2CC=C(c3cccs3)CC2)c1C ZINC000118006934 337393779 /nfs/dbraw/zinc/39/37/79/337393779.db2.gz GSGUPCPSGMMSRV-UHFFFAOYSA-N 0 0 312.438 4.686 10 0 DJAERN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(Cl)s1 ZINC000130216541 337432422 /nfs/dbraw/zinc/43/24/22/337432422.db2.gz CPTHAYSXZIWEJB-SNVBAGLBSA-N 0 0 320.845 4.849 10 0 DJAERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)C1CCC(F)(F)CC1 ZINC000248142540 337562677 /nfs/dbraw/zinc/56/26/77/337562677.db2.gz YUJTWQGEXZWUGT-CPUCHLNUSA-N 0 0 321.411 4.605 10 0 DJAERN Cc1ccc(NC(=O)N(Cc2ccco2)C2CCCC2)c(C)c1 ZINC000105347467 337806122 /nfs/dbraw/zinc/80/61/22/337806122.db2.gz RBAXFPMIBHVRMI-UHFFFAOYSA-N 0 0 312.413 4.873 10 0 DJAERN CCn1nc(C)c([C@H](C)Nc2cc(Cl)cc(Cl)c2)c1C ZINC000045167303 337820576 /nfs/dbraw/zinc/82/05/76/337820576.db2.gz TTWAKVBBNJPSOI-VIFPVBQESA-N 0 0 312.244 5.000 10 0 DJAERN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc2c1CCCN2 ZINC000165655780 339052952 /nfs/dbraw/zinc/05/29/52/339052952.db2.gz DXFQNBVIFHXPII-UHFFFAOYSA-N 0 0 321.207 4.604 10 0 DJAERN CC1(C)CCc2ccccc2[C@@H]1NCc1ncc(Cl)s1 ZINC000472080590 339362972 /nfs/dbraw/zinc/36/29/72/339362972.db2.gz QUTRPHXSLHIXCW-HNNXBMFYSA-N 0 0 306.862 4.600 10 0 DJAERN Cc1csc([C@H]2CCCN(C(=O)CCC3CCCCC3)C2)n1 ZINC000173062690 340357094 /nfs/dbraw/zinc/35/70/94/340357094.db2.gz OKBIWRQHSCPDOM-INIZCTEOSA-N 0 0 320.502 4.518 10 0 DJAERN C[C@H](CCC(C)(C)C)NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176379166 340427045 /nfs/dbraw/zinc/42/70/45/340427045.db2.gz IPTZPTKMPBXJML-KGLIPLIRSA-N 0 0 323.506 4.595 10 0 DJAERN Cc1c([C@H](C)Nc2ccccc2OC(F)F)cnn1C(C)(C)C ZINC000191466916 340554523 /nfs/dbraw/zinc/55/45/23/340554523.db2.gz WQPUPZYAMLASHJ-NSHDSACASA-N 0 0 323.387 4.721 10 0 DJAERN C[C@H](c1ccco1)N(C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000124536593 340799676 /nfs/dbraw/zinc/79/96/76/340799676.db2.gz WKULPDQYMYSQOD-LSDHHAIUSA-N 0 0 322.408 4.896 10 0 DJAERN O=C(Nc1ccc2c(c1)CCCN2)c1cc(Cl)ccc1Cl ZINC000071214744 341025838 /nfs/dbraw/zinc/02/58/38/341025838.db2.gz FFWHXVNREAYHPJ-UHFFFAOYSA-N 0 0 321.207 4.604 10 0 DJAERN CCC(CC)CC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000131808730 341111987 /nfs/dbraw/zinc/11/19/87/341111987.db2.gz PBQPLVKCJDHSTG-OAHLLOKOSA-N 0 0 322.518 4.799 10 0 DJAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2ccccc2c1 ZINC000078491036 341242941 /nfs/dbraw/zinc/24/29/41/341242941.db2.gz WAFBVLIFZDSQFL-CVEARBPZSA-N 0 0 321.342 4.691 10 0 DJAERN C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000248376887 341375907 /nfs/dbraw/zinc/37/59/07/341375907.db2.gz DXPSYPCTDBDMNP-OAHLLOKOSA-N 0 0 321.395 4.789 10 0 DJAERN CC[C@H](SCc1nnc(C)n1CC)c1ccc(Cl)cc1 ZINC000091029515 341421461 /nfs/dbraw/zinc/42/14/61/341421461.db2.gz JKWXYIBSAGHAPH-AWEZNQCLSA-N 0 0 309.866 4.644 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(C)cc2C)o1 ZINC000153139937 341526591 /nfs/dbraw/zinc/52/65/91/341526591.db2.gz LUJLSSCYNPRXKY-KRWDZBQOSA-N 0 0 312.413 4.964 10 0 DJAERN CCc1ccccc1NC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000153702250 341577370 /nfs/dbraw/zinc/57/73/70/341577370.db2.gz OITIBHSILTZFFX-QGZVFWFLSA-N 0 0 312.413 4.910 10 0 DJAERN Cc1ccc([C@@H](C)N[C@@H](C)c2cc(C)ccc2OC(F)F)o1 ZINC000158101865 341651472 /nfs/dbraw/zinc/65/14/72/341651472.db2.gz URESJTXNMILIQT-QWHCGFSZSA-N 0 0 309.356 4.910 10 0 DJAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)[C@@H](C)c2cccnc2)cc1 ZINC000130441732 519839642 /nfs/dbraw/zinc/83/96/42/519839642.db2.gz QCSOICMGYJZYRE-RYGJVYDSSA-N 0 0 322.452 4.528 10 0 DJAERN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000189218902 519841289 /nfs/dbraw/zinc/84/12/89/519841289.db2.gz ZXMJJMZQXCEFQB-RHSMWYFYSA-N 0 0 303.446 4.687 10 0 DJAERN CCc1onc(C)c1NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000179035146 523055384 /nfs/dbraw/zinc/05/53/84/523055384.db2.gz SJQYGOGHVLMQOY-GFCCVEGCSA-N 0 0 315.417 4.552 10 0 DJAERN CCc1ccc([C@H]2CCCCN2C(=O)Nc2ccsc2)o1 ZINC000162308002 524053204 /nfs/dbraw/zinc/05/32/04/524053204.db2.gz SPUUCCNAZGZWNB-CQSZACIVSA-N 0 0 304.415 4.663 10 0 DJAERN Cc1ccc([S@](=O)[C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000156989777 526094247 /nfs/dbraw/zinc/09/42/47/526094247.db2.gz QJEWBKDWOKBCCA-FPTDNZKUSA-N 0 0 311.406 4.519 10 0 DJAERN CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 ZINC000001044054 563275195 /nfs/dbraw/zinc/27/51/95/563275195.db2.gz KBQKGGJUVOFYMC-CSODHUTKSA-N 0 0 313.485 4.929 10 0 DJAERN O=[P@]1(Oc2cccc(Cl)c2)OCCCN1c1ccccc1 ZINC000003099506 563321815 /nfs/dbraw/zinc/32/18/15/563321815.db2.gz HTBXFIZFGUSEQT-NRFANRHFSA-N 0 0 323.716 4.754 10 0 DJAERN COc1cc(C)c2c(c1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]21 ZINC000013467323 563382138 /nfs/dbraw/zinc/38/21/38/563382138.db2.gz LHXMMRGMJDCCPZ-SACAXFFCSA-N 0 0 314.469 4.611 10 0 DJAERN Cc1c(Br)cccc1-c1cc(Cl)cnc1F ZINC000725241296 563524949 /nfs/dbraw/zinc/52/49/49/563524949.db2.gz JOIWAIQHWSRBAF-UHFFFAOYSA-N 0 0 300.558 4.612 10 0 DJAERN Cc1sc(-c2ccc([C@@H]3CCO3)cc2)cc1Br ZINC000725265219 563571037 /nfs/dbraw/zinc/57/10/37/563571037.db2.gz POVMVJMNIQFINP-ZDUSSCGKSA-N 0 0 309.228 4.947 10 0 DJAERN Oc1cc2cccc(Br)c2nc1C1CCCCC1 ZINC000725267434 563573932 /nfs/dbraw/zinc/57/39/32/563573932.db2.gz GWZOIKWLTYYZTR-UHFFFAOYSA-N 0 0 306.203 4.751 10 0 DJAERN CC(C)n1cc(C(F)F)c(-c2ccc(Br)cc2)n1 ZINC000725270747 563576000 /nfs/dbraw/zinc/57/60/00/563576000.db2.gz SCBHEBHKXIUDFZ-UHFFFAOYSA-N 0 0 315.161 4.831 10 0 DJAERN FC(F)(F)c1ccccc1-c1nc(Cl)c2ccccc2n1 ZINC000114587539 563701072 /nfs/dbraw/zinc/70/10/72/563701072.db2.gz CFEKRHHTPRDKMS-UHFFFAOYSA-N 0 0 308.690 4.969 10 0 DJAERN Cc1cc(C(F)F)nc2cc(Br)c(Cl)cc12 ZINC000669372757 563868742 /nfs/dbraw/zinc/86/87/42/563868742.db2.gz ZLMMWFIEVAKTOU-UHFFFAOYSA-N 0 0 306.537 4.897 10 0 DJAERN CC(C)COc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 ZINC000048523214 563923842 /nfs/dbraw/zinc/92/38/42/563923842.db2.gz FZVCTEYQBABFCC-UHFFFAOYSA-N 0 0 300.789 4.918 10 0 DJAERN CC(C)(C)OC(=O)/C=C/c1cccc(OCc2ccccc2)c1 ZINC000137409981 563939411 /nfs/dbraw/zinc/93/94/11/563939411.db2.gz WQWCSJZOORPNKJ-OUKQBFOZSA-N 0 0 310.393 4.621 10 0 DJAERN O=C1CC[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1 ZINC000095576396 185380787 /nfs/dbraw/zinc/38/07/87/185380787.db2.gz KNSOTDNPGSDMLD-NVXWUHKLSA-N 0 0 320.219 4.728 10 0 DJAERN Cc1cc2[nH]c(-c3ccccc3-c3ncc[nH]3)nc2cc1Cl ZINC000090484679 185298728 /nfs/dbraw/zinc/29/87/28/185298728.db2.gz SIXDHKHXPCLBDH-UHFFFAOYSA-N 0 0 308.772 4.582 10 0 DJAERN Cc1ccc(C(=O)Cc2cnc(C=Cc3ccccc3)o2)cc1 ZINC000090377813 185293381 /nfs/dbraw/zinc/29/33/81/185293381.db2.gz CIOGFZOZGMFYKN-FMIVXFBMSA-N 0 0 303.361 4.579 10 0 DJAERN Cc1cc(Cl)c(OCCc2ccc(C=O)cc2)c(Cl)c1 ZINC000090669174 185308931 /nfs/dbraw/zinc/30/89/31/185308931.db2.gz OONTVLLCKAFALT-UHFFFAOYSA-N 0 0 309.192 4.736 10 0 DJAERN Cc1ccc(NCCCc2ccccc2)c(Br)c1 ZINC000019231659 190644668 /nfs/dbraw/zinc/64/46/68/190644668.db2.gz GGHKBBNNTQXKCN-UHFFFAOYSA-N 0 0 304.231 4.802 10 0 DJAERN Cc1cc(C)cc(OCCOc2cccc(Br)c2)c1 ZINC000070133511 190860893 /nfs/dbraw/zinc/86/08/93/190860893.db2.gz UXGSQJRJEOFAAX-UHFFFAOYSA-N 0 0 321.214 4.524 10 0 DJAERN Cc1ccc2cc([C@@H]3CC(c4ccccc4)=NN3)c(Cl)nc2c1 ZINC000142418802 186032379 /nfs/dbraw/zinc/03/23/79/186032379.db2.gz UQLFMFXIUDNVFT-SFHVURJKSA-N 0 0 321.811 4.635 10 0 DJAERN Cc1nn2c(nccc2CCC(C)C)c1-c1ccc(Cl)cc1 ZINC000072441550 191167739 /nfs/dbraw/zinc/16/77/39/191167739.db2.gz RXRYAPZYZYBXEI-UHFFFAOYSA-N 0 0 313.832 4.947 10 0 DJAERN Cc1cc(C(=O)NC2CCCCC2)c2c(c1)C(C)=CC(C)(C)N2 ZINC000072441522 191167763 /nfs/dbraw/zinc/16/77/63/191167763.db2.gz GCYAIOOSYYUJDO-UHFFFAOYSA-N 0 0 312.457 4.665 10 0 DJAERN COc1ccc(Nc2nccc(/C=C/c3ccccc3C)n2)cc1 ZINC000072443701 191168455 /nfs/dbraw/zinc/16/84/55/191168455.db2.gz HURHHFYNKMXBDH-BQYQJAHWSA-N 0 0 317.392 4.708 10 0 DJAERN Cc1ccc(Nc2nccc(/C=C/c3ccc(F)cc3)n2)cc1 ZINC000072443691 191168940 /nfs/dbraw/zinc/16/89/40/191168940.db2.gz CCFILYSZUBHRIQ-IZZDOVSWSA-N 0 0 305.356 4.838 10 0 DJAERN Cc1ccccc1C(=O)Nc1nc2c(ccc(Cl)c2C)s1 ZINC000004331281 181098718 /nfs/dbraw/zinc/09/87/18/181098718.db2.gz ZFBZKLSRNSRQPD-UHFFFAOYSA-N 0 0 316.813 4.819 10 0 DJAERN CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1 ZINC000004336626 181099317 /nfs/dbraw/zinc/09/93/17/181099317.db2.gz KBQKGGJUVOFYMC-LZJOCLMNSA-N 0 0 313.485 4.929 10 0 DJAERN Clc1cccc(-c2nc(Cl)cc(-c3ccncc3)n2)c1 ZINC000073695376 191342333 /nfs/dbraw/zinc/34/23/33/191342333.db2.gz NQRNFOXEJOIABQ-UHFFFAOYSA-N 0 0 302.164 4.512 10 0 DJAERN Cc1ccc(C(=O)Nc2nc3cc(C)c(C)cc3s2)c(C)c1 ZINC000005152421 181210359 /nfs/dbraw/zinc/21/03/59/181210359.db2.gz CPXGESZVZZEKII-UHFFFAOYSA-N 0 0 310.422 4.782 10 0 DJAERN COc1ccc(-c2nc(-c3ccccc3)nc3ccccc32)cc1 ZINC000005360717 181234560 /nfs/dbraw/zinc/23/45/60/181234560.db2.gz SHDXRDDBMFZTKP-UHFFFAOYSA-N 0 0 312.372 4.972 10 0 DJAERN CCN(CC)c1ccc2nc(-c3ccc(Cl)cc3)oc2c1 ZINC000005311877 181228357 /nfs/dbraw/zinc/22/83/57/181228357.db2.gz DNSCUHXZXOAXQB-UHFFFAOYSA-N 0 0 300.789 4.994 10 0 DJAERN CCCC[C@H](c1nc2ccccc2s1)n1nnc2ccccc21 ZINC000005310118 181228560 /nfs/dbraw/zinc/22/85/60/181228560.db2.gz PELANUNUIMKZFL-MRXNPFEDSA-N 0 0 322.437 4.821 10 0 DJAERN O=c1cc(-c2ccccc2)cc(-c2ccccc2)n1-c1ccccn1 ZINC000005332075 181230379 /nfs/dbraw/zinc/23/03/79/181230379.db2.gz GJCCSLWSOBMUTC-UHFFFAOYSA-N 0 0 324.383 4.567 10 0 DJAERN C[C@H](NC(=O)c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000005443944 181243872 /nfs/dbraw/zinc/24/38/72/181243872.db2.gz LESQWOZPMJBVTO-UHSVVUDUSA-N 0 0 317.860 4.675 10 0 DJAERN O=C1C[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000005488175 181249027 /nfs/dbraw/zinc/24/90/27/181249027.db2.gz RETUFDGISIPSFZ-RBBKRZOGSA-N 0 0 313.400 4.948 10 0 DJAERN O=C(c1ccccc1)[C@@H](Cc1ccccc1O)c1ccccc1 ZINC000005489311 181249400 /nfs/dbraw/zinc/24/94/00/181249400.db2.gz XNUAQSKVHBJCGD-IBGZPJMESA-N 0 0 302.373 4.601 10 0 DJAERN NC(=S)c1ccc(COc2ccc(-c3ccccc3)cc2)cc1 ZINC000005592575 181261846 /nfs/dbraw/zinc/26/18/46/181261846.db2.gz UFUVZZGYISQHPN-UHFFFAOYSA-N 0 0 319.429 4.567 10 0 DJAERN CCCCCOc1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000005645858 181267805 /nfs/dbraw/zinc/26/78/05/181267805.db2.gz JSWAJMKXYZFSSV-UHFFFAOYSA-N 0 0 301.361 4.647 10 0 DJAERN O=C(COc1ccccc1)N(C1CCCCC1)C1CCCCC1 ZINC000005684197 181271937 /nfs/dbraw/zinc/27/19/37/181271937.db2.gz WNZDULHNCNGTMZ-UHFFFAOYSA-N 0 0 315.457 4.559 10 0 DJAERN CC(C)c1ccccc1NC(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000191280888 334986814 /nfs/dbraw/zinc/98/68/14/334986814.db2.gz CQWFINODEKUKOL-GOSISDBHSA-N 0 0 324.424 4.715 10 0 DJAERN Cc1ccc(/C=C\C(=O)Nc2ccc(Nc3ccccc3)cc2)o1 ZINC000005932045 181296998 /nfs/dbraw/zinc/29/69/98/181296998.db2.gz FWCXISXTMGEDLV-YPKPFQOOSA-N 0 0 318.376 4.984 10 0 DJAERN Cc1cccc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)n1 ZINC000005932120 181297194 /nfs/dbraw/zinc/29/71/94/181297194.db2.gz NOWPOURACYVDGY-CYVLTUHYSA-N 0 0 314.388 4.569 10 0 DJAERN Cc1cccc(NC(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000006034793 181306810 /nfs/dbraw/zinc/30/68/10/181306810.db2.gz QSHXFELJMVMKBQ-UHFFFAOYSA-N 0 0 309.394 4.763 10 0 DJAERN CC[C@@H](C)c1ccccc1NC(=O)COc1c(C)cccc1C ZINC000006308086 181328711 /nfs/dbraw/zinc/32/87/11/181328711.db2.gz WSUWKJHYZAQHOZ-CQSZACIVSA-N 0 0 311.425 4.834 10 0 DJAERN CCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccccc1 ZINC000006398074 181337346 /nfs/dbraw/zinc/33/73/46/181337346.db2.gz PWYCGYJFXGHXLE-UHFFFAOYSA-N 0 0 322.433 4.933 10 0 DJAERN O=C(/C(=C/c1ccccc1)c1ccccc1)n1cnc2ccccc21 ZINC000006594285 181359279 /nfs/dbraw/zinc/35/92/79/181359279.db2.gz IKYRSCZVGPMKFN-XDJHFCHBSA-N 0 0 324.383 4.917 10 0 DJAERN Cc1c2cc(C)c(C)cc2oc1C(=O)N(C)Cc1ccccc1 ZINC000006826268 181395845 /nfs/dbraw/zinc/39/58/45/181395845.db2.gz IAXUDDDQAJEWSH-UHFFFAOYSA-N 0 0 307.393 4.630 10 0 DJAERN CCCCOc1ccc(NC(=O)c2ccc(OCC)cc2)cc1 ZINC000007649654 181482653 /nfs/dbraw/zinc/48/26/53/181482653.db2.gz JJACWJXXCMLYNB-UHFFFAOYSA-N 0 0 313.397 4.517 10 0 DJAERN CC[C@H](C)N1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1 ZINC000007885465 181504898 /nfs/dbraw/zinc/50/48/98/181504898.db2.gz SGHHNCYEQIIHSE-YVEFUNNKSA-N 0 0 314.816 4.705 10 0 DJAERN Cc1ccc(NC(=O)[C@H](C)Oc2c(C)cccc2C)cc1Cl ZINC000008163090 181531443 /nfs/dbraw/zinc/53/14/43/181531443.db2.gz KYKWNKZOGYDEEX-AWEZNQCLSA-N 0 0 317.816 4.671 10 0 DJAERN CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000014039762 181922418 /nfs/dbraw/zinc/92/24/18/181922418.db2.gz SLBGZBZZFFNLLT-ZDUSSCGKSA-N 0 0 317.816 4.617 10 0 DJAERN CCOc1ccccc1/C=C/C(=O)Nc1ccccc1C(C)C ZINC000014909636 181975836 /nfs/dbraw/zinc/97/58/36/181975836.db2.gz XCPSAZFCSBJNFI-BUHFOSPRSA-N 0 0 309.409 4.861 10 0 DJAERN CSc1ccccc1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000016017968 182029267 /nfs/dbraw/zinc/02/92/67/182029267.db2.gz MSZNAMYONNNOMH-NSHDSACASA-N 0 0 305.830 4.553 10 0 DJAERN O=C(CCNc1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 ZINC000016400696 182044271 /nfs/dbraw/zinc/04/42/71/182044271.db2.gz GWQXFFOYESBLBI-UHFFFAOYSA-N 0 0 312.171 4.817 10 0 DJAERN C[C@H](NC(=O)Cc1cccc2ccccc21)c1cccc(Cl)c1 ZINC000017908510 182087557 /nfs/dbraw/zinc/08/75/57/182087557.db2.gz ZZOHYVAPJRKCKJ-AWEZNQCLSA-N 0 0 323.823 4.913 10 0 DJAERN Cc1noc(C)c1CNc1ccc(Cl)cc1C(F)(F)F ZINC000019230726 182109527 /nfs/dbraw/zinc/10/95/27/182109527.db2.gz RLAKNIMMALCHLV-UHFFFAOYSA-N 0 0 304.699 4.576 10 0 DJAERN Cc1ccccc1-c1nc2ccc(NC(=O)C(C)(C)C)cc2o1 ZINC000019815653 182153655 /nfs/dbraw/zinc/15/36/55/182153655.db2.gz VDGSKWRFYKRELF-UHFFFAOYSA-N 0 0 308.381 4.788 10 0 DJAERN Cc1ccc(N[C@H](C)c2ccc(O)cc2)c(Br)c1 ZINC000019901596 182162580 /nfs/dbraw/zinc/16/25/80/182162580.db2.gz MBMFRYHMQPUVCC-LLVKDONJSA-N 0 0 306.203 4.636 10 0 DJAERN COc1cccc([C@H](C)Nc2ccc(C)cc2Br)c1 ZINC000019901634 182162628 /nfs/dbraw/zinc/16/26/28/182162628.db2.gz QNBSUGUYEOUGSB-LBPRGKRZSA-N 0 0 320.230 4.939 10 0 DJAERN COc1ccccc1[C@@H](C)Nc1ccc(Br)c(C)c1 ZINC000019908098 182162985 /nfs/dbraw/zinc/16/29/85/182162985.db2.gz AOUMMKHVRKNFQB-GFCCVEGCSA-N 0 0 320.230 4.939 10 0 DJAERN C[C@H](Nc1cc(F)ccc1F)c1ccccc1Br ZINC000019907836 182163219 /nfs/dbraw/zinc/16/32/19/182163219.db2.gz JTOHJTVTBGTGMU-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN C[C@@H](Nc1ccccc1Br)c1ccc(F)c(F)c1 ZINC000019922795 182164381 /nfs/dbraw/zinc/16/43/81/182164381.db2.gz ISVDMODBUIXNFU-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN COc1ccc(C)cc1[C@@H](C)Nc1ccccc1Br ZINC000019922836 182164435 /nfs/dbraw/zinc/16/44/35/182164435.db2.gz AHAZIJCVGPPCBN-GFCCVEGCSA-N 0 0 320.230 4.939 10 0 DJAERN COc1ccc(C)cc1[C@@H](C)Nc1ccc(Br)cc1 ZINC000019923233 182164974 /nfs/dbraw/zinc/16/49/74/182164974.db2.gz YGQPQXREGYTVPP-GFCCVEGCSA-N 0 0 320.230 4.939 10 0 DJAERN Cc1cc2c(ncnc2Nc2ccccc2Br)s1 ZINC000019948547 182169477 /nfs/dbraw/zinc/16/94/77/182169477.db2.gz JFLAQSBCUNDWJK-UHFFFAOYSA-N 0 0 320.215 4.506 10 0 DJAERN Cc1cc2c(ncnc2Nc2cccc(Br)c2)s1 ZINC000019948551 182169527 /nfs/dbraw/zinc/16/95/27/182169527.db2.gz QYHHDALTKDRZHU-UHFFFAOYSA-N 0 0 320.215 4.506 10 0 DJAERN COc1cc(OC)c(N[C@@H](C)c2ccc(C)cc2)cc1Cl ZINC000019986389 182173737 /nfs/dbraw/zinc/17/37/37/182173737.db2.gz RQZKHERCMSPCRR-LBPRGKRZSA-N 0 0 305.805 4.839 10 0 DJAERN COc1cc([C@@H](C)Nc2cc(Cl)cc(Cl)c2)ccc1O ZINC000019988901 182174427 /nfs/dbraw/zinc/17/44/27/182174427.db2.gz KCWFVIIYQDLRLG-SECBINFHSA-N 0 0 312.196 4.881 10 0 DJAERN CC[C@H](Nc1cccc(Br)c1)c1ccc(O)cc1 ZINC000019941795 182168026 /nfs/dbraw/zinc/16/80/26/182168026.db2.gz FAFKQSZAEOQDPF-HNNXBMFYSA-N 0 0 306.203 4.718 10 0 DJAERN C[C@@H](Nc1cccc(Br)c1)c1cc(F)ccc1F ZINC000019941849 182168224 /nfs/dbraw/zinc/16/82/24/182168224.db2.gz ACEMLQNVTDMFAR-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN CSc1ccc(CNc2cccc(Br)c2)cc1 ZINC000020090373 182185942 /nfs/dbraw/zinc/18/59/42/182185942.db2.gz CNPACBNPLDODND-UHFFFAOYSA-N 0 0 308.244 4.783 10 0 DJAERN Cc1nc([C@@H](C)Nc2ccccc2Br)c(C)s1 ZINC000020090264 182186258 /nfs/dbraw/zinc/18/62/58/182186258.db2.gz CBCDGBJAPARFRS-MRVPVSSYSA-N 0 0 311.248 4.696 10 0 DJAERN CC(=O)c1ccccc1Oc1ccc(C)cc1Br ZINC000020077936 182185202 /nfs/dbraw/zinc/18/52/02/182185202.db2.gz PGOHKALPOAKTDF-UHFFFAOYSA-N 0 0 305.171 4.752 10 0 DJAERN CC(C)c1cccc(NCC(=O)Nc2cccc(Cl)c2)c1 ZINC000020302982 182204457 /nfs/dbraw/zinc/20/44/57/182204457.db2.gz TTWGASJJHFJFIZ-UHFFFAOYSA-N 0 0 302.805 4.514 10 0 DJAERN Nc1nc(-c2ccc(OCc3cccc(Cl)c3)cc2)cs1 ZINC000020329778 182208326 /nfs/dbraw/zinc/20/83/26/182208326.db2.gz NTZCDSATAQLLRD-UHFFFAOYSA-N 0 0 316.813 4.625 10 0 DJAERN Cc1ccc(F)c(NCc2ccc(F)c(Br)c2)c1 ZINC000020471637 182221793 /nfs/dbraw/zinc/22/17/93/182221793.db2.gz FTAUZYQSBDKNMH-UHFFFAOYSA-N 0 0 312.157 4.648 10 0 DJAERN Cc1cc(CNc2ccc(Br)cc2C)cc(C)c1O ZINC000020424161 182215606 /nfs/dbraw/zinc/21/56/06/182215606.db2.gz ULVINOPFICSRDP-UHFFFAOYSA-N 0 0 320.230 4.692 10 0 DJAERN C[C@@H]1C[C@H]1c1ccc(CNc2ccc(F)cc2Br)o1 ZINC000020430570 182216641 /nfs/dbraw/zinc/21/66/41/182216641.db2.gz QBOVSKGXLFBVTN-BXKDBHETSA-N 0 0 324.193 4.917 10 0 DJAERN Cc1cc([C@@H](C)Nc2ccc(Br)cc2F)c(C)o1 ZINC000020437804 182217888 /nfs/dbraw/zinc/21/78/88/182217888.db2.gz YUWKCAYBDWYRQJ-SECBINFHSA-N 0 0 312.182 4.971 10 0 DJAERN CCCOc1c(Cl)cc(Cl)cc1CNCc1ccco1 ZINC000020930289 182254494 /nfs/dbraw/zinc/25/44/94/182254494.db2.gz WAVULPCHDWBPIE-UHFFFAOYSA-N 0 0 314.212 4.665 10 0 DJAERN CC[C@H](C)C(=O)Nc1cccc(-c2nc3cc(C)ccc3[nH]2)c1 ZINC000021024091 182261372 /nfs/dbraw/zinc/26/13/72/182261372.db2.gz HOFNQVHOXLSTKY-ZDUSSCGKSA-N 0 0 307.397 4.523 10 0 DJAERN COc1ccc(-c2cccc(OCc3ccccc3)n2)c(C)c1 ZINC000021987999 182302151 /nfs/dbraw/zinc/30/21/51/182302151.db2.gz VPZJQYJSTMKZMR-UHFFFAOYSA-N 0 0 305.377 4.645 10 0 DJAERN C[C@@H](NC(=O)CCc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000023975962 182370606 /nfs/dbraw/zinc/37/06/06/182370606.db2.gz STHBNPPZQGWBGR-GFCCVEGCSA-N 0 0 322.235 4.803 10 0 DJAERN OCC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccccc1 ZINC000026727196 182451215 /nfs/dbraw/zinc/45/12/15/182451215.db2.gz JRAPAWFDOQVLLC-DQRAZIAOSA-N 0 0 316.400 4.734 10 0 DJAERN O=C(CSCc1ccccc1)c1ccc(Br)cc1 ZINC000027828213 182492902 /nfs/dbraw/zinc/49/29/02/182492902.db2.gz FEZWFPZMWMYFSW-UHFFFAOYSA-N 0 0 321.239 4.565 10 0 DJAERN CC(C)Oc1cnccc1-c1nc2cc(C(C)(C)C)ccc2o1 ZINC000098177993 193791408 /nfs/dbraw/zinc/79/14/08/193791408.db2.gz AGGPJWNXVJBEEY-UHFFFAOYSA-N 0 0 310.397 4.975 10 0 DJAERN Clc1ccc(-c2cccc(I)c2)cc1 ZINC000100041269 193793810 /nfs/dbraw/zinc/79/38/10/193793810.db2.gz RUZWWEXZLYUZDU-UHFFFAOYSA-N 0 0 314.553 4.612 10 0 DJAERN Cc1cc2nc(-c3ccc(Cl)cc3)cn2cc1Br ZINC000032647095 182652662 /nfs/dbraw/zinc/65/26/62/182652662.db2.gz ZHSHFDBMXHPKSA-UHFFFAOYSA-N 0 0 321.605 4.726 10 0 DJAERN Cc1ccc(S[C@@H](C)C(=O)c2ccc(F)cc2F)cc1C ZINC000035046985 182748586 /nfs/dbraw/zinc/74/85/86/182748586.db2.gz AMFYDHQOZIXQGW-LBPRGKRZSA-N 0 0 306.377 4.945 10 0 DJAERN COc1cc(C)ccc1[C@H](C)Nc1cccc(Br)c1 ZINC000037203837 182872042 /nfs/dbraw/zinc/87/20/42/182872042.db2.gz OHRYMMJLRXDOAE-LBPRGKRZSA-N 0 0 320.230 4.939 10 0 DJAERN C[C@H](Nc1ccc(Br)cc1Cl)c1ccncc1 ZINC000037392293 182886288 /nfs/dbraw/zinc/88/62/88/182886288.db2.gz HCBVLHZVBFDKCZ-VIFPVBQESA-N 0 0 311.610 4.671 10 0 DJAERN Cc1ccc(SCc2ccc(N)cc2Br)cc1C ZINC000037516228 182902779 /nfs/dbraw/zinc/90/27/79/182902779.db2.gz GIGLRQVDKZOYGX-UHFFFAOYSA-N 0 0 322.271 4.940 10 0 DJAERN CCOC(=O)Nc1ccc(OC23CC4CC(CC(C4)C2)C3)cc1 ZINC000039239927 183015537 /nfs/dbraw/zinc/01/55/37/183015537.db2.gz HNIJSWMMQUVGTR-UHFFFAOYSA-N 0 0 315.413 4.603 10 0 DJAERN Cc1cc(C)c2nc(C)cc(NC(=O)c3ccccc3C)c2c1 ZINC000040177091 183044081 /nfs/dbraw/zinc/04/40/81/183044081.db2.gz BHUJKJNVHUPORZ-UHFFFAOYSA-N 0 0 304.393 4.721 10 0 DJAERN Cc1ccc(Oc2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC000040179061 183045004 /nfs/dbraw/zinc/04/50/04/183045004.db2.gz XJLATCOVZSRIIF-UHFFFAOYSA-N 0 0 317.388 4.717 10 0 DJAERN Cc1cc2ncn(CCOc3ccc(C(C)C)cc3)c2cc1C ZINC000040224058 183047181 /nfs/dbraw/zinc/04/71/81/183047181.db2.gz LZONPQIPRBPNPM-UHFFFAOYSA-N 0 0 308.425 4.856 10 0 DJAERN Cc1ccc(C)c(OCCn2c3ccccc3nc2C(C)C)c1 ZINC000040231240 183047889 /nfs/dbraw/zinc/04/78/89/183047889.db2.gz CGJIWWLZFLYLTD-UHFFFAOYSA-N 0 0 308.425 4.856 10 0 DJAERN Cc1nc(C(=O)Nc2c(C)cccc2C)c(-c2ccccc2)s1 ZINC000040326347 183053896 /nfs/dbraw/zinc/05/38/96/183053896.db2.gz ZAENELHPJRPGOV-UHFFFAOYSA-N 0 0 322.433 4.988 10 0 DJAERN Cc1ccc(O[C@@H](C)C(=O)c2ccc(Cl)c(Cl)c2)c(N)c1 ZINC000040354688 183056040 /nfs/dbraw/zinc/05/60/40/183056040.db2.gz XTZPPZBQHZETSK-JTQLQIEISA-N 0 0 324.207 4.534 10 0 DJAERN Cc1cccc(C(=O)Nc2ccnc3c(C)c(Cl)ccc23)c1 ZINC000040359229 183056055 /nfs/dbraw/zinc/05/60/55/183056055.db2.gz YCWZJZSKOIMGTJ-UHFFFAOYSA-N 0 0 310.784 4.757 10 0 DJAERN Cc1occc1C(=O)Nc1cc(C)nc2c(C)c(Cl)ccc12 ZINC000040359602 183057193 /nfs/dbraw/zinc/05/71/93/183057193.db2.gz OXYLXVFGZKGCGS-UHFFFAOYSA-N 0 0 314.772 4.659 10 0 DJAERN Cn1c2ccc(C(F)(F)F)cc2nc1Cc1ccc(Cl)cc1 ZINC000040410285 183063020 /nfs/dbraw/zinc/06/30/20/183063020.db2.gz LYFXBXNMMZXOCF-UHFFFAOYSA-N 0 0 324.733 4.836 10 0 DJAERN CCCn1c(COc2ccccc2)nc2cc(Cl)ccc21 ZINC000040417551 183063641 /nfs/dbraw/zinc/06/36/41/183063641.db2.gz XEMOIGULXLEVIE-UHFFFAOYSA-N 0 0 300.789 4.679 10 0 DJAERN CCn1c(COc2cccc(C)c2C)nc2ccc(Cl)cc21 ZINC000040417236 183063671 /nfs/dbraw/zinc/06/36/71/183063671.db2.gz SCUXDWJCANFCII-UHFFFAOYSA-N 0 0 314.816 4.905 10 0 DJAERN Cn1c2cc(Cl)ccc2nc1Cc1cccc2ccccc21 ZINC000040417051 183063689 /nfs/dbraw/zinc/06/36/89/183063689.db2.gz MADKVNRLHZUAAN-UHFFFAOYSA-N 0 0 306.796 4.971 10 0 DJAERN Cc1ccc(Oc2ncnc(Nc3ccc(C)cc3C)c2N)cc1 ZINC000040755491 183129717 /nfs/dbraw/zinc/12/97/17/183129717.db2.gz LEJVBPVMWOPDDL-UHFFFAOYSA-N 0 0 320.396 4.520 10 0 DJAERN CCCCC(=O)NC(=S)N(C1CCCCC1)C1CCCCC1 ZINC000040898041 183147323 /nfs/dbraw/zinc/14/73/23/183147323.db2.gz IBJVGOSXRYCFEH-UHFFFAOYSA-N 0 0 324.534 4.545 10 0 DJAERN Clc1ccc(-c2cn3nc(C4CC4)sc3n2)c(Cl)c1 ZINC000040963985 183151978 /nfs/dbraw/zinc/15/19/78/183151978.db2.gz CHVDWLXFICJCFI-UHFFFAOYSA-N 0 0 310.209 4.642 10 0 DJAERN CCCc1nn2cc(-c3ccc(Cl)c(Cl)c3)nc2s1 ZINC000040963643 183152177 /nfs/dbraw/zinc/15/21/77/183152177.db2.gz WTIVAOUQXXSFJJ-UHFFFAOYSA-N 0 0 312.225 4.717 10 0 DJAERN CCOc1ccc(-c2cn3c(n2)sc2cccc(C)c23)cc1 ZINC000040964474 183152454 /nfs/dbraw/zinc/15/24/54/183152454.db2.gz YHWSOGRXWJFPIW-UHFFFAOYSA-N 0 0 308.406 4.923 10 0 DJAERN CC(=O)c1sc(Cc2ccc(Cl)cc2Cl)nc1C ZINC000040993750 183155419 /nfs/dbraw/zinc/15/54/19/183155419.db2.gz XZOOHQJSMBMNIW-UHFFFAOYSA-N 0 0 300.210 4.552 10 0 DJAERN COc1cc(Nc2ccnc3cc(Cl)ccc32)cc(OC)c1 ZINC000041055114 183159648 /nfs/dbraw/zinc/15/96/48/183159648.db2.gz JUMPMBIEWRMGTD-UHFFFAOYSA-N 0 0 314.772 4.649 10 0 DJAERN Cc1ccc2nccc(NC(=O)/C=C/c3ccccc3Cl)c2c1 ZINC000041057355 183160369 /nfs/dbraw/zinc/16/03/69/183160369.db2.gz ZBEFFXLKWYBBKD-VQHVLOKHSA-N 0 0 322.795 4.849 10 0 DJAERN Cc1ccc(OC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 ZINC000040869134 183145551 /nfs/dbraw/zinc/14/55/51/183145551.db2.gz GBBNNGMMWJQGHJ-MDZDMXLPSA-N 0 0 307.176 4.921 10 0 DJAERN CC(C)c1ccc(C[C@@H](CO)Cc2ccc(Cl)cc2)cc1 ZINC000041516740 183196838 /nfs/dbraw/zinc/19/68/38/183196838.db2.gz KWOIUJFBICUIMR-QGZVFWFLSA-N 0 0 302.845 4.857 10 0 DJAERN CC(C)c1ccc(C[C@@H](CO)Cc2ccccc2Cl)cc1 ZINC000041516731 183196851 /nfs/dbraw/zinc/19/68/51/183196851.db2.gz XBHXVZHIISCQSH-MRXNPFEDSA-N 0 0 302.845 4.857 10 0 DJAERN Cc1ccccc1C[C@H](CO)Cc1ccc(Cl)cc1Cl ZINC000041543066 183201333 /nfs/dbraw/zinc/20/13/33/183201333.db2.gz LFSTYHMWUGWROM-ZDUSSCGKSA-N 0 0 309.236 4.696 10 0 DJAERN OC[C@@H](Cc1ccc(F)cc1)Cc1ccc(Cl)cc1Cl ZINC000041564679 183202815 /nfs/dbraw/zinc/20/28/15/183202815.db2.gz GYGYLXCMEFRHTM-LBPRGKRZSA-N 0 0 313.199 4.526 10 0 DJAERN COC(=O)c1ccc(-c2ccc(C)cc2)c(-c2ccccc2)n1 ZINC000043193786 183343601 /nfs/dbraw/zinc/34/36/01/183343601.db2.gz HHTJSCIRSQCPEX-UHFFFAOYSA-N 0 0 303.361 4.511 10 0 DJAERN Clc1ccc(NCc2sccc2Br)cc1 ZINC000043674696 183378189 /nfs/dbraw/zinc/37/81/89/183378189.db2.gz OVIUUYKMANTVBS-UHFFFAOYSA-N 