smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(Cc1cc(Br)ccc1[O-])C(=O)c1c(C)nn(C)c1OC ZINC000120988641 551224306 /nfs/dbraw/zinc/22/43/06/551224306.db2.gz VEIXHXCLEYHPHP-UHFFFAOYSA-N -1 3 382.258 2.868 20 10 GFCDHM COc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737105021 598378656 /nfs/dbraw/zinc/37/86/56/598378656.db2.gz VJJCUNAHFVKFKP-UHFFFAOYSA-N -1 3 375.845 2.842 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)COc2ccccc2-c2nnn[n-]2)cc1F ZINC000736532436 598556637 /nfs/dbraw/zinc/55/66/37/598556637.db2.gz RQKUQCUOHUGHRI-UHFFFAOYSA-N -1 3 398.442 2.547 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)COc2ccccc2-c2nn[n-]n2)cc1F ZINC000736532436 598556639 /nfs/dbraw/zinc/55/66/39/598556639.db2.gz RQKUQCUOHUGHRI-UHFFFAOYSA-N -1 3 398.442 2.547 20 10 GFCDHM Cc1cc(C(=O)N2CCS[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233900 598755191 /nfs/dbraw/zinc/75/51/91/598755191.db2.gz MBCIWAZKPDFDNS-ZDUSSCGKSA-N -1 3 382.493 2.852 20 10 GFCDHM CC[C@@H](C)[C@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820859844 599379423 /nfs/dbraw/zinc/37/94/23/599379423.db2.gz GSTKXVDEDYRPSP-LRTDBIEQSA-N -1 3 396.495 2.801 20 10 GFCDHM CN(c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1)C1CCCCC1 ZINC000821619003 606263810 /nfs/dbraw/zinc/26/38/10/606263810.db2.gz FEHSRQFVRGXDLF-UHFFFAOYSA-N -1 3 379.468 2.894 20 10 GFCDHM CN(c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1)C1CCCCC1 ZINC000821619003 606263812 /nfs/dbraw/zinc/26/38/12/606263812.db2.gz FEHSRQFVRGXDLF-UHFFFAOYSA-N -1 3 379.468 2.894 20 10 GFCDHM COC(C)(C)CN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821672585 606987609 /nfs/dbraw/zinc/98/76/09/606987609.db2.gz PVEWNBIMULXDRU-UHFFFAOYSA-N -1 3 382.468 2.771 20 10 GFCDHM Cc1cc(C(=O)N2CCC(CCO)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257612 607996376 /nfs/dbraw/zinc/99/63/76/607996376.db2.gz IZTZJEJTVLCRFK-UHFFFAOYSA-N -1 3 394.479 2.509 20 10 GFCDHM O=[N+]([O-])c1ccc(N(Cc2ccccc2O)C[C@@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC000826498015 608076853 /nfs/dbraw/zinc/07/68/53/608076853.db2.gz DBVOZNXPOMFFCM-HNNXBMFYSA-N -1 3 396.407 2.666 20 10 GFCDHM O=[N+]([O-])c1ccc(N(Cc2ccccc2O)C[C@@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC000826498015 608076854 /nfs/dbraw/zinc/07/68/54/608076854.db2.gz DBVOZNXPOMFFCM-HNNXBMFYSA-N -1 3 396.407 2.666 20 10 GFCDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000824019679 609421711 /nfs/dbraw/zinc/42/17/11/609421711.db2.gz KQBJQLJEACMOBJ-UHFFFAOYSA-N -1 3 378.436 2.518 20 10 GFCDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000824019679 609421712 /nfs/dbraw/zinc/42/17/12/609421712.db2.gz KQBJQLJEACMOBJ-UHFFFAOYSA-N -1 3 378.436 2.518 20 10 GFCDHM [O-]c1c(Br)cccc1CNc1cc(N2CCC[C@@H](CO)C2)ncn1 ZINC000277285698 655311242 /nfs/dbraw/zinc/31/12/42/655311242.db2.gz ALUYPSJXDTYKCH-GFCCVEGCSA-N -1 3 393.285 2.766 20 10 GFCDHM O=C1NCCN(Cc2cc(Br)ccc2[O-])[C@H]1c1ccccc1F ZINC000753590327 655856321 /nfs/dbraw/zinc/85/63/21/655856321.db2.gz LSNATTLFFHKLNQ-INIZCTEOSA-N -1 3 379.229 2.967 20 10 GFCDHM CCCN(CCC)S(=O)(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000754154871 655864522 /nfs/dbraw/zinc/86/45/22/655864522.db2.gz SIEGSJVLXMIHBP-UHFFFAOYSA-N -1 3 389.949 2.530 20 10 GFCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3ccnc(C)n3)CC2)c1 ZINC000761227023 656003935 /nfs/dbraw/zinc/00/39/35/656003935.db2.gz WZUDCFZUXLKYMG-UHFFFAOYSA-N -1 3 377.286 2.884 20 10 GFCDHM COc1cccc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1O ZINC000779899266 656960019 /nfs/dbraw/zinc/96/00/19/656960019.db2.gz IPQYHZKALSDMAH-UHFFFAOYSA-N -1 3 386.813 2.749 20 10 GFCDHM O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(O)c1[O-] ZINC000790921309 658044369 /nfs/dbraw/zinc/04/43/69/658044369.db2.gz FUXYXPPDMLOYPO-CYBMUJFWSA-N -1 3 381.215 2.940 20 10 GFCDHM O=S(=O)([N-]CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc(F)cc1F ZINC000816599192 660162196 /nfs/dbraw/zinc/16/21/96/660162196.db2.gz FTNVGTVJOJOWPR-UHFFFAOYSA-N -1 3 394.802 2.531 20 10 GFCDHM O=[N+]([O-])c1cccnc1N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862390880 662284870 /nfs/dbraw/zinc/28/48/70/662284870.db2.gz HYLAVPRLPSBSSI-UHFFFAOYSA-N -1 3 393.241 2.780 20 10 GFCDHM COC(=O)[C@H](NCc1c([O-])cccc1Br)[C@@H]1CCC[C@H](OC)C1 ZINC000862401433 662285588 /nfs/dbraw/zinc/28/55/88/662285588.db2.gz DRVBIOAKJFQDSA-BFQNTYOBSA-N -1 3 386.286 2.991 20 10 GFCDHM [O-]c1c(F)cc(Br)cc1CNCc1nnc(C2CCOCC2)[nH]1 ZINC000883194493 663051203 /nfs/dbraw/zinc/05/12/03/663051203.db2.gz XFTDMOCNPIWMKX-UHFFFAOYSA-N -1 3 385.237 2.596 20 10 GFCDHM O=S(=O)(C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1)N1CCCCC1 ZINC000897273015 663597751 /nfs/dbraw/zinc/59/77/51/663597751.db2.gz HQHAWQYIWVANIK-UHFFFAOYSA-N -1 3 390.908 2.965 20 10 GFCDHM CCCN(Cc1ccccc1O)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000136980071 551390300 /nfs/dbraw/zinc/39/03/00/551390300.db2.gz VVEOVVRUDIDJJH-ZDUSSCGKSA-N -1 3 382.507 2.559 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)COc1c(C)nn(C)c1C ZINC000163031520 551615695 /nfs/dbraw/zinc/61/56/95/551615695.db2.gz MYEQSQWTFJQZBX-UHFFFAOYSA-N -1 3 396.285 2.933 20 10 GFCDHM Cc1cc(Br)cc(CN([C@H](C)CS(C)(=O)=O)C2CC2)c1[O-] ZINC000180244908 552218903 /nfs/dbraw/zinc/21/89/03/552218903.db2.gz KFIUZDWRROOQKK-LLVKDONJSA-N -1 3 376.316 2.861 20 10 GFCDHM COc1cc(Br)cc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1[O-] ZINC000180812332 552236715 /nfs/dbraw/zinc/23/67/15/552236715.db2.gz VVMIXAPDNSAMMI-QLFBSQMISA-N -1 3 386.286 2.932 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1[O-] ZINC000370712475 563253350 /nfs/dbraw/zinc/25/33/50/563253350.db2.gz VSHXYWITPCARJD-SJKOYZFVSA-N -1 3 386.286 2.933 20 10 GFCDHM CCCC(=O)N1CCCN(Cc2cc(Br)cc(OC)c2[O-])CC1 ZINC000371404811 563277025 /nfs/dbraw/zinc/27/70/25/563277025.db2.gz VHYGHVZMOGPXJN-UHFFFAOYSA-N -1 3 385.302 2.998 20 10 GFCDHM Cc1cc(C(=O)NC2CCN(Cc3cc(Br)ccc3[O-])CC2)no1 ZINC000371411130 563277076 /nfs/dbraw/zinc/27/70/76/563277076.db2.gz LTCUNJYTPITEAF-UHFFFAOYSA-N -1 3 394.269 2.846 20 10 GFCDHM COc1cc(Br)cc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1[O-] ZINC000375690041 563414842 /nfs/dbraw/zinc/41/48/42/563414842.db2.gz GEXDQCCDCMMQKX-MRXNPFEDSA-N -1 3 396.285 2.832 20 10 GFCDHM COC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000292789982 563796063 /nfs/dbraw/zinc/79/60/63/563796063.db2.gz MFFAUKSQLVQCBG-WBVHZDCISA-N -1 3 398.297 2.945 20 10 GFCDHM S=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccccc1-c1nnn[n-]1 ZINC000738401717 598912354 /nfs/dbraw/zinc/91/23/54/598912354.db2.gz SAYGFRQYBWOMNU-UHFFFAOYSA-N -1 3 377.477 2.730 20 10 GFCDHM S=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccccc1-c1nn[n-]n1 ZINC000738401717 598912355 /nfs/dbraw/zinc/91/23/55/598912355.db2.gz SAYGFRQYBWOMNU-UHFFFAOYSA-N -1 3 377.477 2.730 20 10 GFCDHM Cc1cc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c(C)n1-c1ccccn1 ZINC000822176017 599162007 /nfs/dbraw/zinc/16/20/07/599162007.db2.gz DRTLZNUMAUAFRD-UHFFFAOYSA-N -1 3 391.410 2.738 20 10 GFCDHM Cc1cc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(C)n1-c1ccccn1 ZINC000822176017 599162010 /nfs/dbraw/zinc/16/20/10/599162010.db2.gz DRTLZNUMAUAFRD-UHFFFAOYSA-N -1 3 391.410 2.738 20 10 GFCDHM Cc1cc(C(=O)NCCC(F)(F)F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176442 599216163 /nfs/dbraw/zinc/21/61/63/599216163.db2.gz KEPNTZOUIZZPNR-UHFFFAOYSA-N -1 3 378.358 2.956 20 10 GFCDHM Cc1cc(C(=O)NCCCC(C)(C)CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176294 607324400 /nfs/dbraw/zinc/32/44/00/607324400.db2.gz IARAWVMPOMHFBG-UHFFFAOYSA-N -1 3 396.495 2.803 20 10 GFCDHM COc1ccc(N2CCC(Nc3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)cc1 ZINC000737100485 598353051 /nfs/dbraw/zinc/35/30/51/598353051.db2.gz XVWMHSFXTSQRGW-UHFFFAOYSA-N -1 3 391.479 2.840 20 10 GFCDHM COc1ccc(N2CCC(Nc3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)cc1 ZINC000737100485 598353053 /nfs/dbraw/zinc/35/30/53/598353053.db2.gz XVWMHSFXTSQRGW-UHFFFAOYSA-N -1 3 391.479 2.840 20 10 GFCDHM COc1ccc(N2CCC(Nc3nc(C)cc(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000737100315 598353058 /nfs/dbraw/zinc/35/30/58/598353058.db2.gz WOLMWEIFJSKTKS-UHFFFAOYSA-N -1 3 379.468 2.968 20 10 GFCDHM COc1ccc(N2CCC(Nc3nc(C)cc(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000737100315 598353060 /nfs/dbraw/zinc/35/30/60/598353060.db2.gz WOLMWEIFJSKTKS-UHFFFAOYSA-N -1 3 379.468 2.968 20 10 GFCDHM CCCN(Cc1ccccc1O)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736478734 598423234 /nfs/dbraw/zinc/42/32/34/598423234.db2.gz CZYQAJHYDOBRPT-CQSZACIVSA-N -1 3 381.436 2.778 20 10 GFCDHM CCCN(Cc1ccccc1O)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736478734 598423236 /nfs/dbraw/zinc/42/32/36/598423236.db2.gz CZYQAJHYDOBRPT-CQSZACIVSA-N -1 3 381.436 2.778 20 10 GFCDHM Cc1cc(C(=O)N(C)CC(F)(F)F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227413 598611960 /nfs/dbraw/zinc/61/19/60/598611960.db2.gz KVQAYFZANOCPEH-UHFFFAOYSA-N -1 3 378.358 2.909 20 10 GFCDHM Cc1cc(CNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)on1 ZINC000737263217 598612009 /nfs/dbraw/zinc/61/20/09/598612009.db2.gz FORWAMBBCZXDND-UHFFFAOYSA-N -1 3 377.408 2.501 20 10 GFCDHM Cc1cc(C(=O)NCc2c(C)noc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737538564 598612220 /nfs/dbraw/zinc/61/22/20/598612220.db2.gz VJKBEFUXTOEBKD-UHFFFAOYSA-N -1 3 391.435 2.809 20 10 GFCDHM Cc1cnc(CNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)o1 ZINC000822394972 606290568 /nfs/dbraw/zinc/29/05/68/606290568.db2.gz MWBRSQGBFAHWKO-UHFFFAOYSA-N -1 3 377.408 2.501 20 10 GFCDHM COc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)c1O ZINC000826215947 608377727 /nfs/dbraw/zinc/37/77/27/608377727.db2.gz DGDSNIZYDMMWCE-UHFFFAOYSA-N -1 3 376.420 2.780 20 10 GFCDHM COc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)c1O ZINC000826215947 608377728 /nfs/dbraw/zinc/37/77/28/608377728.db2.gz DGDSNIZYDMMWCE-UHFFFAOYSA-N -1 3 376.420 2.780 20 10 GFCDHM Cc1cc(C(=O)N[C@H]2CCO[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259641 608829370 /nfs/dbraw/zinc/82/93/70/608829370.db2.gz YVUXLNAVXWYDDH-BBRMVZONSA-N -1 3 380.452 2.572 20 10 GFCDHM O=C(c1cccc(O)c1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000092937560 655016254 /nfs/dbraw/zinc/01/62/54/655016254.db2.gz HKWYYTIQYVYZRW-UHFFFAOYSA-N -1 3 391.265 2.818 20 10 GFCDHM CN(Cc1cccc(Br)c1[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245760024 655428583 /nfs/dbraw/zinc/42/85/83/655428583.db2.gz PNVDNEZOXGOKCO-UONOGXRCSA-N -1 3 376.316 2.942 20 10 GFCDHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000736063630 655658030 /nfs/dbraw/zinc/65/80/30/655658030.db2.gz MNWZVFMYRSBGJQ-UHFFFAOYSA-N -1 3 382.507 2.984 20 10 GFCDHM N[C@@H]1CN(Cc2cc(Br)cc(Br)c2[O-])CC[C@H]1F ZINC000853247766 661886128 /nfs/dbraw/zinc/88/61/28/661886128.db2.gz ABTRWINEWDCBLV-GHMZBOCLSA-N -1 3 382.071 2.788 20 10 GFCDHM O=S1(=O)Cc2ccccc2[C@@H](NCc2c([O-])cccc2Br)C1 ZINC000862424867 662287034 /nfs/dbraw/zinc/28/70/34/662287034.db2.gz IHISOAYSWUXXLX-HNNXBMFYSA-N -1 3 382.279 2.914 20 10 GFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC000884968201 663080616 /nfs/dbraw/zinc/08/06/16/663080616.db2.gz LJPJGWOJYQOBAP-GOSISDBHSA-N -1 3 392.249 2.984 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@@H]1CCOC[C@H]1OC ZINC000294779822 563216972 /nfs/dbraw/zinc/21/69/72/563216972.db2.gz ADQSSHVIEZNSON-BLLLJJGKSA-N -1 3 386.286 2.945 20 10 GFCDHM Cc1cc(Cl)cc(CN(CC(F)F)C2CCN(S(C)(=O)=O)CC2)c1[O-] ZINC000282975761 563431777 /nfs/dbraw/zinc/43/17/77/563431777.db2.gz IWMUWIXQYQKYTH-UHFFFAOYSA-N -1 3 396.887 2.845 20 10 GFCDHM CCn1cnnc1[C@H]1CN([C@@H](C)c2ccc(Br)cc2[O-])CCO1 ZINC000365122430 563774829 /nfs/dbraw/zinc/77/48/29/563774829.db2.gz LMCHURZJSZXDJY-XHDPSFHLSA-N -1 3 381.274 2.901 20 10 GFCDHM COc1ccc(O)c(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000737105047 598923321 /nfs/dbraw/zinc/92/33/21/598923321.db2.gz CRSNKOTWIBBHSV-UHFFFAOYSA-N -1 3 398.423 2.690 20 10 GFCDHM COc1ccc(O)c(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000737105047 598923323 /nfs/dbraw/zinc/92/33/23/598923323.db2.gz CRSNKOTWIBBHSV-UHFFFAOYSA-N -1 3 398.423 2.690 20 10 GFCDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000736818730 599014539 /nfs/dbraw/zinc/01/45/39/599014539.db2.gz WYPKOQHAUYIOBK-UHFFFAOYSA-N -1 3 389.463 2.585 20 10 GFCDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000736818730 599014541 /nfs/dbraw/zinc/01/45/41/599014541.db2.gz WYPKOQHAUYIOBK-UHFFFAOYSA-N -1 3 389.463 2.585 20 10 GFCDHM Cc1cc(C(=O)NC[C@H](O)CC(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235347 599240013 /nfs/dbraw/zinc/24/00/13/599240013.db2.gz SSGJCHQRWRHTGI-QGZVFWFLSA-N -1 3 396.495 2.801 20 10 GFCDHM CCC1(O)CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CC1 ZINC000736396535 599251138 /nfs/dbraw/zinc/25/11/38/599251138.db2.gz NHSSGCYWAWOILA-UHFFFAOYSA-N -1 3 394.479 2.651 20 10 GFCDHM COc1ccc(N(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1F ZINC000737099598 598259239 /nfs/dbraw/zinc/25/92/39/598259239.db2.gz NLOVMIJADXKTGP-UHFFFAOYSA-N -1 3 384.415 2.868 20 10 GFCDHM COc1ccc(N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1F ZINC000737099598 598259241 /nfs/dbraw/zinc/25/92/41/598259241.db2.gz NLOVMIJADXKTGP-UHFFFAOYSA-N -1 3 384.415 2.868 20 10 GFCDHM CN(c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1)C1CCCCC1 ZINC000736842405 598462386 /nfs/dbraw/zinc/46/23/86/598462386.db2.gz QVXGGPFBPQCNFJ-UHFFFAOYSA-N -1 3 391.479 2.961 20 10 GFCDHM CN(c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1)C1CCCCC1 ZINC000736842405 598462388 /nfs/dbraw/zinc/46/23/88/598462388.db2.gz QVXGGPFBPQCNFJ-UHFFFAOYSA-N -1 3 391.479 2.961 20 10 GFCDHM Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233305 598610705 /nfs/dbraw/zinc/61/07/05/598610705.db2.gz ISWPTPDTJQXGSE-ACJLOTCBSA-N -1 3 380.452 2.572 20 10 GFCDHM Cc1cc(C(=O)NCC(C)(C)C[C@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168044 599426429 /nfs/dbraw/zinc/42/64/29/599426429.db2.gz LGPSUPWTTDPKJP-AWEZNQCLSA-N -1 3 396.495 2.801 20 10 GFCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000826246570 607672097 /nfs/dbraw/zinc/67/20/97/607672097.db2.gz GWPCVWCWCFCIIQ-HNNXBMFYSA-N -1 3 392.463 2.503 20 10 GFCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000826246570 607672099 /nfs/dbraw/zinc/67/20/99/607672099.db2.gz GWPCVWCWCFCIIQ-HNNXBMFYSA-N -1 3 392.463 2.503 20 10 GFCDHM COc1ccc(N2CCN(c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)cc1F ZINC000821831521 606634047 /nfs/dbraw/zinc/63/40/47/606634047.db2.gz CBHSPCDWWCHHMU-UHFFFAOYSA-N -1 3 390.369 2.619 20 10 GFCDHM COc1ccc(N2CCN(c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)cc1F ZINC000821831521 606634048 /nfs/dbraw/zinc/63/40/48/606634048.db2.gz CBHSPCDWWCHHMU-UHFFFAOYSA-N -1 3 390.369 2.619 20 10 GFCDHM O=C(NCCCSc1nccs1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823197854 606684525 /nfs/dbraw/zinc/68/45/25/606684525.db2.gz VWPRQBPAGRRLPU-UHFFFAOYSA-N -1 3 382.421 2.514 20 10 GFCDHM O=C(NCCCSc1nccs1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823197854 