0 0 302.624 4.776 10 0 DJAERN FC(F)(F)c1cccc(-c2ncc(Br)s2)c1 ZINC000044120459 183394666 /nfs/dbraw/zinc/39/46/66/183394666.db2.gz AFJOUZQMCRFHCZ-UHFFFAOYSA-N 0 0 308.122 4.591 10 0 DJAERN Fc1cc(Nc2nc(Cl)c3c(n2)CCCC3)ccc1Cl ZINC000057343491 184034113 /nfs/dbraw/zinc/03/41/13/184034113.db2.gz VJUFSINGLOYDFD-UHFFFAOYSA-N 0 0 312.175 4.545 10 0 DJAERN Fc1ccc(Cl)c(Nc2nc(Cl)c3c(n2)CCCC3)c1 ZINC000057343474 184034302 /nfs/dbraw/zinc/03/43/02/184034302.db2.gz DCLFAHVRWZZNKJ-UHFFFAOYSA-N 0 0 312.175 4.545 10 0 DJAERN CCCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000059402964 184138696 /nfs/dbraw/zinc/13/86/96/184138696.db2.gz VTCOZMVBTZEIOL-UHFFFAOYSA-N 0 0 314.772 4.887 10 0 DJAERN Oc1cc(NCc2cccs2)ccc1-c1nc2ccccc2o1 ZINC000059720716 184140047 /nfs/dbraw/zinc/14/00/47/184140047.db2.gz REPNSUUYEYZGHN-UHFFFAOYSA-N 0 0 322.389 4.874 10 0 DJAERN CC1(C)N=C(c2cnc3ccccc3c2)c2ccccc2C1(F)F ZINC000059897594 184142240 /nfs/dbraw/zinc/14/22/40/184142240.db2.gz SWTPIYGGSMJRTB-UHFFFAOYSA-N 0 0 322.358 4.956 10 0 DJAERN Cc1[nH]c2c(Cl)cc(Cl)c(Cl)c2c(=O)c1C(C)C ZINC000061688080 184182902 /nfs/dbraw/zinc/18/29/02/184182902.db2.gz NMADBAGLAHNBQP-UHFFFAOYSA-N 0 0 304.604 4.920 10 0 DJAERN O[C@@H](Cc1ccc(Br)s1)c1cc2ccccc2o1 ZINC000062797390 184253728 /nfs/dbraw/zinc/25/37/28/184253728.db2.gz JEOSYJRRNCVWCM-NSHDSACASA-N 0 0 323.211 4.533 10 0 DJAERN CC(C)(C)c1ccc(NC(=O)c2ccco2)c(Br)c1 ZINC000065001112 184307725 /nfs/dbraw/zinc/30/77/25/184307725.db2.gz MQGJVMTUVCSBIS-UHFFFAOYSA-N 0 0 322.202 4.592 10 0 DJAERN CC(C)(C)C(=O)Nc1ccc(C(C)(C)C)cc1Br ZINC000065001108 184307761 /nfs/dbraw/zinc/30/77/61/184307761.db2.gz RKPVOUVHUYFSCV-UHFFFAOYSA-N 0 0 312.251 4.731 10 0 DJAERN COc1ccc(-c2ccc(O)c(Cl)c2)cc1C(F)(F)F ZINC000065343649 184325352 /nfs/dbraw/zinc/32/53/52/184325352.db2.gz PZTXXDIFTXEVMY-UHFFFAOYSA-N 0 0 302.679 4.740 10 0 DJAERN CCOc1ccc(-c2cc(O)cc(Br)c2)c(C)c1 ZINC000065343876 184325613 /nfs/dbraw/zinc/32/56/13/184325613.db2.gz AAVWEDSTFUHROF-UHFFFAOYSA-N 0 0 307.187 4.529 10 0 DJAERN COc1cc(Cl)ccc1-c1cc(O)cc(OC(F)(F)F)c1 ZINC000065344314 184325883 /nfs/dbraw/zinc/32/58/83/184325883.db2.gz ZAIAXLBVSWRSIS-UHFFFAOYSA-N 0 0 318.678 4.620 10 0 DJAERN COc1ccc(Cl)c(-c2cc(O)cc(OC(F)(F)F)c2)c1 ZINC000065344307 184326123 /nfs/dbraw/zinc/32/61/23/184326123.db2.gz RKIXKISMYINJIV-UHFFFAOYSA-N 0 0 318.678 4.620 10 0 DJAERN Fc1cccc(CNc2ccc(Br)cc2Cl)c1 ZINC000037388857 257129807 /nfs/dbraw/zinc/12/98/07/257129807.db2.gz KSWOECDBIBMAMQ-UHFFFAOYSA-N 0 0 314.585 4.854 10 0 DJAERN C[C@@H](Cc1ccc(Sc2ccccc2)cc1)Cn1ccnc1 ZINC000100356239 257232295 /nfs/dbraw/zinc/23/22/95/257232295.db2.gz REKLVIOPVFDASM-INIZCTEOSA-N 0 0 308.450 4.913 10 0 DJAERN C[C@H](NC(=O)Cc1cccc(F)c1)c1ccc(C(C)(C)C)cc1 ZINC000071861953 184873157 /nfs/dbraw/zinc/87/31/57/184873157.db2.gz AMXBWIHUOLPWNY-AWEZNQCLSA-N 0 0 313.416 4.543 10 0 DJAERN Cc1cc(O)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000174129894 332845627 /nfs/dbraw/zinc/84/56/27/332845627.db2.gz TYUPGNYYLNDVER-ROUUACIJSA-N 0 0 309.409 4.566 10 0 DJAERN COCc1ccsc1C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000179877337 331547577 /nfs/dbraw/zinc/54/75/77/331547577.db2.gz WCUNMMJKHUIBMW-CYBMUJFWSA-N 0 0 317.454 4.509 10 0 DJAERN Cc1cnc([C@@H](C)N[C@H](C)c2c(Cl)ccc(F)c2Cl)o1 ZINC000220914155 331623235 /nfs/dbraw/zinc/62/32/35/331623235.db2.gz SLWSLQUBMNZXAO-RKDXNWHRSA-N 0 0 317.191 4.841 10 0 DJAERN C[C@@H](Nc1cc(C(F)(F)F)ccn1)c1ccccc1Cl ZINC000090803195 332034659 /nfs/dbraw/zinc/03/46/59/332034659.db2.gz YRTBCNMXPMPVIG-SECBINFHSA-N 0 0 300.711 4.927 10 0 DJAERN C[C@H](Nc1ccc(OC(F)F)cn1)c1ccc(Cl)s1 ZINC000301943263 332981516 /nfs/dbraw/zinc/98/15/16/332981516.db2.gz YDFZZNQSMBWSPR-ZETCQYMHSA-N 0 0 304.749 4.571 10 0 DJAERN Cc1cnc(CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)s1 ZINC000177961022 332999662 /nfs/dbraw/zinc/99/96/62/332999662.db2.gz HCLWPMFPBRIKPX-QMMMGPOBSA-N 0 0 319.232 4.748 10 0 DJAERN CC(C)c1nnc(CS[C@@H](C)c2cccc(Cl)c2)n1C ZINC000182351715 333177729 /nfs/dbraw/zinc/17/77/29/333177729.db2.gz HQSBFTFSABPIAT-NSHDSACASA-N 0 0 309.866 4.586 10 0 DJAERN C[C@H](NCc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000048777318 334296457 /nfs/dbraw/zinc/29/64/57/334296457.db2.gz ZWQDYLUEFYKVPV-JTQLQIEISA-N 0 0 320.223 4.721 10 0 DJAERN Cc1ccc([C@@H](C)NC(=O)N(C)[C@H](c2ccccc2)C(C)C)o1 ZINC000112740806 334724362 /nfs/dbraw/zinc/72/43/62/334724362.db2.gz AIIRZQVIYAIQCT-QAPCUYQASA-N 0 0 314.429 4.688 10 0 DJAERN CC1(C)CCCN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000102919902 335931534 /nfs/dbraw/zinc/93/15/34/335931534.db2.gz OGRRJSFHALIYBW-UHFFFAOYSA-N 0 0 307.437 4.610 10 0 DJAERN Cc1noc(C)c1C(C)(C)c1nc(C2CCC(C)(C)CC2)no1 ZINC000329584825 335997979 /nfs/dbraw/zinc/99/79/79/335997979.db2.gz LZBPTIQJMRLOPV-UHFFFAOYSA-N 0 0 317.433 4.684 10 0 DJAERN Cc1noc(C)c1[C@H](C)Cc1nc(C2C[C@H](C)C[C@@H](C)C2)no1 ZINC000329728821 336071087 /nfs/dbraw/zinc/07/10/87/336071087.db2.gz PBPKQSNGIKGKLM-IJLUTSLNSA-N 0 0 317.433 4.560 10 0 DJAERN Cc1ccc(C)c(C[NH2+][C@H](C)c2ccccc2Br)c1 ZINC000042275036 336238343 /nfs/dbraw/zinc/23/83/43/336238343.db2.gz BUQFOKRHTTZFLF-CQSZACIVSA-N 0 0 318.258 4.917 10 0 DJAERN Fc1ccc(-c2ccc(Oc3ccc4ncccc4c3)nn2)cc1 ZINC000301108700 336290324 /nfs/dbraw/zinc/29/03/24/336290324.db2.gz QVNXQRWFNMANJK-UHFFFAOYSA-N 0 0 317.323 4.623 10 0 DJAERN Cc1nc2ccccc2nc1N[C@H](C)c1csc(C(C)C)n1 ZINC000301553163 336314372 /nfs/dbraw/zinc/31/43/72/336314372.db2.gz GMJWQQSNHZUONX-LLVKDONJSA-N 0 0 312.442 4.691 10 0 DJAERN C[C@H](Nc1c(F)c(F)nc(F)c1F)c1ccc(F)c(Cl)c1 ZINC000301624217 336319019 /nfs/dbraw/zinc/31/90/19/336319019.db2.gz ZHQNGQLJUQXYLT-YFKPBYRVSA-N 0 0 322.664 4.604 10 0 DJAERN Cc1cc(N[C@@H](CCCO)c2ccccc2)c2cc(F)ccc2[nH+]1 ZINC000301668658 336322168 /nfs/dbraw/zinc/32/21/68/336322168.db2.gz MSFJNUDYRJHFQN-SFHVURJKSA-N 0 0 324.399 4.608 10 0 DJAERN Cc1nc(CNc2ccnc3ccc(Cl)cc32)c(C)s1 ZINC000301840137 336333467 /nfs/dbraw/zinc/33/34/67/336333467.db2.gz OQJRBQUDESFSHZ-UHFFFAOYSA-N 0 0 303.818 4.574 10 0 DJAERN COc1ccccc1[C@H](Nc1nc(C2CC2)ns1)C(C)(C)C ZINC000301948004 336339416 /nfs/dbraw/zinc/33/94/16/336339416.db2.gz DLMGTLCEVZPGHI-AWEZNQCLSA-N 0 0 317.458 4.623 10 0 DJAERN C[C@H]1CC(=O)Oc2cc(Oc3nc4ccccc4s3)ccc21 ZINC000302833629 336371371 /nfs/dbraw/zinc/37/13/71/336371371.db2.gz SOFGJVDECYMHKB-JTQLQIEISA-N 0 0 311.362 4.501 10 0 DJAERN Cc1ccc(Oc2nc(C(F)F)nc3ccccc32)cc1F ZINC000302868456 336372614 /nfs/dbraw/zinc/37/26/14/336372614.db2.gz XBNHFAFNSWQKGS-UHFFFAOYSA-N 0 0 304.271 4.807 10 0 DJAERN C[C@H](NCc1ncc(-c2ccc(Cl)cc2)o1)c1cccs1 ZINC000171111421 337086883 /nfs/dbraw/zinc/08/68/83/337086883.db2.gz NBSQUKLHUZGLRQ-NSHDSACASA-N 0 0 318.829 4.907 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cccc(C(F)F)c2)o1 ZINC000172666862 337129406 /nfs/dbraw/zinc/12/94/06/337129406.db2.gz RJBALHAYCDDVSU-OAHLLOKOSA-N 0 0 319.351 4.893 10 0 DJAERN CCC1(C(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)CCC1 ZINC000176178492 337149564 /nfs/dbraw/zinc/14/95/64/337149564.db2.gz WVMJJESVIPOLSN-CQSZACIVSA-N 0 0 320.502 4.553 10 0 DJAERN CCCc1ccc(N[C@H](C)c2nnc(-c3ccccc3)o2)cc1 ZINC000176674507 337152716 /nfs/dbraw/zinc/15/27/16/337152716.db2.gz ZNVDQFFUJUCCIP-CQSZACIVSA-N 0 0 307.397 4.862 10 0 DJAERN Fc1ccc2c(c1)[C@H](N[C@@H](c1ccco1)c1ccccc1)CCO2 ZINC000178430903 337164745 /nfs/dbraw/zinc/16/47/45/337164745.db2.gz LJFLBXSSZFBKQE-YLJYHZDGSA-N 0 0 323.367 4.622 10 0 DJAERN COc1ccc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)cc1 ZINC000178612879 337165488 /nfs/dbraw/zinc/16/54/88/337165488.db2.gz KDVHNJAOWBRQMC-IIBYNOLFSA-N 0 0 318.420 4.530 10 0 DJAERN c1ccc([C@H]([NH2+][C@@H]2CCCc3ccccc32)c2cccnc2)cc1 ZINC000178612798 337165519 /nfs/dbraw/zinc/16/55/19/337165519.db2.gz UIBDAHIQKFRILK-YADHBBJMSA-N 0 0 314.432 4.838 10 0 DJAERN CCc1ccc([C@H](C)N[C@H](c2ccccc2)c2cccnc2)o1 ZINC000178615111 337165592 /nfs/dbraw/zinc/16/55/92/337165592.db2.gz GDLFCHZUPYTEBI-MGPUTAFESA-N 0 0 306.409 4.677 10 0 DJAERN Cc1coc(-c2ccc(C)c(N[C@@H](C)c3cnn(C(C)C)c3)c2)n1 ZINC000180036475 337173204 /nfs/dbraw/zinc/17/32/04/337173204.db2.gz PUOHQQDZORJBNP-HNNXBMFYSA-N 0 0 324.428 4.909 10 0 DJAERN Cc1csc([C@@H]2CCCN(C(=O)C3(C)CCCCCC3)C2)n1 ZINC000180879181 337178291 /nfs/dbraw/zinc/17/82/91/337178291.db2.gz YLXUNWGZTJICSX-OAHLLOKOSA-N 0 0 320.502 4.518 10 0 DJAERN C[C@H](NCc1ncc(-c2ccccc2Cl)o1)c1cccs1 ZINC000182557475 337188858 /nfs/dbraw/zinc/18/88/58/337188858.db2.gz MBTMGDPZVJOJQY-NSHDSACASA-N 0 0 318.829 4.907 10 0 DJAERN Cc1nc2c(s1)[C@@H](Nc1cccc(-c3cnco3)c1)CCC2 ZINC000182834008 337190324 /nfs/dbraw/zinc/19/03/24/337190324.db2.gz CZNUJPKPSAREJG-HNNXBMFYSA-N 0 0 311.410 4.596 10 0 DJAERN CC[C@@H](N[C@H](C)c1nnc(-c2ccccc2)o1)c1cccs1 ZINC000184034160 337194640 /nfs/dbraw/zinc/19/46/40/337194640.db2.gz BMMWSOMISNEPAD-TZMCWYRMSA-N 0 0 313.426 4.600 10 0 DJAERN CC[C@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1cccs1 ZINC000184034101 337194642 /nfs/dbraw/zinc/19/46/42/337194642.db2.gz BMMWSOMISNEPAD-JSGCOSHPSA-N 0 0 313.426 4.600 10 0 DJAERN CC(C)c1cnc(CN[C@@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000183914521 337195563 /nfs/dbraw/zinc/19/55/63/337195563.db2.gz ZHNHZXDDORDZMZ-CQSZACIVSA-N 0 0 316.470 4.659 10 0 DJAERN CCC1(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)CCCCC1 ZINC000184119789 337196348 /nfs/dbraw/zinc/19/63/48/337196348.db2.gz RADCQROOWWRCMV-OAHLLOKOSA-N 0 0 320.502 4.518 10 0 DJAERN C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1cccc(Cl)c1 ZINC000185823926 337250519 /nfs/dbraw/zinc/25/05/19/337250519.db2.gz ZILGLJSPIACETE-CQSZACIVSA-N 0 0 323.827 4.648 10 0 DJAERN CCC[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccccc1 ZINC000186050098 337253059 /nfs/dbraw/zinc/25/30/59/337253059.db2.gz IOFGVGCBCHMRJM-FQEVSTJZSA-N 0 0 317.436 4.775 10 0 DJAERN CC[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccccc1F ZINC000186060856 337253224 /nfs/dbraw/zinc/25/32/24/337253224.db2.gz ZPRGSLOMKYFWQK-LJQANCHMSA-N 0 0 321.399 4.524 10 0 DJAERN Cc1ccc([C@H](C)NCc2ncc(-c3ccccc3)cn2)c(C)c1 ZINC000186058746 337253274 /nfs/dbraw/zinc/25/32/74/337253274.db2.gz BWAWJKBIUDDLMV-KRWDZBQOSA-N 0 0 317.436 4.611 10 0 DJAERN COc1ccsc1[C@@H](C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000186150453 337254014 /nfs/dbraw/zinc/25/40/14/337254014.db2.gz UKTPUQYZASAPGH-KDOFPFPSSA-N 0 0 324.449 4.592 10 0 DJAERN CCC[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1 ZINC000186529385 337257337 /nfs/dbraw/zinc/25/73/37/337257337.db2.gz UMEZYHKSXTXMJB-KRWDZBQOSA-N 0 0 309.413 4.617 10 0 DJAERN C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1csc(Cl)c1 ZINC000191477417 337297272 /nfs/dbraw/zinc/29/72/72/337297272.db2.gz KUKOLUBAYIOUPX-JTQLQIEISA-N 0 0 320.845 4.849 10 0 DJAERN CCC/C=C/[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)OCC ZINC000584602811 337371137 /nfs/dbraw/zinc/37/11/37/337371137.db2.gz BMLAZQXDIIUXNP-MXDRFRHJSA-N 0 0 308.462 4.842 10 0 DJAERN O[C@@H](c1ccc(-c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000584612653 337372374 /nfs/dbraw/zinc/37/23/74/337372374.db2.gz VFKNUDOEWJPFCP-ZDUSSCGKSA-N 0 0 301.600 4.757 10 0 DJAERN O[C@@H]1C[C@H](c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc21 ZINC000584617996 337373087 /nfs/dbraw/zinc/37/30/87/337373087.db2.gz APYIQCPPTFSGAX-UKRRQHHQSA-N 0 0 312.718 4.928 10 0 DJAERN O=C(Nc1ccccc1)c1cccc(C(Cl)(Cl)Cl)c1 ZINC000584592760 337373561 /nfs/dbraw/zinc/37/35/61/337373561.db2.gz OURFUTARGICAOO-UHFFFAOYSA-N 0 0 314.599 4.766 10 0 DJAERN CCOC(=O)C[C@H](c1ccc(C(C)=O)cc1)C1CCCCC1 ZINC000584596329 337374237 /nfs/dbraw/zinc/37/42/37/337374237.db2.gz RJGHVOOBNJSXTJ-SFHVURJKSA-N 0 0 302.414 4.506 10 0 DJAERN Fc1ccc(Oc2nccc3ccnc(Cl)c32)c(Cl)c1 ZINC000584624223 337375361 /nfs/dbraw/zinc/37/53/61/337375361.db2.gz IZYNJSMCTHOTAS-UHFFFAOYSA-N 0 0 309.127 4.868 10 0 DJAERN C[C@](O)(c1ccccc1)[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000584629698 337376584 /nfs/dbraw/zinc/37/65/84/337376584.db2.gz OSQAEPGZMLGOIR-PMACEKPBSA-N 0 0 323.823 4.775 10 0 DJAERN CC(C)COc1ccc2c3ccc([C@@H](C)O)c(F)c3oc2c1F ZINC000584632028 337377130 /nfs/dbraw/zinc/37/71/30/337377130.db2.gz FUIDPOBIIKNMIK-SNVBAGLBSA-N 0 0 320.335 4.952 10 0 DJAERN CCC[C@@H](O)c1ccc2c3ccc(OC)c(F)c3oc2c1F ZINC000584632107 337377181 /nfs/dbraw/zinc/37/71/81/337377181.db2.gz HNLJECJJKNSIJO-GFCCVEGCSA-N 0 0 306.308 4.706 10 0 DJAERN Cc1cc(=O)n(-c2ccc(Cl)cc2)cc1-c1ccc(F)cc1 ZINC000584653969 337377793 /nfs/dbraw/zinc/37/77/93/337377793.db2.gz YJOCQUUBRUAYDU-UHFFFAOYSA-N 0 0 313.759 4.605 10 0 DJAERN Cc1ccc([C@H]2Nc3ccccc3[C@@H](c3ccccc3)N2)s1 ZINC000584656646 337378082 /nfs/dbraw/zinc/37/80/82/337378082.db2.gz XNLLGKYAUMHNJT-MOPGFXCFSA-N 0 0 306.434 4.860 10 0 DJAERN Cc1ccc([C@@H]2Nc3ccccc3[C@@H](c3ccccc3)N2)s1 ZINC000584656650 337378109 /nfs/dbraw/zinc/37/81/09/337378109.db2.gz XNLLGKYAUMHNJT-RTBURBONSA-N 0 0 306.434 4.860 10 0 DJAERN CCOC(=O)c1cc(-c2ccccc2)c2cc(F)ccc2c1O ZINC000584661101 337378245 /nfs/dbraw/zinc/37/82/45/337378245.db2.gz LPAIRKBDEUZVLI-UHFFFAOYSA-N 0 0 310.324 4.528 10 0 DJAERN Clc1ccc(-c2ccccc2)c(I)c1 ZINC000584660685 337378288 /nfs/dbraw/zinc/37/82/88/337378288.db2.gz CDQOJXHQRANHLV-UHFFFAOYSA-N 0 0 314.553 4.612 10 0 DJAERN Cc1ccc([C@](O)(Cc2ccc(Cl)cc2)c2ccncc2)cc1 ZINC000584637357 337379423 /nfs/dbraw/zinc/37/94/23/337379423.db2.gz ROWIELBHUPVGDV-HXUWFJFHSA-N 0 0 323.823 4.522 10 0 DJAERN Cc1ccccc1-c1cnc2nc(-c3cccnc3)sc2c1 ZINC000584648291 337380448 /nfs/dbraw/zinc/38/04/48/337380448.db2.gz FZOLQMPWLQWXQS-UHFFFAOYSA-N 0 0 303.390 4.729 10 0 DJAERN O=C(Nc1cccc(C(F)F)c1)N1CCC[C@@H]1c1ccco1 ZINC000116495923 337392756 /nfs/dbraw/zinc/39/27/56/337392756.db2.gz QXRWKGLIIZXATG-CYBMUJFWSA-N 0 0 306.312 4.586 10 0 DJAERN CCCC[C@H](CC)CC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000117252041 337393231 /nfs/dbraw/zinc/39/32/31/337393231.db2.gz BAJYZORVZGMMDE-LSDHHAIUSA-N 0 0 308.491 4.803 10 0 DJAERN Cc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCOc2ccccc21 ZINC000043281664 337410524 /nfs/dbraw/zinc/41/05/24/337410524.db2.gz VQEKTWZLVUDMBV-QGZVFWFLSA-N 0 0 324.424 4.764 10 0 DJAERN C[C@@H]1C[C@@H](C(=O)N2CCCC[C@H]2c2nccs2)CC(C)(C)C1 ZINC000248569247 337564739 /nfs/dbraw/zinc/56/47/39/337564739.db2.gz OAJMZUFOCMETIW-KFWWJZLASA-N 0 0 320.502 4.659 10 0 DJAERN C[C@@H](N[C@H](C)c1c(Cl)ccc(F)c1Cl)c1cccnc1 ZINC000035790823 337745605 /nfs/dbraw/zinc/74/56/05/337745605.db2.gz CFDSEEFULGAEPR-NXEZZACHSA-N 0 0 313.203 4.939 10 0 DJAERN CSc1ccccc1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000055743841 337849168 /nfs/dbraw/zinc/84/91/68/337849168.db2.gz ZEWSDQODRSCMDS-JTQLQIEISA-N 0 0 323.820 4.692 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H](C)c2cccs2)o1 ZINC000173421256 340364736 /nfs/dbraw/zinc/36/47/36/340364736.db2.gz HYFQVSFWACYSNJ-KGLIPLIRSA-N 0 0 318.442 4.647 10 0 DJAERN CCC[C@H](C)CC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173967113 340378902 /nfs/dbraw/zinc/37/89/02/340378902.db2.gz OTQICEALMFKJIH-LSDHHAIUSA-N 0 0 322.518 4.799 10 0 DJAERN CC(C)CCC[C@H](C)NC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176133349 340425293 /nfs/dbraw/zinc/42/52/93/340425293.db2.gz XJJBKUJHFWQZKI-LSDHHAIUSA-N 0 0 323.506 4.595 10 0 DJAERN CC(C)(C)CCCCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176326598 340426498 /nfs/dbraw/zinc/42/64/98/340426498.db2.gz CVTFXCMEMSUGFR-AWEZNQCLSA-N 0 0 323.506 4.596 10 0 DJAERN CC(C)c1ccc(NCc2nnc(C3CC3)n2C)c(C(C)C)c1 ZINC000194994034 340598201 /nfs/dbraw/zinc/59/82/01/340598201.db2.gz BIOYJKUUIHLLMV-UHFFFAOYSA-N 0 0 312.461 4.551 10 0 DJAERN C[C@H](N[C@@H](C)c1nc2ccccc2n1C)c1ccc(Cl)s1 ZINC000036992154 340729516 /nfs/dbraw/zinc/72/95/16/340729516.db2.gz LHQYLLNJVPKQNI-QWRGUYRKSA-N 0 0 319.861 4.700 10 0 DJAERN C[C@@H](NCc1nc2ccccc2s1)c1ccc(F)cc1Cl ZINC000037231099 340777320 /nfs/dbraw/zinc/77/73/20/340777320.db2.gz LNQHMAVULRHXRZ-SNVBAGLBSA-N 0 0 320.820 4.940 10 0 DJAERN C[C@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1ccc2ccccc2c1 ZINC000124536163 340799622 /nfs/dbraw/zinc/79/96/22/340799622.db2.gz WKULPDQYMYSQOD-GJZGRUSLSA-N 0 0 322.408 4.896 10 0 DJAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@H](C)c2cccs2)o1 ZINC000128360559 340877828 /nfs/dbraw/zinc/87/78/28/340877828.db2.gz LYKOQRQUVBFDME-UKRRQHHQSA-N 0 0 317.454 4.761 10 0 DJAERN O=C(Nc1ccc2c(c1)CCCN2)c1cc(Cl)cc(Cl)c1 ZINC000071214821 341025934 /nfs/dbraw/zinc/02/59/34/341025934.db2.gz AUMPKAKMVHFFLP-UHFFFAOYSA-N 0 0 321.207 4.604 10 0 DJAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2ccccc2c1 ZINC000078491030 341242948 /nfs/dbraw/zinc/24/29/48/341242948.db2.gz WAFBVLIFZDSQFL-HOTGVXAUSA-N 0 0 321.342 4.691 10 0 DJAERN CC[C@H](C)Sc1ccc(NC(=O)[C@H]2CCCO[C@H]2C)c(C)c1 ZINC000249091844 341393720 /nfs/dbraw/zinc/39/37/20/341393720.db2.gz ANKJUBZUTPKLHO-DZKIICNBSA-N 0 0 321.486 4.639 10 0 DJAERN CCc1ccc([C@H]2CCCCN2C(=O)Nc2ccccc2C)o1 ZINC000152908965 341511044 /nfs/dbraw/zinc/51/10/44/341511044.db2.gz KOKRBSARSUDRMT-QGZVFWFLSA-N 0 0 312.413 4.910 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2cc(C)ccc2C)o1 ZINC000153086573 341524449 /nfs/dbraw/zinc/52/44/49/341524449.db2.gz SWNFLYXQBXJXRW-QGZVFWFLSA-N 0 0 312.413 4.964 10 0 DJAERN COc1cc(OC)c([C@@H](C)N[C@@H](C)c2ccc(C)o2)cc1Cl ZINC000158172872 341652894 /nfs/dbraw/zinc/65/28/94/341652894.db2.gz KDLGAGSDPNJXEF-NEPJUHHUSA-N 0 0 323.820 4.670 10 0 DJAERN CC(C)c1nccn1Cc1cccc(N[C@H](C)c2ccncc2)c1 ZINC000179929450 519880324 /nfs/dbraw/zinc/88/03/24/519880324.db2.gz ABBOBEHIHOCDNK-MRXNPFEDSA-N 0 0 320.440 4.623 10 0 DJAERN CCCc1cccc(C(C)C)c1NC(=O)[C@H]1CCCO[C@H]1C ZINC000190879580 521424511 /nfs/dbraw/zinc/42/45/11/521424511.db2.gz SINUQCMRANNYHX-YOEHRIQHSA-N 0 0 303.446 4.516 10 0 DJAERN CC[C@H](N[C@H](c1nc(C2CC2)no1)C(C)C)c1cccc(F)c1 ZINC000188198964 522749918 /nfs/dbraw/zinc/74/99/18/522749918.db2.gz BKHBZJCCZDSGMI-HOTGVXAUSA-N 0 0 317.408 4.524 10 0 DJAERN C[C@@H](NC(=O)N(Cc1ccco1)C1CCCC1)c1cccs1 ZINC000171587080 525156710 /nfs/dbraw/zinc/15/67/10/525156710.db2.gz HJWNHVHHARZTOD-CYBMUJFWSA-N 0 0 318.442 4.557 10 0 DJAERN C[C@@H](N[C@@H](C)c1ccc2ccccc2c1)c1nc(C2CC2)no1 ZINC000120052853 525612142 /nfs/dbraw/zinc/61/21/42/525612142.db2.gz XVPKMKPPHDMXOY-QWHCGFSZSA-N 0 0 307.397 4.512 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)CCCc2cccs2)o1 ZINC000127969309 525798405 /nfs/dbraw/zinc/79/84/05/525798405.db2.gz KNIRGGWJXHDTOC-INIZCTEOSA-N 0 0 317.454 4.726 10 0 DJAERN Cc1ccc(-c2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)cc1 ZINC000073637990 525869160 /nfs/dbraw/zinc/86/91/60/525869160.db2.gz CFWXVCXTRJIMCV-UHFFFAOYSA-N 0 0 309.756 4.847 10 0 DJAERN Cc1nc([C@@H]2CCCN2Cc2csc(C(C)(C)C)n2)cs1 ZINC000189810741 527051274 /nfs/dbraw/zinc/05/12/74/527051274.db2.gz RRKHMDXJLKGJDP-AWEZNQCLSA-N 0 0 321.515 4.543 10 0 DJAERN COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)CC[C@H]21 ZINC000004758597 560199948 /nfs/dbraw/zinc/19/99/48/560199948.db2.gz ILVARFYPEVEZSJ-SSSFQFABSA-N 0 0 312.453 4.757 10 0 in-vitro DJAERN O=C(c1ccc(Cl)cc1)n1c(=S)sc2ccccc21 ZINC000003124163 563322571 /nfs/dbraw/zinc/32/25/71/563322571.db2.gz XNNOTRZWQOSICS-UHFFFAOYSA-N 0 0 305.811 4.774 10 0 DJAERN CCCCOc1ccc(/C=C/C(=O)OC(C)(C)C)cc1OCC ZINC000725273773 563579392 /nfs/dbraw/zinc/57/93/92/563579392.db2.gz CKHAUNKGHAERRF-ZRDIBKRKSA-N 0 0 320.429 4.619 10 0 DJAERN CCOC(=O)c1sc(Br)cc1[C@H](C)C(C)(C)C ZINC000675058196 563910238 /nfs/dbraw/zinc/91/02/38/563910238.db2.gz WGUKBNVJHJVQMP-QMMMGPOBSA-N 0 0 319.264 4.837 10 0 DJAERN O=C(/C=C/c1ccc(-c2cccs2)o1)OCc1ccccc1 ZINC000048545133 563924050 /nfs/dbraw/zinc/92/40/50/563924050.db2.gz BRPHUAFKQYEFCJ-PKNBQFBNSA-N 0 0 310.374 4.765 10 0 DJAERN COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C)cc1Cl ZINC000048544499 563924098 /nfs/dbraw/zinc/92/40/98/563924098.db2.gz VBZRNYKYVKGNLG-VQHVLOKHSA-N 0 0 315.800 4.617 10 0 DJAERN Cc1cc(C(F)F)nc2cc(Cl)c(Br)cc12 ZINC000669372508 568418357 /nfs/dbraw/zinc/41/83/57/568418357.db2.gz QHQIAFDCRLPWDD-UHFFFAOYSA-N 0 0 306.537 4.897 10 0 DJAERN Cc1nc(C(C)C)nc(/C=C\c2ccccc2)c1Br ZINC000301054706 229472784 /nfs/dbraw/zinc/47/27/84/229472784.db2.gz HMUDKNXHYXQGBP-KTKRTIGZSA-N 0 0 317.230 4.841 10 0 DJAERN Cc1cc2c(ccnc2N[C@@H](C)c2cn(C(C)(C)C)nc2C)o1 ZINC000130445834 334926391 /nfs/dbraw/zinc/92/63/91/334926391.db2.gz JSWHUBYBTKITFM-LBPRGKRZSA-N 0 0 312.417 4.569 10 0 DJAERN O=C(c1ccc(F)cc1)c1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000095616864 185382679 /nfs/dbraw/zinc/38/26/79/185382679.db2.gz TUJIXAQGNYXNMB-UHFFFAOYSA-N 0 0 316.335 4.600 10 0 DJAERN O=C(c1cccs1)c1ccc(Br)c2ccccc12 ZINC000083165693 185215503 /nfs/dbraw/zinc/21/55/03/185215503.db2.gz FCVVWEGWBHBJHF-UHFFFAOYSA-N 0 0 317.207 4.895 10 0 DJAERN Brc1ccc(-c2ccc(-c3cccnc3)nc2)cc1 ZINC000090549442 185302331 /nfs/dbraw/zinc/30/23/31/185302331.db2.gz IRUJDERXVSEQTL-UHFFFAOYSA-N 0 0 311.182 4.573 10 0 DJAERN C(=C/CCO[C@@H]1CCCCO1)\CCCCOCc1ccccc1 ZINC000090628496 185307593 /nfs/dbraw/zinc/30/75/93/185307593.db2.gz HTDBWZWDAYAUBW-ZFDYTMOGSA-N 0 0 318.457 4.863 10 0 DJAERN COc1ccccc1C(=O)Oc1cc(Cl)c(C)c(Cl)c1 ZINC000014778351 190639707 /nfs/dbraw/zinc/63/97/07/190639707.db2.gz TWVBGBVHYLAVNZ-UHFFFAOYSA-N 0 0 311.164 4.530 10 0 DJAERN O=Cc1ccc2ccccc2c1OC(=O)c1cccc(Cl)c1 ZINC000014778457 190640110 /nfs/dbraw/zinc/64/01/10/190640110.db2.gz ULNBOTPQVLOBRS-UHFFFAOYSA-N 0 0 310.736 4.525 10 0 DJAERN Cc1ccc(N)cc1-c1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000070451261 190894498 /nfs/dbraw/zinc/89/44/98/190894498.db2.gz YIFAIESXDMUDCX-UHFFFAOYSA-N 0 0 320.367 4.636 10 0 DJAERN c1ccc(C2=Nc3ccccc3N=C(N3CCCCC3)C2)cc1 ZINC000139032362 186019698 /nfs/dbraw/zinc/01/96/98/186019698.db2.gz JERYWYRUYCFHKN-UHFFFAOYSA-N 0 0 303.409 4.727 10 0 DJAERN C[C@@H]1CCCN(c2nc3ccccc3c(Nc3ccccc3)n2)C1 ZINC000072260378 191088935 /nfs/dbraw/zinc/08/89/35/191088935.db2.gz ZKXFVGMTQSZDFV-OAHLLOKOSA-N 0 0 318.424 4.610 10 0 DJAERN Cc1ccccc1/C=C/c1ccnc(N2CCc3ccccc32)n1 ZINC000072443625 191168397 /nfs/dbraw/zinc/16/83/97/191168397.db2.gz VSQPKJOJZKJUAU-ZHACJKMWSA-N 0 0 313.404 4.650 10 0 DJAERN Cc1ccc(/C=C/c2ccnc(N3CCc4ccccc43)n2)cc1 ZINC000072443623 191168831 /nfs/dbraw/zinc/16/88/31/191168831.db2.gz SHDLMKIYMQKPCF-ZHACJKMWSA-N 0 0 313.404 4.650 10 0 DJAERN COc1ccc(Nc2nccc(/C=C/c3ccc(C)cc3)n2)cc1 ZINC000072443699 191169353 /nfs/dbraw/zinc/16/93/53/191169353.db2.gz WHTCHPOWEPSCFL-BQYQJAHWSA-N 0 0 317.392 4.708 10 0 DJAERN COc1ccc2c(c1)c(C)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000000344261 180762211 /nfs/dbraw/zinc/76/22/11/180762211.db2.gz SNVREIRUTHXNKB-UHFFFAOYSA-N 0 0 313.784 4.609 10 0 DJAERN O=C(Nc1ccccc1)N(c1ccccc1)C1=NCCCCC1 ZINC000003167677 180988342 /nfs/dbraw/zinc/98/83/42/180988342.db2.gz NESFKSISALJLEX-UHFFFAOYSA-N 0 0 307.397 4.698 10 0 DJAERN Cl[C@]1(Br)CC1(c1ccccc1)c1ccccc1 ZINC000003172915 180988445 /nfs/dbraw/zinc/98/84/45/180988445.db2.gz WHQPETDTTLLCLG-OAHLLOKOSA-N 0 0 307.618 4.706 10 0 DJAERN COc1ccc2c(CC(=O)Nc3c(C)cc(C)cc3C)coc2c1 ZINC000003528479 181030543 /nfs/dbraw/zinc/03/05/43/181030543.db2.gz ZNKCJUZQUZTZCD-UHFFFAOYSA-N 0 0 323.392 4.548 10 0 DJAERN CC(C)c1nnc(SCc2ccccc2)n1-c1ccccc1 ZINC000004184781 181083382 /nfs/dbraw/zinc/08/33/82/181083382.db2.gz YTUMPBDXKGWEIS-UHFFFAOYSA-N 0 0 309.438 4.683 10 0 DJAERN Cc1cc2nc(NC(=O)/C=C/c3ccccc3)sc2c(C)c1 ZINC000004330975 181098796 /nfs/dbraw/zinc/09/87/96/181098796.db2.gz YKZYTVNDDKKRNJ-CMDGGOBGSA-N 0 0 308.406 4.565 10 0 DJAERN O=C(Nc1nc2c(cc(Cl)cc2Cl)s1)c1ccccc1 ZINC000004330740 181098868 /nfs/dbraw/zinc/09/88/68/181098868.db2.gz WGQLJZQSNYTVCB-UHFFFAOYSA-N 0 0 323.204 4.855 10 0 DJAERN CC(C)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1 ZINC000004348686 181101247 /nfs/dbraw/zinc/10/12/47/181101247.db2.gz WBMNTQLUZSHDHV-UHFFFAOYSA-N 0 0 310.422 4.601 10 0 DJAERN CCc1cccc2sc(NC(=O)c3cc(C)ccc3C)nc21 ZINC000004348716 181101275 /nfs/dbraw/zinc/10/12/75/181101275.db2.gz KHGHCNASXOQMOS-UHFFFAOYSA-N 0 0 310.422 4.728 10 0 DJAERN COc1cc(C)c2c(c1)CC[C@H]1[C@H]3CC[C@](C)(O)[C@]3(C)CC[C@@H]21 ZINC000004369928 181103289 /nfs/dbraw/zinc/10/32/89/181103289.db2.gz LHXMMRGMJDCCPZ-VLFNSIGCSA-N 0 0 314.469 4.611 10 0 DJAERN