606684526 /nfs/dbraw/zinc/68/45/26/606684526.db2.gz VWPRQBPAGRRLPU-UHFFFAOYSA-N -1 3 382.421 2.514 20 10 GFCDHM O[C@H](CN1CCCc2cc(OC(F)F)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682546 606922026 /nfs/dbraw/zinc/92/20/26/606922026.db2.gz RFDKGWLTIBGHFZ-QGZVFWFLSA-N -1 3 387.390 2.954 20 10 GFCDHM O[C@H](CN1CCCc2cc(OC(F)F)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682546 606922028 /nfs/dbraw/zinc/92/20/28/606922028.db2.gz RFDKGWLTIBGHFZ-QGZVFWFLSA-N -1 3 387.390 2.954 20 10 GFCDHM C[C@@H](NC(=O)NCCCSc1nccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820367401 606953359 /nfs/dbraw/zinc/95/33/59/606953359.db2.gz RQDDWVBICXKXFM-LLVKDONJSA-N -1 3 389.510 2.866 20 10 GFCDHM C[C@@H](NC(=O)NCCCSc1nccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820367401 606953360 /nfs/dbraw/zinc/95/33/60/606953360.db2.gz RQDDWVBICXKXFM-LLVKDONJSA-N -1 3 389.510 2.866 20 10 GFCDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N(C)C)c(F)c1 ZINC000826162415 608135515 /nfs/dbraw/zinc/13/55/15/608135515.db2.gz BAVRWWHTTMLIBO-UHFFFAOYSA-N -1 3 386.431 2.709 20 10 GFCDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N(C)C)c(F)c1 ZINC000826162415 608135516 /nfs/dbraw/zinc/13/55/16/608135516.db2.gz BAVRWWHTTMLIBO-UHFFFAOYSA-N -1 3 386.431 2.709 20 10 GFCDHM COc1cc(O)c(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1OC ZINC000826181384 608546599 /nfs/dbraw/zinc/54/65/99/608546599.db2.gz XGENHTIBRLDSDW-UHFFFAOYSA-N -1 3 375.816 2.879 20 10 GFCDHM COc1cc(O)c(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1OC ZINC000826181384 608546600 /nfs/dbraw/zinc/54/66/00/608546600.db2.gz XGENHTIBRLDSDW-UHFFFAOYSA-N -1 3 375.816 2.879 20 10 GFCDHM Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258224 609173971 /nfs/dbraw/zinc/17/39/71/609173971.db2.gz DTJGEHANVSVWQL-YOEHRIQHSA-N -1 3 394.479 2.819 20 10 GFCDHM CCOc1ccc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)nn1 ZINC000827798825 660516435 /nfs/dbraw/zinc/51/64/35/660516435.db2.gz JREZGCCJDQNBPR-UHFFFAOYSA-N -1 3 393.285 2.666 20 10 GFCDHM Cc1nc([C@@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cs1 ZINC000275158926 655220397 /nfs/dbraw/zinc/22/03/97/655220397.db2.gz XEIKKIZYPBJVES-AWEZNQCLSA-N -1 3 381.479 2.506 20 10 GFCDHM Cn1cc(CNCc2c([O-])cccc2Br)c(Br)n1 ZINC000720655909 655524631 /nfs/dbraw/zinc/52/46/31/655524631.db2.gz HIFOLHMKTAJQNS-UHFFFAOYSA-N -1 3 375.064 2.941 20 10 GFCDHM CCCN(CCC)S(=O)(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000754154455 655864531 /nfs/dbraw/zinc/86/45/31/655864531.db2.gz OVTALXHJQODWTH-UHFFFAOYSA-N -1 3 389.949 2.530 20 10 GFCDHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]Cc1ccccc1O ZINC000779896096 656959344 /nfs/dbraw/zinc/95/93/44/656959344.db2.gz QYMAMCGYTXFBBP-UHFFFAOYSA-N -1 3 390.230 2.781 20 10 GFCDHM COc1cc(C(=O)NCc2cc(Br)ccc2O)cc(OC)c1[O-] ZINC000804735618 659675436 /nfs/dbraw/zinc/67/54/36/659675436.db2.gz FXWKYEAFZNCAGA-UHFFFAOYSA-N -1 3 382.210 2.808 20 10 GFCDHM C[C@@H]1CN(CCCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C[C@@H](C)O1 ZINC000804901493 659692548 /nfs/dbraw/zinc/69/25/48/659692548.db2.gz HKKZACYZXVMIEQ-VXGBXAGGSA-N -1 3 390.311 2.998 20 10 GFCDHM O=S(=O)(CCCCF)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000805010828 659714110 /nfs/dbraw/zinc/71/41/10/659714110.db2.gz MZOSJEVRMLAQLS-HNNXBMFYSA-N -1 3 378.897 2.679 20 10 GFCDHM CN(C)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cc1 ZINC000809806015 659939961 /nfs/dbraw/zinc/93/99/61/659939961.db2.gz APHSAESAWIOGKT-UHFFFAOYSA-N -1 3 387.820 2.932 20 10 GFCDHM COc1ccnc(N2CCN(Cc3c([O-])cccc3Br)CC2)c1 ZINC000862238905 662275935 /nfs/dbraw/zinc/27/59/35/662275935.db2.gz OIJRWYHYXPUGLH-UHFFFAOYSA-N -1 3 378.270 2.881 20 10 GFCDHM C[S@@](=O)(=NS(=O)(=O)[N-]CCCSc1nccs1)c1ccccc1 ZINC000866782731 662498124 /nfs/dbraw/zinc/49/81/24/662498124.db2.gz XWZJAIZYUIZUFB-QFIPXVFZSA-N -1 3 391.565 2.617 20 10 GFCDHM CCN(Cc1cn(C[C@H]2CCCO2)nn1)Cc1cc(Br)ccc1[O-] ZINC000876793404 662866524 /nfs/dbraw/zinc/86/65/24/662866524.db2.gz CZLOFVWKJUNKPI-MRXNPFEDSA-N -1 3 395.301 2.947 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000122262628 551296799 /nfs/dbraw/zinc/29/67/99/551296799.db2.gz RWRZFYXHMMCKAI-AWEZNQCLSA-N -1 3 393.285 2.967 20 10 GFCDHM Cc1cc(N2CC[C@@H](N[C@@H](C)c3ccc(Br)cc3[O-])C2=O)n(C)n1 ZINC000186083602 552378588 /nfs/dbraw/zinc/37/85/88/552378588.db2.gz XGZVLGLIWKIQDN-SMDDNHRTSA-N -1 3 393.285 2.653 20 10 GFCDHM Cc1cc(Br)cc(CN2CCC(C)(C)S(=O)(=O)CC2)c1[O-] ZINC000195202958 553040936 /nfs/dbraw/zinc/04/09/36/553040936.db2.gz AKQACZGLZGYSRR-UHFFFAOYSA-N -1 3 376.316 2.862 20 10 GFCDHM COc1cc(Br)cc(CN[C@]2(CO)CCOc3ccccc32)c1[O-] ZINC000366901648 563823449 /nfs/dbraw/zinc/82/34/49/563823449.db2.gz VAORJXHHDJXHGA-SFHVURJKSA-N -1 3 394.265 2.923 20 10 GFCDHM Cc1cc(C(=O)N(C)Cc2ccncc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227403 598610229 /nfs/dbraw/zinc/61/02/29/598610229.db2.gz KGMTVVJNPDKIID-UHFFFAOYSA-N -1 3 387.447 2.941 20 10 GFCDHM Cc1cc(C(=O)N2C[C@@H](C)OC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233965 598610452 /nfs/dbraw/zinc/61/04/52/598610452.db2.gz IYOOLGCFUVYDCZ-ZIAGYGMSSA-N -1 3 380.452 2.524 20 10 GFCDHM OCC1CCN(c2ccc(CNc3ccc(F)cc3-c3nnn[n-]3)cc2)CC1 ZINC000738393877 598635489 /nfs/dbraw/zinc/63/54/89/598635489.db2.gz NNQPQTPEFNPCQB-UHFFFAOYSA-N -1 3 382.443 2.827 20 10 GFCDHM OCC1CCN(c2ccc(CNc3ccc(F)cc3-c3nn[n-]n3)cc2)CC1 ZINC000738393877 598635491 /nfs/dbraw/zinc/63/54/91/598635491.db2.gz NNQPQTPEFNPCQB-UHFFFAOYSA-N -1 3 382.443 2.827 20 10 GFCDHM O=C(NCc1ccccc1O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738123530 598720627 /nfs/dbraw/zinc/72/06/27/598720627.db2.gz FURLTWKSSMZWND-UHFFFAOYSA-N -1 3 388.387 2.690 20 10 GFCDHM O=C(NCc1ccccc1O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738123530 598720629 /nfs/dbraw/zinc/72/06/29/598720629.db2.gz FURLTWKSSMZWND-UHFFFAOYSA-N -1 3 388.387 2.690 20 10 GFCDHM Cc1cc(C(=O)N2CCC([C@H](C)O)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235478 599389358 /nfs/dbraw/zinc/38/93/58/599389358.db2.gz ZPTVPPDHDJXKLM-HNNXBMFYSA-N -1 3 394.479 2.507 20 10 GFCDHM CCCOC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821127553 599660144 /nfs/dbraw/zinc/66/01/44/599660144.db2.gz IQCJMJIQSDMZOU-CQSZACIVSA-N -1 3 397.435 2.773 20 10 GFCDHM Cc1cnc(COC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)o1 ZINC000822395267 599660364 /nfs/dbraw/zinc/66/03/64/599660364.db2.gz ZFBZARIAIYGUHF-UHFFFAOYSA-N -1 3 378.392 2.928 20 10 GFCDHM C[C@H](NC(=O)NCCCSc1nccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820367402 606953172 /nfs/dbraw/zinc/95/31/72/606953172.db2.gz RQDDWVBICXKXFM-NSHDSACASA-N -1 3 389.510 2.866 20 10 GFCDHM C[C@H](NC(=O)NCCCSc1nccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820367402 606953174 /nfs/dbraw/zinc/95/31/74/606953174.db2.gz RQDDWVBICXKXFM-NSHDSACASA-N -1 3 389.510 2.866 20 10 GFCDHM Cc1cc(C(=O)N[C@@H](C)C[C@@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167741 607135028 /nfs/dbraw/zinc/13/50/28/607135028.db2.gz HHZOZWNKVAXESK-BBRMVZONSA-N -1 3 394.479 2.819 20 10 GFCDHM CCCCN(CCO)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825284900 607932444 /nfs/dbraw/zinc/93/24/44/607932444.db2.gz BZOCNXPRYLNBSX-UHFFFAOYSA-N -1 3 382.468 2.509 20 10 GFCDHM Cc1cc(C(=O)NCC[C@H]2CCCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259276 609180198 /nfs/dbraw/zinc/18/01/98/609180198.db2.gz NFPMSBHJYOCZDD-GOSISDBHSA-N -1 3 394.479 2.963 20 10 GFCDHM COc1ccc(N2CC[C@@H](C[N-]S(=O)(=O)c3cccnc3Cl)C2)cc1 ZINC000819890722 660272386 /nfs/dbraw/zinc/27/23/86/660272386.db2.gz UOYCZTSCQZNCGP-ZDUSSCGKSA-N -1 3 381.885 2.548 20 10 GFCDHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000276133823 655263930 /nfs/dbraw/zinc/26/39/30/655263930.db2.gz AAYCYIQLBFMXAR-LBPRGKRZSA-N -1 3 380.388 2.567 20 10 GFCDHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1ccc(Br)cn1 ZINC000735927232 655655344 /nfs/dbraw/zinc/65/53/44/655655344.db2.gz XELVYANMDIBNJJ-UHFFFAOYSA-N -1 3 396.310 2.923 20 10 GFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c1[O-] ZINC000750040053 655810823 /nfs/dbraw/zinc/81/08/23/655810823.db2.gz REPIHYSGXYMIEM-OAHLLOKOSA-N -1 3 388.917 2.542 20 10 GFCDHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)c(C)c(C)c1O ZINC000775291933 656623717 /nfs/dbraw/zinc/62/37/17/656623717.db2.gz RXLPRTHNMSGGAB-UHFFFAOYSA-N -1 3 387.454 2.661 20 10 GFCDHM COC(=O)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cc1 ZINC000776641264 656774032 /nfs/dbraw/zinc/77/40/32/656774032.db2.gz VSCNSEQJLIFFKL-CYBMUJFWSA-N -1 3 380.194 2.504 20 10 GFCDHM CCCN(Cc1cc(C)cc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000781893958 657086929 /nfs/dbraw/zinc/08/69/29/657086929.db2.gz AOXYSFGMWMKCKP-CYBMUJFWSA-N -1 3 376.316 2.862 20 10 GFCDHM COC(=O)CN(Cc1cc(C(F)(F)F)n[nH]1)Cc1cc(Cl)ccc1[O-] ZINC000799732708 659216966 /nfs/dbraw/zinc/21/69/66/659216966.db2.gz KDFCLYLRXWRPEK-UHFFFAOYSA-N -1 3 377.750 2.963 20 10 GFCDHM COC(=O)[C@H](NCc1cc(Br)ccc1[O-])[C@H]1CCC[C@H](OC)C1 ZINC000846108079 661532951 /nfs/dbraw/zinc/53/29/51/661532951.db2.gz MXSOMKWYEMJHFL-HZUKXOBISA-N -1 3 386.286 2.991 20 10 GFCDHM O=S1(=O)Cc2ccccc2[C@@H](NCc2ccc(Br)cc2[O-])C1 ZINC000857058380 662061918 /nfs/dbraw/zinc/06/19/18/662061918.db2.gz NQBZWKBHIKEUCZ-HNNXBMFYSA-N -1 3 382.279 2.914 20 10 GFCDHM O=S1(=O)CCN(Cc2c([O-])cccc2Br)Cc2ccccc21 ZINC000862332145 662280913 /nfs/dbraw/zinc/28/09/13/662280913.db2.gz RVHZLXMWLLHCDI-UHFFFAOYSA-N -1 3 382.279 2.944 20 10 GFCDHM CCn1cc([C@H]2C[S@](=O)CCN2Cc2c([O-])cccc2Br)cn1 ZINC000862344947 662281660 /nfs/dbraw/zinc/28/16/60/662281660.db2.gz PUCKVNXJLSYDSG-IQMFZBJNSA-N -1 3 398.326 2.677 20 10 GFCDHM C[C@H](NCc1nc2c(c(=O)[nH]1)COCC2)c1cc(Br)cc(F)c1[O-] ZINC000866629617 662484974 /nfs/dbraw/zinc/48/49/74/662484974.db2.gz PPYTYPNVAKCGIR-QMMMGPOBSA-N -1 3 398.232 2.713 20 10 GFCDHM C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Br)cc1[O-] ZINC000186022043 552376780 /nfs/dbraw/zinc/37/67/80/552376780.db2.gz BYRVWURURZRTRW-LDYMZIIASA-N -1 3 381.192 2.969 20 10 GFCDHM Cc1cc(N2CC[C@H](N[C@@H](C)c3ccc(Br)cc3[O-])C2=O)n(C)n1 ZINC000186083585 552378687 /nfs/dbraw/zinc/37/86/87/552378687.db2.gz XGZVLGLIWKIQDN-FZMZJTMJSA-N -1 3 393.285 2.653 20 10 GFCDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](C)Cc1ccsc1 ZINC000187363878 552413872 /nfs/dbraw/zinc/41/38/72/552413872.db2.gz HIHMIMNIWAAJLV-LBPRGKRZSA-N -1 3 382.507 2.919 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Cn1ccc(C)cc1=O ZINC000194843872 553031534 /nfs/dbraw/zinc/03/15/34/553031534.db2.gz BKJSOTHPRXGXIH-UHFFFAOYSA-N -1 3 379.254 2.674 20 10 GFCDHM O=S(=O)(C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1)N1CCCC1 ZINC000370318154 563240483 /nfs/dbraw/zinc/24/04/83/563240483.db2.gz XDIVUSWYQXZWCV-UHFFFAOYSA-N -1 3 376.881 2.575 20 10 GFCDHM O=C(CNCc1cc(Br)ccc1[O-])N[C@H]1CCOc2ccccc21 ZINC000374327568 563368234 /nfs/dbraw/zinc/36/82/34/563368234.db2.gz REPMWWHIHCPOSC-HNNXBMFYSA-N -1 3 391.265 2.884 20 10 GFCDHM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821002034 599157502 /nfs/dbraw/zinc/15/75/02/599157502.db2.gz UOLZNQJOHWRWTO-WMLDXEAASA-N -1 3 394.479 2.914 20 10 GFCDHM Cc1cc(C(=O)NCCOC2CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176063 599198135 /nfs/dbraw/zinc/19/81/35/599198135.db2.gz FTUPUSVYPRTGAT-UHFFFAOYSA-N -1 3 380.452 2.573 20 10 GFCDHM Cc1c(NC(=O)NCCCSc2nccs2)cccc1-c1nnn[n-]1 ZINC000822096647 607293737 /nfs/dbraw/zinc/29/37/37/607293737.db2.gz OYDWZXNRBPNNKR-UHFFFAOYSA-N -1 3 375.483 2.936 20 10 GFCDHM Cc1c(NC(=O)NCCCSc2nccs2)cccc1-c1nn[n-]n1 ZINC000822096647 607293738 /nfs/dbraw/zinc/29/37/38/607293738.db2.gz OYDWZXNRBPNNKR-UHFFFAOYSA-N -1 3 375.483 2.936 20 10 GFCDHM Cc1cc(C(=O)N2C[C@H](C)OC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233958 598610427 /nfs/dbraw/zinc/61/04/27/598610427.db2.gz IYOOLGCFUVYDCZ-KGLIPLIRSA-N -1 3 380.452 2.524 20 10 GFCDHM Cc1cc(C(=O)N[C@H](C)[C@H]2CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233313 598610456 /nfs/dbraw/zinc/61/04/56/598610456.db2.gz ISWPTPDTJQXGSE-FZKQIMNGSA-N -1 3 380.452 2.572 20 10 GFCDHM Cc1cc(C(=O)Nc2nnc(C)s2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737522524 598611211 /nfs/dbraw/zinc/61/12/11/598611211.db2.gz VJYNHHRFCILXJG-UHFFFAOYSA-N -1 3 380.437 2.686 20 10 GFCDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736819431 598636951 /nfs/dbraw/zinc/63/69/51/598636951.db2.gz LRONQNOHLCRCFJ-UHFFFAOYSA-N -1 3 384.871 2.993 20 10 GFCDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736819431 598636952 /nfs/dbraw/zinc/63/69/52/598636952.db2.gz LRONQNOHLCRCFJ-UHFFFAOYSA-N -1 3 384.871 2.993 20 10 GFCDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000736637978 598782033 /nfs/dbraw/zinc/78/20/33/598782033.db2.gz WBPMJIMQZMXJEC-LLVKDONJSA-N -1 3 398.423 2.862 20 10 GFCDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000736637978 598782035 /nfs/dbraw/zinc/78/20/35/598782035.db2.gz WBPMJIMQZMXJEC-LLVKDONJSA-N -1 3 398.423 2.862 20 10 GFCDHM Cc1cc(C(=O)N2CCOC(C)(C)[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168473 606934790 /nfs/dbraw/zinc/93/47/90/606934790.db2.gz NOSJHLCPWJMEOM-HNNXBMFYSA-N -1 3 394.479 2.914 20 10 GFCDHM CC(C)(C)c1cnc(SCc2cc(=O)n3ncc(-c4nnn[n-]4)c3[nH]2)s1 ZINC000819965330 607120213 /nfs/dbraw/zinc/12/02/13/607120213.db2.gz BSDGHPSXXQEDLM-UHFFFAOYSA-N -1 3 388.482 2.661 20 10 GFCDHM Cc1cc(C(=O)N[C@]2(C)CCCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258856 608279168 /nfs/dbraw/zinc/27/91/68/608279168.db2.gz ZCSUKFIVHOUPFS-HXUWFJFHSA-N -1 3 380.452 2.573 20 10 GFCDHM Cc1cc(C(=O)N[C@@]2(C)CCCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258855 608279187 /nfs/dbraw/zinc/27/91/87/608279187.db2.gz ZCSUKFIVHOUPFS-FQEVSTJZSA-N -1 3 380.452 2.573 20 10 GFCDHM CC[C@@](C)(CCO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825044943 609396324 /nfs/dbraw/zinc/39/63/24/609396324.db2.gz WHOKNIJTGGUZSO-FQEVSTJZSA-N -1 3 382.468 2.555 20 10 GFCDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000824019748 609421412 /nfs/dbraw/zinc/42/14/12/609421412.db2.gz NAERCMWRSSKIBT-UHFFFAOYSA-N -1 3 396.426 2.657 20 10 GFCDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000824019748 609421415 /nfs/dbraw/zinc/42/14/15/609421415.db2.gz NAERCMWRSSKIBT-UHFFFAOYSA-N -1 3 396.426 2.657 20 10 GFCDHM Cn1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc1Cl ZINC000827095717 660478713 /nfs/dbraw/zinc/47/87/13/660478713.db2.gz LGLHZNAHLKOLFA-CYBMUJFWSA-N -1 3 383.279 2.827 20 10 GFCDHM O=S(=O)([N-][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cscn1 ZINC000827222799 660485099 /nfs/dbraw/zinc/48/50/99/660485099.db2.gz SBJWHMAMODQGIK-NSHDSACASA-N -1 3 389.449 2.692 20 10 GFCDHM COc1cccc(CNC(=O)NCc2ccc([O-])c(Br)c2)c1O ZINC000126250843 654811383 /nfs/dbraw/zinc/81/13/83/654811383.db2.gz QZDYKWQOIJGKMB-UHFFFAOYSA-N -1 3 381.226 2.868 20 10 GFCDHM Cc1cc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)c(C)c(C)c1O ZINC000775291219 656623262 /nfs/dbraw/zinc/62/32/62/656623262.db2.gz GEQCLDCAGPIYAQ-UHFFFAOYSA-N -1 3 383.491 2.663 20 10 GFCDHM O=S(=O)(NCCNCc1c([O-])ccc(Cl)c1F)c1cccc(Cl)c1 ZINC000790958493 658049489 /nfs/dbraw/zinc/04/94/89/658049489.db2.gz