Cc1ccc(C)c(NC(=O)c2cc3sc(Cl)cc3n2C)c1 ZINC000005036539 181194757 /nfs/dbraw/zinc/19/47/57/181194757.db2.gz SZFASGXQJBDPSD-UHFFFAOYSA-N 0 0 318.829 4.762 10 0 DJAERN Cc1cc2nc(NC(=O)/C=C/c3ccccc3)sc2cc1C ZINC000005152380 181210142 /nfs/dbraw/zinc/21/01/42/181210142.db2.gz HXVDYHLKURJUPB-CMDGGOBGSA-N 0 0 308.406 4.565 10 0 DJAERN Cc1ccc(CC(=O)Nc2nc3c(ccc(C)c3C)s2)c(C)c1 ZINC000005268091 181224211 /nfs/dbraw/zinc/22/42/11/181224211.db2.gz FAQNUUPVLVQQHG-UHFFFAOYSA-N 0 0 324.449 4.711 10 0 DJAERN Cc1ccc(CC(=O)Nc2nc3cc(C)cc(C)c3s2)c(C)c1 ZINC000005268160 181224807 /nfs/dbraw/zinc/22/48/07/181224807.db2.gz HNHVYOWVYYGFDA-UHFFFAOYSA-N 0 0 324.449 4.711 10 0 DJAERN Cc1ccc(-c2csc3ncnc(N4CCCCC4)c23)cc1C ZINC000005550247 181256096 /nfs/dbraw/zinc/25/60/96/181256096.db2.gz YXXLRXRPIKRHSS-UHFFFAOYSA-N 0 0 323.465 4.965 10 0 DJAERN CCN(CC)c1ncnc2scc(-c3ccc(C)c(C)c3)c21 ZINC000005550245 181256182 /nfs/dbraw/zinc/25/61/82/181256182.db2.gz PLAKWAIDYLFBDH-UHFFFAOYSA-N 0 0 311.454 4.821 10 0 DJAERN CC(C)OC(=O)c1c(N)scc1-c1ccc(C(C)(C)C)cc1 ZINC000005633311 181266212 /nfs/dbraw/zinc/26/62/12/181266212.db2.gz PUSBRGDEFSPRKT-UHFFFAOYSA-N 0 0 317.454 4.860 10 0 DJAERN COc1cc(/C=C\c2ccc(Cl)cc2)cc(OC)c1OC ZINC000005808108 181285962 /nfs/dbraw/zinc/28/59/62/181285962.db2.gz PRZBYQFRFYZXBQ-PLNGDYQASA-N 0 0 304.773 4.536 10 0 DJAERN CC(C)N(C(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(C)C ZINC000005909302 181294889 /nfs/dbraw/zinc/29/48/89/181294889.db2.gz ULPYNBHKQASFSL-SOFGYWHQSA-N 0 0 300.229 4.652 10 0 DJAERN Cc1c(Cl)ccc(O[C@@H](C)C(=O)Nc2ccccc2)c1Cl ZINC000006069020 181310940 /nfs/dbraw/zinc/31/09/40/181310940.db2.gz BDQWWOHKFDSADC-NSHDSACASA-N 0 0 324.207 4.708 10 0 DJAERN CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(CC)cc2)cc1 ZINC000006396729 181337268 /nfs/dbraw/zinc/33/72/68/181337268.db2.gz SACRWEKSBYOEKZ-UHFFFAOYSA-N 0 0 324.424 4.630 10 0 DJAERN Cn1cc([C@@H]2C3=C(CCCC3)C(=O)N2C(C)(C)C)c2ccccc21 ZINC000006416992 181340080 /nfs/dbraw/zinc/34/00/80/181340080.db2.gz KHGLDZJVTCVDNV-IBGZPJMESA-N 0 0 322.452 4.731 10 0 DJAERN CC(C)(C)C(=O)Nc1c2ccccc2oc1C(=O)c1ccccc1 ZINC000006615027 181361642 /nfs/dbraw/zinc/36/16/42/181361642.db2.gz DZZQNJKRJPQFJC-UHFFFAOYSA-N 0 0 321.376 4.648 10 0 DJAERN Cc1ccccc1N1C(=O)c2ccccc2N[C@H]1C1CCCCC1 ZINC000006632654 181363266 /nfs/dbraw/zinc/36/32/66/181363266.db2.gz RZTPJYOVIKRDPP-HXUWFJFHSA-N 0 0 320.436 4.974 10 0 DJAERN Cc1ccc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2c1 ZINC000006716100 181377012 /nfs/dbraw/zinc/37/70/12/181377012.db2.gz ANWHPGDPFVPDRT-UHFFFAOYSA-N 0 0 304.180 4.989 10 0 DJAERN CCOc1ccccc1/C=C/C(=O)Nc1c(C)cccc1CC ZINC000007653384 181483704 /nfs/dbraw/zinc/48/37/04/181483704.db2.gz OSWISSDSNPIFOY-BUHFOSPRSA-N 0 0 309.409 4.608 10 0 DJAERN C/C=C\C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000095935878 193450006 /nfs/dbraw/zinc/45/00/06/193450006.db2.gz IWXZRAUOIXQJBG-IHWYPQMZSA-N 0 0 313.209 4.632 10 0 DJAERN Brc1ccc(-c2ccccc2)cc1Br ZINC000095934634 193450245 /nfs/dbraw/zinc/45/02/45/193450245.db2.gz XIQSOBZINJQGKX-UHFFFAOYSA-N 0 0 312.004 4.879 10 0 DJAERN FC(F)(F)c1cccc(OC(=S)c2ccnc(Cl)c2)c1 ZINC000095932096 193450431 /nfs/dbraw/zinc/45/04/31/193450431.db2.gz KVGSSEQYGHLHCL-UHFFFAOYSA-N 0 0 317.719 4.508 10 0 DJAERN CC(=O)c1c(C)[nH]c(-c2cn3c4ccc(C)cc4sc3n2)c1C ZINC000008725220 181578688 /nfs/dbraw/zinc/57/86/88/181578688.db2.gz XIPFOOJQEROLDR-UHFFFAOYSA-N 0 0 323.421 4.672 10 0 DJAERN Cc1ccc(CC(=O)Nc2nc3c(cccc3C(C)C)s2)cc1 ZINC000008967718 181593614 /nfs/dbraw/zinc/59/36/14/181593614.db2.gz GPBUBUFQSSLHEC-UHFFFAOYSA-N 0 0 324.449 4.909 10 0 DJAERN CCSc1ccc(-c2sc(-c3ccccc3)nc2C)nn1 ZINC000009116606 181602371 /nfs/dbraw/zinc/60/23/71/181602371.db2.gz IDQOOWAHODZPJU-UHFFFAOYSA-N 0 0 313.451 4.688 10 0 DJAERN Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000009695578 181636238 /nfs/dbraw/zinc/63/62/38/181636238.db2.gz YNKYAXCWMZQTJU-INIZCTEOSA-N 0 0 311.425 4.833 10 0 DJAERN Cc1ccccc1CNC(=O)c1ccc(-c2ccsc2)cc1 ZINC000013359920 181846177 /nfs/dbraw/zinc/84/61/77/181846177.db2.gz ZMKRCIQNRJNTAD-UHFFFAOYSA-N 0 0 307.418 4.654 10 0 DJAERN CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=O ZINC000013776992 181894464 /nfs/dbraw/zinc/89/44/64/181894464.db2.gz RPANGAGEVTXEQR-UHFFFAOYSA-N 0 0 307.393 4.734 10 0 DJAERN C[C@H]1CCCC[C@@H]1NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000013822256 181902729 /nfs/dbraw/zinc/90/27/29/181902729.db2.gz ATLSZEDFEPOXEK-ZANVPECISA-N 0 0 317.285 4.859 10 0 DJAERN CCCCc1ccc(NC(=S)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000013827204 181903710 /nfs/dbraw/zinc/90/37/10/181903710.db2.gz ODCUONUXLASRFR-HUUCEWRRSA-N 0 0 304.503 4.704 10 0 DJAERN O=C(/C=C/c1cccc(F)c1)Nc1c(Cl)cccc1Cl ZINC000016032374 182030179 /nfs/dbraw/zinc/03/01/79/182030179.db2.gz UESFWCOZYRKUFG-BQYQJAHWSA-N 0 0 310.155 4.784 10 0 DJAERN c1ccc(COc2ccc(-c3ccc4c(c3)CCN4)cc2)cc1 ZINC000016946029 182065409 /nfs/dbraw/zinc/06/54/09/182065409.db2.gz ZSKJDHFAJHZFBB-UHFFFAOYSA-N 0 0 301.389 4.901 10 0 DJAERN C[C@H](Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000019230240 182109309 /nfs/dbraw/zinc/10/93/09/182109309.db2.gz HFSROVRNSPDALA-JTQLQIEISA-N 0 0 324.207 4.938 10 0 DJAERN Nc1cc(Cl)ccc1Oc1ccc(F)cc1Br ZINC000019845711 182156390 /nfs/dbraw/zinc/15/63/90/182156390.db2.gz SPBJWJZOQWKHLZ-UHFFFAOYSA-N 0 0 316.557 4.616 10 0 DJAERN CCC[C@@H](C)C(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 ZINC000019815752 182153566 /nfs/dbraw/zinc/15/35/66/182153566.db2.gz KUYPUPIFQLGWLW-CYBMUJFWSA-N 0 0 308.381 4.870 10 0 DJAERN COc1cccc([C@@H](C)Nc2ccc(Br)c(C)c2)c1 ZINC000019908123 182162924 /nfs/dbraw/zinc/16/29/24/182162924.db2.gz ZUSOMCSTCULIBT-GFCCVEGCSA-N 0 0 320.230 4.939 10 0 DJAERN COc1cccc([C@H](C)Nc2ccc(Br)c(C)c2)c1 ZINC000019908124 182163005 /nfs/dbraw/zinc/16/30/05/182163005.db2.gz ZUSOMCSTCULIBT-LBPRGKRZSA-N 0 0 320.230 4.939 10 0 DJAERN Fc1cc(Br)ccc1N[C@H]1CCc2ccccc21 ZINC000019908011 182163118 /nfs/dbraw/zinc/16/31/18/182163118.db2.gz WMSNUOVEKNMPBA-AWEZNQCLSA-N 0 0 306.178 4.688 10 0 DJAERN C[C@@H]1C[C@H]1c1ccc(CNc2ccccc2Br)o1 ZINC000019922583 182164357 /nfs/dbraw/zinc/16/43/57/182164357.db2.gz BNKGCXUDUYVKME-ZYHUDNBSSA-N 0 0 306.203 4.778 10 0 DJAERN C[C@H]1C[C@@H]1c1ccc(CNc2ccccc2Br)o1 ZINC000019922581 182164539 /nfs/dbraw/zinc/16/45/39/182164539.db2.gz BNKGCXUDUYVKME-JQWIXIFHSA-N 0 0 306.203 4.778 10 0 DJAERN CC(=O)c1ccc(Oc2cccc(Br)c2)c(F)c1 ZINC000019871536 182159306 /nfs/dbraw/zinc/15/93/06/182159306.db2.gz IJPPWJHFVKHCLT-UHFFFAOYSA-N 0 0 309.134 4.583 10 0 DJAERN Cc1cccc(Nc2ncnc3sc4c(c32)CCCC4)c1C ZINC000019953941 182169525 /nfs/dbraw/zinc/16/95/25/182169525.db2.gz HCNQHDKITKXJGG-UHFFFAOYSA-N 0 0 309.438 4.931 10 0 DJAERN CCc1cc2c(ncnc2Nc2cccc3c(O)cccc23)s1 ZINC000019959165 182169878 /nfs/dbraw/zinc/16/98/78/182169878.db2.gz JSGFKTSNFCATBZ-UHFFFAOYSA-N 0 0 321.405 4.856 10 0 DJAERN CSc1cccc(Nc2ncnc3sc(C)c(C)c32)c1 ZINC000019976146 182172549 /nfs/dbraw/zinc/17/25/49/182172549.db2.gz CEGBTBDNZPABRX-UHFFFAOYSA-N 0 0 301.440 4.774 10 0 DJAERN Cc1ccc(Cl)c(NC(=O)c2ccc(Cl)nc2)c1Cl ZINC000019980063 182173082 /nfs/dbraw/zinc/17/30/82/182173082.db2.gz AVCYQVXSGKQSFL-UHFFFAOYSA-N 0 0 315.587 4.603 10 0 DJAERN Cc1cc(Br)ccc1N[C@@H]1CCc2ccccc21 ZINC000019990621 182174568 /nfs/dbraw/zinc/17/45/68/182174568.db2.gz GJMXUGOQYVRNRC-MRXNPFEDSA-N 0 0 302.215 4.857 10 0 DJAERN C[C@H](Nc1cccc(Br)c1)c1ccc(F)cc1F ZINC000019941841 182167808 /nfs/dbraw/zinc/16/78/08/182167808.db2.gz IEVAEJZVZXRZKM-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN C[C@@H](Nc1cccc(Br)c1)c1ccc(F)cc1F ZINC000019941840 182168032 /nfs/dbraw/zinc/16/80/32/182168032.db2.gz IEVAEJZVZXRZKM-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN COc1cc(N[C@H]2C[C@H](C)CC(C)(C)C2)c(OC)cc1Cl ZINC000020012464 182177915 /nfs/dbraw/zinc/17/79/15/182177915.db2.gz UZSHOHPJELNNJK-RYUDHWBXSA-N 0 0 311.853 4.984 10 0 DJAERN CC[C@H](Nc1cc(OC)c(Cl)cc1OC)c1ccccc1 ZINC000020014389 182178366 /nfs/dbraw/zinc/17/83/66/182178366.db2.gz PKMGCWVGYUPMNC-AWEZNQCLSA-N 0 0 305.805 4.920 10 0 DJAERN CCOc1ccccc1CNc1cc(C)c(Cl)cc1OC ZINC000020007927 182176868 /nfs/dbraw/zinc/17/68/68/182176868.db2.gz QEDVYYZNOWANLL-UHFFFAOYSA-N 0 0 305.805 4.668 10 0 DJAERN Fc1ccc(NCc2ccccc2Br)c(Cl)c1 ZINC000020361117 182211636 /nfs/dbraw/zinc/21/16/36/182211636.db2.gz AYLYCGLRDZNZMC-UHFFFAOYSA-N 0 0 314.585 4.854 10 0 DJAERN C[C@H](Nc1ccc(F)cc1Br)c1ccc(F)cc1 ZINC000020430512 182216582 /nfs/dbraw/zinc/21/65/82/182216582.db2.gz BLZHBYCNKPYNHY-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN Cc1cc([C@H](C)Nc2ccc(Br)cc2F)c(C)o1 ZINC000020437808 182217770 /nfs/dbraw/zinc/21/77/70/182217770.db2.gz YUWKCAYBDWYRQJ-VIFPVBQESA-N 0 0 312.182 4.971 10 0 DJAERN Nc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000020595541 182235993 /nfs/dbraw/zinc/23/59/93/182235993.db2.gz VZFQOYILHFDJOH-UHFFFAOYSA-N 0 0 302.588 4.808 10 0 DJAERN Cc1ccc(NCc2ccc(F)c(Br)c2)cc1F ZINC000021516087 182277470 /nfs/dbraw/zinc/27/74/70/182277470.db2.gz IMHZOSYORVUKTA-UHFFFAOYSA-N 0 0 312.157 4.648 10 0 DJAERN COc1cccc(CNc2cc(Cl)ccc2Cl)c1OC ZINC000021816278 182293083 /nfs/dbraw/zinc/29/30/83/182293083.db2.gz WLUZNKIQMMRRSH-UHFFFAOYSA-N 0 0 312.196 4.623 10 0 DJAERN CCOC(=O)c1cnc2c(-c3ccccc3)cccc2c1Cl ZINC000098178214 193791224 /nfs/dbraw/zinc/79/12/24/193791224.db2.gz VWVPBLLIVVAAPY-UHFFFAOYSA-N 0 0 311.768 4.732 10 0 DJAERN Cc1[nH]c(-c2ccc(C)c(C)c2)cc1C(=O)NCc1cccs1 ZINC000033139650 182694858 /nfs/dbraw/zinc/69/48/58/182694858.db2.gz ZQTXSKPBWPYNTC-UHFFFAOYSA-N 0 0 324.449 4.598 10 0 DJAERN Cc1ccc(/C=C\C(=O)Nc2nc3ccc(Cl)cc3s2)o1 ZINC000033314894 182702861 /nfs/dbraw/zinc/70/28/61/182702861.db2.gz NHMNYLJEEJVCRA-ALCCZGGFSA-N 0 0 318.785 4.503 10 0 DJAERN Nc1n[nH]c(-c2ccsc2)c1-c1ccc(Cl)cc1Cl ZINC000037349087 182883250 /nfs/dbraw/zinc/88/32/50/182883250.db2.gz OFNUHVZMTVFCGR-UHFFFAOYSA-N 0 0 310.209 4.694 10 0 DJAERN Cc1cccc(CNc2c(F)cc(F)cc2Br)c1 ZINC000037392839 182886323 /nfs/dbraw/zinc/88/63/23/182886323.db2.gz WVDOURDRAAXPPK-UHFFFAOYSA-N 0 0 312.157 4.648 10 0 DJAERN CC(C)c1ccccc1OCc1ccc(N)cc1Br ZINC000037516115 182902995 /nfs/dbraw/zinc/90/29/95/182902995.db2.gz WWEQCHCDGOOFDC-UHFFFAOYSA-N 0 0 320.230 4.734 10 0 DJAERN C[C@H](Nc1ccc(F)cc1F)c1ccc(Br)s1 ZINC000038001779 182957982 /nfs/dbraw/zinc/95/79/82/182957982.db2.gz QOVAQKKFHAMSTC-ZETCQYMHSA-N 0 0 318.186 4.962 10 0 DJAERN CC(=O)c1oc2c(cc3ccccc3c2Br)c1C ZINC000038077639 182986164 /nfs/dbraw/zinc/98/61/64/182986164.db2.gz CJWZSYQTPJNTBP-UHFFFAOYSA-N 0 0 303.155 4.860 10 0 DJAERN Cn1ccc(=O)c2c1oc(-c1ccccc1)c2-c1ccc(F)cc1 ZINC000039127103 183014351 /nfs/dbraw/zinc/01/43/51/183014351.db2.gz VMZOFWCDFLANBA-UHFFFAOYSA-N 0 0 319.335 4.605 10 0 DJAERN FC(F)(F)c1cccc2c(NNc3ccccc3)ccnc21 ZINC000039963819 183026045 /nfs/dbraw/zinc/02/60/45/183026045.db2.gz UHMPCXLZJYGWLN-UHFFFAOYSA-N 0 0 303.287 4.693 10 0 DJAERN O=C(Oc1ccc(Cl)c2cccnc12)c1ccc(Cl)cc1 ZINC000040165882 183042353 /nfs/dbraw/zinc/04/23/53/183042353.db2.gz UCMUWWWOSIOOOY-UHFFFAOYSA-N 0 0 318.159 4.761 10 0 DJAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)N(C)c1ccccc1 ZINC000040178770 183044029 /nfs/dbraw/zinc/04/40/29/183044029.db2.gz WZEZJHLLVBPJIK-UHFFFAOYSA-N 0 0 305.377 4.840 10 0 DJAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1cccc(F)c1 ZINC000040178817 183044117 /nfs/dbraw/zinc/04/41/17/183044117.db2.gz GKAJUEAFOCXJHF-UHFFFAOYSA-N 0 0 313.303 4.786 10 0 DJAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(C)cc1 ZINC000040178798 183044492 /nfs/dbraw/zinc/04/44/92/183044492.db2.gz SZCZAKRCTMHCNG-UHFFFAOYSA-N 0 0 309.340 4.955 10 0 DJAERN Cc1cc(C)c2nc(C)cc(NC(=O)c3cccc(F)c3)c2c1 ZINC000040177051 183044517 /nfs/dbraw/zinc/04/45/17/183044517.db2.gz GGBCTFLBLQHZBN-UHFFFAOYSA-N 0 0 308.356 4.551 10 0 DJAERN Cc1nc2ccccc2n1CCCCOc1cccc(C)c1C ZINC000040224709 183047051 /nfs/dbraw/zinc/04/70/51/183047051.db2.gz NYCFUXLPLONXQF-UHFFFAOYSA-N 0 0 308.425 4.821 10 0 DJAERN CCc1ccc(OCCCCn2c(C)nc3ccccc32)cc1 ZINC000040224740 183047135 /nfs/dbraw/zinc/04/71/35/183047135.db2.gz BVCRIRRUXGLCFY-UHFFFAOYSA-N 0 0 308.425 4.766 10 0 DJAERN COc1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1 ZINC000040250095 183049137 /nfs/dbraw/zinc/04/91/37/183049137.db2.gz JAGBTLUALILHTD-UHFFFAOYSA-N 0 0 314.388 4.760 10 0 DJAERN Cc1c(Cl)ccc2c(NCCc3cccs3)ccnc12 ZINC000040358982 183056405 /nfs/dbraw/zinc/05/64/05/183056405.db2.gz PFABECGNCXZDMN-UHFFFAOYSA-N 0 0 302.830 4.913 10 0 DJAERN Clc1ccc(Cc2nc3ccccc3n2Cc2ccco2)cc1 ZINC000040390296 183060034 /nfs/dbraw/zinc/06/00/34/183060034.db2.gz DSRXANDOUCXEOZ-UHFFFAOYSA-N 0 0 322.795 4.922 10 0 DJAERN Clc1ccc2nc(Cc3ccccc3)n(Cc3ccco3)c2c1 ZINC000040409868 183063033 /nfs/dbraw/zinc/06/30/33/183063033.db2.gz KTAWGJGGFRNGJP-UHFFFAOYSA-N 0 0 322.795 4.922 10 0 DJAERN CC(C)Cn1c2ccc(C(F)(F)F)cc2nc1-c1ccco1 ZINC000040417629 183063442 /nfs/dbraw/zinc/06/34/42/183063442.db2.gz SXQOOGKGFKTAAU-UHFFFAOYSA-N 0 0 308.303 4.971 10 0 DJAERN Clc1ccc2c(c1)nc(-c1ccco1)n2Cc1ccccc1 ZINC000040417889 183063538 /nfs/dbraw/zinc/06/35/38/183063538.db2.gz PPZTUJVTKBNYFH-UHFFFAOYSA-N 0 0 308.768 4.998 10 0 DJAERN Cn1c(COc2cccc3ccccc32)nc2cc(Cl)ccc21 ZINC000040417088 183063693 /nfs/dbraw/zinc/06/36/93/183063693.db2.gz LKAYRIIADFOZGB-UHFFFAOYSA-N 0 0 322.795 4.959 10 0 DJAERN CSc1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1 ZINC000040505167 183085429 /nfs/dbraw/zinc/08/54/29/183085429.db2.gz PIZWHJUOEAIXDN-UHFFFAOYSA-N 0 0 302.349 4.744 10 0 DJAERN Cc1cccc(Nc2ncnc(Oc3cc(C)cc(C)c3)c2N)c1 ZINC000040681454 183117049 /nfs/dbraw/zinc/11/70/49/183117049.db2.gz OKMYBUOGRYWTBP-UHFFFAOYSA-N 0 0 320.396 4.520 10 0 DJAERN Cc1cc(C)cc(Oc2ncnc(Sc3ccccc3)c2N)c1 ZINC000040681482 183117434 /nfs/dbraw/zinc/11/74/34/183117434.db2.gz HMUQTCOXGBYQSM-UHFFFAOYSA-N 0 0 323.421 4.619 10 0 DJAERN Cc1ccc(Oc2ncnc(Nc3cccc(C)c3C)c2N)cc1 ZINC000040755188 183129272 /nfs/dbraw/zinc/12/92/72/183129272.db2.gz IJBQARLQXNHMJN-UHFFFAOYSA-N 0 0 320.396 4.520 10 0 DJAERN COc1cc(OC)cc(-c2cccc(-c3ccc(O)cc3)c2)c1 ZINC000040763401 183130603 /nfs/dbraw/zinc/13/06/03/183130603.db2.gz MWVCWBDXUJZBEC-UHFFFAOYSA-N 0 0 306.361 4.743 10 0 in-vivo DJAERN CCOc1ccc(-c2cn3c(n2)sc2cccc(OC)c23)cc1 ZINC000040964640 183152224 /nfs/dbraw/zinc/15/22/24/183152224.db2.gz NEMXWXCJJKKQFU-UHFFFAOYSA-N 0 0 324.405 4.623 10 0 DJAERN O=C(CCCCCCc1ccccc1)C(F)(F)C(F)(F)F ZINC000040977546 183154553 /nfs/dbraw/zinc/15/45/53/183154553.db2.gz DTHPBVZMSGVQFQ-UHFFFAOYSA-N 0 0 308.290 4.946 10 0 in-vivo DJAERN Fc1ccccc1Nc1ccnc2ccc(Br)cc21 ZINC000041055254 183160025 /nfs/dbraw/zinc/16/00/25/183160025.db2.gz AIBSUSDFKSCFAQ-UHFFFAOYSA-N 0 0 317.161 4.880 10 0 DJAERN O=C(Nc1ccnc2cc(Cl)ccc21)c1cccc(Cl)c1 ZINC000041057753 183160942 /nfs/dbraw/zinc/16/09/42/183160942.db2.gz AUGBZAIAPLJRJS-UHFFFAOYSA-N 0 0 317.175 4.794 10 0 DJAERN CC(C)(C)c1ccc(C(=O)Nc2ccnc3c(F)cccc23)cc1 ZINC000041058123 183161100 /nfs/dbraw/zinc/16/11/00/183161100.db2.gz XBSFZFPBCDGKAB-UHFFFAOYSA-N 0 0 322.383 4.924 10 0 DJAERN Cc1cc(C)c(C[C@H](CO)Cc2cccc(Cl)c2)c(C)c1 ZINC000041516746 183196821 /nfs/dbraw/zinc/19/68/21/183196821.db2.gz YFWQVBYOLCBCDE-QGZVFWFLSA-N 0 0 302.845 4.659 10 0 DJAERN Cc1cccc(C[C@H](CO)Cc2ccc(Cl)cc2Cl)c1 ZINC000041543072 183201190 /nfs/dbraw/zinc/20/11/90/183201190.db2.gz KTLHUYULBONMMP-AWEZNQCLSA-N 0 0 309.236 4.696 10 0 DJAERN Cc1ccc(C[C@H](CO)Cc2ccc(Cl)cc2Cl)cc1 ZINC000041543078 183201288 /nfs/dbraw/zinc/20/12/88/183201288.db2.gz HRHDGVRVHLSCNR-AWEZNQCLSA-N 0 0 309.236 4.696 10 0 DJAERN OC[C@H](Cc1ccc(Cl)cc1)Cc1c(F)cccc1Cl ZINC000041564661 183203238 /nfs/dbraw/zinc/20/32/38/183203238.db2.gz VQRJKHKAVDWHMX-GFCCVEGCSA-N 0 0 313.199 4.526 10 0 DJAERN Nc1cc(F)ccc1SCc1cc(Br)cs1 ZINC000043687607 183381229 /nfs/dbraw/zinc/38/12/29/183381229.db2.gz BPYPMNAWFDXZOZ-UHFFFAOYSA-N 0 0 318.236 4.524 10 0 DJAERN Cc1ccc(/C=C2\Sc3ccc(Cl)cc3NC2=O)cc1 ZINC000049453150 183731890 /nfs/dbraw/zinc/73/18/90/183731890.db2.gz DZIVTAFCSMDNMS-NVNXTCNLSA-N 0 0 301.798 4.734 10 0 DJAERN Oc1ccccc1SCc1cc(Br)cs1 ZINC000050047104 183769620 /nfs/dbraw/zinc/76/96/20/183769620.db2.gz DTNAOSPFXOFNAI-UHFFFAOYSA-N 0 0 301.230 4.509 10 0 DJAERN C[C@H](Sc1cccc(Cl)c1)C(=O)c1ccc(F)cc1F ZINC000054185851 183928354 /nfs/dbraw/zinc/92/83/54/183928354.db2.gz PCFIGERQRNRLIX-VIFPVBQESA-N 0 0 312.768 4.982 10 0 DJAERN O[C@H](Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1F ZINC000055238634 183973069 /nfs/dbraw/zinc/97/30/69/183973069.db2.gz XKEYKWSDPPWMNN-CQSZACIVSA-N 0 0 303.135 4.548 10 0 DJAERN Clc1cc(Cl)nc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000058049145 184071190 /nfs/dbraw/zinc/07/11/90/184071190.db2.gz JQOXHTQOVRQNRO-UHFFFAOYSA-N 0 0 307.995 4.681 10 0 DJAERN COc1ccc(Br)c2c(Cl)cc(C(F)F)nc12 ZINC000061630008 184179740 /nfs/dbraw/zinc/17/97/40/184179740.db2.gz SFLAITLCTOCNGK-UHFFFAOYSA-N 0 0 322.536 4.597 10 0 DJAERN CC(=O)c1ccc(SCc2ccco2)c(Br)c1 ZINC000061696678 184183797 /nfs/dbraw/zinc/18/37/97/184183797.db2.gz HHXQOZGKWZTRLY-UHFFFAOYSA-N 0 0 311.200 4.537 10 0 DJAERN O[C@@H](Cc1sccc1Br)c1cc2ccccc2o1 ZINC000062797440 184253479 /nfs/dbraw/zinc/25/34/79/184253479.db2.gz YVQWACWJOZWAKO-NSHDSACASA-N 0 0 323.211 4.533 10 0 DJAERN Cc1cc(Br)ccc1Oc1ccccc1[C@@H](C)O ZINC000063062111 184268632 /nfs/dbraw/zinc/26/86/32/184268632.db2.gz CJZFSKXPFPEFLP-LLVKDONJSA-N 0 0 307.187 4.603 10 0 DJAERN CCc1ccc(NC(=O)c2ccc(C)cc2)c(Br)c1 ZINC000065000281 184307684 /nfs/dbraw/zinc/30/76/84/184307684.db2.gz GEWDONNKNJXGDT-UHFFFAOYSA-N 0 0 318.214 4.572 10 0 DJAERN CCc1ccc2nccc(Nc3cc(OC)ccc3OC)c2c1 ZINC000065005387 184308266 /nfs/dbraw/zinc/30/82/66/184308266.db2.gz KHOKOJTWBUZLQJ-UHFFFAOYSA-N 0 0 308.381 4.558 10 0 DJAERN CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1 ZINC000065003209 184308270 /nfs/dbraw/zinc/30/82/70/184308270.db2.gz DRGMFCNXEYCJSY-UHFFFAOYSA-N 0 0 304.459 4.969 10 0 DJAERN COc1ccc(Cl)cc1-c1cc(O)cc(OC(F)(F)F)c1 ZINC000065344316 184325903 /nfs/dbraw/zinc/32/59/03/184325903.db2.gz YFUAZIGGPIGBII-UHFFFAOYSA-N 0 0 318.678 4.620 10 0 DJAERN Oc1cc(OC(F)(F)F)cc(-c2ccc(F)c(Cl)c2)c1 ZINC000065344244 184326040 /nfs/dbraw/zinc/32/60/40/184326040.db2.gz IELPYYCQRDLKTK-UHFFFAOYSA-N 0 0 306.642 4.750 10 0 DJAERN C[C@H](Nc1cccc(C(F)(F)F)n1)c1ccc(Cl)s1 ZINC000044271678 132159349 /nfs/dbraw/zinc/15/93/49/132159349.db2.gz ZXBURKSJGYTGDV-ZETCQYMHSA-N 0 0 306.740 4.988 10 0 DJAERN Clc1ccccc1-c1nnc2ccc(Cc3ccccc3)cn21 ZINC000038420920 331675688 /nfs/dbraw/zinc/67/56/88/331675688.db2.gz JYFXJOSQMZQWCI-UHFFFAOYSA-N 0 0 319.795 4.641 10 0 DJAERN C[C@@H](Nc1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1 ZINC000090803197 332034610 /nfs/dbraw/zinc/03/46/10/332034610.db2.gz GSUKHXISEHAOIK-SECBINFHSA-N 0 0 300.711 4.927 10 0 DJAERN Brc1ccc2c(ccnc2Oc2ccccc2)c1 ZINC000098181533 332206758 /nfs/dbraw/zinc/20/67/58/332206758.db2.gz QCVOTMPAZHJRFZ-UHFFFAOYSA-N 0 0 300.155 4.790 10 0 DJAERN Cc1nc(CN[C@H](C)c2c(Cl)ccc(F)c2Cl)oc1C ZINC000179542068 333025442 /nfs/dbraw/zinc/02/54/42/333025442.db2.gz KQANHFPRHRCPIH-MRVPVSSYSA-N 0 0 317.191 4.588 10 0 DJAERN Cc1ccc([C@H](C)NCc2csc(-c3ccc(F)cc3)n2)o1 ZINC000022742391 335117258 /nfs/dbraw/zinc/11/72/58/335117258.db2.gz HUXZDWRCMBNRTM-LBPRGKRZSA-N 0 0 316.401 4.701 10 0 DJAERN CC(C)c1nnc(CS[C@@H]2CCc3c2cccc3Cl)n1C ZINC000182359692 333488078 /nfs/dbraw/zinc/48/80/78/333488078.db2.gz LLSGZWLXPCIDJS-CQSZACIVSA-N 0 0 321.877 4.513 10 0 DJAERN CC[C@H](SCC(=O)Nc1ccccc1OC)c1ccccc1 ZINC000101585696 334332518 /nfs/dbraw/zinc/33/25/18/334332518.db2.gz OKQUKRNILNXCHH-KRWDZBQOSA-N 0 0 315.438 4.518 10 0 DJAERN C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1F ZINC000164951063 334686384 /nfs/dbraw/zinc/68/63/84/334686384.db2.gz XSYVCWYFFUKDQI-VLIAUNLRSA-N 0 0 324.374 4.800 10 0 DJAERN O=C(c1cc2cc(Cl)ccc2o1)N1CCC[C@@H]1c1ccco1 ZINC000116039637 335874061 /nfs/dbraw/zinc/87/40/61/335874061.db2.gz ZIKHSWPGXOKPFE-CYBMUJFWSA-N 0 0 315.756 4.657 10 0 DJAERN C[C@H](CC(=O)N1CCCC1(C)C)c1ccc(C(F)(F)F)cc1 ZINC000102920167 335931531 /nfs/dbraw/zinc/93/15/31/335931531.db2.gz FLJWKZNAJUOVQR-GFCCVEGCSA-N 0 0 313.363 4.600 10 0 DJAERN Cc1cccnc1C(F)(F)c1nc(C2CCC(C)(C)CC2)no1 ZINC000329666627 336034268 /nfs/dbraw/zinc/03/42/68/336034268.db2.gz KZZPGONTJPHEDI-UHFFFAOYSA-N 0 0 321.371 4.597 10 0 DJAERN Cc1ccc([C@H](C)NC(=O)c2cc(C(C)C)nc3ccccc32)o1 ZINC000104929904 336272410 /nfs/dbraw/zinc/27/24/10/336272410.db2.gz RUOFGDWSMRSPMM-AWEZNQCLSA-N 0 0 322.408 4.751 10 0 DJAERN CSc1ccc(N[C@@H](C)c2cccc(Cl)c2Cl)nn1 ZINC000301268835 336297800 /nfs/dbraw/zinc/29/78/00/336297800.db2.gz GFNBKUIGFYVKOH-QMMMGPOBSA-N 0 0 314.241 4.678 10 0 DJAERN CC(C)(C)[C@H](Nc1nccc(C(F)(F)F)n1)c1cccs1 ZINC000301535661 336313063 /nfs/dbraw/zinc/31/30/63/336313063.db2.gz AGLOAHYWHWYPNS-LLVKDONJSA-N 0 0 315.364 4.756 10 0 DJAERN CCc1nc(Cl)c(C)c(N[C@@H](C)c2csc(C(C)C)n2)n1 ZINC000301554887 336314604 /nfs/dbraw/zinc/31/46/04/336314604.db2.gz HEOVGWXIIDOAGB-JTQLQIEISA-N 0 0 324.881 4.754 10 0 DJAERN Clc1ccccc1-c1csc(NCCC2=CCOCC2)n1 ZINC000302182086 336352717 /nfs/dbraw/zinc/35/27/17/336352717.db2.gz RZHCZNHGBYQPSE-UHFFFAOYSA-N 0 0 320.845 4.612 10 0 DJAERN CC(C)OC1CCC(Nc2ccnc3c(F)cc(F)cc23)CC1 ZINC000302406376 336358324 /nfs/dbraw/zinc/35/83/24/336358324.db2.gz GQLOYQQHJIODFF-UHFFFAOYSA-N 0 0 320.383 4.661 10 0 DJAERN Cc1csc([C@H]2CCCN(C(=O)CCCC3CCCC3)C2)n1 ZINC000173074325 337131869 /nfs/dbraw/zinc/13/18/69/337131869.db2.gz FAVPJSXDMCORKL-INIZCTEOSA-N 0 0 320.502 4.518 10 0 DJAERN Cc1cc(CCCC(=O)N2CCC[C@H]2c2ccco2)c(C)s1 ZINC000177271883 337155184 /nfs/dbraw/zinc/15/51/84/337155184.db2.gz ZDTIGQFZFCHARQ-INIZCTEOSA-N 0 0 317.454 4.644 10 0 DJAERN CC[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cccs1 ZINC000178609556 337165398 /nfs/dbraw/zinc/16/53/98/337165398.db2.gz DXNUSCCEFXPKLQ-IEBWSBKVSA-N 0 0 308.450 4.973 10 0 DJAERN C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1 ZINC000178612770 337165499 /nfs/dbraw/zinc/16/54/99/337165499.db2.gz CPPWCCZWMMVFOZ-MGPUTAFESA-N 0 0 306.384 4.661 10 0 DJAERN CC[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccccc1 ZINC000178607947 337165517 /nfs/dbraw/zinc/16/55/17/337165517.db2.gz KDBZTIDMHBQUTG-SFTDATJTSA-N 0 0 302.421 4.912 10 0 DJAERN CCCCC[C@H](CC)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000180352108 337173800 /nfs/dbraw/zinc/17/38/00/337173800.db2.gz CGTOKGRZVGIQHB-GJZGRUSLSA-N 0 0 308.491 4.803 10 0 DJAERN Cc1ccc([C@H](C)NCc2ncc(-c3ccccc3Cl)o2)o1 ZINC000182591524 337189067 /nfs/dbraw/zinc/18/90/67/337189067.db2.gz LAPOENWWKKOEFS-LBPRGKRZSA-N 0 0 316.788 4.747 10 0 DJAERN C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1cccc(F)c1F ZINC000183256394 337192524 /nfs/dbraw/zinc/19/25/24/337192524.db2.gz UECAABIBONNWJT-XOBRGWDASA-N 0 0 324.374 4.800 10 0 DJAERN Cc1cc([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)c(C)s1 ZINC000186539765 337257418 /nfs/dbraw/zinc/25/74/18/337257418.db2.gz KEUBTAMPUWVPQG-LLVKDONJSA-N 0 0 315.442 4.515 10 0 DJAERN CCCc1cc(C(=O)OCC)cc(OCC)c1C1CCCC1 ZINC000584598898 337370586 /nfs/dbraw/zinc/37/05/86/337370586.db2.gz NHZVBNPSFDTUPI-UHFFFAOYSA-N 0 0 304.430 4.872 10 0 DJAERN Cc1cc(Oc2nccc3ccoc32)ccc1Br ZINC000584604282 337371222 /nfs/dbraw/zinc/37/12/22/337371222.db2.gz VIPNNUPYPPTEEL-UHFFFAOYSA-N 0 0 304.143 4.691 10 0 DJAERN C/C(C=C(Br)Br)=C\c1ccccc1 ZINC000584609607 337372101 /nfs/dbraw/zinc/37/21/01/337372101.db2.gz UUMDFBHYCKGXKY-VQHVLOKHSA-N 0 0 302.009 4.721 10 0 DJAERN COC(=O)[C@@H](C)c1cc(Cl)cc(-c2ccc(Cl)cc2)c1 ZINC000584611764 337372174 /nfs/dbraw/zinc/37/21/74/337372174.db2.gz VOAWCAGVDARXBO-JTQLQIEISA-N 0 0 309.192 4.937 10 0 DJAERN CCOc1cc(-c2ccc(F)cc2F)c(C2CC2)cc1C=O ZINC000584611867 337372250 /nfs/dbraw/zinc/37/22/50/337372250.db2.gz QNPIVJMQFIICOA-UHFFFAOYSA-N 0 0 302.320 4.720 10 0 DJAERN CCOc1cc(C=O)cc(C2CC2)c1-c1ccc(F)c(F)c1 ZINC000584611987 337372303 /nfs/dbraw/zinc/37/23/03/337372303.db2.gz ZHWWNWCRIUTKBV-UHFFFAOYSA-N 0 0 302.320 4.720 10 0 DJAERN CC(C)Oc1cc(-c2ccc(F)cc2F)c(C2CC2)cc1CO ZINC000584612654 337372438 /nfs/dbraw/zinc/37/24/38/337372438.db2.gz VRGSWJBORFFXLM-UHFFFAOYSA-N 0 0 318.363 4.789 10 0 DJAERN C[C@@H](CO[C@@H]1CCCCO1)CC(C)(C)C1SCCCS1 ZINC000584615296 337372812 /nfs/dbraw/zinc/37/28/12/337372812.db2.gz WOHVSSSWJISFKP-ZIAGYGMSSA-N 0 0 318.548 4.778 10 0 DJAERN CCCCOP(=O)(OCCCC)OC[C@H](CC)OCC ZINC000584616436 337372865 /nfs/dbraw/zinc/37/28/65/337372865.db2.gz VKRJILRSZNHZAV-AWEZNQCLSA-N 0 0 310.371 4.560 10 0 DJAERN O=Cc1ccc(Sc2ccc3c(c2)OCCO3)c2ccccc12 ZINC000584620478 337373170 /nfs/dbraw/zinc/37/31/70/337373170.db2.gz FFJSKPDDORMKHL-UHFFFAOYSA-N 0 0 322.385 4.575 10 0 DJAERN Cc1c2cc(Cl)cc(-c3ccc(Cl)cc3)c2[nH]c1C(N)=O ZINC000584618167 337373253 /nfs/dbraw/zinc/37/32/53/337373253.db2.gz BSKDYPBFLTXICV-UHFFFAOYSA-N 0 0 319.191 4.549 10 0 DJAERN CCCCCC[C@H](C)OC(=S)Cc1ccc(O)c(OC)c1 ZINC000584595162 337373917 /nfs/dbraw/zinc/37/39/17/337373917.db2.gz XEDKNGCZVWOLLF-ZDUSSCGKSA-N 0 0 310.459 4.646 10 0 DJAERN CSc1cccc(C(O)(c2ccccc2)c2ccccc2)c1 ZINC000584595745 337374058 /nfs/dbraw/zinc/37/40/58/337374058.db2.gz KHGAEAKKYWEWEM-UHFFFAOYSA-N 0 0 306.430 4.693 10 0 DJAERN Fc1ccc(Oc2nccc3c(Cl)cnc(Cl)c32)cc1 ZINC000584624147 337375275 /nfs/dbraw/zinc/37/52/75/337375275.db2.gz BDWLSZKNTAYMCJ-UHFFFAOYSA-N 0 0 309.127 4.868 10 0 DJAERN Clc1ccc2[nH]nc(-c3ccc(Br)cc3)c2c1 ZINC000584629886 337376524 /nfs/dbraw/zinc/37/65/24/337376524.db2.gz LPFNMTURLVKRPU-UHFFFAOYSA-N 0 0 307.578 4.646 10 0 DJAERN O[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000584629747 337376534 /nfs/dbraw/zinc/37/65/34/337376534.db2.gz QKAKZMXKFAUZAY-OALUTQOASA-N 0 0 309.796 4.601 10 0 DJAERN C[C@](O)(c1ccccc1Cl)[C@H](c1ccccc1)c1ccccn1 ZINC000584629762 337376613 /nfs/dbraw/zinc/37/66/13/337376613.db2.gz RAZYYBUOXWFVBJ-UXHICEINSA-N 0 0 323.823 4.775 10 0 DJAERN CCCCCOc1ccc2c3ccc(CO)c(F)c3oc2c1F ZINC000584632526 337377206 /nfs/dbraw/zinc/37/72/06/337377206.db2.gz WJVFMJPVVVXBIT-UHFFFAOYSA-N 0 0 320.335 4.926 10 0 DJAERN C[C@@H]1C(c2c(Cl)cccc2Cl)=NO[C@H]1OC(C)(C)C ZINC000584654233 337377695 /nfs/dbraw/zinc/37/76/95/337377695.db2.gz SPHFABZEQGXQBM-AMIZOPFISA-N 0 0 302.201 4.505 10 0 DJAERN CCCCO[C@@H]1ON=C(c2c(Cl)cccc2Cl)[C@H]1C ZINC000584654221 337377802 /nfs/dbraw/zinc/37/78/02/337377802.db2.gz SESSCFSCBPTGKV-YMTOWFKASA-N 0 0 302.201 4.507 10 0 DJAERN Br/C=C/CCCc1ccc(Br)cc1 ZINC000584660708 337378267 /nfs/dbraw/zinc/37/82/67/337378267.db2.gz HCRPSGHNCVWTLC-YCRREMRBSA-N 0 0 304.025 4.680 10 0 DJAERN Cc1ccc([C@@](O)(Cc2ccc(Cl)cc2)c2ccncc2)cc1 ZINC000584637353 337379349 /nfs/dbraw/zinc/37/93/49/337379349.db2.gz ROWIELBHUPVGDV-FQEVSTJZSA-N 0 0 323.823 4.522 10 0 DJAERN Cc1c(C)c(-c2ccc(C=O)s2)sc1Br ZINC000584637854 337379542 /nfs/dbraw/zinc/37/95/42/337379542.db2.gz DGJNZADBGWYVLY-UHFFFAOYSA-N 0 0 301.230 4.668 10 0 DJAERN Clc1ccc(Oc2c[nH]nc2-c2ccccc2Cl)cn1 ZINC000584648799 337380366 /nfs/dbraw/zinc/38/03/66/337380366.db2.gz SNTBGPHQMAASTM-UHFFFAOYSA-N 0 0 306.152 4.571 10 0 DJAERN Cc1ccc(O)c(C(=C(Cl)Cl)c2cc(C)ccc2O)c1 ZINC000584651658 337380998 /nfs/dbraw/zinc/38/09/98/337380998.db2.gz JYAUDBBZEURTTF-UHFFFAOYSA-N 0 0 309.192 4.909 10 0 DJAERN COc1ccc(-c2ccc(-c3ccc(C)cc3)nc2)cc1OC ZINC000584653302 337381221 /nfs/dbraw/zinc/38/12/21/337381221.db2.gz XFUDIJPOZHKJIE-UHFFFAOYSA-N 0 0 305.377 4.741 10 0 DJAERN Cc1ccc2cccc(NC(=O)N3CCC[C@@H]3c3ccco3)c2n1 ZINC000116499282 337392842 /nfs/dbraw/zinc/39/28/42/337392842.db2.gz MGQHDZQPRPJXAC-MRXNPFEDSA-N 0 0 321.380 4.505 10 0 DJAERN CC(C)(C)c1nc(CN2CCCC[C@@H]2c2nccs2)cs1 ZINC000195360080 337466168 /nfs/dbraw/zinc/46/61/68/337466168.db2.gz RQBWXHVTPAVRKS-CYBMUJFWSA-N 0 0 321.515 4.624 10 0 DJAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1ccccc1 ZINC000245917794 337497773 /nfs/dbraw/zinc/49/77/73/337497773.db2.gz FVNXGQLIFFHDTO-IKGGRYGDSA-N 0 0 311.450 4.524 10 0 DJAERN CC(C)c1ccccc1C(=O)CCCCNC(=O)OC(C)(C)C ZINC000405711989 337868191 /nfs/dbraw/zinc/86/81/91/337868191.db2.gz ZAGJQNDLXUCYIM-UHFFFAOYSA-N 0 0 319.445 4.688 10 0 DJAERN C[C@@H](c1ccco1)N(C(=O)N[C@H]1CCCc2ccccc21)C1CC1 ZINC000086338903 338015294 /nfs/dbraw/zinc/01/52/94/338015294.db2.gz RKAMBJDXGNRNSB-KSSFIOAISA-N 0 0 324.424 4.592 10 0 DJAERN C[C@@H](NC(=O)NCc1ccco1)c1ccc(-c2ccccc2)cc1 ZINC000302847654 340283900 /nfs/dbraw/zinc/28/39/00/340283900.db2.gz AVRMRHVEPAJMTJ-OAHLLOKOSA-N 0 0 320.392 4.507 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)c2cccc(F)c2)o1 ZINC000173243705 340361019 /nfs/dbraw/zinc/36/10/19/340361019.db2.gz HTDZYZHEQDJKOZ-YOEHRIQHSA-N 0 0 315.388 4.584 10 0 DJAERN Cc1ccccc1-c1noc([C@H](C)N2CCC[C@@H]2c2ccco2)n1 ZINC000174169809 340383414 /nfs/dbraw/zinc/38/34/14/340383414.db2.gz SEYDYJRCBUOGAJ-GOEBONIOSA-N 0 0 323.396 4.536 10 0 DJAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)CCCC(C)C)cs1 ZINC000186101078 340508146 /nfs/dbraw/zinc/50/81/46/340508146.db2.gz NEDJBIPLZVIBMQ-BBRMVZONSA-N 0 0 323.506 4.513 10 0 DJAERN Cc1cc(Br)c(F)cc1N[C@@H](C)c1cncs1 ZINC000224291443 340553586 /nfs/dbraw/zinc/55/35/86/340553586.db2.gz ONWMAVNIWSTGSR-QMMMGPOBSA-N 0 0 315.211 4.526 10 0 DJAERN O=C(Nc1ccc2c(c1)CCCN2)c1ccc(Cl)c(Cl)c1 ZINC000071214818 341025914 /nfs/dbraw/zinc/02/59/14/341025914.db2.gz LUDWNKXUQCGYRZ-UHFFFAOYSA-N 0 0 321.207 4.604 10 0 DJAERN C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@H]1c1ccco1 ZINC000246682411 341355497 /nfs/dbraw/zinc/35/54/97/341355497.db2.gz BCGPKLFDLWBOFV-HOCLYGCPSA-N 0 0 308.381 4.833 10 0 DJAERN C[C@@H]1CC[C@@H](N[C@@H](c2ncc[nH]2)c2ccccc2)c2ccccc21 ZINC000249192016 341395160 /nfs/dbraw/zinc/39/51/60/341395160.db2.gz OKBUKWWFPCCYOW-CDHQVMDDSA-N 0 0 317.436 4.727 10 0 DJAERN CC(C)(C)c1ncc(CN2CCCC[C@H]2c2nccs2)s1 ZINC000127707212 519112247 /nfs/dbraw/zinc/11/22/47/519112247.db2.gz PQQPBRNDSNPPOD-ZDUSSCGKSA-N 0 0 321.515 4.624 10 0 DJAERN Cc1ccccc1-c1noc([C@H](C)N[C@@H](C)c2ccccc2C)n1 ZINC000181545085 525022689 /nfs/dbraw/zinc/02/26/89/525022689.db2.gz FCMJHSFPMIFOPY-HOTGVXAUSA-N 0 0 321.424 4.765 10 0 DJAERN CC(=O)c1ccc(Oc2ncnc3cccc(C)c32)c(Cl)c1 ZINC000120375132 534872265 /nfs/dbraw/zinc/87/22/65/534872265.db2.gz SLULGFCADQGXJO-UHFFFAOYSA-N 0 0 312.756 4.587 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc(F)c2C)o1 ZINC000161597189 525800041 /nfs/dbraw/zinc/80/00/41/525800041.db2.gz PJGPGDUSGVCMRC-INIZCTEOSA-N 0 0 316.376 4.795 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@H](C)c2cccs2)o1 ZINC000127536893 525994138 /nfs/dbraw/zinc/99/41/38/525994138.db2.gz QRINRYQEOLINLI-ZIAGYGMSSA-N 0 0 303.427 4.507 10 0 DJAERN CCOC(=O)c1sc(Br)cc1[C@@H](C)C(C)(C)C ZINC000675058195 563910310 /nfs/dbraw/zinc/91/03/10/563910310.db2.gz WGUKBNVJHJVQMP-MRVPVSSYSA-N 0 0 319.264 4.837 10 0 DJAERN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@@](C)(O)C[C@@]21C ZINC000004428444 560198364 /nfs/dbraw/zinc/19/83/64/560198364.db2.gz AUJYFVLNTWWEIM-NDUYDNQLSA-N 0 0 320.517 4.531 10 0 in-vitro DJAERN CC[C@H]1Cn2c(=O)c(-c3ccccc3)cc3cccc(c32)S1 ZINC000032918960 563443915 /nfs/dbraw/zinc/44/39/15/563443915.db2.gz FDWKXBXQIOXNPM-HNNXBMFYSA-N 0 0 307.418 4.553 10 0 DJAERN CCn1cc(C(F)F)c(-c2cccc(C)c2Br)n1 ZINC000725270725 563576090 /nfs/dbraw/zinc/57/60/90/563576090.db2.gz RRKCOBGXTGIZTG-UHFFFAOYSA-N 0 0 315.161 4.579 10 0 DJAERN CC(C)(C)OC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000725273780 563579404 /nfs/dbraw/zinc/57/94/04/563579404.db2.gz FALLOSIRNNMLCO-FNORWQNLSA-N 0 0 306.711 4.714 10 0 DJAERN CC1=C2C=C3CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C[C@H]2OC1=O ZINC000033832090 563597185 /nfs/dbraw/zinc/59/71/85/563597185.db2.gz ZXEVPUOHSXARBR-VIPLHTEESA-N 0 0 300.442 4.801 10 0 biogenic,in-vitro DJAERN COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000048534378 563698576 /nfs/dbraw/zinc/69/85/76/563698576.db2.gz NOHUCYUTFAXQNO-YCRREMRBSA-N 0 0 322.191 4.654 10 0 DJAERN Cc1ccc2c(c1)C(C)=Nc1cc(C(=O)NC(C)C)ccc1S2 ZINC000006728203 563871635 /nfs/dbraw/zinc/87/16/35/563871635.db2.gz XPRKJWYHKBAOHO-UHFFFAOYSA-N 0 0 324.449 4.739 10 0 DJAERN Clc1cc(C2CCC2)nc(-c2ccc(Br)cc2)n1 ZINC000536960170 563890101 /nfs/dbraw/zinc/89/01/01/563890101.db2.gz WLTYSNZJPMEJMU-UHFFFAOYSA-N 0 0 323.621 4.827 10 0 DJAERN FC(F)(F)c1nc(-c2cccs2)sc1Br ZINC000616577131 563898437 /nfs/dbraw/zinc/89/84/37/563898437.db2.gz IXGIKPMDGIERDS-UHFFFAOYSA-N 0 0 314.151 4.653 10 0 DJAERN CC(C)(C)C1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000675059671 563910249 /nfs/dbraw/zinc/91/02/49/563910249.db2.gz UARTYMPDRJALGM-UHFFFAOYSA-N 0 0 311.263 4.873 10 0 DJAERN CC(C)c1ccc([C@@H]2C[C@@H](c3cccs3)n3ncnc3N2)cc1 ZINC000002500100 563938226 /nfs/dbraw/zinc/93/82/26/563938226.db2.gz NICGMPSRNPZCJX-HOTGVXAUSA-N 0 0 324.453 4.609 10 0 DJAERN Cc1ccc(-c2cnc(C(F)(F)F)nc2NC2CCCC2)cc1 ZINC000090378138 185293264 /nfs/dbraw/zinc/29/32/64/185293264.db2.gz HRCZWHBTHGCXHJ-UHFFFAOYSA-N 0 0 321.346 4.825 10 0 DJAERN Cc1cc(Cl)ccc1OCc1cccc(Br)c1 ZINC000070136103 190861027 /nfs/dbraw/zinc/86/10/27/190861027.db2.gz MDXSTDDRZXPCHT-UHFFFAOYSA-N 0 0 311.606 4.990 10 0 DJAERN Cc1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000070133531 190861301 /nfs/dbraw/zinc/86/13/01/190861301.db2.gz FEDQKTJBPPFUFU-UHFFFAOYSA-N 0 0 311.606 4.990 10 0 DJAERN Cc1ccc(Nc2nc(N3CCCCC3)nc3ccccc32)cc1 ZINC000072260466 191089023 /nfs/dbraw/zinc/08/90/23/191089023.db2.gz RLNLUQNOZVHYDR-UHFFFAOYSA-N 0 0 318.424 4.672 10 0 DJAERN COc1ccc(Nc2nccc(-c3ccc(SC)cc3)n2)cc1 ZINC000072443566 191169115 /nfs/dbraw/zinc/16/91/15/191169115.db2.gz WUEJPWKGACHCTR-UHFFFAOYSA-N 0 0 323.421 4.618 10 0 DJAERN Cc1cc(C(=O)Nc2ccccc2)c2c(c1)C(C)=CC(C)(C)N2 ZINC000072441524 191167420 /nfs/dbraw/zinc/16/74/20/191167420.db2.gz IRHHITJAKQBXBQ-UHFFFAOYSA-N 0 0 306.409 4.855 10 0 DJAERN C1CSC2(C[C@H]3CCC[C@@H]2CC32SCCS2)S1 ZINC000000160314 180711507 /nfs/dbraw/zinc/71/15/07/180711507.db2.gz JRPFJSGYZHGFQT-GHMZBOCLSA-N 0 0 304.571 4.549 10 0 DJAERN O=C(Nc1ccc(F)cc1)c1cccc(OCc2ccccc2)c1 ZINC000000264051 180741626 /nfs/dbraw/zinc/74/16/26/180741626.db2.gz XIXVTIRLPJCQLM-UHFFFAOYSA-N 0 0 321.351 4.657 10 0 DJAERN CC(C)c1ccc([C@@H]2C[C@H](c3cccs3)n3ncnc3N2)cc1 ZINC000002500103 180927606 /nfs/dbraw/zinc/92/76/06/180927606.db2.gz NICGMPSRNPZCJX-JKSUJKDBSA-N 0 0 324.453 4.609 10 0 DJAERN Cl[C@@]1(Br)CC1(c1ccccc1)c1ccccc1 ZINC000003172916 180988207 /nfs/dbraw/zinc/98/82/07/180988207.db2.gz WHQPETDTTLLCLG-HNNXBMFYSA-N 0 0 307.618 4.706 10 0 DJAERN Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(O)c1 ZINC000003569963 181036602 /nfs/dbraw/zinc/03/66/02/181036602.db2.gz LFHDSFHIXKYHEK-QPJJXVBHSA-N 0 0 322.191 4.659 10 0 DJAERN CCCCN(CCCC)c1cc(C)[nH+]c2ccc(C(=O)[O-])cc21 ZINC000004226427 181086321 /nfs/dbraw/zinc/08/63/21/181086321.db2.gz INFHULJXYYUVKJ-UHFFFAOYSA-N 0 0 314.429 4.648 10 0 DJAERN Cc1ccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)c(C)c1 ZINC000004331516 181098563 /nfs/dbraw/zinc/09/85/63/181098563.db2.gz BINKSTSLOCEMLK-UHFFFAOYSA-N 0 0 310.422 4.782 10 0 DJAERN Cc1cccc(C(=O)Nc2nc3c(ccc(Cl)c3C)s2)c1 ZINC000004330764 181098683 /nfs/dbraw/zinc/09/86/83/181098683.db2.gz ZIMGWCHKBKIAMT-UHFFFAOYSA-N 0 0 316.813 4.819 10 0 DJAERN CCCCC(=O)Nc1nc2c(s1)c(Cl)ccc2Cl ZINC000004331267 181098761 /nfs/dbraw/zinc/09/87/61/181098761.db2.gz AVDPMBUQPQHBKA-UHFFFAOYSA-N 0 0 303.214 4.732 10 0 DJAERN CCc1cccc2sc(NC(=O)c3ccc(C)cc3C)nc21 ZINC000004348719 181100925 /nfs/dbraw/zinc/10/09/25/181100925.db2.gz MAVSMEBZQDGKRR-UHFFFAOYSA-N 0 0 310.422 4.728 10 0 DJAERN c1ccc(C2=NNC(c3ccccc3)=C(c3ccccc3)C2)cc1 ZINC000005052041 181196742 /nfs/dbraw/zinc/19/67/42/181196742.db2.gz ANJZJEZBMGGDNJ-UHFFFAOYSA-N 0 0 310.400 4.953 10 0 DJAERN Cc1cc2nc(NC(=O)c3ccccc3Cl)sc2cc1C ZINC000005152368 181210140 /nfs/dbraw/zinc/21/01/40/181210140.db2.gz BYLBMSGFOQFWRC-UHFFFAOYSA-N 0 0 316.813 4.819 10 0 DJAERN CC(C)(C)OC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000005284253 181226567 /nfs/dbraw/zinc/22/65/67/181226567.db2.gz GNDAQFKLKWVNPL-UHFFFAOYSA-N 0 0 306.446 4.943 10 0 DJAERN c1ccc2[nH]c(SCCOc3ccc4ccccc4c3)nc2c1 ZINC000005532841 181254765 /nfs/dbraw/zinc/25/47/65/181254765.db2.gz XLTPMVZOTPBIHZ-UHFFFAOYSA-N 0 0 320.417 4.887 10 0 DJAERN Cc1[nH]c2ccccc2c1[C@@H](Nc1nccs1)c1ccco1 ZINC000005697113 181273713 /nfs/dbraw/zinc/27/37/13/181273713.db2.gz UFWBDGFKVSRQLW-INIZCTEOSA-N 0 0 309.394 4.727 10 0 DJAERN CCCC[C@@H](CC)COC(=O)c1nc(Cl)ccc1Cl ZINC000005821805 181287076 /nfs/dbraw/zinc/28/70/76/181287076.db2.gz BOOFNDJFNWCPQD-SNVBAGLBSA-N 0 0 304.217 4.762 10 0 DJAERN CCc1cc(N[C@H](C)c2ccc3ccccc3c2)c(=O)[nH]c1C ZINC000005887492 181292920 /nfs/dbraw/zinc/29/29/20/181292920.db2.gz UIRKDULWEZEACL-CQSZACIVSA-N 0 0 306.409 4.572 10 0 DJAERN Cc1cc2ncn(C(=O)c3cc(Cl)ccc3Cl)c2cc1C ZINC000005926822 181296543 /nfs/dbraw/zinc/29/65/43/181296543.db2.gz XWMOXMSJHAEDNS-UHFFFAOYSA-N 0 0 319.191 4.648 10 0 DJAERN c1csc(-c2cc(-c3ccncc3)cc(-c3ccccn3)n2)c1 ZINC000238809560 202451520 /nfs/dbraw/zinc/45/15/20/202451520.db2.gz WDHTXVDOBUFUHN-UHFFFAOYSA-N 0 0 315.401 4.934 10 0 DJAERN CC(=O)c1cc(Br)ccc1Sc1ccccc1 ZINC000006262486 181324491 /nfs/dbraw/zinc/32/44/91/181324491.db2.gz NTMWLOBIVJSCRP-UHFFFAOYSA-N 0 0 307.212 4.803 10 0 DJAERN C[C@@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000006337149 181331552 /nfs/dbraw/zinc/33/15/52/181331552.db2.gz KKWCXLVFPKCHAF-OCHBPSSRSA-N 0 0 319.326 4.596 10 0 DJAERN Cc1cc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1Br ZINC000006377432 181335967 /nfs/dbraw/zinc/33/59/67/181335967.db2.gz PNUAKYKPHLJLAF-XQQFMLRXSA-N 0 0 322.246 4.522 10 0 DJAERN Oc1ccc(C2(c3ccc(O)cc3)C3CC4CC(C3)CC2C4)cc1 ZINC000006535468 181351719 /nfs/dbraw/zinc/35/17/19/181351719.db2.gz WEFHJJXWZHDCCM-UHFFFAOYSA-N 0 0 320.432 4.840 10 0 DJAERN O=[P@]1(c2ccccc2)CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000006575791 181356332 /nfs/dbraw/zinc/35/63/32/181356332.db2.gz NCICHKYIOOAHNX-OAQYLSRUSA-N 0 0 315.740 4.566 10 0 DJAERN Cc1ccc(OCCn2c3ccccc3nc2C(C)(C)C)cc1 ZINC000006652451 181366145 /nfs/dbraw/zinc/36/61/45/181366145.db2.gz LNWWNLLSZJBADI-UHFFFAOYSA-N 0 0 308.425 4.721 10 0 DJAERN CCCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1ccc(C)cc1 ZINC000006734325 181379753 /nfs/dbraw/zinc/37/97/53/181379753.db2.gz NWOUEQQZQHQFAD-GOSISDBHSA-N 0 0 320.436 4.525 10 0 DJAERN CC(C)Nc1nc(-c2cccs2)nc2cc(Cl)ccc21 ZINC000006766772 181385493 /nfs/dbraw/zinc/38/54/93/181385493.db2.gz PJRAXSKHNIAPGY-UHFFFAOYSA-N 0 0 303.818 4.832 10 0 DJAERN COc1c(Br)cc(Br)cc1C(C)(C)C ZINC000091692074 193092744 /nfs/dbraw/zinc/09/27/44/193092744.db2.gz ZTRFVAHXBMLDCG-UHFFFAOYSA-N 0 0 322.040 4.518 10 0 DJAERN C[C@@H]1CC[C@H](C)P1c1ccccc1P1(=O)[C@@H](C)CC[C@@H]1C ZINC000255992995 202918126 /nfs/dbraw/zinc/91/81/26/202918126.db2.gz ORZVYNTUPREFTI-UETGTESMSA-N 0 0 322.369 4.924 10 0 DJAERN Cc1c(Cl)cccc1NC(=O)c1ccnc(C(C)(C)C)c1 ZINC000008548485 181562968 /nfs/dbraw/zinc/56/29/68/181562968.db2.gz WVQSFXUFEXYMEI-UHFFFAOYSA-N 0 0 302.805 4.593 10 0 DJAERN Cc1ccc(NC(=O)c2cc3cc(F)ccc3nc2C)c(C)c1 ZINC000008549651 181563266 /nfs/dbraw/zinc/56/32/66/181563266.db2.gz HPQUYEFUCXCLNG-UHFFFAOYSA-N 0 0 308.356 4.551 10 0 DJAERN CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1F ZINC000009869205 181644611 /nfs/dbraw/zinc/64/46/11/181644611.db2.gz FMCILMSSAVHTTE-UONOGXRCSA-N 0 0 315.388 4.745 10 0 DJAERN CCc1cccc(C)c1NC(=O)c1ccccc1OCC(C)C ZINC000014034893 181922043 /nfs/dbraw/zinc/92/20/43/181922043.db2.gz PLYIZGLKNKHVCF-UHFFFAOYSA-N 0 0 311.425 4.845 10 0 DJAERN CC(C)(C)NC(=O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000014661210 181964357 /nfs/dbraw/zinc/96/43/57/181964357.db2.gz LHHKIQIXEUZREM-UHFFFAOYSA-N 0 0 319.489 4.575 10 0 DJAERN CC[C@@H](C(=O)N[C@@H](C)c1cccc(Cl)c1)c1ccccc1 ZINC000016018272 182029003 /nfs/dbraw/zinc/02/90/03/182029003.db2.gz MUZILJYTXQKTBN-SUMWQHHRSA-N 0 0 301.817 4.711 10 0 DJAERN CC[C@@H](C)c1ccccc1NC(=O)c1cc2ccccc2oc1=O ZINC000015964924 182026692 /nfs/dbraw/zinc/02/66/92/182026692.db2.gz SXOSIHVWHAWULA-CYBMUJFWSA-N 0 0 321.376 4.559 10 0 DJAERN Brc1cnc2[nH]c(-c3cccc4ccccc43)nc2c1 ZINC000017142879 182077025 /nfs/dbraw/zinc/07/70/25/182077025.db2.gz LVWOFIYADRPFCR-UHFFFAOYSA-N 0 0 324.181 4.541 10 0 DJAERN CC[C@H](Nc1cc(C)c(Cl)cc1OC)c1ccc(O)cc1 ZINC000019230728 182109635 /nfs/dbraw/zinc/10/96/35/182109635.db2.gz RDJDROLYUFDSKO-HNNXBMFYSA-N 0 0 305.805 4.926 10 0 DJAERN FC(F)(F)c1ccc(Oc2ccccc2Br)nc1 ZINC000019428088 182122881 /nfs/dbraw/zinc/12/28/81/182122881.db2.gz YYAYTAQJPIZHFR-UHFFFAOYSA-N 0 0 318.092 4.655 10 0 DJAERN C[C@@H](Nc1ccc(Br)cc1F)c1cccs1 ZINC000019907994 182163038 /nfs/dbraw/zinc/16/30/38/182163038.db2.gz SOTLAUWGVBOEPP-MRVPVSSYSA-N 0 0 300.196 4.823 10 0 DJAERN C[C@@H](Nc1ccc(F)c(F)c1)c1cccc(Br)c1 ZINC000019918161 182164359 /nfs/dbraw/zinc/16/43/59/182164359.db2.gz UDWRHQSFLFKAMS-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN C[C@H](Nc1ccccc1Br)c1ccc(F)c(F)c1 ZINC000019922797 182164455 /nfs/dbraw/zinc/16/44/55/182164455.db2.gz ISVDMODBUIXNFU-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN CC(=O)c1cc(F)ccc1Oc1ccccc1Br ZINC000019871590 182159134 /nfs/dbraw/zinc/15/91/34/182159134.db2.gz YWUBJNZNPLOQCU-UHFFFAOYSA-N 0 0 309.134 4.583 10 0 DJAERN CC(=O)c1ccc(Oc2ccccc2Br)c(F)c1 ZINC000019871589 182159207 /nfs/dbraw/zinc/15/92/07/182159207.db2.gz SSHJPDRSACPWKI-UHFFFAOYSA-N 0 0 309.134 4.583 10 0 DJAERN CC(=O)c1ccccc1Oc1ccc(F)cc1Br ZINC000019871413 182159299 /nfs/dbraw/zinc/15/92/99/182159299.db2.gz PDBXCSVCOXQXPC-UHFFFAOYSA-N 0 0 309.134 4.583 10 0 DJAERN C[C@@H](Nc1cc(F)cc(F)c1)c1ccc(Br)cc1 ZINC000019961778 182170529 /nfs/dbraw/zinc/17/05/29/182170529.db2.gz NSGUJZVKTUEREH-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN C[C@H](Nc1cc(F)cc(F)c1)c1ccccc1Br ZINC000019961880 182170785 /nfs/dbraw/zinc/17/07/85/182170785.db2.gz ACGQWBCCVYYEQK-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN COc1cc([C@H](C)Nc2cc(Cl)cc(Cl)c2)ccc1O ZINC000019988905 182174646 /nfs/dbraw/zinc/17/46/46/182174646.db2.gz KCWFVIIYQDLRLG-VIFPVBQESA-N 0 0 312.196 4.881 10 0 DJAERN COc1ccc(C)cc1[C@H](C)Nc1cccc(Br)c1 ZINC000019941866 182167829 /nfs/dbraw/zinc/16/78/29/182167829.db2.gz FDAOZXFTWSNSIR-LBPRGKRZSA-N 0 0 320.230 4.939 10 0 DJAERN COc1cc(N[C@H]2C[C@@H](C)CC(C)(C)C2)c(OC)cc1Cl ZINC000020012458 182177581 /nfs/dbraw/zinc/17/75/81/182177581.db2.gz UZSHOHPJELNNJK-NEPJUHHUSA-N 0 0 311.853 4.984 10 0 DJAERN COc1cc(N[C@@H]2C[C@H](C)CC(C)(C)C2)c(OC)cc1Cl ZINC000020012461 182177791 /nfs/dbraw/zinc/17/77/91/182177791.db2.gz UZSHOHPJELNNJK-NWDGAFQWSA-N 0 0 311.853 4.984 10 0 DJAERN CCc1ccc(CNc2ccc(Br)cc2F)cc1 ZINC000020020026 182179026 /nfs/dbraw/zinc/17/90/26/182179026.db2.gz DUTYNWJXKZTPHY-UHFFFAOYSA-N 0 0 308.194 4.763 10 0 DJAERN COc1ccc(OC)c(CNc2cc(Cl)ccc2Cl)c1 ZINC000020020637 182179144 /nfs/dbraw/zinc/17/91/44/182179144.db2.gz OXXKDLMFAXGCLW-UHFFFAOYSA-N 0 0 312.196 4.623 10 0 DJAERN Clc1ccc(CNCc2nc3ccccc3s2)cc1Cl ZINC000020022106 182179529 /nfs/dbraw/zinc/17/95/29/182179529.db2.gz PXJCVGRHEQMRCN-UHFFFAOYSA-N 0 0 323.248 4.893 10 0 DJAERN Fc1cc(Br)ccc1NCc1ccc(Cl)s1 ZINC000020045300 182182826 /nfs/dbraw/zinc/18/28/26/182182826.db2.gz WOWLFOVGDAAZOI-UHFFFAOYSA-N 0 0 320.614 4.915 10 0 DJAERN C[C@@H](NCc1ccccc1Br)c1ccccc1Cl ZINC000020124116 182189919 /nfs/dbraw/zinc/18/99/19/182189919.db2.gz DEXIHVJLFTYEHS-LLVKDONJSA-N 0 0 324.649 4.953 10 0 DJAERN Cc1sc2ncnc(Nc3ccccc3OC(C)C)c2c1C ZINC000020161607 182194103 /nfs/dbraw/zinc/19/41/03/182194103.db2.gz DDZZCFNJNBTTBW-UHFFFAOYSA-N 0 0 313.426 4.839 10 0 DJAERN Brc1cccc(OCc2ccc3ncccc3c2)c1 ZINC000020248391 182200092 /nfs/dbraw/zinc/20/00/92/182200092.db2.gz ZPIYVRKVCOWAOO-UHFFFAOYSA-N 0 0 314.182 4.576 10 0 DJAERN c1csc(-c2[nH]c(-c3cccnc3)nc2-c2ccccc2)c1 ZINC000020868969 182250848 /nfs/dbraw/zinc/25/08/48/182250848.db2.gz UNEIKYIWMIZNBZ-UHFFFAOYSA-N 0 0 303.390 4.867 10 0 DJAERN CC[C@H](C)C(=O)Nc1ccc2nc(-c3ccccc3C)oc2c1 ZINC000021027943 182262451 /nfs/dbraw/zinc/26/24/51/182262451.db2.gz DJCOGPSMPVOQEZ-LBPRGKRZSA-N 0 0 308.381 4.788 10 0 DJAERN C[C@H](NC(=O)CCc1ccccc1Cl)c1cccc(Cl)c1 ZINC000023654234 182365482 /nfs/dbraw/zinc/36/54/82/182365482.db2.gz RVLOTXIYIULGDX-LBPRGKRZSA-N 0 0 322.235 4.803 10 0 DJAERN Oc1cc(O)cc(CNc2cc(Cl)c(Cl)c(Cl)c2)c1 ZINC000026670772 182449855 /nfs/dbraw/zinc/44/98/55/182449855.db2.gz QGZHCPQEYWKUPF-UHFFFAOYSA-N 0 0 318.587 4.670 10 0 DJAERN Cc1ccc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c(C)c1 ZINC000027413398 182471199 /nfs/dbraw/zinc/47/11/99/182471199.db2.gz KTHCZLSDJSAOPJ-INIZCTEOSA-N 0 0 303.405 4.948 10 0 DJAERN C=Cn1c2ccc3ccccc3c2nc1-c1ccc(OC)cc1 ZINC000027710112 182488042 /nfs/dbraw/zinc/48/80/42/182488042.db2.gz KGJPPBCQCUWJLS-UHFFFAOYSA-N 0 0 300.361 4.966 10 0 DJAERN Nc1cc(COc2ccc(Cl)cc2Cl)ccc1Cl ZINC000036964745 182855437 /nfs/dbraw/zinc/85/54/37/182855437.db2.gz MWDUUEMHMWFWOA-UHFFFAOYSA-N 0 0 302.588 4.808 10 0 DJAERN CCC[C@@H](C)c1noc(N)c1-c1ccc(Br)cc1 ZINC000036936672 182853736 /nfs/dbraw/zinc/85/37/36/182853736.db2.gz UEUYCVAHLCIDTB-SECBINFHSA-N 0 0 309.207 4.590 10 0 DJAERN CCc1ccc(CNc2cc(Br)ccc2F)cc1 ZINC000036751527 182840670 /nfs/dbraw/zinc/84/06/70/182840670.db2.gz MZHUMJDLPFIGSF-UHFFFAOYSA-N 0 0 308.194 4.763 10 0 DJAERN C[C@H]1CCCC[C@@H]1Nc1c2nsnc2c(Cl)cc1Cl ZINC000037129138 182868791 /nfs/dbraw/zinc/86/87/91/182868791.db2.gz FBYPSKZWBHOFDD-XVKPBYJWSA-N 0 0 316.257 4.989 10 0 DJAERN Fc1ccc2sc(Nc3cccc(Br)c3)nc2c1 ZINC000037206623 182872467 /nfs/dbraw/zinc/87/24/67/182872467.db2.gz SEBLIHNDWHXUFV-UHFFFAOYSA-N 0 0 323.190 4.942 10 0 DJAERN OCc1ccccc1NCc1sc2ccccc2c1Cl ZINC000038009198 182962105 /nfs/dbraw/zinc/96/21/05/182962105.db2.gz SZYMGTCGBBRAFD-UHFFFAOYSA-N 0 0 303.814 4.659 10 0 DJAERN C[C@@H](Nc1c(F)cccc1F)c1ccc(Br)s1 ZINC000038002177 182958504 /nfs/dbraw/zinc/95/85/04/182958504.db2.gz JTOGRVBCHDQRCZ-SSDOTTSWSA-N 0 0 318.186 4.962 10 0 DJAERN Cc1cc(Cl)c(CSc2ccc(O)cc2)c(Cl)n1 ZINC000038079134 182986600 /nfs/dbraw/zinc/98/66/00/182986600.db2.gz ABMUCINUIQVPAP-UHFFFAOYSA-N 0 0 300.210 4.695 10 0 DJAERN CCCCCOc1ccc(/C=C2\OC(=O)c3ccccc32)cc1 ZINC000038643917 183005522 /nfs/dbraw/zinc/00/55/22/183005522.db2.gz UEZGZBJAHOFZAQ-RGEXLXHISA-N 0 0 308.377 4.924 10 0 DJAERN O=Cc1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12 ZINC000038876267 183011951 /nfs/dbraw/zinc/01/19/51/183011951.db2.gz LTRRZJRQJBPBLI-UHFFFAOYSA-N 0 0 303.283 4.521 10 0 DJAERN Cc1oc(-c2ccccc2)nc1Cc1cc2cc(C=O)ccc2o1 ZINC000039091398 183013879 /nfs/dbraw/zinc/01/38/79/183013879.db2.gz IMOCMUWDPTYHTP-UHFFFAOYSA-N 0 0 317.344 4.800 10 0 DJAERN FC(F)(F)c1cccc2c(NCCc3ccccc3)ccnc21 ZINC000039963864 183025549 /nfs/dbraw/zinc/02/55/49/183025549.db2.gz KICVOXULRGPPFJ-UHFFFAOYSA-N 0 0 316.326 4.908 10 0 DJAERN FC(F)(F)c1cccc2c(NCc3ccccc3)ccnc21 ZINC000039963863 183025675 /nfs/dbraw/zinc/02/56/75/183025675.db2.gz NFAFRQXISPXDNC-UHFFFAOYSA-N 0 0 302.299 4.866 10 0 DJAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1ccccc1C ZINC000040178800 183044014 /nfs/dbraw/zinc/04/40/14/183044014.db2.gz YETYCPRGKFCSNI-UHFFFAOYSA-N 0 0 309.340 4.955 10 0 DJAERN Cc1cc(C)c2nc(C)cc(NC(=O)/C=C/c3cccs3)c2c1 ZINC000040177079 183044445 /nfs/dbraw/zinc/04/44/45/183044445.db2.gz OPKFFCBJTLVERX-VOTSOKGWSA-N 0 0 322.433 4.873 10 0 DJAERN Cc1cccc(Oc2ccc(C(=O)NC3CCCCC3)cc2)c1 ZINC000040178955 183044524 /nfs/dbraw/zinc/04/45/24/183044524.db2.gz YRVSKULOFOSSOT-UHFFFAOYSA-N 0 0 309.409 4.850 10 0 DJAERN Cc1nc2ccccc2n1CCCOc1ccccc1C(C)C ZINC000040224674 183046737 /nfs/dbraw/zinc/04/67/37/183046737.db2.gz RPJCKXVMINIFPE-UHFFFAOYSA-N 0 0 308.425 4.937 10 0 DJAERN Cc1ccccc1Cc1nc2ccccc2n1Cc1ccccc1 ZINC000040226399 183047640 /nfs/dbraw/zinc/04/76/40/183047640.db2.gz KUMSCOLLVBBUIM-UHFFFAOYSA-N 0 0 312.416 4.984 10 0 DJAERN Cc1cccc(C)c1OCCn1c2ccccc2nc1C(C)C ZINC000040231242 183047725 /nfs/dbraw/zinc/04/77/25/183047725.db2.gz TWHSBKRXRBRWMC-UHFFFAOYSA-N 0 0 308.425 4.856 10 0 DJAERN Cc1cc(C)cc(OCCn2c3ccccc3nc2C(C)C)c1 ZINC000040231259 183047998 /nfs/dbraw/zinc/04/79/98/183047998.db2.gz ZNTWIVJEOCGSCB-UHFFFAOYSA-N 0 0 308.425 4.856 10 0 DJAERN FC(F)(F)c1nc2ccccc2n1CCCc1ccccc1 ZINC000040231776 183048606 /nfs/dbraw/zinc/04/86/06/183048606.db2.gz JREAYUUDXOQBDH-UHFFFAOYSA-N 0 0 304.315 4.688 10 0 DJAERN Cc1ccccc1OCCn1c2ccccc2nc1C(C)(C)C ZINC000040239220 183048665 /nfs/dbraw/zinc/04/86/65/183048665.db2.gz PZJHCZCNDCNJJB-UHFFFAOYSA-N 0 0 308.425 4.721 10 0 DJAERN Clc1ccccc1Cn1c2ccccc2nc1-c1ccco1 ZINC000040238993 183048714 /nfs/dbraw/zinc/04/87/14/183048714.db2.gz DLYNWQUQWQTWKW-UHFFFAOYSA-N 0 0 308.768 4.998 10 0 DJAERN Cc1c(Cl)ccc2c(NC(=O)CCc3ccccc3)ccnc12 