QNEAHOGAJYKTLC-UHFFFAOYSA-N -1 3 393.267 2.906 20 10 GFCDHM Cc1cc(CNC(=O)c2cccc(O)c2[O-])ccc1I ZINC000799011268 659160145 /nfs/dbraw/zinc/16/01/45/659160145.db2.gz LNDGXZLOPBKFRO-UHFFFAOYSA-N -1 3 383.185 2.941 20 10 GFCDHM Cc1cc(Br)c([O-])c(CNc2cccc(C(=O)NC(N)=O)c2)c1 ZINC000801734975 659420469 /nfs/dbraw/zinc/42/04/69/659420469.db2.gz DLBSMJIPYFWVEB-UHFFFAOYSA-N -1 3 378.226 2.884 20 10 GFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1c1nc2c(s1)COCC2 ZINC000285814341 563538311 /nfs/dbraw/zinc/53/83/11/563538311.db2.gz BJHRDPNBNKRXSM-UHFFFAOYSA-N -1 3 379.825 2.544 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000365557188 563786749 /nfs/dbraw/zinc/78/67/49/563786749.db2.gz QXEGJDPSOPXXIT-JKDFXYPNSA-N -1 3 386.286 2.932 20 10 GFCDHM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCN1C1CCCC1 ZINC000528292715 564776008 /nfs/dbraw/zinc/77/60/08/564776008.db2.gz GKNAJSZQLWRCRE-AWEZNQCLSA-N -1 3 382.302 2.971 20 10 GFCDHM CCN(Cc1cc(Br)ccc1O)c1ccc(-c2nnn[n-]2)cn1 ZINC000821220994 607302303 /nfs/dbraw/zinc/30/23/03/607302303.db2.gz HIURNJAKELNUPV-UHFFFAOYSA-N -1 3 375.230 2.756 20 10 GFCDHM CCN(Cc1cc(Br)ccc1O)c1ccc(-c2nn[n-]n2)cn1 ZINC000821220994 607302304 /nfs/dbraw/zinc/30/23/04/607302304.db2.gz HIURNJAKELNUPV-UHFFFAOYSA-N -1 3 375.230 2.756 20 10 GFCDHM COc1ccc(N(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C(C)C)cc1F ZINC000737100242 598258090 /nfs/dbraw/zinc/25/80/90/598258090.db2.gz UFAODDBBNNIXOS-UHFFFAOYSA-N -1 3 398.442 2.546 20 10 GFCDHM COc1ccc(N(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C(C)C)cc1F ZINC000737100242 598258091 /nfs/dbraw/zinc/25/80/91/598258091.db2.gz UFAODDBBNNIXOS-UHFFFAOYSA-N -1 3 398.442 2.546 20 10 GFCDHM Cc1cc(C(=O)NCc2ccc(O)cc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236341 598618799 /nfs/dbraw/zinc/61/87/99/598618799.db2.gz IWPZWRYTTMZODK-UHFFFAOYSA-N -1 3 388.431 2.910 20 10 GFCDHM Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257688 607629294 /nfs/dbraw/zinc/62/92/94/607629294.db2.gz LPJMTKXDOHZCHZ-WBVHZDCISA-N -1 3 394.479 2.507 20 10 GFCDHM COc1ccc(O)c([C@H](C)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000833733472 605126949 /nfs/dbraw/zinc/12/69/49/605126949.db2.gz INMYXDOAXPRGFZ-HZMBPMFUSA-N -1 3 376.434 2.617 20 10 GFCDHM C[C@@H]1CN(c2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cc2F)C[C@@H](C)O1 ZINC000820777125 606049498 /nfs/dbraw/zinc/04/94/98/606049498.db2.gz PKFHCYJBLYZRBW-CHWSQXEVSA-N -1 3 383.431 2.627 20 10 GFCDHM C[C@@H]1CN(c2ccc(CNc3ccc(-c4nn[n-]n4)nc3)cc2F)C[C@@H](C)O1 ZINC000820777125 606049500 /nfs/dbraw/zinc/04/95/00/606049500.db2.gz PKFHCYJBLYZRBW-CHWSQXEVSA-N -1 3 383.431 2.627 20 10 GFCDHM COc1ccc(N2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)cc1F ZINC000821831757 606633866 /nfs/dbraw/zinc/63/38/66/606633866.db2.gz LRAWJUYEZGOEOP-UHFFFAOYSA-N -1 3 388.834 2.994 20 10 GFCDHM COc1ccc(N2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)cc1F ZINC000821831757 606633867 /nfs/dbraw/zinc/63/38/67/606633867.db2.gz LRAWJUYEZGOEOP-UHFFFAOYSA-N -1 3 388.834 2.994 20 10 GFCDHM Cc1cc(C(=O)N[C@H]2CCCC[C@H]2CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259100 607993659 /nfs/dbraw/zinc/99/36/59/607993659.db2.gz HLCJJJFNKCZUOR-LPHOPBHVSA-N -1 3 394.479 2.555 20 10 GFCDHM CCC1(CC)CN(Cc2ccc(Br)cc2[O-])CCS1(=O)=O ZINC000825567106 660433475 /nfs/dbraw/zinc/43/34/75/660433475.db2.gz FHXMDBYZQGFEBN-UHFFFAOYSA-N -1 3 376.316 2.944 20 10 GFCDHM O=C(c1ccccc1[O-])N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000091923190 655010825 /nfs/dbraw/zinc/01/08/25/655010825.db2.gz OBFOLKYYMIDQPG-UHFFFAOYSA-N -1 3 391.265 2.818 20 10 GFCDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1Cl ZINC000103156824 655067935 /nfs/dbraw/zinc/06/79/35/655067935.db2.gz WLKJONYDIPEMCK-UHFFFAOYSA-N -1 3 384.860 2.794 20 10 GFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cncc(Cl)n1 ZINC000760858644 655993807 /nfs/dbraw/zinc/99/38/07/655993807.db2.gz IWCABDOIIRWMTB-ZDUSSCGKSA-N -1 3 381.263 2.883 20 10 GFCDHM COc1c([O-])c(CN[C@@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000775031748 656589509 /nfs/dbraw/zinc/58/95/09/656589509.db2.gz FOPWETBWDZXULE-ZDUSSCGKSA-N -1 3 397.225 2.895 20 10 GFCDHM COC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(Br)c1 ZINC000776338232 656730863 /nfs/dbraw/zinc/73/08/63/656730863.db2.gz HABKJWSSYRYNQC-CYBMUJFWSA-N -1 3 394.221 2.895 20 10 GFCDHM O=S(=O)(C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1)N1CCCC1 ZINC000816599918 660162178 /nfs/dbraw/zinc/16/21/78/660162178.db2.gz DJGNIWXZCAEUDP-UHFFFAOYSA-N -1 3 376.881 2.575 20 10 GFCDHM CCN(Cc1cn(C[C@@H]2CCCO2)nn1)Cc1cc(Br)ccc1[O-] ZINC000876793402 662866563 /nfs/dbraw/zinc/86/65/63/662866563.db2.gz CZLOFVWKJUNKPI-INIZCTEOSA-N -1 3 395.301 2.947 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCc2nccn2C1 ZINC000370428763 563243553 /nfs/dbraw/zinc/24/35/53/563243553.db2.gz SHBJRYIATSIZFU-GFCCVEGCSA-N -1 3 378.270 2.962 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC1([S@@](C)=O)CC1 ZINC000281998951 563393854 /nfs/dbraw/zinc/39/38/54/563393854.db2.gz QCXBPHCWSXBGJT-JOCHJYFZSA-N -1 3 389.315 2.597 20 10 GFCDHM C[C@H]1C[C@H](c2ccsc2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000364638176 563760372 /nfs/dbraw/zinc/76/03/72/563760372.db2.gz MEWXCPLYYGLRLT-AAEUAGOBSA-N -1 3 380.491 2.843 20 10 GFCDHM COc1cc(Br)cc(CN2CCOC[C@H]2[C@H]2CCCC2=O)c1[O-] ZINC000365152089 563775510 /nfs/dbraw/zinc/77/55/10/563775510.db2.gz NPQNXLOHJIXGJD-KGLIPLIRSA-N -1 3 384.270 2.733 20 10 GFCDHM CCn1cnnc1[C@H]1CN([C@@H](C)c2cc(Br)ccc2[O-])CCO1 ZINC000365527265 563786102 /nfs/dbraw/zinc/78/61/02/563786102.db2.gz HLYVFGXUWPQJMD-XHDPSFHLSA-N -1 3 381.274 2.901 20 10 GFCDHM O=S(=O)(NC1CCN(Cc2cccc(Cl)c2[O-])CC1)c1ccccc1 ZINC000367716884 563852956 /nfs/dbraw/zinc/85/29/56/563852956.db2.gz BFUYUALEAAZYTH-UHFFFAOYSA-N -1 3 380.897 2.989 20 10 GFCDHM CCN(CCOc1ccc(-c2nnn[n-]2)cc1OC)c1ccc(OC)c(OC)c1 ZINC000736541439 598984280 /nfs/dbraw/zinc/98/42/80/598984280.db2.gz GFNKMSUKKJMENC-UHFFFAOYSA-N -1 3 399.451 2.798 20 10 GFCDHM CCN(CCOc1ccc(-c2nn[n-]n2)cc1OC)c1ccc(OC)c(OC)c1 ZINC000736541439 598984282 /nfs/dbraw/zinc/98/42/82/598984282.db2.gz GFNKMSUKKJMENC-UHFFFAOYSA-N -1 3 399.451 2.798 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737271200 599104859 /nfs/dbraw/zinc/10/48/59/599104859.db2.gz TVWDVHONFGNDKQ-AWEZNQCLSA-N -1 3 379.468 2.802 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737271200 599104860 /nfs/dbraw/zinc/10/48/60/599104860.db2.gz TVWDVHONFGNDKQ-AWEZNQCLSA-N -1 3 379.468 2.802 20 10 GFCDHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(C)n1-c1ccccn1 ZINC000737236648 598308935 /nfs/dbraw/zinc/30/89/35/598308935.db2.gz PNBXJZOWICHJFQ-UHFFFAOYSA-N -1 3 391.410 2.738 20 10 GFCDHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(C)n1-c1ccccn1 ZINC000737236648 598308937 /nfs/dbraw/zinc/30/89/37/598308937.db2.gz PNBXJZOWICHJFQ-UHFFFAOYSA-N -1 3 391.410 2.738 20 10 GFCDHM CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CCO1 ZINC000736406796 598610130 /nfs/dbraw/zinc/61/01/30/598610130.db2.gz BZKHOGGJJVLOSK-QGZVFWFLSA-N -1 3 380.452 2.525 20 10 GFCDHM Cc1cc(C(=O)Nc2n[nH]c(C)c2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737453686 598612596 /nfs/dbraw/zinc/61/25/96/598612596.db2.gz RIFWXPFSXYSYMG-UHFFFAOYSA-N -1 3 376.424 2.866 20 10 GFCDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000736637981 598781945 /nfs/dbraw/zinc/78/19/45/598781945.db2.gz WBPMJIMQZMXJEC-NSHDSACASA-N -1 3 398.423 2.862 20 10 GFCDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000736637981 598781946 /nfs/dbraw/zinc/78/19/46/598781946.db2.gz WBPMJIMQZMXJEC-NSHDSACASA-N -1 3 398.423 2.862 20 10 GFCDHM COc1ccc(O)c(CN2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])c1 ZINC000833733504 605230370 /nfs/dbraw/zinc/23/03/70/605230370.db2.gz IXXSHIYOPSCYCG-QGZVFWFLSA-N -1 3 387.432 2.992 20 10 GFCDHM CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821589665 606254697 /nfs/dbraw/zinc/25/46/97/606254697.db2.gz XZZUIOCDKUUDAX-UHFFFAOYSA-N -1 3 391.435 2.696 20 10 GFCDHM CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821589665 606254698 /nfs/dbraw/zinc/25/46/98/606254698.db2.gz XZZUIOCDKUUDAX-UHFFFAOYSA-N -1 3 391.435 2.696 20 10 GFCDHM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cccc(-c2nnn[n-]2)c1 ZINC000823290340 606276453 /nfs/dbraw/zinc/27/64/53/606276453.db2.gz WMZMQYPSDCGFMZ-UHFFFAOYSA-N -1 3 382.387 2.829 20 10 GFCDHM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cccc(-c2nn[n-]n2)c1 ZINC000823290340 606276455 /nfs/dbraw/zinc/27/64/55/606276455.db2.gz WMZMQYPSDCGFMZ-UHFFFAOYSA-N -1 3 382.387 2.829 20 10 GFCDHM Cc1cc(-c2nc(-c3cnccn3)no2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822129031 606601067 /nfs/dbraw/zinc/60/10/67/606601067.db2.gz GZVNXLBVHLCCBF-UHFFFAOYSA-N -1 3 385.391 2.781 20 10 GFCDHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccc(N2CCCC2)cc1 ZINC000821702481 606616428 /nfs/dbraw/zinc/61/64/28/606616428.db2.gz VKHCVZWSTJRQFQ-UHFFFAOYSA-N -1 3 381.436 2.933 20 10 GFCDHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(N2CCCC2)cc1 ZINC000821702481 606616430 /nfs/dbraw/zinc/61/64/30/606616430.db2.gz VKHCVZWSTJRQFQ-UHFFFAOYSA-N -1 3 381.436 2.933 20 10 GFCDHM Cc1cc(C(=O)Nc2c[nH]c(=O)c(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826270578 607955905 /nfs/dbraw/zinc/95/59/05/607955905.db2.gz FYYPOTFHQLCESZ-UHFFFAOYSA-N -1 3 389.419 2.936 20 10 GFCDHM Cc1cc(C(=O)N2CCCC[C@H]2CCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257859 608054200 /nfs/dbraw/zinc/05/42/00/608054200.db2.gz QVJPWXAOPYUQNE-KRWDZBQOSA-N -1 3 394.479 2.651 20 10 GFCDHM Cc1cc(C(=O)OCc2nnc(C)s2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826336076 608319166 /nfs/dbraw/zinc/31/91/66/608319166.db2.gz MHCUEVGOTTWRIE-UHFFFAOYSA-N -1 3 395.448 2.791 20 10 GFCDHM Cc1cc(C(=O)NC2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259243 608491762 /nfs/dbraw/zinc/49/17/62/608491762.db2.gz MCFHHIAJZXERHS-KBPBESRZSA-N -1 3 394.479 2.960 20 10 GFCDHM COc1ccc(-c2nn[n-]n2)cc1NCc1cc(Br)ccc1O ZINC000826186551 609483841 /nfs/dbraw/zinc/48/38/41/609483841.db2.gz YMGGWFPNEDFJQL-UHFFFAOYSA-N -1 3 376.214 2.956 20 10 GFCDHM O=S1(=O)CCN(Cc2ccc(Br)cc2[O-])Cc2ccccc21 ZINC000825549890 660432820 /nfs/dbraw/zinc/43/28/20/660432820.db2.gz TZXKGVYIOTXARR-UHFFFAOYSA-N -1 3 382.279 2.944 20 10 GFCDHM O=S(=O)([N-]C1CCN(c2ccc(OC(F)F)cc2)CC1)c1cscn1 ZINC000827091473 660478529 /nfs/dbraw/zinc/47/85/29/660478529.db2.gz XPZMRJXWXFPBNC-UHFFFAOYSA-N -1 3 389.449 2.692 20 10 GFCDHM O=[N+]([O-])c1cccnc1N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000835057465 660839804 /nfs/dbraw/zinc/83/98/04/660839804.db2.gz CQBPVCGHOGTCOY-UHFFFAOYSA-N -1 3 393.241 2.780 20 10 GFCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000047367506 654693904 /nfs/dbraw/zinc/69/39/04/654693904.db2.gz BSMBHBNFBCHZQB-UHFFFAOYSA-N -1 3 390.433 2.917 20 10 GFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000060733576 654832869 /nfs/dbraw/zinc/83/28/69/654832869.db2.gz DVGFOVPCBZVUBI-UHFFFAOYSA-N -1 3 376.406 2.527 20 10 GFCDHM COc1ccnc(N2CCN(Cc3cccc(Br)c3[O-])CC2)c1 ZINC000093079136 655017176 /nfs/dbraw/zinc/01/71/76/655017176.db2.gz WYUBIXFDBSMCNH-UHFFFAOYSA-N -1 3 378.270 2.881 20 10 GFCDHM O=S(=O)(c1ccccc1)N1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000119204215 655292935 /nfs/dbraw/zinc/29/29/35/655292935.db2.gz CIICVSDAEZCILY-UHFFFAOYSA-N -1 3 380.897 2.942 20 10 GFCDHM COCCNC(=O)C1(N[C@H](C)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000840822270 661192343 /nfs/dbraw/zinc/19/23/43/661192343.db2.gz JVMUJLGQOXRUQZ-SECBINFHSA-N -1 3 391.693 2.754 20 10 GFCDHM CCOC(=O)[C@@H](Cc1ccccn1)NCc1cc(Br)ccc1[O-] ZINC000763479378 656084216 /nfs/dbraw/zinc/08/42/16/656084216.db2.gz KBJVOQNOVHGHIU-OAHLLOKOSA-N -1 3 379.254 2.814 20 10 GFCDHM COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000808105585 659876869 /nfs/dbraw/zinc/87/68/69/659876869.db2.gz JRWYUIIWNUINMC-UHFFFAOYSA-N -1 3 388.804 2.953 20 10 GFCDHM Cn1ncc(I)c1CNCc1c([O-])cccc1Cl ZINC000865868218 662448405 /nfs/dbraw/zinc/44/84/05/662448405.db2.gz LLDWYDXMBKKVGK-UHFFFAOYSA-N -1 3 377.613 2.674 20 10 GFCDHM CCC(CC)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F ZINC000871263170 662718906 /nfs/dbraw/zinc/71/89/06/662718906.db2.gz XVBLPLXRJVRPFI-UHFFFAOYSA-N -1 3 382.404 2.862 20 10 GFCDHM COC(=O)c1cc2n(n1)CCC[C@@H]2NCc1cc(Br)cc(F)c1[O-] ZINC000897990518 663629346 /nfs/dbraw/zinc/62/93/46/663629346.db2.gz VNGBKRJRCRQOAN-LBPRGKRZSA-N -1 3 398.232 2.902 20 10 GFCDHM C[C@@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000186158575 552380431 /nfs/dbraw/zinc/38/04/31/552380431.db2.gz HALQNDHYFBLTCF-ZYHUDNBSSA-N -1 3 375.899 2.593 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)[C@H]1CCO[C@@H](C)C1 ZINC000295347506 563243432 /nfs/dbraw/zinc/24/34/32/563243432.db2.gz YGPAGMBUSQSAPE-FZMZJTMJSA-N -1 3 392.315 2.874 20 10 GFCDHM CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2[O-])C[C@@]2(CCOC2)O1 ZINC000373481947 563339539 /nfs/dbraw/zinc/33/95/39/563339539.db2.gz RCVINIQKZGSOQE-RHSMWYFYSA-N -1 3 386.286 2.933 20 10 GFCDHM O=[N+]([O-])c1ccccc1NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738368091 598317838 /nfs/dbraw/zinc/31/78/38/598317838.db2.gz DTEPPMPAKBQIJT-UHFFFAOYSA-N -1 3 390.816 2.742 20 10 GFCDHM O=[N+]([O-])c1ccccc1NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738368091 598317840 /nfs/dbraw/zinc/31/78/40/598317840.db2.gz DTEPPMPAKBQIJT-UHFFFAOYSA-N -1 3 390.816 2.742 20 10 GFCDHM O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738103323 598319593 /nfs/dbraw/zinc/31/95/93/598319593.db2.gz IGUFCDDGPOEODK-UHFFFAOYSA-N -1 3 395.442 2.605 20 10 GFCDHM O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738103323 598319595 /nfs/dbraw/zinc/31/95/95/598319595.db2.gz IGUFCDDGPOEODK-UHFFFAOYSA-N -1 3 395.442 2.605 20 10 GFCDHM COCC1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CC1 ZINC000736972743 598767895 /nfs/dbraw/zinc/76/78/95/598767895.db2.gz OJJRIAIJSPEOJB-UHFFFAOYSA-N -1 3 394.479 2.773 20 10 GFCDHM CCc1nnc(NCCCSc2nccs2)c(-c2nnn[n-]2)c1CC ZINC000821535546 606911202 /nfs/dbraw/zinc/91/12/02/606911202.db2.gz KGIZGGFVYRKPTO-UHFFFAOYSA-N -1 3 376.515 2.832 20 10 GFCDHM CCc1nnc(NCCCSc2nccs2)c(-c2nn[n-]n2)c1CC ZINC000821535546 606911204 /nfs/dbraw/zinc/91/12/04/606911204.db2.gz KGIZGGFVYRKPTO-UHFFFAOYSA-N -1 3 376.515 2.832 20 10 GFCDHM CC[C@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)[C@H]1CCCO1 ZINC000825133399 607912813 /nfs/dbraw/zinc/91/28/13/607912813.db2.gz MMRJNBICLPCMLP-RBUKOAKNSA-N -1 3 394.479 2.962 20 10 GFCDHM Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259099 607993533 /nfs/dbraw/zinc/99/35/33/607993533.db2.gz HLCJJJFNKCZUOR-APWZRJJASA-N -1 3 394.479 2.555 20 10 GFCDHM CC[C@H](C[C@H](C)CO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825081118 607993977 /nfs/dbraw/zinc/99/39/77/607993977.db2.gz GJVIKSDOJHQNMR-SUMWQHHRSA-N -1 3 396.495 2.801 20 10 GFCDHM Cc1cc(C(=O)Nc2cc(Cl)[nH]n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260355 608200093 /nfs/dbraw/zinc/20/00/93/608200093.db2.gz KIBZCFUASJAZQY-UHFFFAOYSA-N -1 3 382.815 2.903 20 10 GFCDHM