ZINC000040359187 183056012 /nfs/dbraw/zinc/05/60/12/183056012.db2.gz KFQCEFDSQUEWPR-UHFFFAOYSA-N 0 0 324.811 4.768 10 0 DJAERN CC[C@@H](Oc1ccccc1N)C(=O)c1cc(Cl)ccc1Cl ZINC000040352941 183056262 /nfs/dbraw/zinc/05/62/62/183056262.db2.gz KGQSPKGXTWWYSI-CQSZACIVSA-N 0 0 324.207 4.616 10 0 DJAERN Cc1c(Cl)ccc2c(NC(=O)c3ccccc3F)ccnc12 ZINC000040359177 183056319 /nfs/dbraw/zinc/05/63/19/183056319.db2.gz NYTTYOXXLKOZDE-UHFFFAOYSA-N 0 0 314.747 4.588 10 0 DJAERN CCOCCn1c2cc(Cl)ccc2nc1-c1ccccc1C ZINC000040405141 183062515 /nfs/dbraw/zinc/06/25/15/183062515.db2.gz MQSOFHGUOQPGHA-UHFFFAOYSA-N 0 0 314.816 4.702 10 0 DJAERN CCCn1c(COc2ccc(C)cc2)nc2cc(Cl)ccc21 ZINC000040417556 183063576 /nfs/dbraw/zinc/06/35/76/183063576.db2.gz DTNFJMRURSVJLA-UHFFFAOYSA-N 0 0 314.816 4.987 10 0 DJAERN Clc1ccc2nc(-c3ccco3)n(Cc3ccccc3)c2c1 ZINC000040417888 183063595 /nfs/dbraw/zinc/06/35/95/183063595.db2.gz YVQLMGURYLILRW-UHFFFAOYSA-N 0 0 308.768 4.998 10 0 DJAERN Cn1c(COc2cccc3ccccc32)nc2ccc(Cl)cc21 ZINC000040417089 183063615 /nfs/dbraw/zinc/06/36/15/183063615.db2.gz ITTURDLWYQBNKH-UHFFFAOYSA-N 0 0 322.795 4.959 10 0 DJAERN CCn1c(COc2cccc(C)c2)nc2cc(Cl)ccc21 ZINC000040417232 183063773 /nfs/dbraw/zinc/06/37/73/183063773.db2.gz VPVZDSQSJBKTFS-UHFFFAOYSA-N 0 0 300.789 4.597 10 0 DJAERN CC(C)n1c(COc2ccccc2Cl)nc2ccccc21 ZINC000040417271 183063808 /nfs/dbraw/zinc/06/38/08/183063808.db2.gz SHYCNOZXZYYICV-UHFFFAOYSA-N 0 0 300.789 4.850 10 0 DJAERN CCn1c(COc2ccc(C)cc2)nc2cc(Cl)ccc21 ZINC000040417233 183063835 /nfs/dbraw/zinc/06/38/35/183063835.db2.gz IMPGPXAFXFPFOK-UHFFFAOYSA-N 0 0 300.789 4.597 10 0 DJAERN CCOC(=O)c1c2cc(O)ccc2oc1-c1ccc(Cl)cc1 ZINC000040428121 183065332 /nfs/dbraw/zinc/06/53/32/183065332.db2.gz KRFARIMDRGVNBY-UHFFFAOYSA-N 0 0 316.740 4.636 10 0 DJAERN Cc1ccc(Oc2ncnc(Nc3cc(C)cc(C)c3)c2N)cc1 ZINC000040682130 183117266 /nfs/dbraw/zinc/11/72/66/183117266.db2.gz YTIOGIYWOJWKRB-UHFFFAOYSA-N 0 0 320.396 4.520 10 0 DJAERN CCCCC1CCC(C(=O)Nc2nc(C)c(C(C)=O)s2)CC1 ZINC000040949166 183150698 /nfs/dbraw/zinc/15/06/98/183150698.db2.gz MUFSLFICYMOYOY-UHFFFAOYSA-N 0 0 322.474 4.589 10 0 DJAERN CCCSc1nn2c(C)c(-c3ccc(Cl)cc3)nc2s1 ZINC000040965164 183152215 /nfs/dbraw/zinc/15/22/15/183152215.db2.gz GUCDQNMHJKSWGN-UHFFFAOYSA-N 0 0 323.874 4.922 10 0 DJAERN CCCSc1nn2cc(-c3ccccc3Cl)nc2s1 ZINC000040965198 183152260 /nfs/dbraw/zinc/15/22/60/183152260.db2.gz KSMISYMQBPQHQE-UHFFFAOYSA-N 0 0 309.847 4.613 10 0 DJAERN CCCSc1nn2c(C)c(-c3ccc(C)c(C)c3)nc2s1 ZINC000040965236 183152261 /nfs/dbraw/zinc/15/22/61/183152261.db2.gz ZGGAGNYCLPGXRF-UHFFFAOYSA-N 0 0 317.483 4.885 10 0 DJAERN CCCSc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000040965171 183152274 /nfs/dbraw/zinc/15/22/74/183152274.db2.gz XLCMMRZJZLUQKJ-UHFFFAOYSA-N 0 0 309.847 4.613 10 0 DJAERN CCOc1ccc2c(c1)sc1nc(-c3cccc(OC)c3)cn21 ZINC000040964358 183152282 /nfs/dbraw/zinc/15/22/82/183152282.db2.gz AXAJXJWWOXMASW-UHFFFAOYSA-N 0 0 324.405 4.623 10 0 DJAERN Cc1ccc(/C=C/C(=O)Nc2nc3c(ccc(C)c3C)s2)cc1 ZINC000040971214 183152736 /nfs/dbraw/zinc/15/27/36/183152736.db2.gz UYCTZNIOAHRWKJ-PKNBQFBNSA-N 0 0 322.433 4.873 10 0 DJAERN c1ccc(CCOc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000041005172 183154991 /nfs/dbraw/zinc/15/49/91/183154991.db2.gz AIJNXTQBIOGHII-UHFFFAOYSA-N 0 0 314.388 4.851 10 0 DJAERN O=C(Nc1ccnc2cc(C(F)(F)F)ccc21)c1ccccc1 ZINC000041057421 183160049 /nfs/dbraw/zinc/16/00/49/183160049.db2.gz LAXALFHOCFIQEV-UHFFFAOYSA-N 0 0 316.282 4.506 10 0 DJAERN CC(C)OC(=O)c1ccc(Nc2ccnc3ccccc32)cc1 ZINC000041055595 183160250 /nfs/dbraw/zinc/16/02/50/183160250.db2.gz USSKIOMDJAYSHN-UHFFFAOYSA-N 0 0 306.365 4.544 10 0 DJAERN O=C(Nc1ccnc2cc(C(F)(F)F)ccc21)c1cccs1 ZINC000041057373 183160368 /nfs/dbraw/zinc/16/03/68/183160368.db2.gz RJOXDRSQDDVNGN-UHFFFAOYSA-N 0 0 322.311 4.567 10 0 DJAERN O=C(/C=C/c1cccs1)Nc1ccnc2c(Cl)cccc12 ZINC000041057546 183161126 /nfs/dbraw/zinc/16/11/26/183161126.db2.gz IXHZCVAGFAUVPB-VOTSOKGWSA-N 0 0 314.797 4.602 10 0 DJAERN CC(C)c1ccc(C[C@H](CO)Cc2ccccc2Cl)cc1 ZINC000041516729 183196894 /nfs/dbraw/zinc/19/68/94/183196894.db2.gz XBHXVZHIISCQSH-INIZCTEOSA-N 0 0 302.845 4.857 10 0 DJAERN OC[C@H](Cc1ccc(F)cc1)Cc1ccc(Cl)cc1Cl ZINC000041564682 183203138 /nfs/dbraw/zinc/20/31/38/183203138.db2.gz GYGYLXCMEFRHTM-GFCCVEGCSA-N 0 0 313.199 4.526 10 0 DJAERN Fc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000041479904 183193872 /nfs/dbraw/zinc/19/38/72/183193872.db2.gz BFMYTGBBJKQNSX-UHFFFAOYSA-N 0 0 307.250 4.531 10 0 DJAERN Clc1cc(Cl)c2ncc(Cl)c(Br)c2c1 ZINC000041702069 183217438 /nfs/dbraw/zinc/21/74/38/183217438.db2.gz SMITZTKEZZYNKO-UHFFFAOYSA-N 0 0 311.393 4.958 10 0 DJAERN C[C@H](NC(=O)CC1CCCCC1)c1cccc(Br)c1 ZINC000042353061 183257174 /nfs/dbraw/zinc/25/71/74/183257174.db2.gz OYXIUHCKASZFAJ-LBPRGKRZSA-N 0 0 324.262 4.597 10 0 DJAERN Cc1ccc([C@@H](C)Nc2ccc(Br)cc2N)s1 ZINC000042599491 183289363 /nfs/dbraw/zinc/28/93/63/183289363.db2.gz WAHPKWXUNWEKRK-SECBINFHSA-N 0 0 311.248 4.574 10 0 DJAERN FC(F)(F)c1ccccc1-c1ncc(Br)s1 ZINC000044121598 183395142 /nfs/dbraw/zinc/39/51/42/183395142.db2.gz IMEPQPBRJGZCQF-UHFFFAOYSA-N 0 0 308.122 4.591 10 0 DJAERN Clc1ccccc1COCc1cccc(Br)c1 ZINC000049600955 183747526 /nfs/dbraw/zinc/74/75/26/183747526.db2.gz QOAJWELZPZPSBK-UHFFFAOYSA-N 0 0 311.606 4.819 10 0 DJAERN CCc1cccc(CC)c1NC[C@@H](O)c1ccc(Cl)cc1 ZINC000049913504 183762109 /nfs/dbraw/zinc/76/21/09/183762109.db2.gz FUSZQVFGAHDAQA-QGZVFWFLSA-N 0 0 303.833 4.610 10 0 DJAERN O=C1CCCc2nc(Cc3ccc(Cl)cc3Cl)sc21 ZINC000050329685 183782643 /nfs/dbraw/zinc/78/26/43/183782643.db2.gz WYIGYXRYRKWUHP-UHFFFAOYSA-N 0 0 312.221 4.560 10 0 DJAERN C[C@](O)(c1ccccc1F)c1cc(F)c(Cl)cc1Cl ZINC000052887877 183879134 /nfs/dbraw/zinc/87/91/34/183879134.db2.gz GSXMCNDASRXBAR-AWEZNQCLSA-N 0 0 303.135 4.527 10 0 DJAERN Cc1ccc(N)cc1N[C@H](C)c1ccc(Br)cc1 ZINC000053735335 183910992 /nfs/dbraw/zinc/91/09/92/183910992.db2.gz TYLLOGHEHYMJLN-LLVKDONJSA-N 0 0 305.219 4.513 10 0 DJAERN O[C@H](CCCc1ccccc1)c1ccccc1Br ZINC000053786644 183912589 /nfs/dbraw/zinc/91/25/89/183912589.db2.gz YCAYZCUOGMSTJP-MRXNPFEDSA-N 0 0 305.215 4.505 10 0 DJAERN Nc1ccc(-c2csc(Cc3c(F)cccc3Cl)n2)cc1 ZINC000057903230 184061706 /nfs/dbraw/zinc/06/17/06/184061706.db2.gz OSWFLUITVMUGFV-UHFFFAOYSA-N 0 0 318.804 4.776 10 0 DJAERN CCOC(=O)c1[nH]c2ccc(C)cc2c1-c1ccc(Cl)cc1 ZINC000058823777 184129531 /nfs/dbraw/zinc/12/95/31/184129531.db2.gz UCFGHRUWRPXHQJ-UHFFFAOYSA-N 0 0 313.784 4.973 10 0 DJAERN COC(C)(C)C[C@@H](C)Nc1cc(Br)ccc1Cl ZINC000061690832 184182732 /nfs/dbraw/zinc/18/27/32/184182732.db2.gz UMYMEJJENXWUMJ-SECBINFHSA-N 0 0 320.658 4.718 10 0 DJAERN Oc1cc(OC(F)(F)F)cc(-c2cc(F)cc(Cl)c2)c1 ZINC000065344241 184325915 /nfs/dbraw/zinc/32/59/15/184325915.db2.gz YBBZYJNZVZEMRY-UHFFFAOYSA-N 0 0 306.642 4.750 10 0 DJAERN O=C(NC1CCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000059895204 257128917 /nfs/dbraw/zinc/12/89/17/257128917.db2.gz OBNAMYYSIVDCBN-UHFFFAOYSA-N 0 0 321.420 4.858 10 0 DJAERN C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H]5S[C@H]5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000256968230 257103837 /nfs/dbraw/zinc/10/38/37/257103837.db2.gz UPLPHRJJTCUQAY-LSFCONBWSA-N 0 0 320.542 4.874 10 0 DJAERN FC(F)(F)[C@@]1(NCc2ccccc2)CCCc2ccccc21 ZINC000390721170 257260565 /nfs/dbraw/zinc/26/05/65/257260565.db2.gz BQWBEWNMXQCOMQ-QGZVFWFLSA-N 0 0 305.343 4.570 10 0 DJAERN Cc1ncc(CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)s1 ZINC000040443786 132140823 /nfs/dbraw/zinc/14/08/23/132140823.db2.gz LKWOVXOZNGCAOY-ZETCQYMHSA-N 0 0 319.232 4.748 10 0 DJAERN C[C@@H](Nc1ccc(C(F)(F)F)cn1)c1ccc(Cl)s1 ZINC000042373708 132152031 /nfs/dbraw/zinc/15/20/31/132152031.db2.gz PLTGOGIQUMTJFP-SSDOTTSWSA-N 0 0 306.740 4.988 10 0 DJAERN CCn1ccnc1CSCc1csc(C2CCCCC2)n1 ZINC000175285989 332885136 /nfs/dbraw/zinc/88/51/36/332885136.db2.gz NXKQLDKFLQKPGV-UHFFFAOYSA-N 0 0 321.515 4.841 10 0 DJAERN Cc1ccc([C@H](C)NC(=O)Nc2cccc(C(C)(F)F)c2)o1 ZINC000186992630 333383236 /nfs/dbraw/zinc/38/32/36/333383236.db2.gz FFFXFAYHLHUPFF-NSHDSACASA-N 0 0 308.328 4.582 10 0 DJAERN CC[C@@H](SCC(=O)Nc1ccccc1OC)c1ccccc1 ZINC000101585697 334332585 /nfs/dbraw/zinc/33/25/85/334332585.db2.gz OKQUKRNILNXCHH-QGZVFWFLSA-N 0 0 315.438 4.518 10 0 DJAERN Cc1noc(C)c1[C@@H](C)Cc1nc([C@H]2C[C@H](C)C[C@H](C)C2)no1 ZINC000329728829 336071220 /nfs/dbraw/zinc/07/12/20/336071220.db2.gz PBPKQSNGIKGKLM-OZTPJHRESA-N 0 0 317.433 4.560 10 0 DJAERN C[C@H](NC(=O)CC1=CCCCC1)c1cccc(Br)c1 ZINC000104102907 336244591 /nfs/dbraw/zinc/24/45/91/336244591.db2.gz WTYYCEBVYUGFEA-LBPRGKRZSA-N 0 0 322.246 4.517 10 0 DJAERN CSc1ccc(N[C@H](C)c2cc3cc(Cl)ccc3o2)nn1 ZINC000301261563 336297364 /nfs/dbraw/zinc/29/73/64/336297364.db2.gz GKJHQAVDYIOZDD-SECBINFHSA-N 0 0 319.817 4.771 10 0 DJAERN Cc1ccc([C@@H]2C[C@H](C)CCN2c2ncnc3sccc32)o1 ZINC000301413449 336305061 /nfs/dbraw/zinc/30/50/61/336305061.db2.gz AZBQYAPJLKEJLL-RISCZKNCSA-N 0 0 313.426 4.570 10 0 DJAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2c2ncnc3sccc32)o1 ZINC000301413447 336305121 /nfs/dbraw/zinc/30/51/21/336305121.db2.gz AZBQYAPJLKEJLL-FZMZJTMJSA-N 0 0 313.426 4.570 10 0 DJAERN FC(F)(F)c1ccnc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000301509283 336311324 /nfs/dbraw/zinc/31/13/24/336311324.db2.gz DQLURHSVQTWBPE-WCBMZHEXSA-N 0 0 312.257 4.633 10 0 DJAERN CC(C)(C)[C@H](Nc1ncnc2sccc21)c1cccs1 ZINC000301560272 336314931 /nfs/dbraw/zinc/31/49/31/336314931.db2.gz KCETVQFTGKJAQT-GFCCVEGCSA-N 0 0 303.456 4.952 10 0 DJAERN C[C@@H](Nc1nc(C(F)(F)F)cs1)c1ccc(F)c(F)c1 ZINC000301707185 336324743 /nfs/dbraw/zinc/32/47/43/336324743.db2.gz BZOZTNHHDZCQEV-ZCFIWIBFSA-N 0 0 308.275 4.613 10 0 DJAERN Cc1nc(CNc2ccnc3cc(Cl)ccc32)c(C)s1 ZINC000301857106 336334531 /nfs/dbraw/zinc/33/45/31/336334531.db2.gz ZNKYZFHDOMUTEP-UHFFFAOYSA-N 0 0 303.818 4.574 10 0 DJAERN FC(F)(F)[C@@H]1CCC[C@@H](Nc2cc(Cl)nc(C3CC3)n2)C1 ZINC000301915971 336337925 /nfs/dbraw/zinc/33/79/25/336337925.db2.gz IZJIJHPQAXTFJO-NXEZZACHSA-N 0 0 319.758 4.540 10 0 DJAERN CC(C)c1cc(Oc2ccc3c(c2)CCC3=O)nc(C(C)C)n1 ZINC000302514135 336360505 /nfs/dbraw/zinc/36/05/05/336360505.db2.gz GWXVMRNGPKBBLJ-UHFFFAOYSA-N 0 0 310.397 4.645 10 0 DJAERN CC(C)c1nc([C@@H](C)Nc2ncc(C(F)(F)F)s2)cs1 ZINC000302720941 336366464 /nfs/dbraw/zinc/36/64/64/336366464.db2.gz HLDYFZNKPMMPFZ-SSDOTTSWSA-N 0 0 321.393 4.915 10 0 DJAERN CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2CCCc3cccnc32)cc1 ZINC000193852955 337079564 /nfs/dbraw/zinc/07/95/64/337079564.db2.gz CDYYWQXUAFFKDQ-DNVCBOLYSA-N 0 0 322.452 4.502 10 0 DJAERN O=C(CCCC1CCCC1)N1CCCC[C@@H]1c1nccs1 ZINC000173053363 337133278 /nfs/dbraw/zinc/13/32/78/337133278.db2.gz WYYPZOQGLCGXKQ-OAHLLOKOSA-N 0 0 306.475 4.557 10 0 DJAERN C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1ccc(F)c(F)c1 ZINC000173381938 337134967 /nfs/dbraw/zinc/13/49/67/337134967.db2.gz UBJJUGHVTBRGPL-VBKZILBWSA-N 0 0 324.374 4.800 10 0 DJAERN O=C1CCCc2cc(N[C@@H](c3ccccc3)C3CC3)ccc2N1 ZINC000179816518 337171968 /nfs/dbraw/zinc/17/19/68/337171968.db2.gz NUJQHMOURFCSQG-FQEVSTJZSA-N 0 0 306.409 4.525 10 0 DJAERN Cc1coc(-c2ccc(C)c(N[C@@H](C)c3cncc(F)c3)c2)n1 ZINC000180035713 337173269 /nfs/dbraw/zinc/17/32/69/337173269.db2.gz AYHZZQCRGMJYKN-ZDUSSCGKSA-N 0 0 311.360 4.666 10 0 DJAERN CCCCC[C@@H](CC)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000180352060 337173773 /nfs/dbraw/zinc/17/37/73/337173773.db2.gz CGTOKGRZVGIQHB-HUUCEWRRSA-N 0 0 308.491 4.803 10 0 DJAERN CCCCC[C@@H](CC)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000180352092 337173791 /nfs/dbraw/zinc/17/37/91/337173791.db2.gz CGTOKGRZVGIQHB-CABCVRRESA-N 0 0 308.491 4.803 10 0 DJAERN c1cc(Oc2ccccc2)oc1CN[C@@H]1CCOc2ccccc21 ZINC000180763998 337177788 /nfs/dbraw/zinc/17/77/88/337177788.db2.gz JRMMLSXETQNKMN-GOSISDBHSA-N 0 0 321.376 4.685 10 0 DJAERN C[C@@H](NCc1ncc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000181352295 337181612 /nfs/dbraw/zinc/18/16/12/337181612.db2.gz HGSRGOJUNWOCLM-CYBMUJFWSA-N 0 0 312.800 4.846 10 0 DJAERN CC(C)c1cnc(CN[C@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000183914539 337195537 /nfs/dbraw/zinc/19/55/37/337195537.db2.gz ZHNHZXDDORDZMZ-AWEZNQCLSA-N 0 0 316.470 4.659 10 0 DJAERN CC[C@@H](NCc1ncc(-c2ccccc2F)o1)c1cccs1 ZINC000184066683 337195883 /nfs/dbraw/zinc/19/58/83/337195883.db2.gz MIYDKVZFAALJHQ-CQSZACIVSA-N 0 0 316.401 4.783 10 0 DJAERN C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(Cl)cc1 ZINC000185825469 337250595 /nfs/dbraw/zinc/25/05/95/337250595.db2.gz MZJITWUTLDDPJM-CQSZACIVSA-N 0 0 323.827 4.648 10 0 DJAERN CC(C)[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccccc1 ZINC000186059506 337253178 /nfs/dbraw/zinc/25/31/78/337253178.db2.gz CSJFVMUBUBMAAG-OAQYLSRUSA-N 0 0 317.436 4.631 10 0 DJAERN CC[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(C)cc1 ZINC000186063693 337253305 /nfs/dbraw/zinc/25/33/05/337253305.db2.gz NQPISPBMVLHFSH-FQEVSTJZSA-N 0 0 317.436 4.693 10 0 DJAERN CCCCCC[C@H](C)C(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187026706 337261224 /nfs/dbraw/zinc/26/12/24/337261224.db2.gz GJRDIFANNDKPNG-BBRMVZONSA-N 0 0 308.491 4.722 10 0 DJAERN Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000192679576 337306807 /nfs/dbraw/zinc/30/68/07/337306807.db2.gz HJMPVZMGJVUAKW-QGZVFWFLSA-N 0 0 308.425 4.572 10 0 DJAERN O[C@H](c1ccc(-c2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000584612652 337372357 /nfs/dbraw/zinc/37/23/57/337372357.db2.gz VFKNUDOEWJPFCP-CYBMUJFWSA-N 0 0 301.600 4.757 10 0 DJAERN CC(=O)CCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000584624443 337375270 /nfs/dbraw/zinc/37/52/70/337375270.db2.gz JJINEONCRLVOBJ-UHFFFAOYSA-N 0 0 303.814 4.922 10 0 DJAERN O[C@H](c1ccccc1Cl)[C@H](c1ccccc1)c1ccccn1 ZINC000584629426 337376435 /nfs/dbraw/zinc/37/64/35/337376435.db2.gz HXQBKTRGPKHYTM-RTBURBONSA-N 0 0 309.796 4.601 10 0 DJAERN Cc1ccc([C@@H]2Nc3ccccc3[C@H](c3ccccc3)N2)s1 ZINC000584656649 337378136 /nfs/dbraw/zinc/37/81/36/337378136.db2.gz XNLLGKYAUMHNJT-RBUKOAKNSA-N 0 0 306.434 4.860 10 0 DJAERN CCOC(=O)c1cc2cc(C)cc3cc(-c4ccc(C)cc4)c1n23 ZINC000584661265 337378351 /nfs/dbraw/zinc/37/83/51/337378351.db2.gz OTFDZVUFBBNLKB-UHFFFAOYSA-N 0 0 317.388 4.991 10 0 DJAERN Clc1ccc([C@@H]2c3ccccc3-c3nccn32)cc1Cl ZINC000584639049 337379672 /nfs/dbraw/zinc/37/96/72/337379672.db2.gz WTUCWHNAKUZGRB-OAHLLOKOSA-N 0 0 301.176 4.808 10 0 DJAERN O=Cc1ccc(OCCCCCc2ccccc2)c2ncccc12 ZINC000584639309 337379859 /nfs/dbraw/zinc/37/98/59/337379859.db2.gz NFRXAIGFSPTRQT-UHFFFAOYSA-N 0 0 319.404 4.839 10 0 DJAERN O=Cc1ccc(OCCCCCc2ccccc2)c2cccnc12 ZINC000584640609 337380000 /nfs/dbraw/zinc/38/00/00/337380000.db2.gz HUWHLBYCPDCHNI-UHFFFAOYSA-N 0 0 319.404 4.839 10 0 DJAERN Cc1ccc(-c2cnc3nc(-c4cccnc4)sc3c2)cc1 ZINC000584648416 337380426 /nfs/dbraw/zinc/38/04/26/337380426.db2.gz JDBVQEBIGZNAIN-UHFFFAOYSA-N 0 0 303.390 4.729 10 0 DJAERN CC(C)(C)c1ccccc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116476243 337392645 /nfs/dbraw/zinc/39/26/45/337392645.db2.gz DZSARPOJDNLETL-INIZCTEOSA-N 0 0 312.413 4.946 10 0 DJAERN Cc1csc(C2CCN(C(=O)CC3(C)CCCCC3)CC2)n1 ZINC000126758109 337417708 /nfs/dbraw/zinc/41/77/08/337417708.db2.gz WIZDOIJXDZZWRO-UHFFFAOYSA-N 0 0 320.502 4.518 10 0 DJAERN C[C@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)c1cccnc1 ZINC000035790810 337745530 /nfs/dbraw/zinc/74/55/30/337745530.db2.gz CFDSEEFULGAEPR-UWVGGRQHSA-N 0 0 313.203 4.939 10 0 DJAERN C[C@@H](N[C@@H](C)c1ccccn1)c1c(Cl)ccc(F)c1Cl ZINC000035790705 337745679 /nfs/dbraw/zinc/74/56/79/337745679.db2.gz DHCGCRZOWGCLFU-VHSXEESVSA-N 0 0 313.203 4.939 10 0 DJAERN Cc1nc(-c2cccc(N[C@H](C)c3cncs3)c2)cs1 ZINC000165001834 339052722 /nfs/dbraw/zinc/05/27/22/339052722.db2.gz ONDBOTHMEXBJFW-SNVBAGLBSA-N 0 0 301.440 4.748 10 0 DJAERN Cc1csc([C@@H]2CCCN(C(=O)CCC3CCCCC3)C2)n1 ZINC000173062684 340357088 /nfs/dbraw/zinc/35/70/88/340357088.db2.gz OKBIWRQHSCPDOM-MRXNPFEDSA-N 0 0 320.502 4.518 10 0 DJAERN CCCC[C@H](CC)CC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173074139 340357583 /nfs/dbraw/zinc/35/75/83/340357583.db2.gz LRMDWEZJAQJRQH-HOTGVXAUSA-N 0 0 322.518 4.764 10 0 DJAERN CCc1ccc([C@H]2CCCCN2C(=O)Nc2ccccc2F)o1 ZINC000173199389 340360074 /nfs/dbraw/zinc/36/00/74/340360074.db2.gz OPPZODULWFCSQG-MRXNPFEDSA-N 0 0 316.376 4.740 10 0 DJAERN CCc1ccc([C@@H]2CCCCN2C(=O)Nc2ccccc2F)o1 ZINC000173199375 340360117 /nfs/dbraw/zinc/36/01/17/340360117.db2.gz OPPZODULWFCSQG-INIZCTEOSA-N 0 0 316.376 4.740 10 0 DJAERN O=C(C1CCC(c2ccccc2)CC1)N1CCC[C@@H]1c1ccco1 ZINC000173509291 340366462 /nfs/dbraw/zinc/36/64/62/340366462.db2.gz RJMXWCGFYGQPJU-CTWPCTMYSA-N 0 0 323.436 4.917 10 0 DJAERN O=C(C1CCC(c2ccccc2)CC1)N1CCC[C@H]1c1ccco1 ZINC000173509303 340366500 /nfs/dbraw/zinc/36/65/00/340366500.db2.gz RJMXWCGFYGQPJU-ACBHZAAOSA-N 0 0 323.436 4.917 10 0 DJAERN Cc1ccc([C@H](C)Nc2cncc(Br)c2)c(C)c1 ZINC000305093744 340375593 /nfs/dbraw/zinc/37/55/93/340375593.db2.gz YRALFBKTVUPLKI-LBPRGKRZSA-N 0 0 305.219 4.634 10 0 DJAERN CC(C)CCC[C@H](C)NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176133381 340425353 /nfs/dbraw/zinc/42/53/53/340425353.db2.gz XJJBKUJHFWQZKI-GJZGRUSLSA-N 0 0 323.506 4.595 10 0 DJAERN Cc1cccc(NC(=O)N2CCCC[C@@H]2c2nccs2)c1C ZINC000176247535 340425919 /nfs/dbraw/zinc/42/59/19/340425919.db2.gz CCLRLCXMSPCNAH-OAHLLOKOSA-N 0 0 315.442 4.519 10 0 DJAERN Cc1cncc([C@@H](C)N[C@H](C)c2ccccc2Br)c1 ZINC000184248089 340491576 /nfs/dbraw/zinc/49/15/76/340491576.db2.gz HWLUQFSOTKGWHR-CHWSQXEVSA-N 0 0 319.246 4.564 10 0 DJAERN CC(C)C[C@@H](C)C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000184530694 340493594 /nfs/dbraw/zinc/49/35/94/340493594.db2.gz SFNWQRODDSSFJA-CABCVRRESA-N 0 0 322.518 4.655 10 0 DJAERN Cc1cnc([C@@H](C)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)o1 ZINC000220914040 340519851 /nfs/dbraw/zinc/51/98/51/340519851.db2.gz SLWSLQUBMNZXAO-DTWKUNHWSA-N 0 0 317.191 4.841 10 0 DJAERN Cc1c([C@H](C)Nc2ccc(C(F)(F)F)cc2)cnn1C(C)C ZINC000191466641 340554497 /nfs/dbraw/zinc/55/44/97/340554497.db2.gz LNFKRDMLKZCVNX-NSHDSACASA-N 0 0 311.351 4.964 10 0 DJAERN Cc1ccc([C@H](C)NCc2cc(F)cc(C(F)(F)F)c2)o1 ZINC000129425120 340959957 /nfs/dbraw/zinc/95/99/57/340959957.db2.gz QAIOCURJNZBSNN-JTQLQIEISA-N 0 0 301.283 4.597 10 0 DJAERN O=C(Nc1ccc2c(c1)CCCN2)c1c(Cl)cccc1Cl ZINC000071214766 341025755 /nfs/dbraw/zinc/02/57/55/341025755.db2.gz JYGYQRMJOQZEHM-UHFFFAOYSA-N 0 0 321.207 4.604 10 0 DJAERN Cc1cccnc1CN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000071339363 341030326 /nfs/dbraw/zinc/03/03/26/341030326.db2.gz KWWQWRQFSMYPJR-JTQLQIEISA-N 0 0 313.203 4.687 10 0 DJAERN Cn1c(CSc2ccc(-c3ccccc3)cc2)nnc1C1CC1 ZINC000130649873 341036816 /nfs/dbraw/zinc/03/68/16/341036816.db2.gz OQWXDEILARYZQH-UHFFFAOYSA-N 0 0 321.449 4.652 10 0 DJAERN Cc1cccc(Cl)c1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000132318602 341120513 /nfs/dbraw/zinc/12/05/13/341120513.db2.gz XYVKWGABOOCTSS-ZDUSSCGKSA-N 0 0 304.777 4.610 10 0 DJAERN Cc1ccc([C@H]2CCCCN2Cc2csc(C3CC3)n2)o1 ZINC000135597238 341242634 /nfs/dbraw/zinc/24/26/34/341242634.db2.gz PMXDLDVJUXMCMK-OAHLLOKOSA-N 0 0 302.443 4.649 10 0 DJAERN Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000248627254 341381846 /nfs/dbraw/zinc/38/18/46/341381846.db2.gz ZCWVGMGQWOVWSX-HFTRVMKXSA-N 0 0 314.473 4.516 10 0 DJAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)[C@@H](C)c2cccnc2)cc1 ZINC000130441304 519839425 /nfs/dbraw/zinc/83/94/25/519839425.db2.gz QCSOICMGYJZYRE-YSSFQJQWSA-N 0 0 322.452 4.528 10 0 DJAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)[C@@H](C)c2ccccn2)cc1 ZINC000130404969 519839613 /nfs/dbraw/zinc/83/96/13/519839613.db2.gz SHYQHLPXZCNQQV-ZYSHUDEJSA-N 0 0 322.452 4.528 10 0 DJAERN CC[C@@H](N[C@H](c1nc(C2CC2)no1)C(C)C)c1cccc(F)c1 ZINC000188198990 522945282 /nfs/dbraw/zinc/94/52/82/522945282.db2.gz BKHBZJCCZDSGMI-CVEARBPZSA-N 0 0 317.408 4.524 10 0 DJAERN CC[C@@H](N[C@H](c1nc(C2CC2)no1)C(C)C)c1ccccc1F ZINC000180897319 522945424 /nfs/dbraw/zinc/94/54/24/522945424.db2.gz HELWSVLGWDJXDY-CVEARBPZSA-N 0 0 317.408 4.524 10 0 DJAERN CC[C@@]1(C)Cc2ccccc2N(c2cnc3ccccc3c2)C1=O ZINC000090414993 523728895 /nfs/dbraw/zinc/72/88/95/523728895.db2.gz GRLOLUDFJFRJFA-NRFANRHFSA-N 0 0 316.404 4.872 10 0 DJAERN CCc1ccc([C@H]2CCCCN2C(=O)CCc2ccsc2)o1 ZINC000128474461 524053370 /nfs/dbraw/zinc/05/33/70/524053370.db2.gz POVCVLQXFUURBL-MRXNPFEDSA-N 0 0 317.454 4.590 10 0 DJAERN Cc1cccc([S@](=O)[C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000157095833 524910629 /nfs/dbraw/zinc/91/06/29/524910629.db2.gz KRJBEFBNDMDQQO-FPTDNZKUSA-N 0 0 311.406 4.519 10 0 DJAERN Cc1ccc([C@@H](C)NCc2nc3cc(C(F)(F)F)ccc3o2)o1 ZINC000182585864 525736720 /nfs/dbraw/zinc/73/67/20/525736720.db2.gz JURGOAZTXMQHFH-SNVBAGLBSA-N 0 0 324.302 4.599 10 0 DJAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2cc(F)ccc2F)o1 ZINC000153358996 525993726 /nfs/dbraw/zinc/99/37/26/525993726.db2.gz YARDFFYRJMXMCL-OAHLLOKOSA-N 0 0 320.339 4.625 10 0 DJAERN Clc1ccc(-c2noc(NCc3ccccc3Cl)n2)cc1 ZINC000057354148 526937731 /nfs/dbraw/zinc/93/77/31/526937731.db2.gz QYJADOAPJKWLSK-UHFFFAOYSA-N 0 0 320.179 4.656 10 0 DJAERN CC(C)n1cc(C(F)F)c(-c2cccc(Br)c2)n1 ZINC000725270074 563575700 /nfs/dbraw/zinc/57/57/00/563575700.db2.gz GWYUKAIUFPZEJE-UHFFFAOYSA-N 0 0 315.161 4.831 10 0 DJAERN CCOC(=O)c1c(CC)c2cc(Cl)ccc2nc1C1CC1 ZINC000536954692 563889816 /nfs/dbraw/zinc/88/98/16/563889816.db2.gz XUVZGASJVZTMPG-UHFFFAOYSA-N 0 0 303.789 4.505 10 0 DJAERN O=[P@@]1(c2ccccc2)CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000001644629 563289234 /nfs/dbraw/zinc/28/92/34/563289234.db2.gz NCICHKYIOOAHNX-NRFANRHFSA-N 0 0 315.740 4.566 10 0 DJAERN O=C(NC1CCCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007951048 563343195 /nfs/dbraw/zinc/34/31/95/563343195.db2.gz PTSPFVFAYKDUJQ-UHFFFAOYSA-N 0 0 324.207 4.926 10 0 DJAERN CC[C@@H]1Cn2c(=O)c(-c3ccccc3)cc3cccc(c32)S1 ZINC000032918958 563444382 /nfs/dbraw/zinc/44/43/82/563444382.db2.gz FDWKXBXQIOXNPM-OAHLLOKOSA-N 0 0 307.418 4.553 10 0 DJAERN CC(C)[C@H]1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1 ZINC000725265575 563571328 /nfs/dbraw/zinc/57/13/28/563571328.db2.gz KJAAVISVXMDVOF-LBPRGKRZSA-N 0 0 319.246 4.600 10 0 DJAERN CCn1cc(C(F)F)c(-c2cc(Br)c(C)s2)n1 ZINC000725270795 563576034 /nfs/dbraw/zinc/57/60/34/563576034.db2.gz TWWWKYBXLIECJO-UHFFFAOYSA-N 0 0 321.190 4.640 10 0 DJAERN O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)NC1CCCC1 ZINC000048534137 563698659 /nfs/dbraw/zinc/69/86/59/563698659.db2.gz IKGJQOKIZQFCBQ-PKNBQFBNSA-N 0 0 315.800 4.672 10 0 DJAERN COc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1Cl ZINC000048534383 563698768 /nfs/dbraw/zinc/69/87/68/563698768.db2.gz GEBCXPJGJCAVPP-VQHVLOKHSA-N 0 0 322.191 4.654 10 0 DJAERN O=C(C1CCCCC1)C1CCC(OCc2ccccc2)CC1 ZINC000035636531 563872968 /nfs/dbraw/zinc/87/29/68/563872968.db2.gz LOOMVWCDSXMACW-UHFFFAOYSA-N 0 0 300.442 4.911 10 0 in-vitro DJAERN FC(F)(F)c1cc(-c2ccccc2)nc2nc3ccccc3n21 ZINC000002654167 563940265 /nfs/dbraw/zinc/94/02/65/563940265.db2.gz CVSBTVBLZOGVDD-UHFFFAOYSA-N 0 0 313.282 4.568 10 0 DJAERN Clc1ccccc1-c1noc2c1cccc2Br ZINC000095803788 185384160 /nfs/dbraw/zinc/38/41/60/185384160.db2.gz YCMMJVARAOVMIS-UHFFFAOYSA-N 0 0 308.562 4.911 10 0 DJAERN O=C(c1ccccc1)c1ccc(Br)c2ccccc12 ZINC000083165681 185215551 /nfs/dbraw/zinc/21/55/51/185215551.db2.gz ZFEDKMNUDPTIOY-UHFFFAOYSA-N 0 0 311.178 4.833 10 0 DJAERN CC1(C)Cc2cc(F)ccc2N(c2cnc3ccccc3c2)C1=O ZINC000090558467 185303062 /nfs/dbraw/zinc/30/30/62/185303062.db2.gz SVEHQBYBYCTIEN-UHFFFAOYSA-N 0 0 320.367 4.621 10 0 DJAERN COc1cccc2occ(/C=C/c3ccc(Cl)cc3)c(=O)c12 ZINC000090554937 185303293 /nfs/dbraw/zinc/30/32/93/185303293.db2.gz ASOYPCOIZRSEQT-VMPITWQZSA-N 0 0 312.752 4.625 10 0 DJAERN O=c1cc(-c2ccncc2)oc2ccc(-c3ccsc3)cc12 ZINC000090649594 185308028 /nfs/dbraw/zinc/30/80/28/185308028.db2.gz SURCLVDERZXKOO-UHFFFAOYSA-N 0 0 305.358 4.584 10 0 DJAERN Cc1cccc2c1nc(-c1cccc(-c3ccccc3)c1)[nH]c2=O ZINC000095465708 185371678 /nfs/dbraw/zinc/37/16/78/185371678.db2.gz WXELMVYJDRDSGU-UHFFFAOYSA-N 0 0 312.372 4.566 10 0 DJAERN CCCOc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000070133638 190861498 /nfs/dbraw/zinc/86/14/98/190861498.db2.gz IYPRXCNLZGOEAY-UHFFFAOYSA-N 0 0 321.214 4.817 10 0 DJAERN Clc1ccc([C@@H](c2cncnc2)c2ccccc2Cl)cc1 ZINC000072101961 191037162 /nfs/dbraw/zinc/03/71/62/191037162.db2.gz YADNTCMCRQXRRP-KRWDZBQOSA-N 0 0 315.203 4.964 10 0 DJAERN FC(F)(F)c1ccccc1-c1ncsc1Br ZINC000072192150 191073596 /nfs/dbraw/zinc/07/35/96/191073596.db2.gz BPYOETUNIJETAL-UHFFFAOYSA-N 0 0 308.122 4.591 10 0 DJAERN c1ccc(-c2ccc(-c3ccnc(N4CCCCC4)n3)cc2)cc1 ZINC000072443336 191166966 /nfs/dbraw/zinc/16/69/66/191166966.db2.gz MWTONAMZADOWIL-UHFFFAOYSA-N 0 0 315.420 4.801 10 0 DJAERN Cc1cc2c(nc(C)nc2Nc2ccc(F)c(Cl)c2)s1 ZINC000000224142 180731861 /nfs/dbraw/zinc/73/18/61/180731861.db2.gz YSNCYTMYQLUFIY-UHFFFAOYSA-N 0 0 307.781 4.844 10 0 DJAERN Cc1ccc2c(CC(=O)Oc3ccc(Cl)cc3)coc2c1 ZINC000003550250 181033607 /nfs/dbraw/zinc/03/36/07/181033607.db2.gz KPPDDOKLSIVKTH-UHFFFAOYSA-N 0 0 300.741 4.543 10 0 DJAERN O=c1[nH]cc(-c2ccc(-c3ccccc3)cc2)c2c(O)cccc12 ZINC000003819957 181046875 /nfs/dbraw/zinc/04/68/75/181046875.db2.gz DIHNZTLSCIDPQW-UHFFFAOYSA-N 0 0 313.356 4.568 10 0 DJAERN Cc1cccc(CSc2nnc(C(C)C)n2-c2ccccc2)c1 ZINC000004184787 181083340 /nfs/dbraw/zinc/08/33/40/181083340.db2.gz NSLPCLWBXNTUMA-UHFFFAOYSA-N 0 0 323.465 4.991 10 0 DJAERN C[C@H](NC(=O)N[C@H]1CCC[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000078519869 191877508 /nfs/dbraw/zinc/87/75/08/191877508.db2.gz HFPNOVVQLYLFLT-BFVZDQMLSA-N 0 0 315.244 4.542 10 0 DJAERN CCN(CC)c1ccc2nc(-c3ccccc3Cl)oc2c1 ZINC000005311889 181228520 /nfs/dbraw/zinc/22/85/20/181228520.db2.gz BWYNLJOYDCTAOO-UHFFFAOYSA-N 0 0 300.789 4.994 10 0 DJAERN CNc1ccc([C@H](c2ccccc2)[C@H](O)c2ccc(C)cc2)cc1 ZINC000005330886 181230103 /nfs/dbraw/zinc/23/01/03/181230103.db2.gz CLKPGMFWAJECHU-FCHUYYIVSA-N 0 0 317.432 4.902 10 0 DJAERN Cc1c(C(=O)c2c(C)n(C)c3ccccc32)c2ccccc2n1C ZINC000005330513 181230299 /nfs/dbraw/zinc/23/02/99/181230299.db2.gz UHHGAOODUZTKNC-UHFFFAOYSA-N 0 0 316.404 4.518 10 0 DJAERN CCO[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000005334930 181230760 /nfs/dbraw/zinc/23/07/60/181230760.db2.gz FJEWLAAFQGYJJT-INIZCTEOSA-N 0 0 309.192 4.954 10 0 DJAERN Clc1ccc([C@H](c2ccccc2)n2nnc3ccccc32)cc1 ZINC000005487628 181249383 /nfs/dbraw/zinc/24/93/83/181249383.db2.gz BFJGEQFEOIWSRI-IBGZPJMESA-N 0 0 319.795 4.722 10 0 DJAERN CCOc1ccc(/C=C/C(=O)Oc2ccc(C(C)C)cc2)cc1 ZINC000005713150 181275169 /nfs/dbraw/zinc/27/51/69/181275169.db2.gz PQFLTQIHGYSEFD-VGOFMYFVSA-N 0 0 310.393 4.828 10 0 DJAERN Cc1cc(Cl)ccc1OC(=O)/C=C/c1ccccc1Cl ZINC000005697850 181273533 /nfs/dbraw/zinc/27/35/33/181273533.db2.gz USNJGWHXERYZQW-RMKNXTFCSA-N 0 0 307.176 4.921 10 0 DJAERN Cc1cccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 ZINC000005755495 181280581 /nfs/dbraw/zinc/28/05/81/181280581.db2.gz XYPIIKLMVAJECA-CMDGGOBGSA-N 0 0 305.299 4.666 10 0 DJAERN O[C@H](CCCc1ccccc1)c1ccc(Br)cc1 ZINC000005773333 181282917 /nfs/dbraw/zinc/28/29/17/181282917.db2.gz XHGSPDNHFAHKFY-MRXNPFEDSA-N 0 0 305.215 4.505 10 0 DJAERN CCCC[C@H](CC)COC(=O)c1nc(Cl)ccc1Cl ZINC000005822125 181287142 /nfs/dbraw/zinc/28/71/42/181287142.db2.gz BOOFNDJFNWCPQD-JTQLQIEISA-N 0 0 304.217 4.762 10 0 DJAERN Cc1ccc(OCCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000006152138 181316587 /nfs/dbraw/zinc/31/65/87/181316587.db2.gz RNUSMXFGEFYKFN-UHFFFAOYSA-N 0 0 324.207 4.709 10 0 DJAERN CC[C@H](C)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000006308277 181328523 /nfs/dbraw/zinc/32/85/23/181328523.db2.gz VRQSDYYRJJLOFU-MARXPDLDSA-N 0 0 323.392 4.581 10 0 DJAERN CC[C@H](C)c1ccccc1NC(=O)COc1c(C)cccc1C ZINC000006308089 181328666 /nfs/dbraw/zinc/32/86/66/181328666.db2.gz WSUWKJHYZAQHOZ-AWEZNQCLSA-N 0 0 311.425 4.834 10 0 DJAERN Clc1ccc2c(c1)nc(-c1cccs1)nc2N1CCCC1 ZINC000006766385 181385668 /nfs/dbraw/zinc/38/56/68/181385668.db2.gz GYAKVBMXMATBBR-UHFFFAOYSA-N 0 0 315.829 4.612 10 0 DJAERN Fc1c(F)c(Cl)c(F)c(C(Cl)(Cl)Cl)c1F ZINC000091251908 193026957 /nfs/dbraw/zinc/02/69/57/193026957.db2.gz LNJXSJZLVHLIAH-UHFFFAOYSA-N 0 0 301.881 4.723 10 0 DJAERN CC1=C(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)C1 ZINC000091690805 193091001 /nfs/dbraw/zinc/09/10/01/193091001.db2.gz NZNBCNDDDUZQPM-UHFFFAOYSA-N 0 0 307.821 4.754 10 0 DJAERN CC(C)COc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000007650132 181482412 /nfs/dbraw/zinc/48/24/12/181482412.db2.gz WIORTUUBXXDSFU-UHFFFAOYSA-N 0 0 303.789 4.627 10 0 DJAERN Brc1ccc2nccc(OCc3ccccc3)c2c1 ZINC000095930679 193450049 /nfs/dbraw/zinc/45/00/49/193450049.db2.gz SAWUJQBNIGYJHC-UHFFFAOYSA-N 0 0 314.182 4.576 10 0 DJAERN CCc1ccc(O[C@H](C)C(=O)Nc2cccc3ccccc32)cc1 ZINC000008106134 181526972 /nfs/dbraw/zinc/52/69/72/181526972.db2.gz DLZNICDLTIRSSL-OAHLLOKOSA-N 0 0 319.404 4.808 10 0 DJAERN Cc1cc(-c2csc(N)n2)c(C)n1Cc1ccc(Cl)cc1 ZINC000009330672 181614863 /nfs/dbraw/zinc/61/48/63/181614863.db2.gz SLRRNFKTLWCZLT-UHFFFAOYSA-N 0 0 317.845 4.512 10 0 DJAERN Cc1ccc(SCCCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000009473912 181623453 /nfs/dbraw/zinc/62/34/53/181623453.db2.gz YAFLKSAIAWXOJO-UHFFFAOYSA-N 0 0 321.392 4.784 10 0 DJAERN O=C(CCCSc1ccccc1)Nc1cccc(Cl)c1 ZINC000009473351 181623775 /nfs/dbraw/zinc/62/37/75/181623775.db2.gz YBIJSUVBCPDGOJ-UHFFFAOYSA-N 0 0 305.830 4.851 10 0 DJAERN CC[C@H](C)Oc1cccc(C(=O)Nc2cccc(Cl)c2)c1 ZINC000010473504 181672278 /nfs/dbraw/zinc/67/22/78/181672278.db2.gz HIFOCPSSWSVZFO-LBPRGKRZSA-N 0 0 303.789 4.770 10 0 DJAERN CC(C)Oc1cccc(C(=O)Nc2ccccc2OC(C)C)c1 ZINC000010684080 181677168 /nfs/dbraw/zinc/67/71/68/181677168.db2.gz SCWPROUIXZCSNU-UHFFFAOYSA-N 0 0 313.397 4.513 10 0 DJAERN S=C(Nc1cccc2ccccc21)N1CCc2ccccc2C1 ZINC000013839363 181906358 /nfs/dbraw/zinc/90/63/58/181906358.db2.gz WEQMDRKTSCVPMU-UHFFFAOYSA-N 0 0 318.445 4.595 10 0 DJAERN O=C(c1ccc(Cl)cc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000015782795 182016930 /nfs/dbraw/zinc/01/69/30/182016930.db2.gz KRJOBKAPNACGBY-SFHVURJKSA-N 0 0 307.780 4.750 10 0 DJAERN COc1c(Cl)cc(C(=O)Nc2ccc(C)cc2)cc1Cl ZINC000016597903 182051144 /nfs/dbraw/zinc/05/11/44/182051144.db2.gz WGDDWGGMNSRXJJ-UHFFFAOYSA-N 0 0 310.180 4.563 10 0 DJAERN CC[C@@H](Nc1cc(C)c(Cl)cc1OC)c1ccc(O)cc1 ZINC000019230727 182109544 /nfs/dbraw/zinc/10/95/44/182109544.db2.gz RDJDROLYUFDSKO-OAHLLOKOSA-N 0 0 305.805 4.926 10 0 DJAERN COc1ccc(Cl)cc1NCc1ccc(F)cc1Cl ZINC000019232353 182110395 /nfs/dbraw/zinc/11/03/95/182110395.db2.gz PGCLNDKZBGOXJL-UHFFFAOYSA-N 0 0 300.160 4.753 10 0 DJAERN Cc1cc(Br)ccc1N[C@@H](C)c1ccc(O)cc1 ZINC000019905589 182162170 /nfs/dbraw/zinc/16/21/70/182162170.db2.gz FXMUHWYAAMLUKB-NSHDSACASA-N 0 0 306.203 4.636 10 0 DJAERN COc1ccccc1[C@@H](C)Nc1ccc(C)cc1Br ZINC000019901600 182162205 /nfs/dbraw/zinc/16/22/05/182162205.db2.gz JUTDNTUSCDWRPN-GFCCVEGCSA-N 0 0 320.230 4.939 10 0 DJAERN COc1ccc([C@H](C)Nc2ccc(C)cc2Br)cc1 ZINC000019901629 182162355 /nfs/dbraw/zinc/16/23/55/182162355.db2.gz DEJYCJSJWHZOFE-LBPRGKRZSA-N 0 0 320.230 4.939 10 0 DJAERN Clc1ccc(NCc2ccc(Br)o2)c(Cl)c1 ZINC000019905534 182162413 /nfs/dbraw/zinc/16/24/13/182162413.db2.gz FCNAHTSQIJCJND-UHFFFAOYSA-N 0 0 321.001 4.961 10 0 DJAERN Cc1ccc(N[C@H]2CCOc3ccccc32)c(Br)c1 ZINC000019901690 182162505 /nfs/dbraw/zinc/16/25/05/182162505.db2.gz DYPMLGJGXNACKJ-AWEZNQCLSA-N 0 0 318.214 4.693 10 0 DJAERN C[C@H](Nc1cc(F)ccc1F)c1ccc(Br)cc1 ZINC000019907805 182163009 /nfs/dbraw/zinc/16/30/09/182163009.db2.gz VQUZDHFUOHJDAI-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN COc1ccccc1[C@H](C)Nc1ccc(Br)cc1F ZINC000019907983 182163092 /nfs/dbraw/zinc/16/30/92/182163092.db2.gz UYWGRGHUVORLDW-JTQLQIEISA-N 0 0 324.193 4.770 10 0 DJAERN C[C@@H](Nc1cc(F)ccc1F)c1cccc(Br)c1 ZINC000019907808 182163222 /nfs/dbraw/zinc/16/32/22/182163222.db2.gz ZBKXBXWHKPYZNE-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN C[C@H](Nc1ccc(F)c(F)c1)c1cccc(Br)c1 ZINC000019918163 182164383 /nfs/dbraw/zinc/16/43/83/182164383.db2.gz UDWRHQSFLFKAMS-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN C[C@@H](Nc1ccccc1Br)c1ccc(F)cc1F ZINC000019922800 182164531 /nfs/dbraw/zinc/16/45/31/182164531.db2.gz SSBFAKMIVBUUPB-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN CC(=O)c1c(F)cccc1Oc1ccccc1Br ZINC000019871593 182159322 /nfs/dbraw/zinc/15/93/22/182159322.db2.gz XTYPLECFZGXSCT-UHFFFAOYSA-N 0 0 309.134 4.583 10 0 DJAERN C[C@H]1CCc2c(sc3ncnc(Nc4ccccc4F)c23)C1 ZINC000019955031 182170346 /nfs/dbraw/zinc/17/03/46/182170346.db2.gz ATVZLUHNTNFJRK-JTQLQIEISA-N 0 0 313.401 4.699 10 0 DJAERN Cc1ccc(NC[C@H](C)c2ccccc2)c(Br)c1 ZINC000019982082 182173091 /nfs/dbraw/zinc/17/30/91/182173091.db2.gz ZFQXTQFIWUWEPR-ZDUSSCGKSA-N 0 0 304.231 4.973 10 0 DJAERN Fc1cc(Br)ccc1NCc1ccccc1Cl ZINC000019987916 182174733 /nfs/dbraw/zinc/17/47/33/182174733.db2.gz JEVMKURVTRVDTD-UHFFFAOYSA-N 0 0 314.585 4.854 10 0 DJAERN CCc1ccc(COc2ccc(F)cc2Br)s1 ZINC000019995442 182175569 /nfs/dbraw/zinc/17/55/69/182175569.db2.gz DKIMEPSHGUBVMT-UHFFFAOYSA-N 0 0 315.207 4.791 10 0 DJAERN C[C@H](Nc1cccc(Br)c1)c1cc(F)ccc1F ZINC000019941851 182167754 /nfs/dbraw/zinc/16/77/54/182167754.db2.gz ACEMLQNVTDMFAR-VIFPVBQESA-N 0 0 312.157 4.900 10 0 DJAERN C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(Cl)cc1 ZINC000020013316 182177632 /nfs/dbraw/zinc/17/76/32/182177632.db2.gz BFFZJLVDRWWRAD-VIFPVBQESA-N 0 0 311.715 4.835 10 0 DJAERN Cc1ccc(Sc2ccc(Br)cc2N)c(C)c1 ZINC000020016469 182178451 /nfs/dbraw/zinc/17/84/51/182178451.db2.gz XFIIYJYORVOTAC-UHFFFAOYSA-N 0 0 308.244 4.799 10 0 DJAERN Brc1ccccc1CNc1ccc2[nH]ccc2c1 ZINC000020132814 182190985 /nfs/dbraw/zinc/19/09/85/182190985.db2.gz VIYFBGDHIGGABT-UHFFFAOYSA-N 0 0 301.187 4.543 10 0 DJAERN O=Cc1ccc(Oc2ccc(Cl)cc2Br)cc1 ZINC000020079658 182184932 /nfs/dbraw/zinc/18/49/32/182184932.db2.gz OKJBAELYHHTOJJ-UHFFFAOYSA-N 0 0 311.562 4.707 10 0 DJAERN Nc1cccc(Cl)c1NCCc1ccc(Cl)cc1Cl ZINC000020383225 182213960 /nfs/dbraw/zinc/21/39/60/182213960.db2.gz AOLCSFNUKOWUQI-UHFFFAOYSA-N 0 0 315.631 4.884 10 0 DJAERN Cc1sc(N)nc1-c1ccc(OCc2ccc(C)cc2)cc1 ZINC000020330396 182208515 /nfs/dbraw/zinc/20/85/15/182208515.db2.gz WJENCKXJIUQJBT-UHFFFAOYSA-N 0 0 310.422 4.588 10 0 DJAERN C[C@H](CNc1ccc(F)cc1Br)c1ccccc1 ZINC000020430315 182216628 /nfs/dbraw/zinc/21/66/28/182216628.db2.gz XCYCKZKFHVZILA-LLVKDONJSA-N 0 0 308.194 4.804 10 0 DJAERN O=Cc1c(Cl)cccc1Oc1cccc(Br)c1 ZINC000020563728 182232268 /nfs/dbraw/zinc/23/22/68/182232268.db2.gz QKADIKSHVCQQGZ-UHFFFAOYSA-N 0 0 311.562 4.707 10 0 DJAERN Cc1cc(-n2c3ccccc3[nH]c2=S)ccc1Br ZINC000020585983 182235875 /nfs/dbraw/zinc/23/58/75/182235875.db2.gz AORBTMJWMVNMMK-UHFFFAOYSA-N 0 0 319.227 4.759 10 0 DJAERN CCCOc1c(Cl)cc(CNCc2ccco2)cc1Cl ZINC000020926492 182254700 /nfs/dbraw/zinc/25/47/00/182254700.db2.gz BAZDTKBHUCGWMQ-UHFFFAOYSA-N 0 0 314.212 4.665 10 0 DJAERN Fc1ccc(Br)cc1CNc1ccc2c(c1)CCC2 ZINC000021509886 182276577 /nfs/dbraw/zinc/27/65/77/182276577.db2.gz CGQGJDWSQYZUEQ-UHFFFAOYSA-N 0 0 320.205 4.689 10 0 DJAERN COc1cccc(CNc2ccc(Cl)cc2Cl)c1OC ZINC000021513136 182276780 /nfs/dbraw/zinc/27/67/80/182276780.db2.gz HBTNRCPQMZMSDV-UHFFFAOYSA-N 0 0 312.196 4.623 10 0 DJAERN CC(C)c1ccccc1NC(=O)c1csc(-c2cccnc2)n1 ZINC000029047980 182549922 /nfs/dbraw/zinc/54/99/22/182549922.db2.gz ACVYDYSOWSACTF-UHFFFAOYSA-N 0 0 323.421 4.581 10 0 DJAERN Clc1cccc([C@@H](c2ccnc3ccccc32)n2ccnc2)c1 ZINC000029135286 182553392 /nfs/dbraw/zinc/55/33/92/182553392.db2.gz FWPFVHKEQZWWIQ-IBGZPJMESA-N 0 0 319.795 4.722 10 0 DJAERN CC(C)c1cc(Cl)nc(-c2ccccc2Br)n1 ZINC000036755806 182841536 /nfs/dbraw/zinc/84/15/36/182841536.db2.gz WZJCFGJUVKRZEB-UHFFFAOYSA-N 0 0 311.610 4.683 10 0 DJAERN Cc1ccc(N[C@H](C)c2ccc(Br)cc2)c(C)c1O ZINC000037130393 182868340 /nfs/dbraw/zinc/86/83/40/182868340.db2.gz HCCZEBHQIJATPE-GFCCVEGCSA-N 0 0 320.230 4.945 10 0 DJAERN Fc1cc(F)c(N[C@H]2CCc3ccccc32)c(Br)c1 ZINC000037392753 182886363 /nfs/dbraw/zinc/88/63/63/182886363.db2.gz IUKFXLJDIDXYPN-AWEZNQCLSA-N 0 0 324.168 4.827 10 0 DJAERN CCc1c(C)nc(-c2cccc(C(F)(F)F)c2)nc1Cl ZINC000038004037 182959536 /nfs/dbraw/zinc/95/95/36/182959536.db2.gz PRCIAJPQWPBOGT-UHFFFAOYSA-N 0 0 300.711 4.687 10 0 DJAERN C[C@H](Nc1cc(F)cc(F)c1)c1ccc(Br)s1 ZINC000038001801 182957693 /nfs/dbraw/zinc/95/76/93/182957693.db2.gz POWLPYHCKVTSLF-ZETCQYMHSA-N 0 0 318.186 4.962 10 0 DJAERN COc1cccc2c(C)cc(SCc3ccccc3F)nc12 ZINC000040167367 183043714 /nfs/dbraw/zinc/04/37/14/183043714.db2.gz FQSZTOSQUBUVDE-UHFFFAOYSA-N 0 0 313.397 4.983 10 0 DJAERN Cc1nc2ccccc2n1CCCOc1ccc(C(C)C)cc1 ZINC000040224693 183046835 /nfs/dbraw/zinc/04/68/35/183046835.db2.gz KLDKGSWAJYPLQO-UHFFFAOYSA-N 0 0 308.425 4.937 10 0 DJAERN Cc1nc2ccccc2n1CCCCOc1ccc(C)cc1C ZINC000040224711 183047091 /nfs/dbraw/zinc/04/70/91/183047091.db2.gz KJBZQHMGNHSFLF-UHFFFAOYSA-N 0 0 308.425 4.821 10 0 DJAERN CCc1nc2ccccc2n1CCCOc1cc(C)ccc1C ZINC000040227393 183047565 /nfs/dbraw/zinc/04/75/65/183047565.db2.gz UMZBRYLQPXUURL-UHFFFAOYSA-N 0 0 308.425 4.685 10 0 DJAERN CCc1ccc(OCCn2c3ccccc3nc2C(C)C)cc1 ZINC000040231265 183048033 /nfs/dbraw/zinc/04/80/33/183048033.db2.gz PSPLRNMPAOZLDV-UHFFFAOYSA-N 0 0 308.425 4.801 10 0 DJAERN CCc1ccc(OCCn2c3ccccc3nc2C(C)(C)C)cc1 ZINC000040239235 183048412 /nfs/dbraw/zinc/04/84/12/183048412.db2.gz CQVBAIFUPNDRPY-UHFFFAOYSA-N 0 0 322.452 4.975 10 0 DJAERN CC(C)(C)c1nc2ccccc2n1CCCOc1ccccc1 ZINC000040239243 183048595 /nfs/dbraw/zinc/04/85/95/183048595.db2.gz LPTTXCMMZNNNLX-UHFFFAOYSA-N 0 0 308.425 4.803 10 0 DJAERN Cc1ccccc1NC(=O)Nc1nc2cc(C)c(C)cc2s1 ZINC000040380764 183058227 /nfs/dbraw/zinc/05/82/27/183058227.db2.gz BZYKFCMVADUXCF-UHFFFAOYSA-N 0 0 311.410 4.866 10 0 DJAERN Cc1ccc(C)c(-c2cn3cc(Br)cc(C)c3n2)c1 ZINC000040383944 183059202 /nfs/dbraw/zinc/05/92/02/183059202.db2.gz YFVNIMLVUCBXLL-UHFFFAOYSA-N 0 0 315.214 4.689 10 0 DJAERN CCOCCn1c2cc(Cl)ccc2nc1-c1cccc(C)c1 ZINC000040405149 183062192 /nfs/dbraw/zinc/06/21/92/183062192.db2.gz RZQMUERAGSYLPG-UHFFFAOYSA-N 0 0 314.816 4.702 10 0 DJAERN Clc1ccc2nc(-c3ccccc3)n(Cc3ccco3)c2c1 ZINC000040409912 183063150 /nfs/dbraw/zinc/06/31/50/183063150.db2.gz HYQPNUQAZKNUIE-UHFFFAOYSA-N 0 0 308.768 4.998 10 0 DJAERN CCCn1c(COc2cccc(C)c2)nc2cc(Cl)ccc21 ZINC000040417555 183063505 /nfs/dbraw/zinc/06/35/05/183063505.db2.gz WBFABDROOKQITA-UHFFFAOYSA-N 0 0 314.816 4.987 10 0 DJAERN CC(C)n1c(COc2ccccc2)nc2ccc(Cl)cc21 ZINC000040417391 183063700 /nfs/dbraw/zinc/06/37/00/183063700.db2.gz TXFXLZLOYCFIFP-UHFFFAOYSA-N 0 0 300.789 4.850 10 0 DJAERN Cc1ccc(Oc2ncnc(Nc3ccc(C)c(C)c3)c2N)cc1 ZINC000040702973 183120297 /nfs/dbraw/zinc/12/02/97/183120297.db2.gz UKJPJJOJCCVZJR-UHFFFAOYSA-N 0 0 320.396 4.520 10 0 DJAERN Cc1ccc(Nc2ncnc(Oc3ccc(C)c(C)c3)c2N)cc1 ZINC000040782114 183133252 /nfs/dbraw/zinc/13/32/52/183133252.db2.gz RNJQDWWIBMOZQP-UHFFFAOYSA-N 0 0 320.396 4.520 10 0 DJAERN CCc1ccc(Oc2ncnc(Oc3ccc(C)cc3)c2N)cc1 ZINC000040796340 183135377 /nfs/dbraw/zinc/13/53/77/183135377.db2.gz VLLFKSXKDKRBNQ-UHFFFAOYSA-N 0 0 321.380 4.514 10 0 DJAERN CCCCC(=O)Nc1nc(-c2ccc(OC(C)C)cc2)cs1 ZINC000040925489 183148928 /nfs/dbraw/zinc/14/89/28/183148928.db2.gz WTNZBVQWZJDPIE-UHFFFAOYSA-N 0 0 318.442 4.726 10 0 DJAERN COc1ccccc1-c1cn2nc(C3CCCCC3)sc2n1 ZINC000040963792 183152102 /nfs/dbraw/zinc/15/21/02/183152102.db2.gz JMZJJIQGHYLGAM-UHFFFAOYSA-N 0 0 313.426 4.514 10 0 DJAERN COc1ccc2c(c1)sc1nc(-c3ccc(C)c(C)c3)cn21 ZINC000040964284 183152245 /nfs/dbraw/zinc/15/22/45/183152245.db2.gz WMJNYUUJTWTZLI-UHFFFAOYSA-N 0 0 308.406 4.841 10 0 DJAERN COc1ccccc1-c1cn2c(n1)sc1ccc(C)c(C)c12 ZINC000040964587 183152340 /nfs/dbraw/zinc/15/23/40/183152340.db2.gz ITOPRUREJATGCA-UHFFFAOYSA-N 0 0 308.406 4.841 10 0 DJAERN COc1ccc(OC)c(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000041055055 183159441 /nfs/dbraw/zinc/15/94/41/183159441.db2.gz FUZPPYLWWLLKHX-UHFFFAOYSA-N 0 0 314.772 4.649 10 0 DJAERN Cc1cc(C)c2nccc(NC(=O)c3cccc(Cl)c3)c2c1 ZINC000041057044 183160355 /nfs/dbraw/zinc/16/03/55/183160355.db2.gz OFDHBNZMUBWZQR-UHFFFAOYSA-N 0 0 310.784 4.757 10 0 DJAERN Cc1cccc2c(NC(=O)/C=C/c3ccccc3Cl)ccnc12 ZINC000041057894 183161059 /nfs/dbraw/zinc/16/10/59/183161059.db2.gz DBDMYLUCJFPAKC-MDZDMXLPSA-N 0 0 322.795 4.849 10 0 DJAERN CCCCC(=O)Nc1nc(-c2ccc(OCCC)cc2)cs1 ZINC000040889480 183145986 /nfs/dbraw/zinc/14/59/86/183145986.db2.gz UWORZPQTEIFSLV-UHFFFAOYSA-N 0 0 318.442 4.728 10 0 DJAERN Cc1cc(C)c(COc2cccc(Br)c2)c(C)c1 ZINC000041531991 183199145 /nfs/dbraw/zinc/19/91/45/183199145.db2.gz JUVMOXUFZMLWED-UHFFFAOYSA-N 0 0 305.215 4.953 10 0 DJAERN Cc1cccc(C[C@@H](CO)Cc2ccc(Cl)cc2Cl)c1 ZINC000041543075 183201082 /nfs/dbraw/zinc/20/10/82/183201082.db2.gz KTLHUYULBONMMP-CQSZACIVSA-N 0 0 309.236 4.696 10 0 DJAERN FC(F)(F)c1ccc2c(Cl)c(Br)cnc2c1 ZINC000041702350 183217733 /nfs/dbraw/zinc/21/77/33/183217733.db2.gz LCUMPHGOJOREKW-UHFFFAOYSA-N 0 0 310.500 4.670 10 0 DJAERN FC(F)(F)c1nc(=S)[nH]c2c1CCCC2=Cc1ccccc1 ZINC000043463583 183364886 /nfs/dbraw/zinc/36/48/86/183364886.db2.gz XFQBNFKTRWRNFT-PKNBQFBNSA-N 0 0 322.355 4.661 10 0 DJAERN CC(C)COc1cccc(NCc2ccc(O)c(Cl)c2)c1 ZINC000043488223 183366331 /nfs/dbraw/zinc/36/63/31/183366331.db2.gz SQCFZHCAZSGDNF-UHFFFAOYSA-N 0 0 305.805 4.693 10 0 DJAERN FC(F)(F)c1ccc(-c2ncc(Br)s2)cc1 ZINC000044120470 183395032 /nfs/dbraw/zinc/39/50/32/183395032.db2.gz KCTKAEADXRPRNB-UHFFFAOYSA-N 0 0 308.122 4.591 10 0 DJAERN C[C@H](c1cccs1)N(C)c1cc(Br)ccc1C=O ZINC000049727468 183756632 /nfs/dbraw/zinc/75/66/32/183756632.db2.gz ORFDOGFNOPPLPA-SNVBAGLBSA-N 0 0 324.243 4.521 10 0 DJAERN C[C@H](O)c1cc(Cl)ccc1OCc1ccc(Cl)s1 ZINC000050211130 183778053 /nfs/dbraw/zinc/77/80/53/183778053.db2.gz QGACVRMLECJGDZ-QMMMGPOBSA-N 0 0 303.210 4.687 10 0 DJAERN C[C@@H](O)c1cc(Cl)ccc1OCc1ccc(Cl)s1 ZINC000050211131 183778192 /nfs/dbraw/zinc/77/81/92/183778192.db2.gz QGACVRMLECJGDZ-MRVPVSSYSA-N 0 0 303.210 4.687 10 0 DJAERN C[C@@H]1CCC[C@H](C(=O)Cc2ccc(Br)cc2F)C1 ZINC000053780062 183912511 /nfs/dbraw/zinc/91/25/11/183912511.db2.gz XIDYLFZVFLJKPZ-PWSUYJOCSA-N 0 0 313.210 4.526 10 0 DJAERN CC(C)(C)OC(=O)n1ccc2cc(-c3cccc(C=O)c3)ccc21 ZINC000059871502 184142022 /nfs/dbraw/zinc/14/20/22/184142022.db2.gz FWRGEIXOQWIBED-UHFFFAOYSA-N 0 0 321.376 4.904 10 0 DJAERN FC(F)(F)c1ccc2c(c1)NC[C@H](c1ccc(Cl)cc1)O2 ZINC000062564553 184243168 /nfs/dbraw/zinc/24/31/68/184243168.db2.gz ZNNHQVOWMFUDJQ-CQSZACIVSA-N 0 0 313.706 4.904 10 0 DJAERN FC(F)(F)C(F)(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC000062772462 184253272 /nfs/dbraw/zinc/25/32/72/184253272.db2.gz USLIVQKDALITMU-UHFFFAOYSA-N 0 0 317.044 4.591 10 0 DJAERN Oc1cc(Br)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000065343907 184325972 /nfs/dbraw/zinc/32/59/72/184325972.db2.gz PMMARVZFHSLEEJ-UHFFFAOYSA-N 0 0 317.104 4.841 10 0 DJAERN Cc1cc(Cl)ccc1-c1cc(O)cc(OC(F)(F)F)c1 ZINC000065344225 184326201 /nfs/dbraw/zinc/32/62/01/184326201.db2.gz ADJCBXBDFJMLLT-UHFFFAOYSA-N 0 0 302.679 4.920 10 0 DJAERN Cc1ccsc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000071861967 184873435 /nfs/dbraw/zinc/87/34/35/184873435.db2.gz KBTYOKZABYEBSM-ZDUSSCGKSA-N 0 0 301.455 4.845 10 0 DJAERN CSc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000136675185 196546417 /nfs/dbraw/zinc/54/64/17/196546417.db2.gz VFSAWQRTYDALTJ-UHFFFAOYSA-N 0 0 307.459 4.523 10 0 DJAERN CCc1cccc(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109097826 331510102 /nfs/dbraw/zinc/51/01/02/331510102.db2.gz RIKPGHLCJNKSEV-HUUCEWRRSA-N 0 0 315.363 4.578 10 0 DJAERN Cc1cnc([C@H](C)N[C@H](C)c2c(Cl)ccc(F)c2Cl)o1 ZINC000220914213 331623334 /nfs/dbraw/zinc/62/33/34/331623334.db2.gz SLWSLQUBMNZXAO-BDAKNGLRSA-N 0 0 317.191 4.841 10 0 DJAERN C[C@H](Nc1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1 ZINC000090803196 332034693 /nfs/dbraw/zinc/03/46/93/332034693.db2.gz GSUKHXISEHAOIK-VIFPVBQESA-N 0 0 300.711 4.927 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cc(F)cc(F)c2)o1 ZINC000151382893 332574726 /nfs/dbraw/zinc/57/47/26/332574726.db2.gz DOBVBEOTENSWCT-HNNXBMFYSA-N 0 0 320.339 4.625 10 0 DJAERN CC(C)c1ccc([C@H](C)NCc2nc(C3CCCC3)no2)cc1 ZINC000178745207 333019397 /nfs/dbraw/zinc/01/93/97/333019397.db2.gz MULLYUVDRWWPMS-AWEZNQCLSA-N 0 0 313.445 4.701 10 0 DJAERN CCc1nc(CN[C@H](c2ccccc2)c2ccccc2C)cs1 ZINC000180502189 333028136 /nfs/dbraw/zinc/02/81/36/333028136.db2.gz LDHWFHMVPHNUTC-HXUWFJFHSA-N 0 0 322.477 4.893 10 0 DJAERN Cc1ccc([C@@H](C)NC(=O)Nc2cccc(C(C)(F)F)c2)o1 ZINC000186992610 333383089 /nfs/dbraw/zinc/38/30/89/333383089.db2.gz FFFXFAYHLHUPFF-LLVKDONJSA-N 0 0 308.328 4.582 10 0 DJAERN C[C@@H](NC(=O)N[C@@H](C)c1ccc(Cl)s1)c1cccs1 ZINC000047976868 333556180 /nfs/dbraw/zinc/55/61/80/333556180.db2.gz AEYJMKNUPWQETC-BDAKNGLRSA-N 0 0 314.863 4.584 10 0 DJAERN Cc1ccc(CN[C@H](C)c2c(Cl)ccc(F)c2Cl)o1 ZINC000048327232 333585429 /nfs/dbraw/zinc/58/54/29/333585429.db2.gz MAWHDQVDJIMMKD-SECBINFHSA-N 0 0 302.176 4.885 10 0 DJAERN CC(C)C[C@H](C)C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000184530749 334148083 /nfs/dbraw/zinc/14/80/83/334148083.db2.gz SFNWQRODDSSFJA-LSDHHAIUSA-N 0 0 322.518 4.655 10 0 DJAERN CC(C)c1ccc([C@H](C)N[C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000187669975 334268800 /nfs/dbraw/zinc/26/88/00/334268800.db2.gz WHOIPEZVSBLIPU-OXJNMPFZSA-N 0 0 319.452 4.973 10 0 DJAERN CC(C)c1ccc([C@H](C)N[C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000187669941 334268837 /nfs/dbraw/zinc/26/88/37/334268837.db2.gz WHOIPEZVSBLIPU-JXFKEZNVSA-N 0 0 319.452 4.973 10 0 DJAERN C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1F ZINC000164951308 334686375 /nfs/dbraw/zinc/68/63/75/334686375.db2.gz XSYVCWYFFUKDQI-JLTOFOAXSA-N 0 0 324.374 4.800 10 0 DJAERN Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H]2c2ccco2)c(C)s1 ZINC000116418106 335895947 /nfs/dbraw/zinc/89/59/47/335895947.db2.gz GRXDHARIEGTVJE-IUODEOHRSA-N 0 0 318.442 4.566 10 0 DJAERN Cc1noc(C)c1C(C)(C)c1nc([C@H]2C[C@H](C)C[C@H](C)C2)no1 ZINC000329641699 336025576 /nfs/dbraw/zinc/02/55/76/336025576.db2.gz ZVQQGJRHASJYPW-YABSGUDNSA-N 0 0 317.433 4.540 10 0 DJAERN C[C@@H](Nc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1 ZINC000042267950 336238246 /nfs/dbraw/zinc/23/82/46/336238246.db2.gz PFESVZLVDKYWSY-SECBINFHSA-N 0 0 300.711 4.927 10 0 DJAERN Cc1noc(C)c1[C@H](C)Nc1ccc2c(Cl)ccnc2c1F ZINC000301247513 336296589 /nfs/dbraw/zinc/29/65/89/336296589.db2.gz CATKYDFARYERGM-QMMMGPOBSA-N 0 0 319.767 4.805 10 0 DJAERN C[C@H](Nc1ccnc(C2CC2)n1)c1cc2cc(Cl)ccc2o1 ZINC000301274429 336298137 /nfs/dbraw/zinc/29/81/37/336298137.db2.gz LGQZLSAIDCWAJF-JTQLQIEISA-N 0 0 313.788 4.927 10 0 DJAERN FC(F)(F)c1ccnc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000301508681 336311336 /nfs/dbraw/zinc/31/13/36/336311336.db2.gz DQLURHSVQTWBPE-PSASIEDQSA-N 0 0 312.257 4.633 10 0 DJAERN C[C@@H](Nc1cc(C(F)(F)F)ccn1)c1ccc(F)c(F)c1 ZINC000301510006 336311527 /nfs/dbraw/zinc/31/15/27/336311527.db2.gz DWBAXWJQKCFOAR-MRVPVSSYSA-N 0 0 302.246 4.552 10 0 DJAERN CC(=O)c1c(F)cccc1N[C@@H](C)c1csc(C(C)C)n1 ZINC000301573902 336315931 /nfs/dbraw/zinc/31/59/31/336315931.db2.gz NBJKVJWCCBOXCH-JTQLQIEISA-N 0 0 306.406 4.781 10 0 DJAERN Cn1c(CNc2ccnc3ccsc32)cc(Cl)c1Cl ZINC000301659050 336321330 /nfs/dbraw/zinc/32/13/30/336321330.db2.gz SZNZIQUUCLITQD-UHFFFAOYSA-N 0 0 312.225 4.554 10 0 DJAERN COc1ccccc1[C@@H](Nc1nc(C2CC2)ns1)C(C)(C)C ZINC000301948005 336339334 /nfs/dbraw/zinc/33/93/34/336339334.db2.gz DLMGTLCEVZPGHI-CQSZACIVSA-N 0 0 317.458 4.623 10 0 DJAERN COCCC(C)(C)CNc1ccc2c(Cl)ccnc2c1F ZINC000302141045 336350482 /nfs/dbraw/zinc/35/04/82/336350482.db2.gz DZFUOGMQFHKOML-UHFFFAOYSA-N 0 0 310.800 4.502 10 0 DJAERN CC(C)c1nc([C@H](C)Nc2ncc(C(F)(F)F)s2)cs1 ZINC000302720942 336366447 /nfs/dbraw/zinc/36/64/47/336366447.db2.gz HLDYFZNKPMMPFZ-ZETCQYMHSA-N 0 0 321.393 4.915 10 0 DJAERN COc1ccc(OC)c([C@@H](C)Nc2cccc(-c3cnco3)c2)c1 ZINC000193910455 337080497 /nfs/dbraw/zinc/08/04/97/337080497.db2.gz TVHMXPDBWHQANS-CYBMUJFWSA-N 0 0 324.380 4.532 10 0 DJAERN COc1ccc([C@H](C)Nc2cccc(-c3cnco3)c2)c(OC)c1 ZINC000193910127 337080558 /nfs/dbraw/zinc/08/05/58/337080558.db2.gz BDICBDQUGCKUBP-ZDUSSCGKSA-N 0 0 324.380 4.532 10 0 DJAERN COc1ccc([C@@H](C)Nc2cccc(-c3cnco3)c2)cc1OC ZINC000193909761 337080590 /nfs/dbraw/zinc/08/05/90/337080590.db2.gz GMVNXDYOGUCSLQ-CYBMUJFWSA-N 0 0 324.380 4.532 10 0 DJAERN CCCCCC[C@H](C)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000173512079 