O=C(CSc1nncs1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134262396 654988707 /nfs/dbraw/zinc/98/87/07/654988707.db2.gz NUWMGFAQEBRPNR-CYBMUJFWSA-N -1 3 398.941 2.770 20 10 GFCDHM Cn1ccnc1[C@H](O)C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093454807 655019987 /nfs/dbraw/zinc/01/99/87/655019987.db2.gz WTPBKBUOUWKLCJ-MRXNPFEDSA-N -1 3 380.286 2.834 20 10 GFCDHM CCCCN(Cc1cccc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179613627 655315254 /nfs/dbraw/zinc/31/52/54/655315254.db2.gz NFNNSLLAXCSPOM-ZDUSSCGKSA-N -1 3 376.316 2.944 20 10 GFCDHM O=S(=O)([N-]CCCSc1nccs1)c1ccc(Br)cn1 ZINC000742295899 655714507 /nfs/dbraw/zinc/71/45/07/655714507.db2.gz ACBBUGJKCBIJEG-UHFFFAOYSA-N -1 3 394.341 2.761 20 10 GFCDHM CN(C)[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])c1ccco1 ZINC000765447270 656143284 /nfs/dbraw/zinc/14/32/84/656143284.db2.gz UDBXPLLZWNTMGK-ZDUSSCGKSA-N -1 3 382.258 2.850 20 10 GFCDHM O=S(=O)([N-]CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccc(Cl)s1 ZINC000776253627 656722961 /nfs/dbraw/zinc/72/29/61/656722961.db2.gz ULYAJROCQGINSO-UHFFFAOYSA-N -1 3 399.296 2.968 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cc(F)c(Cl)cc2F)c1 ZINC000790238456 657939908 /nfs/dbraw/zinc/93/99/08/657939908.db2.gz LBPDCMXEELUHHB-UHFFFAOYSA-N -1 3 390.795 2.625 20 10 GFCDHM O=S(=O)([N-]CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])c1ccc(F)cc1F ZINC000799736231 659218317 /nfs/dbraw/zinc/21/83/17/659218317.db2.gz IXTQHWPGTOLNFV-UHFFFAOYSA-N -1 3 394.802 2.531 20 10 GFCDHM CON(Cc1ccc(Cl)cc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000812798776 660034817 /nfs/dbraw/zinc/03/48/17/660034817.db2.gz JVMKXCUIKDAJIG-UHFFFAOYSA-N -1 3 384.841 2.621 20 10 GFCDHM Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894095622 663442614 /nfs/dbraw/zinc/44/26/14/663442614.db2.gz RDJCWMKQAPNAMK-MEDUHNTESA-N -1 3 398.276 2.973 20 10 GFCDHM COC(=O)c1cc(C2CN(Cc3cc(C)cc(Br)c3[O-])C2)[nH]n1 ZINC000898005286 663630015 /nfs/dbraw/zinc/63/00/15/663630015.db2.gz TYIXNEAHVUPVOA-UHFFFAOYSA-N -1 3 380.242 2.572 20 10 GFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1 ZINC000055639024 551174065 /nfs/dbraw/zinc/17/40/65/551174065.db2.gz SMNOOXJRXWESPV-UHFFFAOYSA-N -1 3 384.479 2.566 20 10 GFCDHM CC(C)N(CC(N)=O)Cc1cc(Br)cc(Br)c1[O-] ZINC000179579417 552197301 /nfs/dbraw/zinc/19/73/01/552197301.db2.gz QEZYHTNYZXWHBW-UHFFFAOYSA-N -1 3 380.080 2.613 20 10 GFCDHM C[C@H](NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000186158556 552380501 /nfs/dbraw/zinc/38/05/01/552380501.db2.gz HALQNDHYFBLTCF-CMPLNLGQSA-N -1 3 375.899 2.593 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c1[O-] ZINC000190146056 552488605 /nfs/dbraw/zinc/48/86/05/552488605.db2.gz OOWSHYPTKQGNKY-QWHCGFSZSA-N -1 3 398.257 2.817 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c1[O-] ZINC000369549018 563217202 /nfs/dbraw/zinc/21/72/02/563217202.db2.gz XAVLLNRMCIEXJC-QGZVFWFLSA-N -1 3 386.286 2.933 20 10 GFCDHM NC(=O)[C@@H]1CC[C@H](C(F)(F)F)N(Cc2cc(Br)ccc2[O-])C1 ZINC000371397613 563276252 /nfs/dbraw/zinc/27/62/52/563276252.db2.gz AGHDNWGFWALZCH-PRHODGIISA-N -1 3 381.192 2.783 20 10 GFCDHM C[C@@]1(c2cccs2)C[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000371606054 563283135 /nfs/dbraw/zinc/28/31/35/563283135.db2.gz SYYVGCRQVBSUCV-PIGZYNQJSA-N -1 3 380.491 2.533 20 10 GFCDHM C[C@@H]1C[C@H](c2cccs2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000371765728 563287233 /nfs/dbraw/zinc/28/72/33/563287233.db2.gz MQUJLHIEBFOQPS-NEPJUHHUSA-N -1 3 380.491 2.843 20 10 GFCDHM O=C(CNCc1cc(Br)ccc1[O-])N[C@@H]1CCOc2ccccc21 ZINC000374327573 563368102 /nfs/dbraw/zinc/36/81/02/563368102.db2.gz REPMWWHIHCPOSC-OAHLLOKOSA-N -1 3 391.265 2.884 20 10 GFCDHM Cc1cc(C(=O)NCc2cc(Br)ccc2[O-])n(C2CCOCC2)n1 ZINC000529385747 564833341 /nfs/dbraw/zinc/83/33/41/564833341.db2.gz GVVQXYAEGTWEPM-UHFFFAOYSA-N -1 3 394.269 2.941 20 10 GFCDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(N(C)C)cc1 ZINC000737263805 599260328 /nfs/dbraw/zinc/26/03/28/599260328.db2.gz PIINWYSVVVPIMN-UHFFFAOYSA-N -1 3 377.427 2.962 20 10 GFCDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCc1ccc(N(C)C)cc1 ZINC000737263805 599260332 /nfs/dbraw/zinc/26/03/32/599260332.db2.gz PIINWYSVVVPIMN-UHFFFAOYSA-N -1 3 377.427 2.962 20 10 GFCDHM Cc1cc(C(=O)NC[C@@H]2CCCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233369 598611789 /nfs/dbraw/zinc/61/17/89/598611789.db2.gz BUGYENCETGBENS-KRWDZBQOSA-N -1 3 380.452 2.573 20 10 GFCDHM O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738103264 598633272 /nfs/dbraw/zinc/63/32/72/598633272.db2.gz GOILUKJLJYBRQY-UHFFFAOYSA-N -1 3 381.415 2.928 20 10 GFCDHM O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738103264 598633274 /nfs/dbraw/zinc/63/32/74/598633274.db2.gz GOILUKJLJYBRQY-UHFFFAOYSA-N -1 3 381.415 2.928 20 10 GFCDHM Cc1ncccc1C=C1SC(=S)N(c2ccccc2-c2nnn[n-]2)C1=O ZINC000737503277 598779820 /nfs/dbraw/zinc/77/98/20/598779820.db2.gz SORKTPUNTUAHEK-ZROIWOOFSA-N -1 3 380.458 2.976 20 10 GFCDHM Cc1ncccc1C=C1SC(=S)N(c2ccccc2-c2nn[n-]n2)C1=O ZINC000737503277 598779821 /nfs/dbraw/zinc/77/98/21/598779821.db2.gz SORKTPUNTUAHEK-ZROIWOOFSA-N -1 3 380.458 2.976 20 10 GFCDHM C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340620 599470766 /nfs/dbraw/zinc/47/07/66/599470766.db2.gz MEQSUQNKHGWDIC-CQSZACIVSA-N -1 3 379.468 2.835 20 10 GFCDHM C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340620 599470769 /nfs/dbraw/zinc/47/07/69/599470769.db2.gz MEQSUQNKHGWDIC-CQSZACIVSA-N -1 3 379.468 2.835 20 10 GFCDHM COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821838320 599486801 /nfs/dbraw/zinc/48/68/01/599486801.db2.gz LCUOICJHTXAKRT-NWDGAFQWSA-N -1 3 382.424 2.702 20 10 GFCDHM COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821838320 599486802 /nfs/dbraw/zinc/48/68/02/599486802.db2.gz LCUOICJHTXAKRT-NWDGAFQWSA-N -1 3 382.424 2.702 20 10 GFCDHM CN(Cc1ccccc1O)CC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C ZINC000737409731 600313309 /nfs/dbraw/zinc/31/33/09/600313309.db2.gz XOJGWYQTRRHSJX-LJQANCHMSA-N -1 3 381.432 2.559 20 10 GFCDHM O=C(NCc1ccc(N2CCCC2)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823252962 606669759 /nfs/dbraw/zinc/66/97/59/606669759.db2.gz BNBRLWZMZGJLNJ-UHFFFAOYSA-N -1 3 384.390 2.675 20 10 GFCDHM O=C(NCc1ccc(N2CCCC2)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823252962 606669760 /nfs/dbraw/zinc/66/97/60/606669760.db2.gz BNBRLWZMZGJLNJ-UHFFFAOYSA-N -1 3 384.390 2.675 20 10 GFCDHM Cc1cc(C(=O)N(C)CC2(O)CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826256895 607778054 /nfs/dbraw/zinc/77/80/54/607778054.db2.gz FPCOHTSRJRXPTG-UHFFFAOYSA-N -1 3 394.479 2.651 20 10 GFCDHM Cc1cc(C(=O)NCc2cncc(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826319541 608038063 /nfs/dbraw/zinc/03/80/63/608038063.db2.gz HOMXXPFIIJDIIL-UHFFFAOYSA-N -1 3 387.447 2.908 20 10 GFCDHM CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825879766 609201014 /nfs/dbraw/zinc/20/10/14/609201014.db2.gz RKWKLIDXTCLLDE-UHFFFAOYSA-N -1 3 391.435 2.696 20 10 GFCDHM CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825879766 609201015 /nfs/dbraw/zinc/20/10/15/609201015.db2.gz RKWKLIDXTCLLDE-UHFFFAOYSA-N -1 3 391.435 2.696 20 10 GFCDHM O=C(NCCCSc1nccs1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823196997 660364552 /nfs/dbraw/zinc/36/45/52/660364552.db2.gz OGSWMICSQBWHMT-UHFFFAOYSA-N -1 3 379.446 2.766 20 10 GFCDHM O=C(NCCCSc1nccs1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823196997 660364556 /nfs/dbraw/zinc/36/45/56/660364556.db2.gz OGSWMICSQBWHMT-UHFFFAOYSA-N -1 3 379.446 2.766 20 10 GFCDHM Cc1cc(C(=O)N2CCN(Cc3cc(Br)ccc3[O-])[C@H](C)C2)[nH]n1 ZINC000835073319 660840201 /nfs/dbraw/zinc/84/02/01/660840201.db2.gz MBCRGWSJORXVQC-GFCCVEGCSA-N -1 3 393.285 2.533 20 10 GFCDHM [O-]c1c(Br)cccc1CNc1cc(N2CCC[C@H](CO)C2)ncn1 ZINC000277285708 655311265 /nfs/dbraw/zinc/31/12/65/655311265.db2.gz ALUYPSJXDTYKCH-LBPRGKRZSA-N -1 3 393.285 2.766 20 10 GFCDHM C[C@]1(C(N)=O)CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000280325336 655329157 /nfs/dbraw/zinc/32/91/57/655329157.db2.gz QPWNPVGTQBZIJQ-ZDUSSCGKSA-N -1 3 392.091 2.615 20 10 GFCDHM O=S(=O)(Cc1ccccc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768192718 656234384 /nfs/dbraw/zinc/23/43/84/656234384.db2.gz RWFYKBWLRPAZJL-UHFFFAOYSA-N -1 3 380.897 2.693 20 10 GFCDHM COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1cccc(O)c1[O-] ZINC000789865296 657894478 /nfs/dbraw/zinc/89/44/78/657894478.db2.gz GGNBKEROXAIMAM-UHFFFAOYSA-N -1 3 394.221 2.676 20 10 GFCDHM Cc1cc(C(=O)CSCCc2nnn[n-]2)c(C)n1-c1ccc(Cl)cn1 ZINC000882190676 663020035 /nfs/dbraw/zinc/02/00/35/663020035.db2.gz LPZDWBSGAKYGTE-UHFFFAOYSA-N -1 3 376.873 2.814 20 10 GFCDHM Cc1cc(C(=O)CSCCc2nn[n-]n2)c(C)n1-c1ccc(Cl)cn1 ZINC000882190676 663020037 /nfs/dbraw/zinc/02/00/37/663020037.db2.gz LPZDWBSGAKYGTE-UHFFFAOYSA-N -1 3 376.873 2.814 20 10 GFCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)CC)cc2)cc1 ZINC000055639151 551173829 /nfs/dbraw/zinc/17/38/29/551173829.db2.gz XSAZFKWPQFLBGA-UHFFFAOYSA-N -1 3 384.479 2.648 20 10 GFCDHM O=C(COCC(F)(F)F)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158084788 551546914 /nfs/dbraw/zinc/54/69/14/551546914.db2.gz QFJZZDIBCCOKCS-CYBMUJFWSA-N -1 3 380.794 2.705 20 10 GFCDHM CCc1nc(CC(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])cs1 ZINC000181590801 552262054 /nfs/dbraw/zinc/26/20/54/552262054.db2.gz XFRCTURNKSCZCB-UHFFFAOYSA-N -1 3 382.869 2.809 20 10 GFCDHM NC(=O)C[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000377839405 563487600 /nfs/dbraw/zinc/48/76/00/563487600.db2.gz IWQGZQJVUMUNHW-MRVPVSSYSA-N -1 3 392.091 2.615 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000363325250 563719361 /nfs/dbraw/zinc/71/93/61/563719361.db2.gz ANXRIQLKIGUSTQ-CQSZACIVSA-N -1 3 393.285 2.516 20 10 GFCDHM Cc1cc(C(=O)N2[C@H](C)COC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234622 598953526 /nfs/dbraw/zinc/95/35/26/598953526.db2.gz OARBFRZJCMFPMW-ZIAGYGMSSA-N -1 3 380.452 2.524 20 10 GFCDHM CN(Cc1ccccc1O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736827953 598562327 /nfs/dbraw/zinc/56/23/27/598562327.db2.gz DLWFNKXAVQJZKU-UHFFFAOYSA-N -1 3 390.350 2.838 20 10 GFCDHM CN(Cc1ccccc1O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736827953 598562328 /nfs/dbraw/zinc/56/23/28/598562328.db2.gz DLWFNKXAVQJZKU-UHFFFAOYSA-N -1 3 390.350 2.838 20 10 GFCDHM Cc1cc(C(=O)NCCCOC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236306 598611018 /nfs/dbraw/zinc/61/10/18/598611018.db2.gz HXFZOKHPYSGJDG-UHFFFAOYSA-N -1 3 382.468 2.819 20 10 GFCDHM Cc1cc(C(=O)NCc2cccc(O)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236882 598618945 /nfs/dbraw/zinc/61/89/45/598618945.db2.gz TWVSRXHAOSFCSO-UHFFFAOYSA-N -1 3 388.431 2.910 20 10 GFCDHM Cc1cc(C(=O)O[C@@H](C)c2nnc(C)o2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737523614 598623898 /nfs/dbraw/zinc/62/38/98/598623898.db2.gz WPKXZGGUEDGKGK-LBPRGKRZSA-N -1 3 393.407 2.884 20 10 GFCDHM O=C(NCc1ccc(N2CCCC2)cc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823253456 599421011 /nfs/dbraw/zinc/42/10/11/599421011.db2.gz ISRBZWRBEPUGMR-UHFFFAOYSA-N -1 3 395.442 2.605 20 10 GFCDHM O=C(NCc1ccc(N2CCCC2)cc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823253456 599421015 /nfs/dbraw/zinc/42/10/15/599421015.db2.gz ISRBZWRBEPUGMR-UHFFFAOYSA-N -1 3 395.442 2.605 20 10 GFCDHM Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)nc1 ZINC000822233469 606777007 /nfs/dbraw/zinc/77/70/07/606777007.db2.gz PSFUAFZSVQEQHY-RIYZIHGNSA-N -1 3 380.458 2.976 20 10 GFCDHM Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)nc1 ZINC000822233469 606777009 /nfs/dbraw/zinc/77/70/09/606777009.db2.gz PSFUAFZSVQEQHY-RIYZIHGNSA-N -1 3 380.458 2.976 20 10 GFCDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCCSc1nccs1 ZINC000822220611 606953651 /nfs/dbraw/zinc/95/36/51/606953651.db2.gz YTJVEWSDSLWBPA-UHFFFAOYSA-N -1 3 375.483 2.936 20 10 GFCDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCSc1nccs1 ZINC000822220611 606953652 /nfs/dbraw/zinc/95/36/52/606953652.db2.gz YTJVEWSDSLWBPA-UHFFFAOYSA-N -1 3 375.483 2.936 20 10 GFCDHM CC(C)(C)Oc1cccc(CNC(=S)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000824123571 608475226 /nfs/dbraw/zinc/47/52/26/608475226.db2.gz GKOSYAKKMBBJFI-UHFFFAOYSA-N -1 3 383.481 2.926 20 10 GFCDHM CC(C)(C)Oc1cccc(CNC(=S)Nc2ccccc2-c2nn[n-]n2)n1 ZINC000824123571 608475227 /nfs/dbraw/zinc/47/52/27/608475227.db2.gz GKOSYAKKMBBJFI-UHFFFAOYSA-N -1 3 383.481 2.926 20 10 GFCDHM CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2ccc(Br)cc2[O-])cn1 ZINC000825693384 660437868 /nfs/dbraw/zinc/43/78/68/660437868.db2.gz YMUKBGZFZRQDGF-WNSKOXEYSA-N -1 3 398.326 2.677 20 10 GFCDHM COC(=O)CN(Cc1csc(NC(C)=O)n1)Cc1cc(Cl)ccc1[O-] ZINC000266721600 654891274 /nfs/dbraw/zinc/89/12/74/654891274.db2.gz HSWJCMCZFCTTHT-UHFFFAOYSA-N -1 3 383.857 2.636 20 10 GFCDHM COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccccc2O)c(C)c1Cl ZINC000788622960 657754254 /nfs/dbraw/zinc/75/42/54/657754254.db2.gz AAJICJQQJVXHRC-UHFFFAOYSA-N -1 3 375.855 2.681 20 10 GFCDHM Cc1ccc(C(=O)Nc2ccc(I)c(C)n2)c([O-])c1O ZINC000795088393 658668549 /nfs/dbraw/zinc/66/85/49/658668549.db2.gz UNSQNDTYQKKRJF-UHFFFAOYSA-N -1 3 384.173 2.967 20 10 GFCDHM COc1cc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)ccc1O ZINC000797820280 659054698 /nfs/dbraw/zinc/05/46/98/659054698.db2.gz OXQRBTNIGWAWNF-UHFFFAOYSA-N -1 3 388.239 2.973 20 10 GFCDHM CC(C)CN1CCO[C@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806322704 659829435 /nfs/dbraw/zinc/82/94/35/659829435.db2.gz CSJSZUPOKVXYSF-CQSZACIVSA-N -1 3 390.311 2.855 20 10 GFCDHM Cc1csc([C@](O)(CC(=O)NCc2c([O-])cccc2F)C(F)(F)F)n1 ZINC000928712657 664737772 /nfs/dbraw/zinc/73/77/72/664737772.db2.gz VIGLNRPFCZFFRV-CQSZACIVSA-N -1 3 378.347 2.753 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)C(=O)Nc1ncccn1 ZINC000157081756 551533391 /nfs/dbraw/zinc/53/33/91/551533391.db2.gz YUTQWDJUDYAISZ-NSHDSACASA-N -1 3 379.258 2.794 20 10 GFCDHM COc1cc(Br)cc(CN[C@@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000370354480 563240810 /nfs/dbraw/zinc/24/08/10/563240810.db2.gz CZSGDOCMOVAJHO-CYBMUJFWSA-N -1 3 398.278 2.782 20 10 GFCDHM Cc1cc(Br)cc(CN2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1[O-] ZINC000371415721 563277036 /nfs/dbraw/zinc/27/70/36/563277036.db2.gz DHOSEKHGVOBTGD-INIZCTEOSA-N -1 3 397.313 2.676 20 10 GFCDHM C[C@]1(c2cccs2)C[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000371606053 563283181 /nfs/dbraw/zinc/28/31/81/563283181.db2.gz SYYVGCRQVBSUCV-GTNSWQLSSA-N -1 3 380.491 2.533 20 10 GFCDHM CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2[O-])C[C@]2(CCOC2)O1 ZINC000373481942 563339491 /nfs/dbraw/zinc/33/94/91/563339491.db2.gz RCVINIQKZGSOQE-PBHICJAKSA-N -1 3 386.286 2.933 20 10 GFCDHM CCc1nc(COC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)no1 ZINC000736704336 598844771 /nfs/dbraw/zinc/84/47/71/598844771.db2.gz MUPCWWRFTZCJDW-UHFFFAOYSA-N -1 3 393.407 2.577 20 10 GFCDHM Cc1cc(C(=O)NCc2nccs2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236139 598610909 /nfs/dbraw/zinc/61/09/09/598610909.db2.gz CQQLASBLRJNJFN-UHFFFAOYSA-N -1 3 379.449 2.661 20 10 GFCDHM Cc1cc(C(=O)NCCc2ccco2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236491 598611015 /nfs/dbraw/zinc/61/10/15/598611015.db2.gz MDCGMIPDJVLNFF-UHFFFAOYSA-N -1 3 376.420 2.840 20 10 GFCDHM Cc1cc(C(=O)N2CCCO[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233987 598611974 /nfs/dbraw/zinc/61/19/74/598611974.db2.gz JGQQXROFZMQZQN-CQSZACIVSA-N -1 3 380.452 2.525 20 10 GFCDHM CCc1nnc(COC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)o1 ZINC000736706481 598621565 /nfs/dbraw/zinc/62/15/65/598621565.db2.gz LXKXOCPIXOKBKD-UHFFFAOYSA-N -1 3 393.407 2.577 20 10 GFCDHM CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C[C@@H](C)O1 ZINC000736408903 598695381 /nfs/dbraw/zinc/69/53/81/598695381.db2.gz KUKKFTGZCCFBTN-KDOFPFPSSA-N -1 3 394.479 2.914 20 10 GFCDHM COc1ccc(O)c(CNC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821838895 607428560 /nfs/dbraw/zinc/42/85/60/607428560.db2.gz RBOWKAANLOPCHR-UHFFFAOYSA-N -1 3 398.423 2.690 20 10 GFCDHM COc1ccc(O)c(CNC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821838895 607428562 /nfs/dbraw/zinc/42/85/62/607428562.db2.gz RBOWKAANLOPCHR-UHFFFAOYSA-N -1 3 398.423 2.690 20 10 GFCDHM Cc1cc(C(=O)N2CCCOC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257410 607512460 /nfs/dbraw/zinc/51/24/60/607512460.db2.gz BEGAIGUFAQIVEX-CQSZACIVSA-N -1 3 380.452 2.525 20 10 GFCDHM COCCC(C)(C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821685529 606578479 /nfs/dbraw/zinc/57/84/79/606578479.db2.gz HFWMCPPWMJIIIY-UHFFFAOYSA-N -1 3 382.468 2.819 20 10 GFCDHM Cc1cc(C(=O)N2CC[C@@]3(CCOC3)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168823 606814208 /nfs/dbraw/zinc/81/42/08/606814208.db2.gz SSANWHMPWGINBD-OAQYLSRUSA-N -1 3 392.463 2.527 20 10 GFCDHM COc1ccc(N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1F ZINC000821828301 606881872 /nfs/dbraw/zinc/88/18/72/606881872.db2.gz SAPIRMXBMZCJPY-UHFFFAOYSA-N -1 3 381.371 2.701 20 10 GFCDHM COc1ccc(N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1F ZINC000821828301 606881873 /nfs/dbraw/zinc/88/18/73/606881873.db2.gz SAPIRMXBMZCJPY-UHFFFAOYSA-N -1 3 381.371 2.701 20 10 GFCDHM Cc1cc(C(=O)N2CCO[C@H](C)[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167275 607067029 /nfs/dbraw/zinc/06/70/29/607067029.db2.gz CCIQRNQHLOVQNT-UKRRQHHQSA-N -1 3 380.452 2.524 20 10 GFCDHM Cc1cc(C(=O)N2CCO[C@@H](C)[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167279 607067213 /nfs/dbraw/zinc/06/72/13/607067213.db2.gz CCIQRNQHLOVQNT-ZFWWWQNUSA-N -1 3 380.452 2.524 20 10 GFCDHM CCC(CC)(CO)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825089325 607808557 /nfs/dbraw/zinc/80/85/57/607808557.db2.gz CVOBMLLOUMPBRC-UHFFFAOYSA-N -1 3 396.495 2.803 20 10 GFCDHM CCN(Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)c1ccc(OC)c(OC)c1 ZINC000825434820 607924205 /nfs/dbraw/zinc/92/42/05/607924205.db2.gz GHJQYCGHRULWDB-UHFFFAOYSA-N -1 3 397.435 2.697 20 10 GFCDHM CCN(Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)c1ccc(OC)c(OC)c1 ZINC000825434820 607924206 /nfs/dbraw/zinc/92/42/06/607924206.db2.gz GHJQYCGHRULWDB-UHFFFAOYSA-N -1 3 397.435 2.697 20 10 GFCDHM CN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccc2c(c1)OCO2 ZINC000825961819 607927273 /nfs/dbraw/zinc/92/72/73/607927273.db2.gz NAQBFISYSMOQBH-UHFFFAOYSA-N -1 3 375.335 2.833 20 10 GFCDHM CN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccc2c(c1)OCO2 ZINC000825961819 607927274 /nfs/dbraw/zinc/92/72/74/607927274.db2.gz NAQBFISYSMOQBH-UHFFFAOYSA-N -1 3 375.335 2.833 20 10 GFCDHM CN(C)c1ccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1F ZINC000825878779 608853294 /nfs/dbraw/zinc/85/32/94/608853294.db2.gz FDZOGUBUVBDIFD-LJQANCHMSA-N -1 3 382.443 2.645 20 10 GFCDHM CN(C)c1ccc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1F ZINC000825878779 608853298 /nfs/dbraw/zinc/85/32/98/608853298.db2.gz FDZOGUBUVBDIFD-LJQANCHMSA-N -1 3 382.443 2.645 20 10 GFCDHM COc1ccc(N2CCCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000826209845 609538696 /nfs/dbraw/zinc/53/86/96/609538696.db2.gz SZXIZUHFZFFZSZ-UHFFFAOYSA-N -1 3 399.886 2.949 20 10 GFCDHM COc1ccc(N2CCCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000826209845 609538698 /nfs/dbraw/zinc/53/86/98/609538698.db2.gz SZXIZUHFZFFZSZ-UHFFFAOYSA-N -1 3 399.886 2.949 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000817633946 660203401 /nfs/dbraw/zinc/20/34/01/660203401.db2.gz VDDMIKLEMXIQLP-JTQLQIEISA-N -1 3 380.388 2.568 20 10 GFCDHM [O-]c1c(Br)cccc1C[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823726989 660378711 /nfs/dbraw/zinc/37/87/11/660378711.db2.gz KNJQOCUAGUGCIE-UHFFFAOYSA-N -1 3 390.241 2.503 20 10 GFCDHM Cn1ncc(Cl)c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000830544278 660662779 /nfs/dbraw/zinc/66/27/79/660662779.db2.gz NNAZAMUKZKQPOR-ZDUSSCGKSA-N -1 3 383.279 2.827 20 10 GFCDHM O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768155187 656233506 /nfs/dbraw/zinc/23/35/06/656233506.db2.gz CXBVSNJJYGORQU-UHFFFAOYSA-N -1 3 384.860 2.691 20 10 GFCDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768877335 656258273 /nfs/dbraw/zinc/25/82/73/656258273.db2.gz JXXJRCHTWVMIQU-UHFFFAOYSA-N -1 3 381.841 2.973 20 10 GFCDHM Cc1cc(Br)c([O-])c(CN([C@@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000781913987 657088930 /nfs/dbraw/zinc/08/89/30/657088930.db2.gz VGSHNSAUIULEDW-NSHDSACASA-N -1 3 376.316 2.861 20 10 GFCDHM CS(=O)(=O)c1ccc(CNCc2cccc(Br)c2[O-])s1 ZINC000786829083 657471535 /nfs/dbraw/zinc/47/15/35/657471535.db2.gz XSRVSFIXOTWBDB-UHFFFAOYSA-N -1 3 376.297 2.910 20 10 GFCDHM CC(C)CN1C[C@H]2CN(Cc3cc(Br)ccc3[O-])CCN2C1=O ZINC000787288887 657541216 /nfs/dbraw/zinc/54/12/16/657541216.db2.gz PDJANBJTKHOMLE-OAHLLOKOSA-N -1 3 382.302 2.733 20 10 GFCDHM CCSc1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000816983471 660175678 /nfs/dbraw/zinc/17/56/78/660175678.db2.gz ZFSMWADMSBETHZ-UHFFFAOYSA-N -1 3 380.491 2.806 20 10 GFCDHM COCCN(Cc1cc(C)cc(Br)c1[O-])C[C@H](O)C(F)(F)F ZINC000848922501 661689015 /nfs/dbraw/zinc/68/90/15/661689015.db2.gz VCYHZILCXSQKOB-LBPRGKRZSA-N -1 3 386.208 2.835 20 10 GFCDHM O=C(c1ccccn1)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862222997 662274648 /nfs/dbraw/zinc/27/46/48/662274648.db2.gz MDRATZYGEBUZGV-UHFFFAOYSA-N -1 3 376.254 2.508 20 10 GFCDHM C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Br)c(F)cc1[O-] ZINC000903394977 663783521 /nfs/dbraw/zinc/78/35/21/663783521.db2.gz GDTOPVPXLINUSC-NXEZZACHSA-N -1 3 397.248 2.719 20 10 GFCDHM Cc1csc([C@@](O)(CC(=O)NCc2c([O-])cccc2F)C(F)(F)F)n1 ZINC000928712654 664737743 /nfs/dbraw/zinc/73/77/43/664737743.db2.gz VIGLNRPFCZFFRV-AWEZNQCLSA-N -1 3 378.347 2.753 20 10 GFCDHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000029047790 551125652 /nfs/dbraw/zinc/12/56/52/551125652.db2.gz JESXMLQLSVUPSK-UHFFFAOYSA-N -1 3 384.479 2.648 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)c1cnn(CC)c1 ZINC000123906861 551310007 /nfs/dbraw/zinc/31/00/07/551310007.db2.gz CUSNFOBMVNDISA-UHFFFAOYSA-N -1 3 388.287 2.582 20 10 GFCDHM CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000136980008 551390389 /nfs/dbraw/zinc/39/03/89/551390389.db2.gz VVEOVVRUDIDJJH-CYBMUJFWSA-N -1 3 382.507 2.559 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1[O-] ZINC000369549017 563216992 /nfs/dbraw/zinc/21/69/92/563216992.db2.gz XAVLLNRMCIEXJC-KRWDZBQOSA-N -1 3 386.286 2.933 20 10 GFCDHM CCCCN(Cc1ccccc1O)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000282572502 563415999 /nfs/dbraw/zinc/41/59/99/563415999.db2.gz VIQDCNIQMQZVHG-UHFFFAOYSA-N -1 3 382.507 2.561 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000290316229 563704920 /nfs/dbraw/zinc/70/49/20/563704920.db2.gz KKOMQYQPAKKVJO-XNRPHZJLSA-N -1 3 384.270 2.555 20 10 GFCDHM C[C@H]1C[C@@H](c2ccsc2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000364638178 563759903 /nfs/dbraw/zinc/75/99/03/563759903.db2.gz MEWXCPLYYGLRLT-WCQYABFASA-N -1 3 380.491 2.843 20 10 GFCDHM C[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000368211635 563866361 /nfs/dbraw/zinc/86/63/61/563866361.db2.gz IAJQAPYBUDYYPE-IAQYHMDHSA-N -1 3 383.286 2.585 20 10 GFCDHM CCN(CC)c1ccc(CN(C)CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC000736531396 599100092 /nfs/dbraw/zinc/10/00/92/599100092.db2.gz GJWOMKBREHKMKY-UHFFFAOYSA-N -1 3 399.524 2.845 20 10 GFCDHM CCN(CC)c1ccc(CN(C)CC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC000736531396 599100094 /nfs/dbraw/zinc/10/00/94/599100094.db2.gz GJWOMKBREHKMKY-UHFFFAOYSA-N -1 3 399.524 2.845 20 10 GFCDHM OCC1CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)cc3F)cc2)CC1 ZINC000738392674 598240074 /nfs/dbraw/zinc/24/00/74/598240074.db2.gz GHRCXECVQSKSIV-UHFFFAOYSA-N -1 3 382.443 2.827 20 10 GFCDHM Cc1noc([C@@H](C)OC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000737538959 598623637 /nfs/dbraw/zinc/62/36/37/598623637.db2.gz RKHBOQQXOOIDLV-GFCCVEGCSA-N -1 3 393.407 2.884 20 10 GFCDHM COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821838321 599486958 /nfs/dbraw/zinc/48/69/58/599486958.db2.gz LCUOICJHTXAKRT-RYUDHWBXSA-N -1 3 382.424 2.702 20 10 GFCDHM COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821838321 599486960 /nfs/dbraw/zinc/48/69/60/599486960.db2.gz LCUOICJHTXAKRT-RYUDHWBXSA-N -1 3 382.424 2.702 20 10 GFCDHM CCN(CC(C)(C)O)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821169901 606153440 /nfs/dbraw/zinc/15/34/40/606153440.db2.gz IBUQEEOYYVOSEX-UHFFFAOYSA-N -1 3 382.468 2.507 20 10 GFCDHM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cc(-c2nnn[n-]2)cs1 ZINC000823289083 606548550 /nfs/dbraw/zinc/54/85/50/606548550.db2.gz ATBLMMQGAVOUEW-UHFFFAOYSA-N -1 3 388.416 2.890 20 10 GFCDHM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1cc(-c2nn[n-]n2)cs1 ZINC000823289083 606548552 /nfs/dbraw/zinc/54/85/52/606548552.db2.gz ATBLMMQGAVOUEW-UHFFFAOYSA-N -1 3 388.416 2.890 20 10 GFCDHM Cc1cc(C(=O)NC2(C)CCOCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258258 607776113 /nfs/dbraw/zinc/77/61/13/607776113.db2.gz FPQJJDSUUSKAPS-UHFFFAOYSA-N -1 3 380.452 2.573 20 10 GFCDHM CCCCN(CCCO)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825281629 608565870 /nfs/dbraw/zinc/56/58/70/608565870.db2.gz HTOWFHVTTBTRAP-UHFFFAOYSA-N -1 3 396.495 2.899 20 10 GFCDHM COc1cc(O)c(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1OC ZINC000826180871 609491345 /nfs/dbraw/zinc/49/13/45/609491345.db2.gz AQTBDILYSDDOAK-UHFFFAOYSA-N -1 3 385.424 2.989 20 10 GFCDHM COc1cc(O)c(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1OC ZINC000826180871 609491347 /nfs/dbraw/zinc/49/13/47/609491347.db2.gz AQTBDILYSDDOAK-UHFFFAOYSA-N -1 3 385.424 2.989 20 10 GFCDHM COc1ccnc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)c1 ZINC000824710537 660399558 /nfs/dbraw/zinc/39/95/58/660399558.db2.gz VYOYTHBASSYWEV-UHFFFAOYSA-N -1 3 378.270 2.881 20 10 GFCDHM Cn1cc(I)c(CNCc2c([O-])cccc2Cl)n1 ZINC000825078944 660409901 /nfs/dbraw/zinc/40/99/01/660409901.db2.gz HBSVMRCQSABVGV-UHFFFAOYSA-N -1 3 377.613 2.674 20 10 GFCDHM CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000830674117 660672893 /nfs/dbraw/zinc/67/28/93/660672893.db2.gz KIYHRJLAPLWAGU-OAHLLOKOSA-N -1 3 378.778 2.749 20 10 GFCDHM Cc1ccc(C[C@H](CO)CNC(=O)c2cccc(O)c2[O-])cc1Br ZINC000836992605 660962996 /nfs/dbraw/zinc/96/29/96/660962996.db2.gz NXXHOFOPNKANSY-ZDUSSCGKSA-N -1 3 394.265 2.750 20 10 GFCDHM O=S(=O)([N-]c1ccc(NS(=O)(=O)C2CC2)cc1)c1ccc(F)c(F)c1 ZINC000727352834 655544382 /nfs/dbraw/zinc/54/43/82/655544382.db2.gz MHPDMKZWRCUBNT-UHFFFAOYSA-N -1 3 388.417 2.670 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])c1nc2c(cnn2C)c(=O)[nH]1 ZINC000771242852 656344159 /nfs/dbraw/zinc/34/41/59/656344159.db2.gz IFIZNQUEQBNEBO-UHFFFAOYSA-N -1 3 378.230 2.564 20 10 GFCDHM O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cccc(O)c1[O-] ZINC000791091152 658059478 /nfs/dbraw/zinc/05/94/78/658059478.db2.gz XPSRVGKCHNTKLB-UHFFFAOYSA-N -1 3 390.193 2.840 20 10 GFCDHM CC(C)(COc1ncccc1Br)NC(=O)c1cccc(O)c1[O-] ZINC000846654360 661561063 /nfs/dbraw/zinc/56/10/63/661561063.db2.gz IBQDRTWGQVUZRE-UHFFFAOYSA-N -1 3 381.226 2.843 20 10 GFCDHM CCOC(=O)[C@H](Cc1ccccn1)NCc1c([O-])cccc1Br ZINC000862345855 662281595 /nfs/dbraw/zinc/28/15/95/662281595.db2.gz GBKFIGXKCVHRSB-HNNXBMFYSA-N -1 3 379.254 2.814 20 10 GFCDHM [O-]c1c(Br)cccc1CN1CCc2nc[nH]c2C12CCOCC2 ZINC000895070290 663497755 /nfs/dbraw/zinc/49/77/55/663497755.db2.gz DOCSVFPBTVYTHE-UHFFFAOYSA-N -1 3 378.270 2.942 20 10 GFCDHM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000180647402 552232458 /nfs/dbraw/zinc/23/24/58/552232458.db2.gz QJZMBNVEWDAXMR-WBMJQRKESA-N -1 3 380.286 2.834 20 10 GFCDHM C[C@H]1C[C@H](c2cccs2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000371765730 563287359 /nfs/dbraw/zinc/28/73/59/563287359.db2.gz MQUJLHIEBFOQPS-RYUDHWBXSA-N -1 3 380.491 2.843 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](c1cncn1C)N(C)C ZINC000281118612 563367144 /nfs/dbraw/zinc/36/71/44/563367144.db2.gz XJQPPKXBTDOLQW-INIZCTEOSA-N -1 3 395.301 2.540 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@H]1CCCCC(=O)N1 ZINC000366966626 563826239 /nfs/dbraw/zinc/82/62/39/563826239.db2.gz PSBSLLOPZLBLOJ-CQSZACIVSA-N -1 3 383.286 2.952 20 10 GFCDHM CC[C@@H]1COCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736408866 599036778 /nfs/dbraw/zinc/03/67/78/599036778.db2.gz VUBOUHRJNUYUHD-MRXNPFEDSA-N -1 3 380.452 2.525 20 10 GFCDHM COc1ccc(N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(OC)c1 ZINC000826209235 607753801 /nfs/dbraw/zinc/75/38/01/607753801.db2.gz SKIOKJFSMPEUKD-UHFFFAOYSA-N -1 3 393.407 2.570 20 10 GFCDHM COc1ccc(N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(OC)c1 ZINC000826209235 607753802 /nfs/dbraw/zinc/75/38/02/607753802.db2.gz SKIOKJFSMPEUKD-UHFFFAOYSA-N -1 3 393.407 2.570 20 10 GFCDHM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(N2CCOCC2)c(F)c1 ZINC000834161529 605610090 /nfs/dbraw/zinc/61/00/90/605610090.db2.gz ALOQIIZTQVSCJM-ALOPSCKCSA-N -1 3 377.460 2.815 20 10 GFCDHM CCN(CC)c1ccc(CN(C)C(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821197410 606496638 /nfs/dbraw/zinc/49/66/38/606496638.db2.gz KOAPICFCGOPVFA-UHFFFAOYSA-N -1 3 378.480 2.914 20 10 GFCDHM CCN(CC)c1ccc(CN(C)C(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821197410 606496640 /nfs/dbraw/zinc/49/66/40/606496640.db2.gz KOAPICFCGOPVFA-UHFFFAOYSA-N -1 3 378.480 2.914 20 10 GFCDHM COC[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821685117 606581312 /nfs/dbraw/zinc/58/13/12/606581312.db2.gz UUEVVKHDNGYUQC-KRWDZBQOSA-N -1 3 380.452 2.525 20 10 GFCDHM COc1cc(N(C)CCCOc2cccc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000821720705 606904191 /nfs/dbraw/zinc/90/41/91/606904191.db2.gz WGUPASBLQPOPEC-UHFFFAOYSA-N -1 3 399.451 2.798 20 10 GFCDHM COc1cc(N(C)CCCOc2cccc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000821720705 606904193 /nfs/dbraw/zinc/90/41/93/606904193.db2.gz WGUPASBLQPOPEC-UHFFFAOYSA-N -1 3 399.451 2.798 20 10 GFCDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000825880206 607849441 /nfs/dbraw/zinc/84/94/41/607849441.db2.gz YIBWPCWNOGCAKH-SFHVURJKSA-N -1 3 379.468 2.513 20 10 GFCDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000825880206 607849442 /nfs/dbraw/zinc/84/94/42/607849442.db2.gz YIBWPCWNOGCAKH-SFHVURJKSA-N -1 3 379.468 2.513 20 10 GFCDHM CC[C@@H](C[C@H](C)CO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825081117 607994237 /nfs/dbraw/zinc/99/42/37/607994237.db2.gz GJVIKSDOJHQNMR-GUYCJALGSA-N -1 3 396.495 2.801 20 10 GFCDHM COc1ccc2c(c1)CCCCN2CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826213302 608259341 /nfs/dbraw/zinc/25/93/41/608259341.db2.gz SIRLVWIUAXWRSO-UHFFFAOYSA-N -1 3 378.436 2.657 20 10 GFCDHM COc1ccc2c(c1)CCCCN2CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826213302 608259342 /nfs/dbraw/zinc/25/93/42/608259342.db2.gz SIRLVWIUAXWRSO-UHFFFAOYSA-N -1 3 378.436 2.657 20 10 GFCDHM O=S(=O)([N-]Cc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1F ZINC000056102003 654788470 /nfs/dbraw/zinc/78/84/70/654788470.db2.gz DCDGBLHNZQRCEZ-UHFFFAOYSA-N -1 3 384.473 2.997 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000131624137 654911618 /nfs/dbraw/zinc/91/16/18/654911618.db2.gz JAMJEUVGRDDWCU-DZGCQCFKSA-N -1 3 380.853 2.703 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000744427151 655740073 /nfs/dbraw/zinc/74/00/73/655740073.db2.gz ZZGKYRMMIBTAEU-UHFFFAOYSA-N -1 3 392.257 2.559 20 10 GFCDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CCSCC3)cc2)s1 ZINC000763578972 656086745 /nfs/dbraw/zinc/08/67/45/656086745.db2.gz SALMNTHRBOYAGV-UHFFFAOYSA-N -1 3 383.564 2.737 20 10 GFCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1 ZINC000780367082 657001345 /nfs/dbraw/zinc/00/13/45/657001345.db2.gz LZHUZWCSVKKRIU-UHFFFAOYSA-N -1 3 376.406 2.797 20 10 GFCDHM Cc1cc(Br)cn2cc(CCNC(=O)c3cccc(O)c3[O-])nc12 ZINC000790931277 658046313 /nfs/dbraw/zinc/04/63/13/658046313.db2.gz FSEUMPHGAAUKLB-UHFFFAOYSA-N -1 3 390.237 2.789 20 10 GFCDHM CCN(Cc1cc(Br)cc(Br)c1[O-])[C@H]1CCNC1=O ZINC000799737878 659219263 /nfs/dbraw/zinc/21/92/63/659219263.db2.gz PMHOLOVEZGRWRW-NSHDSACASA-N -1 3 392.091 2.628 20 10 GFCDHM C[C@@H]1CN(CCCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000804901492 659692360 /nfs/dbraw/zinc/69/23/60/659692360.db2.gz HKKZACYZXVMIEQ-TXEJJXNPSA-N -1 3 390.311 2.998 20 10 GFCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000808072487 659875698 /nfs/dbraw/zinc/87/56/98/659875698.db2.gz IJDSNKWZVDFEJT-UHFFFAOYSA-N -1 3 376.406 2.797 20 10 GFCDHM O=S(=O)([N-]Cc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)s1 ZINC000851844473 661838222 /nfs/dbraw/zinc/83/82/22/661838222.db2.gz WFPYHCWUIBCUMG-UHFFFAOYSA-N -1 3 386.926 2.841 20 10 GFCDHM CS(=O)(=O)CC[C@H]1CCCCN1Cc1c([O-])cccc1Br ZINC000862374395 662283756 /nfs/dbraw/zinc/28/37/56/662283756.db2.gz LGMQVMUOCBRODB-GFCCVEGCSA-N -1 3 376.316 2.944 20 10 GFCDHM CCCN(Cc1cc(Br)cc(F)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000893890639 663430217 /nfs/dbraw/zinc/43/02/17/663430217.db2.gz CROQWLYGVUDKCW-LBPRGKRZSA-N -1 3 380.279 2.693 20 10 GFCDHM C[C@@H]1CCNC(=O)[C@@H]1NCc1cc(Br)cc(Br)c1[O-] ZINC000195007346 553035825 /nfs/dbraw/zinc/03/58/25/553035825.db2.gz SYLSRAPWRRMZFY-RDDDGLTNSA-N -1 3 392.091 2.531 20 10 GFCDHM COc1cc(Br)cc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1[O-] ZINC000247218476 553120184 /nfs/dbraw/zinc/12/01/84/553120184.db2.gz VVMIXAPDNSAMMI-SOUVJXGZSA-N -1 3 386.286 2.932 20 10 GFCDHM O=C(NC1CCN(Cc2cc(Br)ccc2[O-])CC1)c1ccc[nH]1 ZINC000371420652 563276760 /nfs/dbraw/zinc/27/67/60/563276760.db2.gz BNAFPXMHXHERSY-UHFFFAOYSA-N -1 3 378.270 2.877 20 10 GFCDHM C[C@@]1(c2cccs2)C[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000371606051 563283264 /nfs/dbraw/zinc/28/32/64/563283264.db2.gz SYYVGCRQVBSUCV-APPDUMDISA-N -1 3 380.491 2.533 20 10 GFCDHM C[C@H]1C[C@@H](c2cccs2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000371765729 563287258 /nfs/dbraw/zinc/28/72/58/563287258.db2.gz MQUJLHIEBFOQPS-NWDGAFQWSA-N -1 3 380.491 2.843 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCC(=O)c1cnn(C)c1 ZINC000280050501 563320187 /nfs/dbraw/zinc/32/01/87/563320187.db2.gz WFSPSPWRGQWMNA-UHFFFAOYSA-N -1 3 394.269 2.900 20 10 GFCDHM CCS(=O)(=O)c1ccc(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])s1 ZINC000280299708 563330793 /nfs/dbraw/zinc/33/07/93/563330793.db2.gz ZUSILDIKKVLLEG-NSHDSACASA-N -1 3 383.491 2.885 20 10 GFCDHM CCc1noc([C@H]2C[C@H](O)CN2Cc2cc(Br)cc(C)c2[O-])n1 ZINC000373482004 563339890 /nfs/dbraw/zinc/33/98/90/563339890.db2.gz GJFRJONRLASDTA-QWHCGFSZSA-N -1 3 382.258 2.716 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC000283369743 563443210 /nfs/dbraw/zinc/44/32/10/563443210.db2.gz JKGTWVAKOJTCQS-ZDUSSCGKSA-N -1 3 386.290 2.586 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000378095803 563496487 /nfs/dbraw/zinc/49/64/87/563496487.db2.gz CHXVYVDTPFSTHT-CQSZACIVSA-N -1 3 393.285 2.967 20 10 GFCDHM Cc1cc(C(=O)Nc2ccnc3ccnn32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737237666 599240091 /nfs/dbraw/zinc/24/00/91/599240091.db2.gz BRVSVMOBWBDKSZ-UHFFFAOYSA-N -1 3 399.418 2.569 20 10 GFCDHM Cc1cc(C(=O)NCCCOCC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236337 598611043 /nfs/dbraw/zinc/61/10/43/598611043.db2.gz IVMQKZPCWMOBNE-UHFFFAOYSA-N -1 3 394.479 2.821 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822205954 599485173 /nfs/dbraw/zinc/48/51/73/599485173.db2.gz OOKHSIROYRIZPA-CQSZACIVSA-N -1 3 379.468 2.802 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822205954 599485174 /nfs/dbraw/zinc/48/51/74/599485174.db2.gz OOKHSIROYRIZPA-CQSZACIVSA-N -1 3 379.468 2.802 20 10 GFCDHM OC1CCN(c2ccc(CNc3ccc(F)cc3-c3nnn[n-]3)cc2F)CC1 ZINC000823707274 599487393 /nfs/dbraw/zinc/48/73/93/599487393.db2.gz YHQQMSCPTBFLJN-UHFFFAOYSA-N -1 3 386.406 2.718 20 10 GFCDHM OC1CCN(c2ccc(CNc3ccc(F)cc3-c3nn[n-]n3)cc2F)CC1 ZINC000823707274 599487395 /nfs/dbraw/zinc/48/73/95/599487395.db2.gz YHQQMSCPTBFLJN-UHFFFAOYSA-N -1 3 386.406 2.718 20 10 GFCDHM CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825880032 607693898 /nfs/dbraw/zinc/69/38/98/607693898.db2.gz UXZPWMVOJNZGSX-UHFFFAOYSA-N -1 3 391.435 2.696 20 10 GFCDHM CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000825880032 607693899 /nfs/dbraw/zinc/69/38/99/607693899.db2.gz UXZPWMVOJNZGSX-UHFFFAOYSA-N -1 3 391.435 2.696 20 10 GFCDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCSc1nccs1 ZINC000821611928 607097164 /nfs/dbraw/zinc/09/71/64/607097164.db2.gz AYNFVIZDXQQKDO-UHFFFAOYSA-N -1 3 389.510 2.647 20 10 GFCDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCSc1nccs1 ZINC000821611928 607097166 /nfs/dbraw/zinc/09/71/66/607097166.db2.gz AYNFVIZDXQQKDO-UHFFFAOYSA-N -1 3 389.510 2.647 20 10 GFCDHM Cc1cc(C(=O)OCc2nccc(C)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826308505 607914644 /nfs/dbraw/zinc/91/46/44/607914644.db2.gz CIEMBQMNRSAMJY-UHFFFAOYSA-N -1 3 389.419 2.730 20 10 GFCDHM C[C@@H]1CN(c2ccc(CNc3cnccc3-c3nnn[n-]3)cc2F)C[C@H](C)O1 ZINC000824991845 608774608 /nfs/dbraw/zinc/77/46/08/608774608.db2.gz HQLGTXFXGSDFRP-BETUJISGSA-N -1 3 383.431 2.627 20 10 GFCDHM C[C@@H]1CN(c2ccc(CNc3cnccc3-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000824991845 608774611 /nfs/dbraw/zinc/77/46/11/608774611.db2.gz HQLGTXFXGSDFRP-BETUJISGSA-N -1 3 383.431 2.627 20 10 GFCDHM c1[nH]c2ncccc2c1C1=CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000823867797 609458434 /nfs/dbraw/zinc/45/84/34/609458434.db2.gz IMRSSNFQFUODQC-UHFFFAOYSA-N -1 3 383.419 2.684 20 10 GFCDHM c1[nH]c2ncccc2c1C1=CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000823867797 609458437 /nfs/dbraw/zinc/45/84/37/609458437.db2.gz IMRSSNFQFUODQC-UHFFFAOYSA-N -1 3 383.419 2.684 20 10 GFCDHM CCc1nsc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)n1 ZINC000824855884 660403558 /nfs/dbraw/zinc/40/35/58/660403558.db2.gz ROFIDCKEDDOHIG-UHFFFAOYSA-N -1 3 383.315 2.891 20 10 GFCDHM Cc1cc([O-])c(CN(CC(F)F)C2CCN(S(C)(=O)=O)CC2)cc1Cl ZINC000825789682 660442416 /nfs/dbraw/zinc/44/24/16/660442416.db2.gz UAUKJTCILJFLJT-UHFFFAOYSA-N -1 3 396.887 2.845 20 10 GFCDHM CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000830674115 660672791 /nfs/dbraw/zinc/67/27/91/660672791.db2.gz KIYHRJLAPLWAGU-HNNXBMFYSA-N -1 3 378.778 2.749 20 10 GFCDHM CCN(CC(=O)Nc1c(C)nn(C)c1C)Cc1cc(Br)ccc1[O-] ZINC000743871252 655732431 /nfs/dbraw/zinc/73/24/31/655732431.db2.gz YWAGFCPMLVXZHI-UHFFFAOYSA-N -1 3 395.301 2.966 20 10 GFCDHM Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cccc(O)c1[O-] ZINC000790626845 658004283 /nfs/dbraw/zinc/00/42/83/658004283.db2.gz MNSJZRUJWVDRKS-UHFFFAOYSA-N -1 3 393.237 2.927 20 10 GFCDHM CSCc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000804702346 659669826 /nfs/dbraw/zinc/66/98/26/659669826.db2.gz YXRPABYWBJJUBC-UHFFFAOYSA-N -1 3 380.491 2.557 20 10 GFCDHM O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816569361 660161346 /nfs/dbraw/zinc/16/13/46/660161346.db2.gz IWHKWBMXMPOCIE-UHFFFAOYSA-N -1 3 388.804 2.656 20 10 GFCDHM COc1ncc(Br)cc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000862484382 662288766 /nfs/dbraw/zinc/28/87/66/662288766.db2.gz MPEDBYINQUDIBM-UHFFFAOYSA-N -1 3 398.213 2.765 20 10 GFCDHM COC(=O)CN(Cc1nc(Br)c[nH]1)Cc1cc(Cl)ccc1[O-] ZINC000891992332 663357801 /nfs/dbraw/zinc/35/78/01/663357801.db2.gz JKFJYNUCBXGCHA-UHFFFAOYSA-N -1 3 388.649 2.706 20 10 GFCDHM CN(C)[S@@](C)(=O)=NCC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000898400116 663648707 /nfs/dbraw/zinc/64/87/07/663648707.db2.gz WRPJWHGTXITYMD-DEOSSOPVSA-N -1 3 377.913 2.971 20 10 GFCDHM COc1cc(Cl)cc(CN2CCn3c(CC(F)(F)F)nnc3C2)c1[O-] ZINC000373261933 563333295 /nfs/dbraw/zinc/33/32/95/563333295.db2.gz RWBJYJGUHRMWDJ-UHFFFAOYSA-N -1 3 376.766 2.766 20 10 GFCDHM CCc1csc(CC(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2[O-])n1 ZINC000283757299 563453416 /nfs/dbraw/zinc/45/34/16/563453416.db2.gz JMUDAIYCNUFKQB-UHFFFAOYSA-N -1 3 382.869 2.809 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCCC(F)(F)C2)c1 ZINC000293714216 563822521 /nfs/dbraw/zinc/82/25/21/563822521.db2.gz RWVGFHMJRCFQOZ-NSHDSACASA-N -1 3 376.425 2.709 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@@H]1CCCCNC1=O ZINC000366967172 563825948 /nfs/dbraw/zinc/82/59/48/563825948.db2.gz VDTSPWPQCNLXOE-LBPRGKRZSA-N -1 3 383.286 2.810 20 10 GFCDHM O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738102771 599023341 /nfs/dbraw/zinc/02/33/41/599023341.db2.gz CVPDMFHMZYSEMQ-UHFFFAOYSA-N -1 3 379.399 2.704 20 10 GFCDHM O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738102771 599023343 /nfs/dbraw/zinc/02/33/43/599023343.db2.gz CVPDMFHMZYSEMQ-UHFFFAOYSA-N -1 3 379.399 2.704 20 10 GFCDHM COc1ccc(N(CC(=O)Nc2sccc2-c2nnn[n-]2)C(C)C)cc1F ZINC000737098931 598259447 /nfs/dbraw/zinc/25/94/47/598259447.db2.gz HXQBDDSIWJNYKK-UHFFFAOYSA-N -1 3 390.444 2.929 20 10 GFCDHM COc1ccc(N(CC(=O)Nc2sccc2-c2nn[n-]n2)C(C)C)cc1F ZINC000737098931 598259449 /nfs/dbraw/zinc/25/94/49/598259449.db2.gz HXQBDDSIWJNYKK-UHFFFAOYSA-N -1 3 390.444 2.929 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736532970 598319293 /nfs/dbraw/zinc/31/92/93/598319293.db2.gz WPQYZCWOBUESMG-UHFFFAOYSA-N -1 3 397.458 2.851 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736532970 598319295 /nfs/dbraw/zinc/31/92/95/598319295.db2.gz WPQYZCWOBUESMG-UHFFFAOYSA-N -1 3 397.458 2.851 20 10 GFCDHM Cc1cc(CCNC(=O)c2ccc(-c3nnn[n-]3)cn2)c(C)n1-c1ccccc1 ZINC000737263290 598458542 /nfs/dbraw/zinc/45/85/42/598458542.db2.gz SEIGXBUVQRBATP-UHFFFAOYSA-N -1 3 387.447 2.642 20 10 GFCDHM Cc1cc(CCNC(=O)c2ccc(-c3nn[n-]n3)cn2)c(C)n1-c1ccccc1 ZINC000737263290 598458543 /nfs/dbraw/zinc/45/85/43/598458543.db2.gz SEIGXBUVQRBATP-UHFFFAOYSA-N -1 3 387.447 2.642 20 10 GFCDHM c1ccn2c(c1)nc(NCc1ccc(N3CCSCC3)cc1)c2-c1nnn[n-]1 ZINC000738445933 598567338 /nfs/dbraw/zinc/56/73/38/598567338.db2.gz PMGMNIXEZXYZDH-UHFFFAOYSA-N -1 3 392.492 2.680 20 10 GFCDHM c1ccn2c(c1)nc(NCc1ccc(N3CCSCC3)cc1)c2-c1nn[n-]n1 ZINC000738445933 598567339 /nfs/dbraw/zinc/56/73/39/598567339.db2.gz PMGMNIXEZXYZDH-UHFFFAOYSA-N -1 3 392.492 2.680 20 10 GFCDHM COc1ncccc1NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737163719 598609980 /nfs/dbraw/zinc/60/99/80/598609980.db2.gz YWPTWWAFAULUIL-UHFFFAOYSA-N -1 3 389.419 2.930 20 10 GFCDHM Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233318 598610448 /nfs/dbraw/zinc/61/04/48/598610448.db2.gz ISWPTPDTJQXGSE-UGSOOPFHSA-N -1 3 380.452 2.572 20 10 GFCDHM Cc1cc(O)c(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cc1C ZINC000822210500 599460977 /nfs/dbraw/zinc/46/09/77/599460977.db2.gz FESGWDPZWZNLTH-UHFFFAOYSA-N -1 3 394.479 2.762 20 10 GFCDHM Cc1cc(O)c(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)cc1C ZINC000822210500 599460980 /nfs/dbraw/zinc/46/09/80/599460980.db2.gz FESGWDPZWZNLTH-UHFFFAOYSA-N -1 3 394.479 2.762 20 10 GFCDHM Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257685 607629568 /nfs/dbraw/zinc/62/95/68/607629568.db2.gz LPJMTKXDOHZCHZ-DOTOQJQBSA-N -1 3 394.479 2.507 20 10 GFCDHM CCc1nnc(NCc2ccc(N3CCCC3)cc2)c(-c2nnn[n-]2)c1CC ZINC000821541891 606920979 /nfs/dbraw/zinc/92/09/79/606920979.db2.gz CAMGKYOVCLAPFP-UHFFFAOYSA-N -1 3 378.484 2.994 20 10 GFCDHM CCc1nnc(NCc2ccc(N3CCCC3)cc2)c(-c2nn[n-]n2)c1CC ZINC000821541891 606920980 /nfs/dbraw/zinc/92/09/80/606920980.db2.gz CAMGKYOVCLAPFP-UHFFFAOYSA-N -1 3 378.484 2.994 20 10 GFCDHM c1cc(N2CCOCC2)ccc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826516909 607840715 /nfs/dbraw/zinc/84/07/15/607840715.db2.gz HTYQESGCJPBYHE-UHFFFAOYSA-N -1 3 387.447 2.864 20 10 GFCDHM c1cc(N2CCOCC2)ccc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826516909 607840716 /nfs/dbraw/zinc/84/07/16/607840716.db2.gz HTYQESGCJPBYHE-UHFFFAOYSA-N -1 3 387.447 2.864 20 10 GFCDHM Cc1cc(C(=O)N(C)C[C@H]2CCC[C@@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257372 607862919 /nfs/dbraw/zinc/86/29/19/607862919.db2.gz ZQPVKYUKKWCKHF-APWZRJJASA-N -1 3 394.479 2.507 20 10 GFCDHM CC[C@@]1(C)COCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825165118 608201148 /nfs/dbraw/zinc/20/11/48/608201148.db2.gz SWLROUQZDKIMKB-NRFANRHFSA-N -1 3 394.479 2.915 20 10 GFCDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000790892190 658040675 /nfs/dbraw/zinc/04/06/75/658040675.db2.gz VZQYMWFSHPPCIC-UHFFFAOYSA-N -1 3 391.265 2.818 20 10 GFCDHM O=C(c1cccc(O)c1[O-])N1CCN(c2cccc(Br)c2)CC1 ZINC000803676330 659596095 /nfs/dbraw/zinc/59/60/95/659596095.db2.gz DVRFDZKFMAHGCC-UHFFFAOYSA-N -1 3 377.238 2.823 20 10 GFCDHM Cn1cc(Cl)c(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000860241888 662193440 /nfs/dbraw/zinc/19/34/40/662193440.db2.gz MZFHDWCPJHIPGF-ZDUSSCGKSA-N -1 3 383.279 2.827 20 10 GFCDHM O=[N+]([O-])c1ccc(N2CCN(Cc3c([O-])cccc3Br)CC2)cn1 ZINC000862220093 662274407 /nfs/dbraw/zinc/27/44/07/662274407.db2.gz JWMDJMUIMRWYGF-UHFFFAOYSA-N -1 3 393.241 2.780 20 10 GFCDHM Cc1cc(C(=O)N2CCN(Cc3c([O-])cccc3Br)[C@H](C)C2)[nH]n1 ZINC000862388368 662284360 /nfs/dbraw/zinc/28/43/60/662284360.db2.gz APEYOTRPRXFGPE-GFCCVEGCSA-N -1 3 393.285 2.533 20 10 GFCDHM Cc1cc(C(=O)N2CCN(Cc3c([O-])cccc3Br)[C@H](C)C2)n[nH]1 ZINC000862388368 662284365 /nfs/dbraw/zinc/28/43/65/662284365.db2.gz APEYOTRPRXFGPE-GFCCVEGCSA-N -1 3 393.285 2.533 20 10 GFCDHM Cn1nccc1[C@@H](O)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895378183 663510839 /nfs/dbraw/zinc/51/08/39/663510839.db2.gz