337136178 /nfs/dbraw/zinc/13/61/78/337136178.db2.gz JJPOWEROKWBRQK-LSDHHAIUSA-N 0 0 308.491 4.803 10 0 DJAERN CCCCCC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173950774 337137898 /nfs/dbraw/zinc/13/78/98/337137898.db2.gz LAOKYRDGEVECAS-AWEZNQCLSA-N 0 0 308.491 4.553 10 0 DJAERN Fc1ccc2c(c1)[C@@H](N[C@@H](c1ccco1)c1ccccc1)CCO2 ZINC000178430926 337164779 /nfs/dbraw/zinc/16/47/79/337164779.db2.gz LJFLBXSSZFBKQE-FXAWDEMLSA-N 0 0 323.367 4.622 10 0 DJAERN Cc1ccc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)s1 ZINC000178606748 337165391 /nfs/dbraw/zinc/16/53/91/337165391.db2.gz CSOWYRYWIRZKPI-DNVCBOLYSA-N 0 0 308.450 4.892 10 0 DJAERN Cc1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)CC2 ZINC000178611911 337165445 /nfs/dbraw/zinc/16/54/45/337165445.db2.gz CZDKLKNQJNUKSO-FGZHOGPDSA-N 0 0 314.432 4.757 10 0 DJAERN COc1ccc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000178612853 337165451 /nfs/dbraw/zinc/16/54/51/337165451.db2.gz KDVHNJAOWBRQMC-IERDGZPVSA-N 0 0 318.420 4.530 10 0 DJAERN Fc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)CC2 ZINC000178610747 337165470 /nfs/dbraw/zinc/16/54/70/337165470.db2.gz LXTZKLUWUUDQKG-RTWAWAEBSA-N 0 0 318.395 4.587 10 0 DJAERN CC[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cccs1 ZINC000178609520 337165531 /nfs/dbraw/zinc/16/55/31/337165531.db2.gz DXNUSCCEFXPKLQ-HKUYNNGSSA-N 0 0 308.450 4.973 10 0 DJAERN CCOc1ccc([C@H](C)Nc2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000179810355 337171924 /nfs/dbraw/zinc/17/19/24/337171924.db2.gz KJZAVDKKQKGHQD-AWEZNQCLSA-N 0 0 324.424 4.533 10 0 DJAERN C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1cccc(F)c1F ZINC000183256447 337192522 /nfs/dbraw/zinc/19/25/22/337192522.db2.gz UECAABIBONNWJT-JLTOFOAXSA-N 0 0 324.374 4.800 10 0 DJAERN CC[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(C)cc1 ZINC000186063710 337253344 /nfs/dbraw/zinc/25/33/44/337253344.db2.gz NQPISPBMVLHFSH-HXUWFJFHSA-N 0 0 317.436 4.693 10 0 DJAERN C[C@@H]1CC[C@@H](Nc2ccc3c(c2)CN(C)C(=O)N3)c2ccccc21 ZINC000186527773 337257409 /nfs/dbraw/zinc/25/74/09/337257409.db2.gz ZYFZZHRACREUMH-BFUOFWGJSA-N 0 0 321.424 4.714 10 0 DJAERN CC[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc(C)cc1 ZINC000186553722 337257600 /nfs/dbraw/zinc/25/76/00/337257600.db2.gz DVBXXUOHKCRIPZ-QGZVFWFLSA-N 0 0 309.413 4.536 10 0 DJAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc3ccccc3c2)cs1 ZINC000187057722 337261580 /nfs/dbraw/zinc/26/15/80/337261580.db2.gz FWZOEKNEMGTAQL-SFHVURJKSA-N 0 0 322.433 4.582 10 0 DJAERN Cc1coc2ccc(NC(=O)N3CCC[C@@H]3c3ccco3)cc12 ZINC000187986129 337270746 /nfs/dbraw/zinc/27/07/46/337270746.db2.gz NBOSFGVNPCSQTO-OAHLLOKOSA-N 0 0 310.353 4.703 10 0 DJAERN Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCc2cccnc21 ZINC000192679588 337306801 /nfs/dbraw/zinc/30/68/01/337306801.db2.gz HJMPVZMGJVUAKW-KRWDZBQOSA-N 0 0 308.425 4.572 10 0 DJAERN C=C(c1cccc(Br)c1)P(=O)(OCC)OCC ZINC000584602053 337371084 /nfs/dbraw/zinc/37/10/84/337371084.db2.gz HPUALFXQKAEGSK-UHFFFAOYSA-N 0 0 319.135 4.686 10 0 DJAERN CCC/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)OCC ZINC000584602812 337371150 /nfs/dbraw/zinc/37/11/50/337371150.db2.gz BMLAZQXDIIUXNP-VESHTZQJSA-N 0 0 308.462 4.842 10 0 DJAERN CCC/C=C/[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)OCC ZINC000584602810 337371155 /nfs/dbraw/zinc/37/11/55/337371155.db2.gz BMLAZQXDIIUXNP-BAMWUGHESA-N 0 0 308.462 4.842 10 0 DJAERN C[Si](C)(C)CCOCn1cc(Cl)c2c1nccc2Cl ZINC000584620224 337371992 /nfs/dbraw/zinc/37/19/92/337371992.db2.gz XUHVIPRGANNMJV-UHFFFAOYSA-N 0 0 317.292 4.655 10 0 DJAERN CCCOc1cc(CO)cc(C2CC2)c1-c1ccc(F)cc1 ZINC000584612589 337372467 /nfs/dbraw/zinc/37/24/67/337372467.db2.gz HNUQKSHUAWHRNN-UHFFFAOYSA-N 0 0 300.373 4.651 10 0 DJAERN O=c1c2c(F)cc(C3CC3)cc2ccn1-c1cccc(Cl)c1 ZINC000584613007 337372578 /nfs/dbraw/zinc/37/25/78/337372578.db2.gz HRDHVNFPFNJLAL-UHFFFAOYSA-N 0 0 313.759 4.661 10 0 DJAERN CCCCCCN1C(=O)c2ccccc2[C@H]1c1ccc(O)cc1 ZINC000584619132 337373278 /nfs/dbraw/zinc/37/32/78/337373278.db2.gz FJSOQDGSLHXBMO-LJQANCHMSA-N 0 0 309.409 4.518 10 0 DJAERN COc1cc(CCCCCc2ccc(F)cc2)cc(OC)c1 ZINC000584593082 337373535 /nfs/dbraw/zinc/37/35/35/337373535.db2.gz OHYGLQBQWMRPJJ-UHFFFAOYSA-N 0 0 302.389 4.798 10 0 DJAERN CCc1cc(OCc2ccccc2)c(F)cc1Br ZINC000584593110 337373636 /nfs/dbraw/zinc/37/36/36/337373636.db2.gz RKSHRDUFWGVQSL-UHFFFAOYSA-N 0 0 309.178 4.730 10 0 DJAERN CC[C@@H](c1cccc(OC2CCCCC2)c1)[C@@H](C)C(=O)N(C)C ZINC000584595825 337374027 /nfs/dbraw/zinc/37/40/27/337374027.db2.gz ALYKQNDMECDDRB-DNVCBOLYSA-N 0 0 317.473 4.616 10 0 DJAERN COC(=O)[C@H](Cc1ccc(Cl)cc1Cl)c1ccccc1C ZINC000584596205 337374275 /nfs/dbraw/zinc/37/42/75/337374275.db2.gz ARPBURKLTHUDLW-OAHLLOKOSA-N 0 0 323.219 4.801 10 0 DJAERN COC(=O)c1cc(OCc2ccc3ccccc3c2)ccc1C ZINC000584597204 337374390 /nfs/dbraw/zinc/37/43/90/337374390.db2.gz KPHTVEYIEYSGLY-UHFFFAOYSA-N 0 0 306.361 4.514 10 0 DJAERN CC(C)(C)OC(=O)c1ccc(C(C)(C)C)c(Br)c1 ZINC000584597766 337374486 /nfs/dbraw/zinc/37/44/86/337374486.db2.gz JARORBZUQOFOOK-UHFFFAOYSA-N 0 0 313.235 4.702 10 0 DJAERN C[C@@](O)(c1ccccc1)[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000584629701 337376528 /nfs/dbraw/zinc/37/65/28/337376528.db2.gz OSQAEPGZMLGOIR-WOJBJXKFSA-N 0 0 323.823 4.775 10 0 DJAERN Brc1ccc(-c2cc(-c3cccs3)on2)cc1 ZINC000584629883 337376627 /nfs/dbraw/zinc/37/66/27/337376627.db2.gz LAIWKPKXDNTUAG-UHFFFAOYSA-N 0 0 306.184 4.833 10 0 DJAERN CC1CCC(COc2ncc(Br)cc2Cl)CC1 ZINC000584648318 337380409 /nfs/dbraw/zinc/38/04/09/337380409.db2.gz FNTPKUCNWBHLTO-UHFFFAOYSA-N 0 0 318.642 4.703 10 0 DJAERN COc1cccnc1[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000584649341 337380474 /nfs/dbraw/zinc/38/04/74/337380474.db2.gz PWNOYNRIMGBRMM-GOSISDBHSA-N 0 0 309.796 4.924 10 0 DJAERN S=C(Nc1ccccc1)NC1CCC2(CCCCC2)CC1 ZINC000584650647 337380809 /nfs/dbraw/zinc/38/08/09/337380809.db2.gz ZXVRJNFYSBYIFU-UHFFFAOYSA-N 0 0 302.487 4.866 10 0 DJAERN Clc1ccc([C@@]2(c3ccncc3)CCCO2)c2ccccc12 ZINC000584651209 337380898 /nfs/dbraw/zinc/38/08/98/337380898.db2.gz BSDACGOFIHLARP-IBGZPJMESA-N 0 0 309.796 4.942 10 0 DJAERN CCCC[C@@H](CC)CC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000117252038 337393274 /nfs/dbraw/zinc/39/32/74/337393274.db2.gz BAJYZORVZGMMDE-HUUCEWRRSA-N 0 0 308.491 4.803 10 0 DJAERN CC(=O)c1csc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000106598381 337820751 /nfs/dbraw/zinc/82/07/51/337820751.db2.gz IUXFVJWEVDRLAJ-GFCCVEGCSA-N 0 0 323.417 4.595 10 0 DJAERN CCCC[C@H](CC)CC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173074151 340357569 /nfs/dbraw/zinc/35/75/69/340357569.db2.gz LRMDWEZJAQJRQH-JKSUJKDBSA-N 0 0 322.518 4.764 10 0 DJAERN CCCC[C@@H](CC)CC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173074134 340357582 /nfs/dbraw/zinc/35/75/82/340357582.db2.gz LRMDWEZJAQJRQH-CVEARBPZSA-N 0 0 322.518 4.764 10 0 DJAERN CSc1cccc(N[C@H](C)c2cnn(C(C)(C)C)c2C)c1 ZINC000191419376 340554254 /nfs/dbraw/zinc/55/42/54/340554254.db2.gz ZAYBKERUKYEEMM-GFCCVEGCSA-N 0 0 303.475 4.842 10 0 DJAERN Cc1ccc([C@@H](C)NCc2nc3ccccc3c(C)c2Cl)o1 ZINC000193647915 340580889 /nfs/dbraw/zinc/58/08/89/340580889.db2.gz TVFRCWBBNNKNCS-CYBMUJFWSA-N 0 0 314.816 4.949 10 0 DJAERN Cc1cnc([C@H](C)NCc2sc3ccccc3c2Cl)o1 ZINC000230641730 340620398 /nfs/dbraw/zinc/62/03/98/340620398.db2.gz MDQLCCLZYVEVOT-JTQLQIEISA-N 0 0 306.818 4.702 10 0 DJAERN CCCCC1CCC(C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000069756398 340710814 /nfs/dbraw/zinc/71/08/14/340710814.db2.gz FMGNSAVWCFFRCN-HTWSVDAQSA-N 0 0 315.457 4.623 10 0 DJAERN Cc1noc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000131002712 341056121 /nfs/dbraw/zinc/05/61/21/341056121.db2.gz ZMDYDIMQCQZVMH-IAGOWNOFSA-N 0 0 324.424 4.805 10 0 DJAERN Cc1ccc([C@@H](C)NC(=O)c2sc3cccc(F)c3c2C)o1 ZINC000247903067 341371032 /nfs/dbraw/zinc/37/10/32/341371032.db2.gz JBKTVODWUVXGPP-LLVKDONJSA-N 0 0 317.385 4.741 10 0 DJAERN C[C@H]([NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1)c1ccccn1 ZINC000248030319 341372417 /nfs/dbraw/zinc/37/24/17/341372417.db2.gz QGHIEWITZPFWQY-IHRRRGAJSA-N 0 0 311.454 4.534 10 0 DJAERN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000248627256 341381931 /nfs/dbraw/zinc/38/19/31/341381931.db2.gz ZCWVGMGQWOVWSX-KYJSFNMBSA-N 0 0 314.473 4.516 10 0 DJAERN COc1cc(OC)c([C@H](C)N[C@@H](C)c2ccc(C)o2)cc1Cl ZINC000158172592 341652800 /nfs/dbraw/zinc/65/28/00/341652800.db2.gz KDLGAGSDPNJXEF-RYUDHWBXSA-N 0 0 323.820 4.670 10 0 DJAERN CC(C)(C)c1csc(CN2CCCC[C@@H]2c2nccs2)n1 ZINC000119599435 519080089 /nfs/dbraw/zinc/08/00/89/519080089.db2.gz UYPJVLASSRSIPS-GFCCVEGCSA-N 0 0 321.515 4.624 10 0 DJAERN CCCc1cccc(C(C)C)c1NC(=O)N1CCS[C@@H](C)C1 ZINC000189992372 521422741 /nfs/dbraw/zinc/42/27/41/521422741.db2.gz KKAQONMTDNGBCP-AWEZNQCLSA-N 0 0 320.502 4.732 10 0 DJAERN CC[C@H](NC(=O)N[C@@H](C)c1ccc(C)o1)c1ccc(Cl)cc1 ZINC000107708557 522463010 /nfs/dbraw/zinc/46/30/10/522463010.db2.gz CMMYOIDUINHPNN-WFASDCNBSA-N 0 0 320.820 4.753 10 0 DJAERN Cc1cccc([S@@](=O)[C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000157095985 524908958 /nfs/dbraw/zinc/90/89/58/524908958.db2.gz KRJBEFBNDMDQQO-JLCFBVMHSA-N 0 0 311.406 4.519 10 0 DJAERN CC(=O)c1ccc(Oc2nc(C(F)(F)F)cs2)c(Cl)c1 ZINC000120377647 534872086 /nfs/dbraw/zinc/87/20/86/534872086.db2.gz WLKQNFNMIBEICE-UHFFFAOYSA-N 0 0 321.707 4.810 10 0 DJAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)c2cccs2)o1 ZINC000127536659 525800444 /nfs/dbraw/zinc/80/04/44/525800444.db2.gz QRINRYQEOLINLI-KGLIPLIRSA-N 0 0 303.427 4.507 10 0 DJAERN Cc1nc(CN[C@H](C)c2ccc(OCCC(C)C)cc2)oc1C ZINC000181739958 526893411 /nfs/dbraw/zinc/89/34/11/526893411.db2.gz XKIRBZBWAWOWJK-OAHLLOKOSA-N 0 0 316.445 4.567 10 0 DJAERN ClC(Cl)(Cl)[C@H](NCc1ccccc1)c1ccccc1 ZINC000032500801 526924995 /nfs/dbraw/zinc/92/49/95/526924995.db2.gz PEFTWTREKWVNDS-CQSZACIVSA-N 0 0 314.643 4.888 10 0 DJAERN CCC[C@@H]1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1 ZINC000725265674 563571723 /nfs/dbraw/zinc/57/17/23/563571723.db2.gz SYYZFMAKNJZSMV-LLVKDONJSA-N 0 0 319.246 4.744 10 0 DJAERN Cc1ccc(OC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000001096746 563277230 /nfs/dbraw/zinc/27/72/30/563277230.db2.gz PSZGPBIOHBMYPB-UHFFFAOYSA-N 0 0 309.287 4.933 10 0 DJAERN C[C@H](NC(=O)c1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000006286792 563332452 /nfs/dbraw/zinc/33/24/52/563332452.db2.gz JVSLNNCSGVDHJP-UHSVVUDUSA-N 0 0 317.860 4.675 10 0 DJAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NC(=S)Nc1cccc(F)c1 ZINC000013464572 563382025 /nfs/dbraw/zinc/38/20/25/563382025.db2.gz IETJHKSEQGKSOZ-RCBQFDQVSA-N 0 0 308.466 4.573 10 0 DJAERN COC(=O)c1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CO3)cc1 ZINC000013781197 563389630 /nfs/dbraw/zinc/38/96/30/563389630.db2.gz VHXWBUMFZDHHAP-SDNWHVSQSA-N 0 0 322.404 4.704 10 0 DJAERN Cc1ccc(/C=C/C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)cc1 ZINC000004589988 563412256 /nfs/dbraw/zinc/41/22/56/563412256.db2.gz XXIMPCIQYGNGRW-ABDPJLGLSA-N 0 0 315.372 4.561 10 0 DJAERN CCN(CC)C(=O)c1cccc(-c2nc(C(C)(C)C)cs2)c1 ZINC000033310169 563519699 /nfs/dbraw/zinc/51/96/99/563519699.db2.gz ODANLSQJVNDKJT-UHFFFAOYSA-N 0 0 316.470 4.590 10 0 DJAERN C/N=c1/scc(-c2ccc(F)c(Cl)c2)n1-c1ccccc1 ZINC000100053365 563545556 /nfs/dbraw/zinc/54/55/56/563545556.db2.gz BZRPYFUUCCXMNN-KNTRCKAVSA-N 0 0 318.804 4.529 10 0 DJAERN Cc1sc(-c2ccc([C@H]3CCO3)cc2)cc1Br ZINC000725265218 563571007 /nfs/dbraw/zinc/57/10/07/563571007.db2.gz POVMVJMNIQFINP-CYBMUJFWSA-N 0 0 309.228 4.947 10 0 DJAERN CCC[C@@H]1CCc2[nH]nc(-c3cccc(Br)c3)c2C1 ZINC000725265572 563571615 /nfs/dbraw/zinc/57/16/15/563571615.db2.gz KGLGIEQQXVUWMF-LLVKDONJSA-N 0 0 319.246 4.744 10 0 DJAERN CCn1cc(C(F)F)c(-c2cccc(Br)c2C)n1 ZINC000725270585 563575978 /nfs/dbraw/zinc/57/59/78/563575978.db2.gz QASVCNVPBTUKGM-UHFFFAOYSA-N 0 0 315.161 4.579 10 0 DJAERN O=C(Nc1cccc(Cl)c1Cl)OCc1ccc(F)cc1 ZINC000048547174 563924036 /nfs/dbraw/zinc/92/40/36/563924036.db2.gz KOIZYZLXDPLYOL-UHFFFAOYSA-N 0 0 314.143 4.881 10 0 DJAERN O=C(CCc1cccc(F)c1)Nc1c(Cl)cccc1Cl ZINC000048545822 563924073 /nfs/dbraw/zinc/92/40/73/563924073.db2.gz DGPBSDFZZKOUDT-UHFFFAOYSA-N 0 0 312.171 4.704 10 0 DJAERN CCOc1ccc(C(=O)C2CCCCC2)cc1Br ZINC000096888727 185390166 /nfs/dbraw/zinc/39/01/66/185390166.db2.gz LOTCXYWNXIQTET-UHFFFAOYSA-N 0 0 311.219 4.611 10 0 DJAERN Cc1cc(C)c([C@H](O)c2cccs2)c(C)c1Br ZINC000083161598 185215090 /nfs/dbraw/zinc/21/50/90/185215090.db2.gz DXCSUYQPWCGOJD-CQSZACIVSA-N 0 0 311.244 4.518 10 0 DJAERN Cc1ccc(S(=O)(=O)/C(=C/c2ccco2)c2ccccc2)cc1 ZINC000090395426 185294215 /nfs/dbraw/zinc/29/42/15/185294215.db2.gz GYMCBNMPGCOYCA-XMHGGMMESA-N 0 0 324.401 4.560 10 0 DJAERN CCCCCCOc1ccc(-c2ccc(OCCO)cc2)cc1 ZINC000090443439 185296886 /nfs/dbraw/zinc/29/68/86/185296886.db2.gz RFRDMDWXHAJDAP-UHFFFAOYSA-N 0 0 314.425 4.684 10 0 DJAERN NC(=O)c1cccc2ccc(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000090585687 185305148 /nfs/dbraw/zinc/30/51/48/185305148.db2.gz YOKADCXMAWSDIN-UHFFFAOYSA-N 0 0 324.383 4.668 10 0 DJAERN COc1ccc([C@]2(C)CC(c3ccc4ccccc4c3)=NO2)cc1 ZINC000090547328 185302039 /nfs/dbraw/zinc/30/20/39/185302039.db2.gz CDXMYSMPIVGUSY-NRFANRHFSA-N 0 0 317.388 4.888 10 0 DJAERN CC1(C)Cc2ccc(F)cc2N(c2cnc3ccccc3c2)C1=O ZINC000090558481 185303178 /nfs/dbraw/zinc/30/31/78/185303178.db2.gz UJCBFWQWXPBSDJ-UHFFFAOYSA-N 0 0 320.367 4.621 10 0 DJAERN Ic1ccccc1-c1coc2ccccc21 ZINC000090560925 185303539 /nfs/dbraw/zinc/30/35/39/185303539.db2.gz WXTXKOCRMPFZCP-UHFFFAOYSA-N 0 0 320.129 4.704 10 0 DJAERN CC1(C)CC(=O)N(c2cnc3ccccc3c2)c2cccc(F)c21 ZINC000090649174 185307855 /nfs/dbraw/zinc/30/78/55/185307855.db2.gz GIKMDROKQSYHJL-UHFFFAOYSA-N 0 0 320.367 4.720 10 0 DJAERN CCc1cccc(CC)c1-c1nc(-c2ccccc2)c(C=O)o1 ZINC000090669505 185308972 /nfs/dbraw/zinc/30/89/72/185308972.db2.gz FMDZIPUNVKSRKI-UHFFFAOYSA-N 0 0 305.377 4.946 10 0 DJAERN O=C(/C=C\c1ccco1)N1c2ccccc2CCc2ccccc21 ZINC000033247055 190660864 /nfs/dbraw/zinc/66/08/64/190660864.db2.gz XSSCFENEVOKWBJ-YPKPFQOOSA-N 0 0 315.372 4.756 10 0 DJAERN Cc1cccc(OCc2ccc(Br)cc2F)c1C ZINC000070133704 190861207 /nfs/dbraw/zinc/86/12/07/190861207.db2.gz WFVSORXDUCCXBV-UHFFFAOYSA-N 0 0 309.178 4.784 10 0 DJAERN Cc1ccc(OCCCOc2ccccc2)c(Br)c1 ZINC000070137800 190862361 /nfs/dbraw/zinc/86/23/61/190862361.db2.gz NANQNSTUFTWITB-UHFFFAOYSA-N 0 0 321.214 4.605 10 0 DJAERN O=Cc1c(Cl)n(Cc2ccccc2)c2c1cccc2Cl ZINC000071466052 190979872 /nfs/dbraw/zinc/97/98/72/190979872.db2.gz IIYNVMWNJRLEOH-UHFFFAOYSA-N 0 0 304.176 4.809 10 0 DJAERN CCN(CC)c1nc2ccccc2c(Nc2ccc(C)cc2)n1 ZINC000072260464 191088874 /nfs/dbraw/zinc/08/88/74/191088874.db2.gz KAZSVMAIRFVKQJ-UHFFFAOYSA-N 0 0 306.413 4.528 10 0 DJAERN CCOC(=O)c1ccc2nc(-c3ccccc3)cc(Cl)c2c1 ZINC000000163625 180712371 /nfs/dbraw/zinc/71/23/71/180712371.db2.gz KOGXNXXHPDLPST-UHFFFAOYSA-N 0 0 311.768 4.732 10 0 DJAERN COc1cccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 ZINC000001937099 180903146 /nfs/dbraw/zinc/90/31/46/180903146.db2.gz RUPHCHOCMDOINI-SOFGYWHQSA-N 0 0 322.191 4.654 10 0 DJAERN Brc1ccc(-c2ccc(-c3ccccn3)nc2)cc1 ZINC000002525167 180932223 /nfs/dbraw/zinc/93/22/23/180932223.db2.gz HMXPGCZMCNFBFK-UHFFFAOYSA-N 0 0 311.182 4.573 10 0 DJAERN CCCCC(=O)Nc1ccc2c3c(cccc31)C(=O)N2CCCC ZINC000004223932 181086134 /nfs/dbraw/zinc/08/61/34/181086134.db2.gz OGSRARPXEQGXBB-UHFFFAOYSA-N 0 0 324.424 4.729 10 0 DJAERN Cc1c2nc(NC(=O)c3ccccc3)sc2ccc1Cl ZINC000004330737 181098676 /nfs/dbraw/zinc/09/86/76/181098676.db2.gz CSWDBCQIBMLHMR-UHFFFAOYSA-N 0 0 302.786 4.510 10 0 DJAERN COc1ccc(CCC(=O)c2ccc(C)cc2)c2ccccc12 ZINC000077303381 191689433 /nfs/dbraw/zinc/68/94/33/191689433.db2.gz OAEYOACAIORYEB-UHFFFAOYSA-N 0 0 304.389 4.972 10 0 in-vitro DJAERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000078447064 191863893 /nfs/dbraw/zinc/86/38/93/191863893.db2.gz PQNATXXEEOHTRT-JXFKEZNVSA-N 0 0 322.452 4.897 10 0 DJAERN CCCCC(NC(=O)C(C)C)(c1ccccc1)c1ccccc1 ZINC000005308320 181228443 /nfs/dbraw/zinc/22/84/43/181228443.db2.gz CHYYFIAJBIZSJR-UHFFFAOYSA-N 0 0 309.453 4.893 10 0 DJAERN CCCCN(CCCC)C(=O)c1ccc(OCC)c(OCC)c1 ZINC000005419402 181241480 /nfs/dbraw/zinc/24/14/80/181241480.db2.gz XBYWVUMDMQNUOM-UHFFFAOYSA-N 0 0 321.461 4.526 10 0 DJAERN COc1cc(SC)ccc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000005498632 181249984 /nfs/dbraw/zinc/24/99/84/181249984.db2.gz SMYDGKPZURJEJC-UHFFFAOYSA-N 0 0 315.438 4.793 10 0 DJAERN Cc1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000005796052 181284929 /nfs/dbraw/zinc/28/49/29/181284929.db2.gz SCWVRYUEVLVJJS-UHFFFAOYSA-N 0 0 317.388 4.826 10 0 DJAERN CCCc1c(CCC)c(OC(C)=O)c2ccccc2c1OC ZINC000005844292 181289029 /nfs/dbraw/zinc/28/90/29/181289029.db2.gz DOVGSQNKDIRAJZ-UHFFFAOYSA-N 0 0 300.398 4.679 10 0 DJAERN CC(C)c1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1 ZINC000005913180 181295880 /nfs/dbraw/zinc/29/58/80/181295880.db2.gz GOBSTRDNJUCJPY-UHFFFAOYSA-N 0 0 323.421 4.581 10 0 DJAERN Brc1ccccc1CSc1nc2ccccc2[nH]1 ZINC000006039066 181307517 /nfs/dbraw/zinc/30/75/17/181307517.db2.gz ZHKMSWMFGFLYFE-UHFFFAOYSA-N 0 0 319.227 4.618 10 0 DJAERN COc1cccc(/C=C/C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000006270534 181325095 /nfs/dbraw/zinc/32/50/95/181325095.db2.gz VSNZIODKHPCRFH-AATRIKPKSA-N 0 0 322.191 4.654 10 0 DJAERN CCC[C@H](C)C(=O)Nc1nc(-c2ccccc2)c(CC)s1 ZINC000006311361 181328435 /nfs/dbraw/zinc/32/84/35/181328435.db2.gz YTLDIXPLCJBORW-LBPRGKRZSA-N 0 0 302.443 4.747 10 0 DJAERN CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000006396719 181337446 /nfs/dbraw/zinc/33/74/46/181337446.db2.gz XATRMCRWIGTLKG-UHFFFAOYSA-N 0 0 324.424 4.684 10 0 DJAERN COC(=O)c1ccc(CSc2cc(C)c3ccccc3n2)cc1 ZINC000006613263 181360809 /nfs/dbraw/zinc/36/08/09/181360809.db2.gz RIGCZTFOUFXTAG-UHFFFAOYSA-N 0 0 323.417 4.622 10 0 DJAERN O=C(NCc1ccccc1)/C(=C\c1ccccc1)c1ccccc1 ZINC000006597185 181359497 /nfs/dbraw/zinc/35/94/97/181359497.db2.gz XELPPRYABXLWBO-PGMHBOJBSA-N 0 0 313.400 4.544 10 0 DJAERN O=C(c1cccs1)c1cc2ccccc2nc1C(F)(F)F ZINC000091692112 193092872 /nfs/dbraw/zinc/09/28/72/193092872.db2.gz RVZXBMNCYUYQCF-UHFFFAOYSA-N 0 0 307.296 4.546 10 0 DJAERN Cc1ccccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000261508364 203073322 /nfs/dbraw/zinc/07/33/22/203073322.db2.gz RSBQPXRPROFCJX-MQVJKMGUSA-N 0 0 301.430 4.641 10 0 DJAERN CC(C)Oc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000007668920 181485107 /nfs/dbraw/zinc/48/51/07/181485107.db2.gz JQTZSLUHSIVFIL-UHFFFAOYSA-N 0 0 323.314 4.745 10 0 DJAERN COC(=O)[C@@H]1CCC[C@]2(C)[C@@H]3CC=C(C(C)C)C=C3CC[C@@H]12 ZINC000095921548 193449472 /nfs/dbraw/zinc/44/94/72/193449472.db2.gz ZJDAQSFGUSWPDN-FTEYMNFISA-N 0 0 302.458 4.905 10 0 DJAERN CCc1cccc(C)c1NC(=O)[C@H](C)Oc1c(C)cccc1C ZINC000008163320 181531753 /nfs/dbraw/zinc/53/17/53/181531753.db2.gz XHFUPOYZIBKQNG-INIZCTEOSA-N 0 0 311.425 4.580 10 0 DJAERN CCC(CC)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000008187547 181533719 /nfs/dbraw/zinc/53/37/19/181533719.db2.gz ZMACKZQGSVVQCL-UHFFFAOYSA-N 0 0 308.381 4.870 10 0 DJAERN Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000008548429 181563004 /nfs/dbraw/zinc/56/30/04/181563004.db2.gz YXBYTZQFYYCJQT-UHFFFAOYSA-N 0 0 314.747 4.588 10 0 DJAERN Cc1cc(Cl)ccc1NC(=O)c1ccnc(C(C)(C)C)c1 ZINC000008549194 181563246 /nfs/dbraw/zinc/56/32/46/181563246.db2.gz QJEQFPBHWNQQSC-UHFFFAOYSA-N 0 0 302.805 4.593 10 0 DJAERN Cc1ccc(C(=O)Nc2nc3c(cccc3C(C)C)s2)cc1 ZINC000008967525 181593231 /nfs/dbraw/zinc/59/32/31/181593231.db2.gz OAGSUSBYDBKGMB-UHFFFAOYSA-N 0 0 310.422 4.980 10 0 DJAERN CC[C@H](C)Oc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1 ZINC000009270019 181611448 /nfs/dbraw/zinc/61/14/48/181611448.db2.gz PQSMEPWKULDTOG-DBTPVHCXSA-N 0 0 309.409 4.824 10 0 DJAERN CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1F ZINC000009869190 181644486 /nfs/dbraw/zinc/64/44/86/181644486.db2.gz FMCILMSSAVHTTE-KBPBESRZSA-N 0 0 315.388 4.745 10 0 DJAERN Cc1nc(NC(=O)c2cccc(SC(C)C)c2)sc1C ZINC000010590858 181674756 /nfs/dbraw/zinc/67/47/56/181674756.db2.gz QUZMJCIZPYNOGH-UHFFFAOYSA-N 0 0 306.456 4.513 10 0 DJAERN Fc1ccc(Nc2nc(Cl)nc3ccccc32)cc1Cl ZINC000011756234 181703492 /nfs/dbraw/zinc/70/34/92/181703492.db2.gz QRFQUZQSSCGPTC-UHFFFAOYSA-N 0 0 308.143 4.819 10 0 DJAERN Nc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000013283521 181841582 /nfs/dbraw/zinc/84/15/82/181841582.db2.gz VLRCWMCCIMHGEI-UHFFFAOYSA-N 0 0 311.388 4.993 10 0 DJAERN Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000013627297 181870333 /nfs/dbraw/zinc/87/03/33/181870333.db2.gz ADPVVEVITHOAKR-MRXNPFEDSA-N 0 0 319.404 4.863 10 0 DJAERN C[C@@H](NC(=S)Nc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000013819535 181901781 /nfs/dbraw/zinc/90/17/81/181901781.db2.gz DSIJQPKJVNOPJE-PGBRGIIUSA-N 0 0 314.498 4.578 10 0 DJAERN CCc1ccc([C@H](C)NC(=S)Nc2ccc(C)c(C)c2)cc1 ZINC000013931047 181910735 /nfs/dbraw/zinc/91/07/35/181910735.db2.gz CYQVTXKQCYECKT-HNNXBMFYSA-N 0 0 312.482 4.913 10 0 DJAERN Cc1ccc(-c2sc(=S)n3c2[nH]c(=O)c2ccccc23)cc1 ZINC000015828620 182019129 /nfs/dbraw/zinc/01/91/29/182019129.db2.gz NJBHNNHLKJXJIM-UHFFFAOYSA-N 0 0 324.430 4.547 10 0 DJAERN Cc1c(Cc2c3ccccc3n(C)c2C)c2ccccc2n1C ZINC000015779744 182016937 /nfs/dbraw/zinc/01/69/37/182016937.db2.gz NDHBRUABALENBR-UHFFFAOYSA-N 0 0 302.421 4.878 10 0 DJAERN Cc1cccc(C)c1NC(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000015992659 182028186 /nfs/dbraw/zinc/02/81/86/182028186.db2.gz ZUVPFTIRAPILSZ-MDZDMXLPSA-N 0 0 319.326 4.974 10 0 DJAERN CC[C@H](C(=O)N[C@H](C)c1cccc(Cl)c1)c1ccccc1 ZINC000016018275 182029270 /nfs/dbraw/zinc/02/92/70/182029270.db2.gz MUZILJYTXQKTBN-DYVFJYSZSA-N 0 0 301.817 4.711 10 0 DJAERN Nc1cccc(Cl)c1Oc1ccc(F)cc1Br ZINC000019845714 182156383 /nfs/dbraw/zinc/15/63/83/182156383.db2.gz FCXOJEVYVZUYTM-UHFFFAOYSA-N 0 0 316.557 4.616 10 0 DJAERN Brc1ccc(CNc2cccc3cccnc32)cc1 ZINC000019903608 182162212 /nfs/dbraw/zinc/16/22/12/182162212.db2.gz LXJBGVRFWRNUQD-UHFFFAOYSA-N 0 0 313.198 4.609 10 0 DJAERN FC(F)(F)c1ccccc1NCc1ccc(Br)o1 ZINC000019905189 182162374 /nfs/dbraw/zinc/16/23/74/182162374.db2.gz FPBGAJKSWFQDPT-UHFFFAOYSA-N 0 0 320.108 4.673 10 0 DJAERN CCOc1ccc(CNc2ccc(Br)cc2F)cc1 ZINC000019907946 182163090 /nfs/dbraw/zinc/16/30/90/182163090.db2.gz JCBKTUUBKUWHCW-UHFFFAOYSA-N 0 0 324.193 4.599 10 0 DJAERN COc1ccc(C)cc1[C@H](C)Nc1ccccc1Br ZINC000019922839 182164259 /nfs/dbraw/zinc/16/42/59/182164259.db2.gz AHAZIJCVGPPCBN-LBPRGKRZSA-N 0 0 320.230 4.939 10 0 DJAERN Nc1ccc(Oc2ccc(F)cc2Br)c(Cl)c1 ZINC000019845713 182156840 /nfs/dbraw/zinc/15/68/40/182156840.db2.gz WVHSRJMXJHZKLE-UHFFFAOYSA-N 0 0 316.557 4.616 10 0 DJAERN Nc1cc(F)ccc1Oc1ccc(Cl)cc1Br ZINC000019869165 182159114 /nfs/dbraw/zinc/15/91/14/182159114.db2.gz KJHYUGRHXASYNM-UHFFFAOYSA-N 0 0 316.557 4.616 10 0 DJAERN CC(=O)c1c(F)cccc1Oc1cccc(Br)c1 ZINC000019871538 182159180 /nfs/dbraw/zinc/15/91/80/182159180.db2.gz SJLNZDFQIRWCLJ-UHFFFAOYSA-N 0 0 309.134 4.583 10 0 DJAERN COc1cc(OC)c(N[C@H](C)c2ccc(C)cc2)cc1Cl ZINC000019986393 182173494 /nfs/dbraw/zinc/17/34/94/182173494.db2.gz RQZKHERCMSPCRR-GFCCVEGCSA-N 0 0 305.805 4.839 10 0 DJAERN Cc1cccc(NC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000020014256 182178302 /nfs/dbraw/zinc/17/83/02/182178302.db2.gz PDMSUOOBSITMDJ-UHFFFAOYSA-N 0 0 319.202 4.710 10 0 DJAERN C[C@H](Nc1cc(C(F)(F)F)ccc1Cl)c1ccccn1 ZINC000020014838 182178528 /nfs/dbraw/zinc/17/85/28/182178528.db2.gz NZLXWQDNENZTQH-VIFPVBQESA-N 0 0 300.711 4.927 10 0 DJAERN C[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)c1cccnc1 ZINC000020020173 182179106 /nfs/dbraw/zinc/17/91/06/182179106.db2.gz UEBYKPZPJBTWDL-SECBINFHSA-N 0 0 300.711 4.927 10 0 DJAERN O=Cc1c(Cl)cccc1Oc1ccc(Br)cc1 ZINC000020019645 182179114 /nfs/dbraw/zinc/17/91/14/182179114.db2.gz SHRPVKSMBIBYJH-UHFFFAOYSA-N 0 0 311.562 4.707 10 0 DJAERN N=C1c2ccccc2CN1c1c(Cl)cc(Cl)cc1Cl ZINC000020303735 182204288 /nfs/dbraw/zinc/20/42/88/182204288.db2.gz WUXDICBLCOGZQT-UHFFFAOYSA-N 0 0 311.599 4.992 10 0 DJAERN Cc1ccc2oc([C@H](N)c3ccc(Br)cc3)cc2c1 ZINC000020389408 182213558 /nfs/dbraw/zinc/21/35/58/182213558.db2.gz BVSLVJJMTTZPIM-MRXNPFEDSA-N 0 0 316.198 4.552 10 0 DJAERN Nc1nc(-c2cccc(OCc3ccc(Cl)cc3)c2)cs1 ZINC000020331166 182208582 /nfs/dbraw/zinc/20/85/82/182208582.db2.gz PEFWVEJMYBEOEY-UHFFFAOYSA-N 0 0 316.813 4.625 10 0 DJAERN Cc1ccc(-c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1 ZINC000020369344 182212579 /nfs/dbraw/zinc/21/25/79/182212579.db2.gz JXCCFQZKNNJQLU-UHFFFAOYSA-N 0 0 324.430 4.689 10 0 DJAERN C[C@@H](Nc1c(F)cccc1F)c1cccc(Br)c1 ZINC000020476259 182221837 /nfs/dbraw/zinc/22/18/37/182221837.db2.gz XYPMCUKUQHOEHB-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN Fc1ccc(N[C@@H]2CCOc3ccccc32)c(Br)c1 ZINC000020430340 182216481 /nfs/dbraw/zinc/21/64/81/182216481.db2.gz ARFUGQCTRXULED-CYBMUJFWSA-N 0 0 322.177 4.524 10 0 DJAERN C[C@@H](Nc1ccc(F)cc1Br)c1ccc(F)cc1 ZINC000020430511 182216490 /nfs/dbraw/zinc/21/64/90/182216490.db2.gz BLZHBYCNKPYNHY-SECBINFHSA-N 0 0 312.157 4.900 10 0 DJAERN Fc1ccc(NCc2ccccc2Cl)c(Br)c1 ZINC000020430645 182216600 /nfs/dbraw/zinc/21/66/00/182216600.db2.gz AJKZLUAHWRGPOC-UHFFFAOYSA-N 0 0 314.585 4.854 10 0 DJAERN FC(F)(F)CNc1c(Cl)cc(Br)cc1Cl ZINC000020505932 182225976 /nfs/dbraw/zinc/22/59/76/182225976.db2.gz XCXYEPANYQUXKI-UHFFFAOYSA-N 0 0 322.939 4.730 10 0 DJAERN Cc1cc(Br)ccc1-n1c2ccccc2[nH]c1=S ZINC000020585996 182235892 /nfs/dbraw/zinc/23/58/92/182235892.db2.gz JONXKXWZVQUTDS-UHFFFAOYSA-N 0 0 319.227 4.759 10 0 DJAERN COc1ccc(CNc2cc(Cl)ccc2Cl)c(OC)c1 ZINC000021012374 182259737 /nfs/dbraw/zinc/25/97/37/182259737.db2.gz OTVQTWFJGOMHTE-UHFFFAOYSA-N 0 0 312.196 4.623 10 0 DJAERN CCOc1cc(CNc2cc(Cl)cc(Cl)c2)ccc1O ZINC000021505994 182276145 /nfs/dbraw/zinc/27/61/45/182276145.db2.gz NRHIFZGQAMZPIU-UHFFFAOYSA-N 0 0 312.196 4.710 10 0 DJAERN CC(=O)c1cc(F)ccc1Oc1ccc(C)cc1Br ZINC000021509575 182276364 /nfs/dbraw/zinc/27/63/64/182276364.db2.gz ACCNSABYJPTHOK-UHFFFAOYSA-N 0 0 323.161 4.892 10 0 DJAERN CC1CCC(Nc2c(-c3ccc(F)cc3)nc3ncccn32)CC1 ZINC000021631378 182281502 /nfs/dbraw/zinc/28/15/02/182281502.db2.gz UUQZWGHFYSNZCM-UHFFFAOYSA-N 0 0 324.403 4.526 10 0 DJAERN O=C(Oc1ccccc1)N(O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000027983203 182502042 /nfs/dbraw/zinc/50/20/42/182502042.db2.gz ZDJAASBEHIQNEY-UHFFFAOYSA-N 0 0 317.344 4.652 10 0 DJAERN Cc1ccc2c(Cl)nc(C(F)(F)c3ccc(F)cc3)nc2c1 ZINC000098178746 193791635 /nfs/dbraw/zinc/79/16/35/193791635.db2.gz BLXNTRYIWFVCTA-UHFFFAOYSA-N 0 0 322.717 4.871 10 0 DJAERN Clc1ccc([C@@H]2CCc3cc(Br)cnc3O2)cc1 ZINC000029342463 182561308 /nfs/dbraw/zinc/56/13/08/182561308.db2.gz XSGYDKJCYGLHOL-ZDUSSCGKSA-N 0 0 324.605 4.564 10 0 DJAERN COc1ccc(C(=O)c2c(Cl)cccc2Cl)c(Cl)c1 ZINC000036767373 182842356 /nfs/dbraw/zinc/84/23/56/182842356.db2.gz TUGAJQKRXRHGDN-UHFFFAOYSA-N 0 0 315.583 4.886 10 0 DJAERN O=C(c1ccc(-c2ccccc2Br)s1)C1CC1 ZINC000036927509 182853078 /nfs/dbraw/zinc/85/30/78/182853078.db2.gz NZSGTXCHUZGKOT-UHFFFAOYSA-N 0 0 307.212 4.770 10 0 DJAERN Cc1ccc(C(=O)c2cc(Br)ccc2Cl)cc1 ZINC000037287671 182878427 /nfs/dbraw/zinc/87/84/27/182878427.db2.gz WSFSGMFJQAVADA-UHFFFAOYSA-N 0 0 309.590 4.642 10 0 DJAERN CCOc1ccccc1NC(=O)c1oc2ccc(CC)cc2c1C ZINC000040037330 183028816 /nfs/dbraw/zinc/02/88/16/183028816.db2.gz YXWDZROXJBJPKY-UHFFFAOYSA-N 0 0 323.392 4.955 10 0 DJAERN Cc1cc(C)cc(OCCCn2cnc3cc(C)c(C)cc32)c1 ZINC000040224087 183046913 /nfs/dbraw/zinc/04/69/13/183046913.db2.gz XJNXXDYTEVJFHX-UHFFFAOYSA-N 0 0 308.425 4.739 10 0 DJAERN CCc1nc2ccccc2n1CCCOc1ccc(C)cc1C ZINC000040227389 183047878 /nfs/dbraw/zinc/04/78/78/183047878.db2.gz RALDPDXZDPBBFL-UHFFFAOYSA-N 0 0 308.425 4.685 10 0 DJAERN CCN(C(=O)c1nc(C)sc1-c1ccccc1)c1ccccc1 ZINC000040326391 183053943 /nfs/dbraw/zinc/05/39/43/183053943.db2.gz PYNMBNSAPWAFBT-UHFFFAOYSA-N 0 0 322.433 4.785 10 0 DJAERN Cc1ccc(C(=O)Nc2ccnc3c(C)c(Cl)ccc23)cc1 ZINC000040359191 183056298 /nfs/dbraw/zinc/05/62/98/183056298.db2.gz FHFRHOLRWHYRBR-UHFFFAOYSA-N 0 0 310.784 4.757 10 0 DJAERN Cc1cc(NC(=O)c2ccccc2)c2ccc(Cl)c(C)c2n1 ZINC000040359536 183057103 /nfs/dbraw/zinc/05/71/03/183057103.db2.gz TWWVXZDVLSXVNR-UHFFFAOYSA-N 0 0 310.784 4.757 10 0 DJAERN Cc1cc(Cl)cn2cc(-c3cccc(Br)c3)nc12 ZINC000040383806 183059629 /nfs/dbraw/zinc/05/96/29/183059629.db2.gz SOFNPIBQKRNIRA-UHFFFAOYSA-N 0 0 321.605 4.726 10 0 DJAERN CCn1c(COc2ccccc2C)nc2ccc(Cl)cc21 ZINC000040417230 183063683 /nfs/dbraw/zinc/06/36/83/183063683.db2.gz LJQARSGNPPQADY-UHFFFAOYSA-N 0 0 300.789 4.597 10 0 DJAERN CCn1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040417224 183063712 /nfs/dbraw/zinc/06/37/12/183063712.db2.gz FNTSOQIYYJMDFH-UHFFFAOYSA-N 0 0 321.207 4.942 10 0 DJAERN CCn1c2ccc(Cl)cc2nc1Cc1ccc(Cl)cc1 ZINC000040417197 183063782 /nfs/dbraw/zinc/06/37/82/183063782.db2.gz QHPZPXANBRAUEJ-UHFFFAOYSA-N 0 0 305.208 4.954 10 0 DJAERN Cc1ccc(Nc2ncnc(Sc3ccc(C)cc3)c2N)cc1 ZINC000040782032 183133036 /nfs/dbraw/zinc/13/30/36/183133036.db2.gz JWASXIAZZMJSKD-UHFFFAOYSA-N 0 0 322.437 4.570 10 0 DJAERN Nc1ccc(-c2csc(Cc3ccc(Cl)cc3)n2)cc1 ZINC000040887206 183146365 /nfs/dbraw/zinc/14/63/65/183146365.db2.gz IREKQVYEOPZCMH-UHFFFAOYSA-N 0 0 300.814 4.637 10 0 DJAERN Nc1cccc(-c2csc(Cc3ccc(Cl)cc3)n2)c1 ZINC000040887242 183146641 /nfs/dbraw/zinc/14/66/41/183146641.db2.gz ZZMNVLJINIISKH-UHFFFAOYSA-N 0 0 300.814 4.637 10 0 DJAERN Cc1cc(OCCCC(=O)Nc2ccccc2)cc(C)c1Cl ZINC000040912572 183148308 /nfs/dbraw/zinc/14/83/08/183148308.db2.gz CJYROFNIIPAYDW-UHFFFAOYSA-N 0 0 317.816 4.755 10 0 DJAERN CC(C)c1nn2cc(-c3ccc(Cl)cc3Cl)nc2s1 ZINC000040963598 183152072 /nfs/dbraw/zinc/15/20/72/183152072.db2.gz TVQQGIJBFLVWRE-UHFFFAOYSA-N 0 0 312.225 4.888 10 0 DJAERN COc1ccc2c(c1)sc1nc(-c3cc(C)ccc3C)cn21 ZINC000040964287 183152248 /nfs/dbraw/zinc/15/22/48/183152248.db2.gz WNFTUZUCBVABAE-UHFFFAOYSA-N 0 0 308.406 4.841 10 0 DJAERN Cc1ccc2c(NC(=O)/C=C/c3ccccc3)ccnc2c1C ZINC000041057961 183160748 /nfs/dbraw/zinc/16/07/48/183160748.db2.gz IBODBJPQBMAETG-PKNBQFBNSA-N 0 0 302.377 4.504 10 0 DJAERN CC(C)c1ccc(C[C@@H](CO)Cc2cccc(Cl)c2)cc1 ZINC000041516736 183196601 /nfs/dbraw/zinc/19/66/01/183196601.db2.gz SEEYTETYZCYCNI-QGZVFWFLSA-N 0 0 302.845 4.857 10 0 DJAERN Cc1cc(C)c(C[C@@H](CO)Cc2ccccc2Cl)c(C)c1 ZINC000041516744 183196711 /nfs/dbraw/zinc/19/67/11/183196711.db2.gz ZHVXUJSXICWZDU-INIZCTEOSA-N 0 0 302.845 4.659 10 0 DJAERN Cc1ccccc1C[C@@H](CO)Cc1ccc(Cl)c(Cl)c1 ZINC000041543087 183201337 /nfs/dbraw/zinc/20/13/37/183201337.db2.gz VDSONEFNGJJHOW-AWEZNQCLSA-N 0 0 309.236 4.696 10 0 DJAERN Cc1ccc(C[C@@H](CO)Cc2ccc(Cl)cc2Cl)cc1 ZINC000041543081 183201371 /nfs/dbraw/zinc/20/13/71/183201371.db2.gz HRHDGVRVHLSCNR-CQSZACIVSA-N 0 0 309.236 4.696 10 0 DJAERN Clc1ccc(Oc2ccc(Br)cn2)c(Cl)c1 ZINC000042389087 183262437 /nfs/dbraw/zinc/26/24/37/183262437.db2.gz LGJJPHNGFBCAGH-UHFFFAOYSA-N 0 0 318.985 4.943 10 0 DJAERN Nc1cc(Br)ccc1Nc1ccc(Cl)c(F)c1 ZINC000042577863 183286610 /nfs/dbraw/zinc/28/66/10/183286610.db2.gz IVOSTKBBFHFAFC-UHFFFAOYSA-N 0 0 315.573 4.567 10 0 DJAERN COc1ccc(/C=C2\CCCc3c2noc3C(F)(F)F)cc1 ZINC000043463777 183364941 /nfs/dbraw/zinc/36/49/41/183364941.db2.gz XUWIXTOUCWYGSW-PKNBQFBNSA-N 0 0 309.287 4.579 10 0 DJAERN Oc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1Cl ZINC000043476745 183365826 /nfs/dbraw/zinc/36/58/26/183365826.db2.gz CVMVXNPDPXKFCY-UHFFFAOYSA-N 0 0 302.588 4.965 10 0 DJAERN Nc1ccc2nc(SCc3cccc(Cl)c3)sc2c1 ZINC000044172663 183397085 /nfs/dbraw/zinc/39/70/85/183397085.db2.gz KAUNEXBLGFNLAK-UHFFFAOYSA-N 0 0 306.843 4.824 10 0 DJAERN Brc1ccc2cc(Oc3ccccn3)ccc2c1 ZINC000047915258 183609303 /nfs/dbraw/zinc/60/93/03/183609303.db2.gz CFQYIZUZYJJKFI-UHFFFAOYSA-N 0 0 300.155 4.790 10 0 DJAERN C[C@@H](c1cccs1)N(C)c1cc(Br)ccc1C=O ZINC000049727466 183756719 /nfs/dbraw/zinc/75/67/19/183756719.db2.gz ORFDOGFNOPPLPA-JTQLQIEISA-N 0 0 324.243 4.521 10 0 DJAERN C[C@@](O)(c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000053146699 183890421 /nfs/dbraw/zinc/89/04/21/183890421.db2.gz MPLOJFRHTWZMLW-CQSZACIVSA-N 0 0 301.600 4.903 10 0 DJAERN C[C@@H](Sc1cccc(Cl)c1)C(=O)c1ccc(F)cc1F ZINC000054185852 183928274 /nfs/dbraw/zinc/92/82/74/183928274.db2.gz PCFIGERQRNRLIX-SECBINFHSA-N 0 0 312.768 4.982 10 0 DJAERN CCCOc1cccc([C@H](O)c2cc(Cl)sc2Cl)c1 ZINC000061668226 184181948 /nfs/dbraw/zinc/18/19/48/184181948.db2.gz PUGKKHAXIHYUES-ZDUSSCGKSA-N 0 0 317.237 4.925 10 0 DJAERN Nc1cc(F)ccc1Nc1cc(Br)ccc1Cl ZINC000061691075 184182803 /nfs/dbraw/zinc/18/28/03/184182803.db2.gz OVFIWVBPBIFXIW-UHFFFAOYSA-N 0 0 315.573 4.567 10 0 DJAERN O[C@@H](c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000061903787 184193945 /nfs/dbraw/zinc/19/39/45/184193945.db2.gz XEXKJURGOMQHBN-OAHLLOKOSA-N 0 0 301.798 4.545 10 0 DJAERN C[C@@H](CCNc1ccc(Br)cc1N)c1ccccc1 ZINC000061910188 184194598 /nfs/dbraw/zinc/19/45/98/184194598.db2.gz NQIBMNIEVINNQW-LBPRGKRZSA-N 0 0 319.246 4.637 10 0 DJAERN O[C@@H](c1nc(-c2ccc(F)c(Cl)c2)cs1)c1ccccc1 ZINC000061907613 184194605 /nfs/dbraw/zinc/19/46/05/184194605.db2.gz IYBTYDCSCBRJLQ-OAHLLOKOSA-N 0 0 319.788 4.684 10 0 DJAERN Nc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000064871527 184305370 /nfs/dbraw/zinc/30/53/70/184305370.db2.gz WXVUJZHGHWGLSC-UHFFFAOYSA-N 0 0 311.388 4.993 10 0 DJAERN CCc1ccc(NC(=O)c2cccc(C)c2)c(Br)c1 ZINC000065000278 184307927 /nfs/dbraw/zinc/30/79/27/184307927.db2.gz NGBYEGZCQZSNJL-UHFFFAOYSA-N 0 0 318.214 4.572 10 0 DJAERN CCCCc1ccc(NC(=O)C=C(C)C)c(Br)c1 ZINC000064985486 184308125 /nfs/dbraw/zinc/30/81/25/184308125.db2.gz UITJQHIBGXIPTQ-UHFFFAOYSA-N 0 0 310.235 4.696 10 0 DJAERN C[C@@H]1c2cccc(-c3ccccc3)c2CCN1C(=O)C(C)(C)C ZINC000065293141 184323847 /nfs/dbraw/zinc/32/38/47/184323847.db2.gz LMFBIXBEUOHFSR-OAHLLOKOSA-N 0 0 307.437 4.845 10 0 DJAERN COc1c(Cl)cc(Cl)cc1CN[C@@H](C)c1ccc(C)o1 ZINC000067439106 184466803 /nfs/dbraw/zinc/46/68/03/184466803.db2.gz ICGHZOQLHRBNFX-JTQLQIEISA-N 0 0 314.212 4.754 10 0 DJAERN CCCCCOC(=O)c1ccccc1C(=O)O[C@H](C)[C@H](C)CC ZINC000504569162 257144165 /nfs/dbraw/zinc/14/41/65/257144165.db2.gz QCVVHVRKVMXOGS-HUUCEWRRSA-N 0 0 320.429 4.625 10 0 DJAERN CC[C@H](C)[C@H](C)C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000180277945 331565531 /nfs/dbraw/zinc/56/55/31/331565531.db2.gz GIGPUNBTPYCPPK-KKUMJFAQSA-N 0 0 322.518 4.655 10 0 DJAERN C[C@@H](c1ccco1)N(C(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000086338899 332020939 /nfs/dbraw/zinc/02/09/39/332020939.db2.gz RKAMBJDXGNRNSB-KBXCAEBGSA-N 0 0 324.424 4.592 10 0 DJAERN Cc1ccc([C@@H](C)N[C@H](C)c2nc3ccc(Cl)cc3n2C)o1 ZINC000091264919 332102616 /nfs/dbraw/zinc/10/26/16/332102616.db2.gz MRXQCKGPSBUUQW-VXGBXAGGSA-N 0 0 317.820 4.540 10 0 DJAERN Cc1noc(C)c1CN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000092329111 332125838 /nfs/dbraw/zinc/12/58/38/332125838.db2.gz AOADPUUALVESFV-QMMMGPOBSA-N 0 0 317.191 4.588 10 0 DJAERN CC(C)c1nnc(CS[C@H]2CCc3c2cccc3Cl)n1C ZINC000182359707 333488080 /nfs/dbraw/zinc/48/80/80/333488080.db2.gz LLSGZWLXPCIDJS-AWEZNQCLSA-N 0 0 321.877 4.513 10 0 DJAERN Cc1ccc([C@H](C)[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)o1 ZINC000067120388 335148196 /nfs/dbraw/zinc/14/81/96/335148196.db2.gz ZCKQRUUQYDDTGV-JTQLQIEISA-N 0 0 315.747 4.694 10 0 DJAERN C[C@@H](c1cccs1)N(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000053955918 335848608 /nfs/dbraw/zinc/84/86/08/335848608.db2.gz GZDJXZIFQZEONE-BBRMVZONSA-N 0 0 314.454 4.528 10 0 DJAERN Cc1nc(C)c([C@@H](C)Nc2ccc(C(F)(F)F)cc2)s1 ZINC000054186858 335876016 /nfs/dbraw/zinc/87/60/16/335876016.db2.gz JQJBXDWAGFGXQY-SECBINFHSA-N 0 0 300.349 4.952 10 0 DJAERN Cc1cc2c(ncnc2SCc2oc(C(C)C)nc2C)s1 ZINC000333681430 336208076 /nfs/dbraw/zinc/20/80/76/336208076.db2.gz LJZLICKLHGRZJP-UHFFFAOYSA-N 0 0 319.455 4.712 10 0 DJAERN C[C@@H](NC(=O)CC1=CCCCC1)c1cccc(Br)c1 ZINC000104102911 336244624 /nfs/dbraw/zinc/24/46/24/336244624.db2.gz WTYYCEBVYUGFEA-GFCCVEGCSA-N 0 0 322.246 4.517 10 0 DJAERN C[C@@H](Nc1nc2ccccc2cc1CO)c1ccccc1Cl ZINC000301197968 336294508 /nfs/dbraw/zinc/29/45/08/336294508.db2.gz LBXPGNMUMLIZIK-GFCCVEGCSA-N 0 0 312.800 4.554 10 0 DJAERN CSc1ccc(N[C@@H](C)c2cc3cc(Cl)ccc3o2)nn1 ZINC000301261565 336297327 /nfs/dbraw/zinc/29/73/27/336297327.db2.gz GKJHQAVDYIOZDD-VIFPVBQESA-N 0 0 319.817 4.771 10 0 DJAERN Cc1nc2ccccc2nc1N[C@@H](C)c1csc(C(C)C)n1 ZINC000301553164 336314468 /nfs/dbraw/zinc/31/44/68/336314468.db2.gz GMJWQQSNHZUONX-NSHDSACASA-N 0 0 312.442 4.691 10 0 DJAERN CCc1cnc([C@H](C)Nc2cc(C)nc3c(F)cccc23)s1 ZINC000301666725 336322003 /nfs/dbraw/zinc/32/20/03/336322003.db2.gz LXFGPOGUJDEKLD-NSHDSACASA-N 0 0 315.417 4.874 10 0 DJAERN C[C@@H](Nc1cncc(SCc2ccccc2)n1)c1ccco1 ZINC000301771628 336328785 /nfs/dbraw/zinc/32/87/85/336328785.db2.gz LANNRPGROKHFQR-CYBMUJFWSA-N 0 0 311.410 4.535 10 0 DJAERN Cc1nc(CNc2cc3ccccc3c(Cl)n2)c(C)s1 ZINC000301846244 336333782 /nfs/dbraw/zinc/33/37/82/336333782.db2.gz UEFBFYSESPZSOH-UHFFFAOYSA-N 0 0 303.818 4.574 10 0 DJAERN FC(F)(F)c1cnc(N2CC=C(c3cccs3)CC2)s1 ZINC000302769729 336368372 /nfs/dbraw/zinc/36/83/72/336368372.db2.gz MOCKTSUQVKHENT-UHFFFAOYSA-N 0 0 316.373 4.517 10 0 DJAERN CSCc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116497193 336840801 /nfs/dbraw/zinc/84/08/01/336840801.db2.gz PLTSQVSYPGUXCT-HNNXBMFYSA-N 0 0 316.426 4.512 10 0 DJAERN CCCCC[C@H](C)CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000173053098 337133328 /nfs/dbraw/zinc/13/33/28/337133328.db2.gz UIZCKOZVNDLUJU-GJZGRUSLSA-N 0 0 308.491 4.803 10 0 DJAERN CC(C)c1csc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)n1 ZINC000173954977 337137890 /nfs/dbraw/zinc/13/78/90/337137890.db2.gz UOHZCDVKSNZEPQ-OAHLLOKOSA-N 0 0 320.502 4.553 10 0 DJAERN O=C(CC1CCCCCC1)N1CCCC[C@H]1c1nccs1 ZINC000176222337 337149794 /nfs/dbraw/zinc/14/97/94/337149794.db2.gz KISYYVVOINULNS-HNNXBMFYSA-N 0 0 306.475 4.557 10 0 DJAERN COc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000178612843 337165443 /nfs/dbraw/zinc/16/54/43/337165443.db2.gz KDVHNJAOWBRQMC-KKSFZXQISA-N 0 0 318.420 4.530 10 0 DJAERN c1ccc([C@@H]([NH2+][C@@H]2CCCc3ccccc32)c2cccnc2)cc1 ZINC000178612808 337165509 /nfs/dbraw/zinc/16/55/09/337165509.db2.gz UIBDAHIQKFRILK-FGZHOGPDSA-N 0 0 314.432 4.838 10 0 DJAERN CC(C)C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccccn1 ZINC000179809800 337171822 /nfs/dbraw/zinc/17/18/22/337171822.db2.gz AYOBOPZUDYODKZ-LJQANCHMSA-N 0 0 323.440 4.556 10 0 DJAERN O=C1CCCc2cc(N[C@H]3CCSc4ccccc43)ccc2N1 ZINC000179814951 337172058 /nfs/dbraw/zinc/17/20/58/337172058.db2.gz CVTHDWMQGXOCMW-KRWDZBQOSA-N 0 0 324.449 4.610 10 0 DJAERN Cc1csc([C@H]2CCCN(C(=O)C3(C)CCCCCC3)C2)n1 ZINC000180879197 337178271 /nfs/dbraw/zinc/17/82/71/337178271.db2.gz YLXUNWGZTJICSX-HNNXBMFYSA-N 0 0 320.502 4.518 10 0 DJAERN Cc1ccccc1[C@H](C)NCc1ncc(-c2ccccc2F)o1 ZINC000181539027 337182905 /nfs/dbraw/zinc/18/29/05/337182905.db2.gz LRYJGLQHHWQJHO-AWEZNQCLSA-N 0 0 310.372 4.640 10 0 DJAERN C[C@@H](NCc1ncc(-c2cccc(Cl)c2)o1)c1cccs1 ZINC000181895370 337185149 /nfs/dbraw/zinc/18/51/49/337185149.db2.gz JSKGFDMZXHTHHG-LLVKDONJSA-N 0 0 318.829 4.907 10 0 DJAERN CCc1nc(C)c([C@@H](C)Nc2cccc(-c3cnco3)c2)s1 ZINC000182830263 337188651 /nfs/dbraw/zinc/18/86/51/337188651.db2.gz IXVYKRPJTPSXOO-LLVKDONJSA-N 0 0 313.426 4.842 10 0 DJAERN Cc1nc2c(s1)[C@H](Nc1cccc(-c3cnco3)c1)CCC2 ZINC000182833991 337190369 /nfs/dbraw/zinc/19/03/69/337190369.db2.gz CZNUJPKPSAREJG-OAHLLOKOSA-N 0 0 311.410 4.596 10 0 DJAERN C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1cccc(F)c1F ZINC000183256427 337192670 /nfs/dbraw/zinc/19/26/70/337192670.db2.gz UECAABIBONNWJT-VBKZILBWSA-N 0 0 324.374 4.800 10 0 DJAERN Cc1cccc([C@@H](C)NCc2ncc(-c3ccccc3)cn2)c1C ZINC000186048245 337253097 /nfs/dbraw/zinc/25/30/97/337253097.db2.gz QZJDJCFSGUSSMJ-QGZVFWFLSA-N 0 0 317.436 4.611 10 0 DJAERN Cc1cc(C)cc([C@H](C)NCc2ncc(-c3ccccc3)cn2)c1 ZINC000186060321 337253166 /nfs/dbraw/zinc/25/31/66/337253166.db2.gz GOITXTRHEVSALO-KRWDZBQOSA-N 0 0 317.436 4.611 10 0 DJAERN Cc1cccc2c1[C@@H](C)C[C@H]2Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186537033 337257344 /nfs/dbraw/zinc/25/73/44/337257344.db2.gz UVKPVUSUIHOSMA-SCLBCKFNSA-N 0 0 321.424 4.633 10 0 DJAERN CC[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc(C)cc1 ZINC000186553706 337257610 /nfs/dbraw/zinc/25/76/10/337257610.db2.gz DVBXXUOHKCRIPZ-KRWDZBQOSA-N 0 0 309.413 4.536 10 0 DJAERN CCCC[C@H](CC)CC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187005596 337261159 /nfs/dbraw/zinc/26/11/59/337261159.db2.gz QGRIKUMCZXLIKB-HOCLYGCPSA-N 0 0 308.491 4.722 10 0 DJAERN COc1c(CO)cc(C2CC2)c(-c2ccc(F)cc2F)c1Cl ZINC000584612655 337372400 /nfs/dbraw/zinc/37/24/00/337372400.db2.gz VRJULUIFSXPKHC-UHFFFAOYSA-N 0 0 324.754 4.664 10 0 DJAERN C[C@H]1C[C@@H](Nc2ccc(Br)cc2N)CC(C)(C)C1 ZINC000584614357 337372617 /nfs/dbraw/zinc/37/26/17/337372617.db2.gz OTGYDPMREOLZOG-CMPLNLGQSA-N 0 0 311.267 4.658 10 0 DJAERN OC[C@H](CCOc1ccccc1)c1ccc(Cl)cc1Cl ZINC000584595093 337373997 /nfs/dbraw/zinc/37/39/97/337373997.db2.gz RBXSCXWLLPEGDD-LBPRGKRZSA-N 0 0 311.208 4.538 10 0 DJAERN CC(C)(O)[C@@H](Cc1ccccc1)c1cccc(Br)c1 ZINC000584597061 337374315 /nfs/dbraw/zinc/37/43/15/337374315.db2.gz WJXCVOXFFXIPSA-INIZCTEOSA-N 0 0 319.242 4.546 10 0 DJAERN Fc1ccc(Oc2nccc3ccnc(Cl)c32)cc1Cl ZINC000584624286 337375310 /nfs/dbraw/zinc/37/53/10/337375310.db2.gz SCUTXWVARYNPIG-UHFFFAOYSA-N 0 0 309.127 4.868 10 0 DJAERN O=C1Nc2cc(Cl)ccc2CC[C@H]1c1ccc(Cl)cc1 ZINC000584626651 337376029 /nfs/dbraw/zinc/37/60/29/337376029.db2.gz WXWOHGKMBXUVPE-AWEZNQCLSA-N 0 0 306.192 4.662 10 0 DJAERN C[C@@H]1C(c2c(Cl)cccc2Cl)=NO[C@@H]1OC(C)(C)C ZINC000584654237 337377754 /nfs/dbraw/zinc/37/77/54/337377754.db2.gz SPHFABZEQGXQBM-OQPBUACISA-N 0 0 302.201 4.505 10 0 DJAERN CCOC(=O)N(Cc1ccccc1)c1c(O)ccc2ccccc21 ZINC000584656744 337378093 /nfs/dbraw/zinc/37/80/93/337378093.db2.gz YWZOTORSEYGXQR-UHFFFAOYSA-N 0 0 321.376 4.709 10 0 DJAERN C[C@](O)(c1ccc(Cl)cc1)[C@H](c1ccccc1)c1ccncc1 ZINC000584636887 337379405 /nfs/dbraw/zinc/37/94/05/337379405.db2.gz IDZVPEGYANETJH-UXHICEINSA-N 0 0 323.823 4.775 10 0 DJAERN Clc1ccc([C@]2(c3ccncc3)CCCO2)c2ccccc12 ZINC000584651212 337380865 /nfs/dbraw/zinc/38/08/65/337380865.db2.gz BSDACGOFIHLARP-LJQANCHMSA-N 0 0 309.796 4.942 10 0 DJAERN CC[C@@H](NC(=O)CCc1ccccc1Cl)c1ccccc1 ZINC000036563183 337748669 /nfs/dbraw/zinc/74/86/69/337748669.db2.gz SHBKIOSPNVZZCZ-QGZVFWFLSA-N 0 0 301.817 4.540 10 0 DJAERN Cc1ccccc1NC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000056519857 337852383 /nfs/dbraw/zinc/85/23/83/337852383.db2.gz FOFRDYKUPNIFGM-NSHDSACASA-N 0 0 306.768 4.670 10 0 DJAERN C[C@@H](NC(=O)CCC(F)(F)F)c1ccc(C(C)(C)C)cc1 ZINC000173360182 340363230 /nfs/dbraw/zinc/36/32/30/340363230.db2.gz LWMKRWBSUZAJQY-LLVKDONJSA-N 0 0 301.352 4.504 10 0 DJAERN C[C@@H](CCC(C)(C)C)NC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176379120 340426969 /nfs/dbraw/zinc/42/69/69/340426969.db2.gz IPTZPTKMPBXJML-UONOGXRCSA-N 0 0 323.506 4.595 10 0 DJAERN O=C(c1ccc(Oc2ccccc2)o1)N1CCC[C@@H]1c1ccco1 ZINC000176406435 340427225 /nfs/dbraw/zinc/42/72/25/340427225.db2.gz YSFSVOZKBNQJJB-OAHLLOKOSA-N 0 0 323.348 4.642 10 0 DJAERN CCCC[C@@H](CC)CNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186099902 340508181 /nfs/dbraw/zinc/50/81/81/340508181.db2.gz LOHOIFLLWDSBOR-ZBFHGGJFSA-N 0 0 323.506 4.514 10 0 DJAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)CCC(C)(C)C)cs1 ZINC000186750577 340515662 /nfs/dbraw/zinc/51/56/62/340515662.db2.gz NKJKJEAYFGMNBW-DOMZBBRYSA-N 0 0 323.506 4.513 10 0 DJAERN Cc1cc(F)c(Br)cc1N[C@H](C)c1cncs1 ZINC000235212984 340657758 /nfs/dbraw/zinc/65/77/58/340657758.db2.gz QXRHKIFFFONHOH-MRVPVSSYSA-N 0 0 315.211 4.526 10 0 DJAERN Cc1noc(-c2ccccc2)c1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000131002904 341056045 /nfs/dbraw/zinc/05/60/45/341056045.db2.gz ZMDYDIMQCQZVMH-SJORKVTESA-N 0 0 324.424 4.805 10 0 DJAERN Cc1noc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000131003102 341056106 /nfs/dbraw/zinc/05/61/06/341056106.db2.gz ZMDYDIMQCQZVMH-DLBZAZTESA-N 0 0 324.424 4.805 10 0 DJAERN O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC[C@@H]1c1ccco1 ZINC000245955266 341319668 /nfs/dbraw/zinc/31/96/68/341319668.db2.gz WLEOHUFYWUZFDT-MWDXBVQZSA-N 0 0 301.430 4.550 10 0 DJAERN CC(C)(C)c1csc(CN2CCCC[C@H]2c2nccs2)n1 ZINC000119599587 519080746 /nfs/dbraw/zinc/08/07/46/519080746.db2.gz UYPJVLASSRSIPS-LBPRGKRZSA-N 0 0 321.515 4.624 10 0 DJAERN CC(C)(C)c1ncc(CN2CCCC[C@@H]2c2nccs2)s1 ZINC000127706992 519113146 /nfs/dbraw/zinc/11/31/46/519113146.db2.gz PQQPBRNDSNPPOD-CYBMUJFWSA-N 0 0 321.515 4.624 10 0 DJAERN CC[C@H](NC(=O)N[C@H](C)c1ccc(C)o1)c1ccc(Cl)cc1 ZINC000107708562 522473253 /nfs/dbraw/zinc/47/32/53/522473253.db2.gz CMMYOIDUINHPNN-DOMZBBRYSA-N 0 0 320.820 4.753 10 0 DJAERN CC[C@H](Sc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 ZINC000057326579 522924646 /nfs/dbraw/zinc/92/46/46/522924646.db2.gz VHXBAJCOOXPMNX-HNNXBMFYSA-N 0 0 308.410 4.683 10 0 DJAERN CCc1ccc([C@@H]2CCCCN2C(=O)CCc2ccsc2)o1 ZINC000128474233 524034822 /nfs/dbraw/zinc/03/48/22/524034822.db2.gz POVCVLQXFUURBL-INIZCTEOSA-N 0 0 317.454 4.590 10 0 DJAERN Cc1ccccc1-c1noc([C@@H](C)N[C@@H](C)c2ccccc2C)n1 ZINC000181545066 525021554 /nfs/dbraw/zinc/02/15/54/525021554.db2.gz FCMJHSFPMIFOPY-JKSUJKDBSA-N 0 0 321.424 4.765 10 0 DJAERN Cc1ccccc1[S@](=O)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000157088917 525453346 /nfs/dbraw/zinc/45/33/46/525453346.db2.gz IQOMPEIFKXUDNR-PEBXRYMYSA-N 0 0 311.406 4.519 10 0 DJAERN C[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1ncc(C(C)(C)C)o1 ZINC000177412084 525659710 /nfs/dbraw/zinc/65/97/10/525659710.db2.gz XAKDNEACFWPXPR-GHMZBOCLSA-N 0 0 308.372 4.662 10 0 DJAERN Clc1ccc(CNc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000057354143 526950258 /nfs/dbraw/zinc/95/02/58/526950258.db2.gz HNDFPEPGWUAJQR-UHFFFAOYSA-N 0 0 320.179 4.656 10 0 DJAERN O=C(Nc1cccc(Cl)c1)N1CCCC[C@H]1c1nccs1 ZINC000176250529 527340682 /nfs/dbraw/zinc/34/06/82/527340682.db2.gz XZDZODKCRDMHBO-ZDUSSCGKSA-N 0 0 321.833 4.556 10 0 DJAERN CC(C)c1cccc(C(C)C)c1N1C(=O)Cc2ccccc2C1=O ZINC000013777024 535375089 /nfs/dbraw/zinc/37/50/89/535375089.db2.gz AEDIHQHGAMNRLZ-UHFFFAOYSA-N 0 0 321.420 4.663 10 0 DJAERN CCCCCCc1cc(Br)sc1C(=O)OCC ZINC000675058022 563910305 /nfs/dbraw/zinc/91/03/05/563910305.db2.gz PQJLVBKOQHJGSA-UHFFFAOYSA-N 0 0 319.264 4.810 10 0 DJAERN O=C(CCc1ccc(F)cc1)Nc1c(Cl)cccc1Cl ZINC000048545854 563924023 /nfs/dbraw/zinc/92/40/23/563924023.db2.gz SQOXWHNNPYQACH-UHFFFAOYSA-N 0 0 312.171 4.704 10 0 DJAERN O=[P@@]1(Oc2cccc(Cl)c2)OCCCN1c1ccccc1 ZINC000003099507 563321706 /nfs/dbraw/zinc/32/17/06/563321706.db2.gz HTBXFIZFGUSEQT-OAQYLSRUSA-N 0 0 323.716 4.754 10 0 DJAERN Cc1ccc(O)c(-c2cc(C(F)(F)F)nn2-c2ccccc2)c1 ZINC000033413600 563445659 /nfs/dbraw/zinc/44/56/59/563445659.db2.gz PTFGHRVMAJOWDR-UHFFFAOYSA-N 0 0 318.298 4.572 10 0 DJAERN CCCC[C@@H](C)c1nc2cc(C)c(CC)c(Br)n2n1 ZINC000725248022 563526922 /nfs/dbraw/zinc/52/69/22/563526922.db2.gz HPZPSELQQYWFIN-SNVBAGLBSA-N 0 0 324.266 4.656 10 0 DJAERN CC(C)[C@@H]1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1 ZINC000725265574 563571586 /nfs/dbraw/zinc/57/15/86/563571586.db2.gz KJAAVISVXMDVOF-GFCCVEGCSA-N 0 0 319.246 4.600 10 0 DJAERN Cc1sc2nc(C)nc(Nc3ccc(C)c(F)c3)c2c1C ZINC000000215533 563578762 /nfs/dbraw/zinc/57/87/62/563578762.db2.gz HWPHEMNMZMQHHW-UHFFFAOYSA-N 0 0 301.390 4.808 10 0 DJAERN Cc1ccc([C@H]2SCCN2C(=O)/C=C/c2ccccc2)c(C)c1 ZINC000000328973 563588692 /nfs/dbraw/zinc/58/86/92/563588692.db2.gz JHPAVMWFFAKTPK-WAEYIKQSSA-N 0 0 323.461 4.591 10 0 DJAERN CC(C)(C)C1CCC(O)(c2cccc(Br)c2)CC1 ZINC000675059520 563910290 /nfs/dbraw/zinc/91/02/90/563910290.db2.gz RAUBSVNSLQQTAL-UHFFFAOYSA-N 0 0 311.263 4.873 10 0 DJAERN Cc1cc(-c2cc(N)c(C)c(C(F)(F)F)c2)cnc1Cl ZINC000675080728 563911322 /nfs/dbraw/zinc/91/13/22/563911322.db2.gz UQKSWKOFNPBQDY-UHFFFAOYSA-N 0 0 300.711 4.620 10 0 DJAERN O=C(Nc1c(Cl)cccc1Cl)c1sccc1Cl ZINC000048545582 563924022 /nfs/dbraw/zinc/92/40/22/563924022.db2.gz HCXRGDJWWADEBC-UHFFFAOYSA-N 0 0 306.601 4.961 10 0 DJAERN O=c1[nH]cc(-c2cc(Cl)ccc2Cl)cc1C(F)(F)F ZINC000616452563 563961637 /nfs/dbraw/zinc/96/16/37/563961637.db2.gz XYLJRONBGDSYDD-UHFFFAOYSA-N 0 0 308.086 4.780 10 0 DJAERN