QGPOZVXDLVSSPD-KRWDZBQOSA-N -1 3 398.276 2.973 20 10 GFCDHM C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Br)cc(F)c1[O-] ZINC000903395693 663783737 /nfs/dbraw/zinc/78/37/37/663783737.db2.gz JFDOXLZCSZMXBH-MWLCHTKSSA-N -1 3 397.248 2.719 20 10 GFCDHM O=C(NCc1cccc(Br)c1[O-])C1CCC(N2CCOCC2)CC1 ZINC000907758992 664059648 /nfs/dbraw/zinc/05/96/48/664059648.db2.gz WSIUVDFJQGGSAI-UHFFFAOYSA-N -1 3 397.313 2.662 20 10 GFCDHM Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000180647422 552232313 /nfs/dbraw/zinc/23/23/13/552232313.db2.gz QJZMBNVEWDAXMR-BLLLJJGKSA-N -1 3 380.286 2.834 20 10 GFCDHM COc1cc(Br)cc(CN2CCC(C)(C)S(=O)(=O)CC2)c1[O-] ZINC000195200565 553040849 /nfs/dbraw/zinc/04/08/49/553040849.db2.gz YCWYOSCDMAIGPF-UHFFFAOYSA-N -1 3 392.315 2.562 20 10 GFCDHM COc1cc(Br)cc(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1[O-] ZINC000247218464 553120299 /nfs/dbraw/zinc/12/02/99/553120299.db2.gz VVMIXAPDNSAMMI-RRFJBIMHSA-N -1 3 386.286 2.932 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@H]1CCOC[C@H]1OC ZINC000294779828 563216787 /nfs/dbraw/zinc/21/67/87/563216787.db2.gz ADQSSHVIEZNSON-MLGOLLRUSA-N -1 3 386.286 2.945 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC000372033309 563294356 /nfs/dbraw/zinc/29/43/56/563294356.db2.gz MMERXRJPGXXUNR-QGZVFWFLSA-N -1 3 383.286 2.762 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC000372033308 563294465 /nfs/dbraw/zinc/29/44/65/563294465.db2.gz MMERXRJPGXXUNR-KRWDZBQOSA-N -1 3 383.286 2.762 20 10 GFCDHM CCn1cnnc1[C@@H]1CN([C@H](C)c2ccc(Br)cc2[O-])CCO1 ZINC000365122426 563774663 /nfs/dbraw/zinc/77/46/63/563774663.db2.gz LMCHURZJSZXDJY-ABAIWWIYSA-N -1 3 381.274 2.901 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737271404 599148054 /nfs/dbraw/zinc/14/80/54/599148054.db2.gz UZKZDECRZNCBFB-UHFFFAOYSA-N -1 3 379.468 2.583 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737271404 599148055 /nfs/dbraw/zinc/14/80/55/599148055.db2.gz UZKZDECRZNCBFB-UHFFFAOYSA-N -1 3 379.468 2.583 20 10 GFCDHM Cc1nsc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000822535429 599200042 /nfs/dbraw/zinc/20/00/42/599200042.db2.gz RCIYXMGOIJYDJZ-UHFFFAOYSA-N -1 3 380.437 2.686 20 10 GFCDHM COc1ccc(-c2nnn[n-]2)cc1NC(=S)NCCCN(C)c1ccccc1 ZINC000737062908 598324552 /nfs/dbraw/zinc/32/45/52/598324552.db2.gz UDGMSNQLDHHJBO-UHFFFAOYSA-N -1 3 397.508 2.688 20 10 GFCDHM COc1ccc(-c2nn[n-]n2)cc1NC(=S)NCCCN(C)c1ccccc1 ZINC000737062908 598324554 /nfs/dbraw/zinc/32/45/54/598324554.db2.gz UDGMSNQLDHHJBO-UHFFFAOYSA-N -1 3 397.508 2.688 20 10 GFCDHM COc1cccnc1NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737156495 598611554 /nfs/dbraw/zinc/61/15/54/598611554.db2.gz XLXMCYGBDVLYPL-UHFFFAOYSA-N -1 3 389.419 2.930 20 10 GFCDHM Cc1cc(C(=O)N(C)C[C@@H]2CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228060 598618825 /nfs/dbraw/zinc/61/88/25/598618825.db2.gz SXYWPKXICGTOMY-KRWDZBQOSA-N -1 3 380.452 2.525 20 10 GFCDHM CCCOC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821127552 599660202 /nfs/dbraw/zinc/66/02/02/599660202.db2.gz IQCJMJIQSDMZOU-AWEZNQCLSA-N -1 3 397.435 2.773 20 10 GFCDHM Cc1cc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)nn1C ZINC000826270893 607414260 /nfs/dbraw/zinc/41/42/60/607414260.db2.gz SPRHEQVNEKCTKV-UHFFFAOYSA-N -1 3 376.424 2.568 20 10 GFCDHM CC1CCN(c2ccc(CNC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000820726897 606554710 /nfs/dbraw/zinc/55/47/10/606554710.db2.gz CRMCLMBNQAAUOJ-UHFFFAOYSA-N -1 3 390.491 2.962 20 10 GFCDHM CC1CCN(c2ccc(CNC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000820726897 606554712 /nfs/dbraw/zinc/55/47/12/606554712.db2.gz CRMCLMBNQAAUOJ-UHFFFAOYSA-N -1 3 390.491 2.962 20 10 GFCDHM Cc1cc(C(=O)N(C)C[C@H]2CCC[C@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257375 607863098 /nfs/dbraw/zinc/86/30/98/607863098.db2.gz ZQPVKYUKKWCKHF-VQIMIIECSA-N -1 3 394.479 2.507 20 10 GFCDHM Cc1cc(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(C)n1-c1ccccc1 ZINC000826266555 609191025 /nfs/dbraw/zinc/19/10/25/609191025.db2.gz SOTOPWWRSZIZEV-UHFFFAOYSA-N -1 3 375.436 2.575 20 10 GFCDHM Cc1cc(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(C)n1-c1ccccc1 ZINC000826266555 609191026 /nfs/dbraw/zinc/19/10/26/609191026.db2.gz SOTOPWWRSZIZEV-UHFFFAOYSA-N -1 3 375.436 2.575 20 10 GFCDHM CN(c1ccc(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1)C1CCCCC1 ZINC000826004199 609202536 /nfs/dbraw/zinc/20/25/36/609202536.db2.gz NDQXAKHHJQRBML-UHFFFAOYSA-N -1 3 379.468 2.894 20 10 GFCDHM CN(c1ccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1)C1CCCCC1 ZINC000826004199 609202538 /nfs/dbraw/zinc/20/25/38/609202538.db2.gz NDQXAKHHJQRBML-UHFFFAOYSA-N -1 3 379.468 2.894 20 10 GFCDHM O=C(NCCCSc1nccs1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826436708 609292245 /nfs/dbraw/zinc/29/22/45/609292245.db2.gz FGTQLFUZIRXRMD-UHFFFAOYSA-N -1 3 380.886 2.889 20 10 GFCDHM O=C(NCCCSc1nccs1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826436708 609292247 /nfs/dbraw/zinc/29/22/47/609292247.db2.gz FGTQLFUZIRXRMD-UHFFFAOYSA-N -1 3 380.886 2.889 20 10 GFCDHM CS(=O)(=O)CC[C@@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC000825959163 660446525 /nfs/dbraw/zinc/44/65/25/660446525.db2.gz AYTXAADXHZMPSN-AWEZNQCLSA-N -1 3 376.316 2.944 20 10 GFCDHM CCN(Cc1csc(CC(=O)NC)n1)Cc1cc(Br)ccc1[O-] ZINC000177658842 655285286 /nfs/dbraw/zinc/28/52/86/655285286.db2.gz ZXSBKLPHIIMFDE-UHFFFAOYSA-N -1 3 398.326 2.922 20 10 GFCDHM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000762369597 656040053 /nfs/dbraw/zinc/04/00/53/656040053.db2.gz UMHYCVSYLMDWOX-UHFFFAOYSA-N -1 3 386.832 2.828 20 10 GFCDHM CN(Cc1cc(Cl)ccc1F)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000765638168 656146499 /nfs/dbraw/zinc/14/64/99/656146499.db2.gz WVWMMDZWUTZZCL-UHFFFAOYSA-N -1 3 386.832 2.828 20 10 GFCDHM O=C(NC[C@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000790609511 658002482 /nfs/dbraw/zinc/00/24/82/658002482.db2.gz LMYMTASJZFOQIV-HNNXBMFYSA-N -1 3 375.730 2.931 20 10 GFCDHM Cc1ccc(S(=O)(=O)NCCN(C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816515702 660159278 /nfs/dbraw/zinc/15/92/78/660159278.db2.gz ICTZHJSDWGJGEA-UHFFFAOYSA-N -1 3 386.876 2.903 20 10 GFCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(c2nnc3n2CCNC3)CC1 ZINC000843119018 661370145 /nfs/dbraw/zinc/37/01/45/661370145.db2.gz SSBACSUMKYYHSO-UHFFFAOYSA-N -1 3 382.295 2.773 20 10 GFCDHM [O-]c1cc(Br)ccc1CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856535477 662037069 /nfs/dbraw/zinc/03/70/69/662037069.db2.gz ABJZVCZCGGTVRV-JKSUJKDBSA-N -1 3 390.281 2.505 20 10 GFCDHM [O-]c1cc(Br)cnc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000892620507 663378999 /nfs/dbraw/zinc/37/89/99/663378999.db2.gz AZYWQBBEXCNPFB-UHFFFAOYSA-N -1 3 396.260 2.815 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC(=O)NCC(F)(F)F ZINC000182109417 552275795 /nfs/dbraw/zinc/27/57/95/552275795.db2.gz JEGOCWVDTYESHI-UHFFFAOYSA-N -1 3 397.191 2.572 20 10 GFCDHM COC(=O)c1cn(C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)nn1 ZINC000184756044 552343560 /nfs/dbraw/zinc/34/35/60/552343560.db2.gz MBVGOZYGEDVVCZ-UHFFFAOYSA-N -1 3 385.251 2.914 20 10 GFCDHM Cc1cc(N2CC[C@H](N[C@H](C)c3ccc(Br)cc3[O-])C2=O)n(C)n1 ZINC000186083617 552378970 /nfs/dbraw/zinc/37/89/70/552378970.db2.gz XGZVLGLIWKIQDN-RISCZKNCSA-N -1 3 393.285 2.653 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCC1([S@](C)=O)CC1 ZINC000281998954 563393921 /nfs/dbraw/zinc/39/39/21/563393921.db2.gz QCXBPHCWSXBGJT-QFIPXVFZSA-N -1 3 389.315 2.597 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000363577867 563727077 /nfs/dbraw/zinc/72/70/77/563727077.db2.gz URTCNUUJHSERJN-QXMXGUDHSA-N -1 3 396.281 2.745 20 10 GFCDHM CCN(C[C@H]1CCOC1)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736534280 598611508 /nfs/dbraw/zinc/61/15/08/598611508.db2.gz KLZGOONNHDWLAK-MRXNPFEDSA-N -1 3 394.479 2.773 20 10 GFCDHM CCc1nnc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)s1 ZINC000736710274 598611577 /nfs/dbraw/zinc/61/15/77/598611577.db2.gz GTPSZDHXSKKELX-UHFFFAOYSA-N -1 3 394.464 2.940 20 10 GFCDHM CCN(C[C@@H]1CCOC1)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736534279 598611606 /nfs/dbraw/zinc/61/16/06/598611606.db2.gz KLZGOONNHDWLAK-INIZCTEOSA-N -1 3 394.479 2.773 20 10 GFCDHM Cc1cc(C(=O)N(C)C[C@H]2CCCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227965 598611816 /nfs/dbraw/zinc/61/18/16/598611816.db2.gz RDLDVMGZAZLGBA-GOSISDBHSA-N -1 3 394.479 2.915 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821198393 599420151 /nfs/dbraw/zinc/42/01/51/599420151.db2.gz TXIMEPSCIWLGHR-UHFFFAOYSA-N -1 3 397.458 2.851 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821198393 599420153 /nfs/dbraw/zinc/42/01/53/599420153.db2.gz TXIMEPSCIWLGHR-UHFFFAOYSA-N -1 3 397.458 2.851 20 10 GFCDHM COc1cccc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1O ZINC000821868386 607426706 /nfs/dbraw/zinc/42/67/06/607426706.db2.gz QBUFJIMYVVUBGT-UHFFFAOYSA-N -1 3 398.423 2.690 20 10 GFCDHM COc1cccc(CNC(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1O ZINC000821868386 607426708 /nfs/dbraw/zinc/42/67/08/607426708.db2.gz QBUFJIMYVVUBGT-UHFFFAOYSA-N -1 3 398.423 2.690 20 10 GFCDHM C[C@H](c1ccccc1)[N@H+](CCc1cn(CC(=O)[O-])nn1)Cc1ccccc1[O-] ZINC000833549685 605078083 /nfs/dbraw/zinc/07/80/83/605078083.db2.gz RSZHYSRJWUNTRN-MRXNPFEDSA-N -1 3 380.448 2.874 20 10 GFCDHM C[C@H](c1ccccc1)[N@@H+](CCc1cn(CC(=O)[O-])nn1)Cc1ccccc1[O-] ZINC000833549685 605078089 /nfs/dbraw/zinc/07/80/89/605078089.db2.gz RSZHYSRJWUNTRN-MRXNPFEDSA-N -1 3 380.448 2.874 20 10 GFCDHM COc1ccc(O)c([C@@H](C)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000833733478 605127066 /nfs/dbraw/zinc/12/70/66/605127066.db2.gz INMYXDOAXPRGFZ-YGRLFVJLSA-N -1 3 376.434 2.617 20 10 GFCDHM CSCCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000821962659 606393917 /nfs/dbraw/zinc/39/39/17/606393917.db2.gz VEXHCCTVAGHEIU-YFHOEESVSA-N -1 3 383.549 2.883 20 10 GFCDHM Cc1cc(C(=O)N(C)CCOCC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167899 606695983 /nfs/dbraw/zinc/69/59/83/606695983.db2.gz JVPRLMVSIVCEFG-UHFFFAOYSA-N -1 3 394.479 2.773 20 10 GFCDHM Cc1cc(C(=O)N2CCOC[C@H]2C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258794 608040527 /nfs/dbraw/zinc/04/05/27/608040527.db2.gz XJSQRNDIXWRJNC-IBGZPJMESA-N -1 3 392.463 2.525 20 10 GFCDHM Cc1cc(C(=O)N2CCOC3(CCC3)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258725 608251306 /nfs/dbraw/zinc/25/13/06/608251306.db2.gz UICUJWGWWFUVPK-UHFFFAOYSA-N -1 3 392.463 2.669 20 10 GFCDHM COc1cccc(CNc2ccc(-c3nn[n-]n3)cc2Br)c1O ZINC000826215990 608377692 /nfs/dbraw/zinc/37/76/92/608377692.db2.gz GATYKMQSTBNMJZ-UHFFFAOYSA-N -1 3 376.214 2.956 20 10 GFCDHM [O-]c1c(Cl)cccc1C[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826511016 608582219 /nfs/dbraw/zinc/58/22/19/608582219.db2.gz XYFOTDDMCYHVES-UHFFFAOYSA-N -1 3 384.871 2.938 20 10 GFCDHM [O-]c1c(Cl)cccc1C[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826511016 608582220 /nfs/dbraw/zinc/58/22/20/608582220.db2.gz XYFOTDDMCYHVES-UHFFFAOYSA-N -1 3 384.871 2.938 20 10 GFCDHM [O-]c1c(Cl)cccc1C[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826511016 608582221 /nfs/dbraw/zinc/58/22/21/608582221.db2.gz XYFOTDDMCYHVES-UHFFFAOYSA-N -1 3 384.871 2.938 20 10 GFCDHM [O-]c1c(Cl)cccc1C[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826511016 608582222 /nfs/dbraw/zinc/58/22/22/608582222.db2.gz XYFOTDDMCYHVES-UHFFFAOYSA-N -1 3 384.871 2.938 20 10 GFCDHM Cc1cc(C(=O)N[C@@H]2CCO[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259644 608828939 /nfs/dbraw/zinc/82/89/39/608828939.db2.gz YVUXLNAVXWYDDH-XJKSGUPXSA-N -1 3 380.452 2.572 20 10 GFCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826401274 609469618 /nfs/dbraw/zinc/46/96/18/609469618.db2.gz UKJXUNGYNGFOBA-KRXBUXKQSA-N -1 3 389.415 2.607 20 10 GFCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826401274 609469621 /nfs/dbraw/zinc/46/96/21/609469621.db2.gz UKJXUNGYNGFOBA-KRXBUXKQSA-N -1 3 389.415 2.607 20 10 GFCDHM CCOC(=O)Nc1ccc(NCc2c(O)cccc2OC)cc1-c1nnn[n-]1 ZINC000825553385 609488296 /nfs/dbraw/zinc/48/82/96/609488296.db2.gz PLPLNWDXPPPNFX-UHFFFAOYSA-N -1 3 384.396 2.761 20 10 GFCDHM CCOC(=O)Nc1ccc(NCc2c(O)cccc2OC)cc1-c1nn[n-]n1 ZINC000825553385 609488297 /nfs/dbraw/zinc/48/82/97/609488297.db2.gz PLPLNWDXPPPNFX-UHFFFAOYSA-N -1 3 384.396 2.761 20 10 GFCDHM COc1ccc(N2CC[C@H](C[N-]S(=O)(=O)c3cccnc3Cl)C2)cc1 ZINC000819890721 660272473 /nfs/dbraw/zinc/27/24/73/660272473.db2.gz UOYCZTSCQZNCGP-CYBMUJFWSA-N -1 3 381.885 2.548 20 10 GFCDHM Cn1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(Cl)n1 ZINC000827095418 660478881 /nfs/dbraw/zinc/47/88/81/660478881.db2.gz FZYMITHMMBEFDR-ZDUSSCGKSA-N -1 3 383.279 2.827 20 10 GFCDHM O=C(c1ccccn1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000271073504 655065924 /nfs/dbraw/zinc/06/59/24/655065924.db2.gz POBSUMYZDPSTHY-UHFFFAOYSA-N -1 3 376.254 2.508 20 10 GFCDHM CCN(Cc1nnn(CC(F)(F)F)n1)Cc1cc(Br)ccc1[O-] ZINC000799303832 659177479 /nfs/dbraw/zinc/17/74/79/659177479.db2.gz NWSVLLLQOSWTOR-UHFFFAOYSA-N -1 3 394.195 2.726 20 10 GFCDHM CSc1cccc(F)c1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000804141608 659623746 /nfs/dbraw/zinc/62/37/46/659623746.db2.gz FRNRQDOTPWRVSB-UHFFFAOYSA-N -1 3 384.454 2.555 20 10 GFCDHM O=C(N[C@@]1(CO)CCc2cc(Br)ccc2C1)c1cccc(O)c1[O-] ZINC000862772873 662301417 /nfs/dbraw/zinc/30/14/17/662301417.db2.gz YTIPSVCZUIXLIK-SFHVURJKSA-N -1 3 392.249 2.510 20 10 GFCDHM C[C@H](N[C@H]1Cc2cc(Br)cnc2NC1=O)c1c([O-])cccc1F ZINC000903326766 663782167 /nfs/dbraw/zinc/78/21/67/663782167.db2.gz RZUMGXGDXPKNEM-UFBFGSQYSA-N -1 3 380.217 2.903 20 10 GFCDHM C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Br)cc(F)c1[O-] ZINC000903395694 663783717 /nfs/dbraw/zinc/78/37/17/663783717.db2.gz JFDOXLZCSZMXBH-ONGXEEELSA-N -1 3 397.248 2.719 20 10 GFCDHM C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Br)cc(F)c1[O-] ZINC000903395692 663783779 /nfs/dbraw/zinc/78/37/79/663783779.db2.gz JFDOXLZCSZMXBH-KOLCDFICSA-N -1 3 397.248 2.719 20 10 GFCDHM COc1cc(Cl)cc(CN2CCC(NC(=O)c3cc(C)on3)CC2)c1[O-] ZINC000359958365 209207729 /nfs/dbraw/zinc/20/77/29/209207729.db2.gz JMWBVLZLHOYGNY-UHFFFAOYSA-N -1 3 379.844 2.745 20 10 GFCDHM C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Br)cc1[O-] ZINC000186022026 552376637 /nfs/dbraw/zinc/37/66/37/552376637.db2.gz BYRVWURURZRTRW-GZMMTYOYSA-N -1 3 381.192 2.969 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@H]2c2cccs2)c1 ZINC000360828988 563695032 /nfs/dbraw/zinc/69/50/32/563695032.db2.gz MLQNLNZDFYMGJC-ZDUSSCGKSA-N -1 3 398.531 2.756 20 10 GFCDHM CCn1cnnc1[C@H]1CN([C@H](C)c2ccc(Br)cc2[O-])CCO1 ZINC000365122427 563774768 /nfs/dbraw/zinc/77/47/68/563774768.db2.gz LMCHURZJSZXDJY-IAQYHMDHSA-N -1 3 381.274 2.901 20 10 GFCDHM COc1cc(Br)cc(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)c1[O-] ZINC000365152091 563775439 /nfs/dbraw/zinc/77/54/39/563775439.db2.gz NPQNXLOHJIXGJD-UONOGXRCSA-N -1 3 384.270 2.733 20 10 GFCDHM Cc1cc(C(=O)N(C)Cc2ccon2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228295 598849629 /nfs/dbraw/zinc/84/96/29/598849629.db2.gz WBYFFGHRCIEIRY-UHFFFAOYSA-N -1 3 377.408 2.534 20 10 GFCDHM COc1ccc(Cl)c(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821825215 599226191 /nfs/dbraw/zinc/22/61/91/599226191.db2.gz UVUBUYYTKNNFCB-UHFFFAOYSA-N -1 3 375.845 2.842 20 10 GFCDHM COc1ccc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)nc1 ZINC000737103353 599251589 /nfs/dbraw/zinc/25/15/89/599251589.db2.gz HSNBXNWMVKFWLW-UHFFFAOYSA-N -1 3 389.419 2.930 20 10 GFCDHM CCN(CC)c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC000736532471 598556292 /nfs/dbraw/zinc/55/62/92/598556292.db2.gz SQACTOBOFFPIOF-UHFFFAOYSA-N -1 3 386.391 2.767 20 10 GFCDHM CCN(CC)c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1F ZINC000736532471 598556295 /nfs/dbraw/zinc/55/62/95/598556295.db2.gz SQACTOBOFFPIOF-UHFFFAOYSA-N -1 3 386.391 2.767 20 10 GFCDHM Cc1cc(C(=O)Nc2ccc[nH]c2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238781 598612072 /nfs/dbraw/zinc/61/20/72/598612072.db2.gz TUZZGCGQIJXXPF-UHFFFAOYSA-N -1 3 375.392 2.627 20 10 GFCDHM CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C[C@H](C)O1 ZINC000736408902 598695776 /nfs/dbraw/zinc/69/57/76/598695776.db2.gz KUKKFTGZCCFBTN-KBXCAEBGSA-N -1 3 394.479 2.914 20 10 GFCDHM O=C(NCc1ccccc1O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823261589 599293060 /nfs/dbraw/zinc/29/30/60/599293060.db2.gz OUUJYSSWXHMNQB-UHFFFAOYSA-N -1 3 378.314 2.913 20 10 GFCDHM O=C(NCc1ccccc1O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823261589 599293063 /nfs/dbraw/zinc/29/30/63/599293063.db2.gz OUUJYSSWXHMNQB-UHFFFAOYSA-N -1 3 378.314 2.913 20 10 GFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])c1[O-] ZINC000737677024 600704643 /nfs/dbraw/zinc/70/46/43/600704643.db2.gz HLFNARKRGBFDNW-ZDUSSCGKSA-N -1 3 375.446 2.724 20 10 GFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])c1[O-] ZINC000737677024 600704646 /nfs/dbraw/zinc/70/46/46/600704646.db2.gz HLFNARKRGBFDNW-ZDUSSCGKSA-N -1 3 375.446 2.724 20 10 GFCDHM COc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)cc1-c1nnn[n-]1 ZINC000826193194 607505940 /nfs/dbraw/zinc/50/59/40/607505940.db2.gz UAACBPGENKDWGA-UHFFFAOYSA-N -1 3 385.424 2.538 20 10 GFCDHM COc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)cc1-c1nn[n-]n1 ZINC000826193194 607505941 /nfs/dbraw/zinc/50/59/41/607505941.db2.gz UAACBPGENKDWGA-UHFFFAOYSA-N -1 3 385.424 2.538 20 10 GFCDHM CN(C)Cc1cccc(C(=O)NC[C@@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1 ZINC000828045982 603931944 /nfs/dbraw/zinc/93/19/44/603931944.db2.gz DVNIZLCCMYXZRK-LJQANCHMSA-N -1 3 384.480 2.553 20 10 GFCDHM COc1ccc(N(C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000821827466 606881625 /nfs/dbraw/zinc/88/16/25/606881625.db2.gz BUWOYFIQQVAJMZ-UHFFFAOYSA-N -1 3 390.806 2.743 20 10 GFCDHM COc1ccc(N(C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000821827466 606881627 /nfs/dbraw/zinc/88/16/27/606881627.db2.gz BUWOYFIQQVAJMZ-UHFFFAOYSA-N -1 3 390.806 2.743 20 10 GFCDHM O=[N+]([O-])c1ccc(N(Cc2ccccc2O)C[C@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC000826498016 608076669 /nfs/dbraw/zinc/07/66/69/608076669.db2.gz DBVOZNXPOMFFCM-OAHLLOKOSA-N -1 3 396.407 2.666 20 10 GFCDHM O=[N+]([O-])c1ccc(N(Cc2ccccc2O)C[C@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC000826498016 608076670 /nfs/dbraw/zinc/07/66/70/608076670.db2.gz DBVOZNXPOMFFCM-OAHLLOKOSA-N -1 3 396.407 2.666 20 10 GFCDHM Cc1cc(C(=O)NC[C@H]2CCO[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259035 608200607 /nfs/dbraw/zinc/20/06/07/608200607.db2.gz FOVTWISIAGLEAG-ZBFHGGJFSA-N -1 3 394.479 2.819 20 10 GFCDHM Cc1cc(C(=O)N2CCOCC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258837 608569605 /nfs/dbraw/zinc/56/96/05/608569605.db2.gz YWOGEYVYBIYKIV-CYBMUJFWSA-N -1 3 380.452 2.525 20 10 GFCDHM Cc1cc(C(=O)N2CCO[C@H](C(C)C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258120 609402058 /nfs/dbraw/zinc/40/20/58/609402058.db2.gz AGISUJZPXZZVPF-IBGZPJMESA-N -1 3 394.479 2.771 20 10 GFCDHM Cc1ccnc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1-c1nnn[n-]1 ZINC000826314501 609538291 /nfs/dbraw/zinc/53/82/91/609538291.db2.gz ZYULROJJMRBGEA-OKILXGFUSA-N -1 3 397.458 2.935 20 10 GFCDHM Cc1ccnc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1-c1nn[n-]n1 ZINC000826314501 609538293 /nfs/dbraw/zinc/53/82/93/609538293.db2.gz ZYULROJJMRBGEA-OKILXGFUSA-N -1 3 397.458 2.935 20 10 GFCDHM Cn1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1Cl ZINC000827096088 660478725 /nfs/dbraw/zinc/47/87/25/660478725.db2.gz QFHHKPLYDPMJQH-ZDUSSCGKSA-N -1 3 383.279 2.827 20 10 GFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CSCCS1 ZINC000134262615 654988755 /nfs/dbraw/zinc/98/87/55/654988755.db2.gz DGLVCRCUHAXVBG-ZBFHGGJFSA-N -1 3 386.970 2.975 20 10 GFCDHM CSc1cc(C)ccc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000757426648 655911602 /nfs/dbraw/zinc/91/16/02/655911602.db2.gz VWQWEOBVHSLJFW-UHFFFAOYSA-N -1 3 380.491 2.724 20 10 GFCDHM CCc1ncc(S(=O)(=O)[N-]C2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000763580729 656086734 /nfs/dbraw/zinc/08/67/34/656086734.db2.gz WTLFAIXYYPPBIC-UHFFFAOYSA-N -1 3 381.523 2.661 20 10 GFCDHM NC(=O)CN1C(=O)/C(=C/c2cc(Cl)c3ccccc3c2[O-])SC1=S ZINC000774548039 656536892 /nfs/dbraw/zinc/53/68/92/656536892.db2.gz STYHSOQMXPPERO-SDQBBNPISA-N -1 3 378.862 2.885 20 10 GFCDHM O=S(=O)([N-]CC[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccc(Cl)s1 ZINC000816558325 660161310 /nfs/dbraw/zinc/16/13/10/660161310.db2.gz USMJIWWVDOILTL-UHFFFAOYSA-N -1 3 399.296 2.968 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@H]1CCOC[C@@H]1OC ZINC000294779830 563216941 /nfs/dbraw/zinc/21/69/41/563216941.db2.gz ADQSSHVIEZNSON-WBMJQRKESA-N -1 3 386.286 2.945 20 10 GFCDHM COc1ccc(N2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CC2)cc1 ZINC000821831942 607279493 /nfs/dbraw/zinc/27/94/93/607279493.db2.gz TYHLDLBQZQGQFD-UHFFFAOYSA-N -1 3 393.451 2.538 20 10 GFCDHM COc1ccc(N2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CC2)cc1 ZINC000821831942 607279494 /nfs/dbraw/zinc/27/94/94/607279494.db2.gz TYHLDLBQZQGQFD-UHFFFAOYSA-N -1 3 393.451 2.538 20 10 GFCDHM O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000738370013 598316706 /nfs/dbraw/zinc/31/67/06/598316706.db2.gz MEJICWRVOSZZQW-UHFFFAOYSA-N -1 3 390.816 2.742 20 10 GFCDHM O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000738370013 598316708 /nfs/dbraw/zinc/31/67/08/598316708.db2.gz MEJICWRVOSZZQW-UHFFFAOYSA-N -1 3 390.816 2.742 20 10 GFCDHM Cc1cc(C(=O)N2C[C@H](C)OC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233956 598610531 /nfs/dbraw/zinc/61/05/31/598610531.db2.gz IYOOLGCFUVYDCZ-KBPBESRZSA-N -1 3 380.452 2.524 20 10 GFCDHM Cc1cc(C(=O)NCc2ccc(C)nc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737343588 598611053 /nfs/dbraw/zinc/61/10/53/598611053.db2.gz YVNUQAJCGDFYJG-UHFFFAOYSA-N -1 3 387.447 2.908 20 10 GFCDHM Cc1cc(C(=O)Nc2c(C)nn(C)c2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737511957 598611122 /nfs/dbraw/zinc/61/11/22/598611122.db2.gz QBUQOHGCFLGPRR-UHFFFAOYSA-N -1 3 390.451 2.877 20 10 GFCDHM CCN(C[C@@H]1CCCO1)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736533790 598611585 /nfs/dbraw/zinc/61/15/85/598611585.db2.gz DHNUPRFQCPEACB-SFHVURJKSA-N -1 3 394.479 2.915 20 10 GFCDHM CO[C@H](CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(C)C ZINC000821677363 599653712 /nfs/dbraw/zinc/65/37/12/599653712.db2.gz VFWTYUQULXCCQX-GOSISDBHSA-N -1 3 382.468 2.675 20 10 GFCDHM C[C@H]1CN(c2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cc2F)C[C@H](C)O1 ZINC000820777126 606049544 /nfs/dbraw/zinc/04/95/44/606049544.db2.gz PKFHCYJBLYZRBW-STQMWFEESA-N -1 3 383.431 2.627 20 10 GFCDHM C[C@H]1CN(c2ccc(CNc3ccc(-c4nn[n-]n4)nc3)cc2F)C[C@H](C)O1 ZINC000820777126 606049550 /nfs/dbraw/zinc/04/95/50/606049550.db2.gz PKFHCYJBLYZRBW-STQMWFEESA-N -1 3 383.431 2.627 20 10 GFCDHM Cc1cc(C(=O)NCc2ncoc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826343195 608208996 /nfs/dbraw/zinc/20/89/96/608208996.db2.gz QNUVDUNQCPUYQS-UHFFFAOYSA-N -1 3 377.408 2.501 20 10 GFCDHM Cc1cc(C(=O)N2CCOCC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258838 608569480 /nfs/dbraw/zinc/56/94/80/608569480.db2.gz YWOGEYVYBIYKIV-ZDUSSCGKSA-N -1 3 380.452 2.525 20 10 GFCDHM Cc1cc(C(=O)N2CCO[C@@H](C(C)C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258121 609401515 /nfs/dbraw/zinc/40/15/15/609401515.db2.gz AGISUJZPXZZVPF-LJQANCHMSA-N -1 3 394.479 2.771 20 10 GFCDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000825631472 609476618 /nfs/dbraw/zinc/47/66/18/609476618.db2.gz BEMNWUVQSYYTHU-UHFFFAOYSA-N -1 3 398.442 2.853 20 10 GFCDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000825631472 609476620 /nfs/dbraw/zinc/47/66/20/609476620.db2.gz BEMNWUVQSYYTHU-UHFFFAOYSA-N -1 3 398.442 2.853 20 10 GFCDHM CCOC(=O)Nc1ccc(NCc2cccc(OC)c2O)cc1-c1nnn[n-]1 ZINC000825553719 609491019 /nfs/dbraw/zinc/49/10/19/609491019.db2.gz VMBXQBAJCBVQHL-UHFFFAOYSA-N -1 3 384.396 2.761 20 10 GFCDHM CCOC(=O)Nc1ccc(NCc2cccc(OC)c2O)cc1-c1nn[n-]n1 ZINC000825553719 609491022 /nfs/dbraw/zinc/49/10/22/609491022.db2.gz VMBXQBAJCBVQHL-UHFFFAOYSA-N -1 3 384.396 2.761 20 10 GFCDHM CCn1cc([C@H]2C[S@](=O)CCN2Cc2ccc(Br)cc2[O-])cn1 ZINC000825693381 660437812 /nfs/dbraw/zinc/43/78/12/660437812.db2.gz YMUKBGZFZRQDGF-IQMFZBJNSA-N -1 3 398.326 2.677 20 10 GFCDHM Cc1ccc(C[C@@H](CO)CNC(=O)c2cccc(O)c2[O-])cc1Br ZINC000836992603 660963045 /nfs/dbraw/zinc/96/30/45/660963045.db2.gz NXXHOFOPNKANSY-CYBMUJFWSA-N -1 3 394.265 2.750 20 10 GFCDHM Cc1c(Br)cccc1C[C@H](CO)CNC(=O)c1cccc(O)c1[O-] ZINC000837066292 660969131 /nfs/dbraw/zinc/96/91/31/660969131.db2.gz QIJNNVWFIHDBTG-LBPRGKRZSA-N -1 3 394.265 2.750 20 10 GFCDHM COC(=O)CN(CC[S@@](=O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000111238329 655167131 /nfs/dbraw/zinc/16/71/31/655167131.db2.gz YQUZSMHMHBQKOY-VWLOTQADSA-N -1 3 381.881 2.828 20 10 GFCDHM O=[N+]([O-])c1cc(Cl)cc(CNCc2ccc3c(c2)CCS3(=O)=O)c1[O-] ZINC000757691788 655915302 /nfs/dbraw/zinc/91/53/02/655915302.db2.gz DAUJQYZHTDLQMS-UHFFFAOYSA-N -1 3 382.825 2.573 20 10 GFCDHM COc1c([O-])c(CN[C@H](CO)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000775031746 656589361 /nfs/dbraw/zinc/58/93/61/656589361.db2.gz FOPWETBWDZXULE-CYBMUJFWSA-N -1 3 397.225 2.895 20 10 GFCDHM CSc1ccccc1CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000792541943 658299249 /nfs/dbraw/zinc/29/92/49/658299249.db2.gz FIQBVVAOSODQFA-UHFFFAOYSA-N -1 3 380.491 2.758 20 10 GFCDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804740436 659680789 /nfs/dbraw/zinc/68/07/89/659680789.db2.gz GVNAGJGYPVRPDT-UHFFFAOYSA-N -1 3 379.210 2.749 20 10 GFCDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841570317 661304975 /nfs/dbraw/zinc/30/49/75/661304975.db2.gz RCAXYRAEBDPVFZ-GFCCVEGCSA-N -1 3 384.933 2.666 20 10 GFCDHM O=S1(=O)Cc2ccccc2[C@H](NCc2c([O-])cccc2Br)C1 ZINC000862424868 662287535 /nfs/dbraw/zinc/28/75/35/662287535.db2.gz IHISOAYSWUXXLX-OAHLLOKOSA-N -1 3 382.279 2.914 20 10 GFCDHM NC(=O)Cc1cccc2c1CCN(Cc1cccc(Br)c1[O-])C2 ZINC000877680319 662881759 /nfs/dbraw/zinc/88/17/59/662881759.db2.gz VLHZTVPENNVRJW-UHFFFAOYSA-N -1 3 375.266 2.741 20 10 GFCDHM Cn1nccc1[C@H](O)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895378185 663510805 /nfs/dbraw/zinc/51/08/05/663510805.db2.gz QGPOZVXDLVSSPD-QGZVFWFLSA-N -1 3 398.276 2.973 20 10 GFCDHM CN(Cc1cc(Br)ccc1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646513 551195078 /nfs/dbraw/zinc/19/50/78/551195078.db2.gz MDQILFAYKYDZPX-ZFWWWQNUSA-N -1 3 376.316 2.942 20 10 GFCDHM O=C(c1ccc[nH]1)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000372512603 563309292 /nfs/dbraw/zinc/30/92/92/563309292.db2.gz MGSPNTHMCHBYQP-UHFFFAOYSA-N -1 3 378.270 2.831 20 10 GFCDHM CC[C@H]1CN(Cc2cc(Br)cc(OC)c2[O-])C[C@]2(CCOC2)O1 ZINC000373481953 563340253 /nfs/dbraw/zinc/34/02/53/563340253.db2.gz RCVINIQKZGSOQE-YOEHRIQHSA-N -1 3 386.286 2.933 20 10 GFCDHM CNC(=O)[C@H](C)N[C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000291979062 563767392 /nfs/dbraw/zinc/76/73/92/563767392.db2.gz VEBDMINHDNPNRR-RQJHMYQMSA-N -1 3 380.080 2.702 20 10 GFCDHM C[C@@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000368211634 563866291 /nfs/dbraw/zinc/86/62/91/563866291.db2.gz IAJQAPYBUDYYPE-ABAIWWIYSA-N -1 3 383.286 2.585 20 10 GFCDHM O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823229521 599280057 /nfs/dbraw/zinc/28/00/57/599280057.db2.gz WGHKGOHEQWWWJV-UHFFFAOYSA-N -1 3 382.399 2.912 20 10 GFCDHM O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823229521 599280059 /nfs/dbraw/zinc/28/00/59/599280059.db2.gz WGHKGOHEQWWWJV-UHFFFAOYSA-N -1 3 382.399 2.912 20 10 GFCDHM Cc1cc(C(=O)NCc2scnc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737503543 598234866 /nfs/dbraw/zinc/23/48/66/598234866.db2.gz NLCMVLIZMIQNEH-UHFFFAOYSA-N -1 3 393.476 2.969 20 10 GFCDHM Cc1cc(C(=O)NOCc2cccnc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260621 607634148 /nfs/dbraw/zinc/63/41/48/607634148.db2.gz XOKPKRKFOXVJIP-UHFFFAOYSA-N -1 3 389.419 2.531 20 10 GFCDHM FC(F)Oc1ccc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC000822733206 606097078 /nfs/dbraw/zinc/09/70/78/606097078.db2.gz SGMLQDWVAHYEPY-ZDUSSCGKSA-N -1 3 387.394 2.944 20 10 GFCDHM FC(F)Oc1ccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000822733206 606097079 /nfs/dbraw/zinc/09/70/79/606097079.db2.gz SGMLQDWVAHYEPY-ZDUSSCGKSA-N -1 3 387.394 2.944 20 10 GFCDHM Cc1cc(C(=O)NCCn2cccc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176586 606287012 /nfs/dbraw/zinc/28/70/12/606287012.db2.gz LPYZAYUPMZLDJE-UHFFFAOYSA-N -1 3 375.436 2.506 20 10 GFCDHM Cc1nn(-c2ccccc2)c(CN(C)c2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000826332603 608318477 /nfs/dbraw/zinc/31/84/77/608318477.db2.gz ZCADPAOLXCOIPT-UHFFFAOYSA-N -1 3 389.419 2.726 20 10 GFCDHM CO[C@@H]1CCC[C@H]1CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826146489 608568940 /nfs/dbraw/zinc/56/89/40/608568940.db2.gz WPRZMFPFPZWKPR-QFBILLFUSA-N -1 3 394.479 2.819 20 10 GFCDHM COc1cc(Br)cc(CNc2cccc(-c3nnn[n-]3)c2)c1O ZINC000826176758 608872015 /nfs/dbraw/zinc/87/20/15/608872015.db2.gz BZAWSWDYTOVCDX-UHFFFAOYSA-N -1 3 376.214 2.956 20 10 GFCDHM COc1cc(Br)cc(CNc2cccc(-c3nn[n-]n3)c2)c1O ZINC000826176758 608872018 /nfs/dbraw/zinc/87/20/18/608872018.db2.gz BZAWSWDYTOVCDX-UHFFFAOYSA-N -1 3 376.214 2.956 20 10 GFCDHM O=C(CN(Cc1ccc(Br)cc1[O-])C[C@H]1CCCO1)N1CCCC1 ZINC000824869881 660403756 /nfs/dbraw/zinc/40/37/56/660403756.db2.gz IVJLDPRFFPEPEK-MRXNPFEDSA-N -1 3 397.313 2.758 20 10 GFCDHM CN(Cc1ccc(F)cc1Cl)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000107353929 655119978 /nfs/dbraw/zinc/11/99/78/655119978.db2.gz HTBKLJMJXCLUAS-UHFFFAOYSA-N -1 3 386.832 2.828 20 10 GFCDHM O=S(=O)(Cc1ccccc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000179681301 655316016 /nfs/dbraw/zinc/31/60/16/655316016.db2.gz LYXRSRDZUOJDMO-UHFFFAOYSA-N -1 3 380.897 2.693 20 10 GFCDHM COCCNC(=O)C1(N[C@@H](C)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000840822271 661192653 /nfs/dbraw/zinc/19/26/53/661192653.db2.gz JVMUJLGQOXRUQZ-VIFPVBQESA-N -1 3 391.693 2.754 20 10 GFCDHM Cc1ccc(C(=O)Nc2cc(I)ccc2O)c([O-])c1O ZINC000780993071 657039639 /nfs/dbraw/zinc/03/96/39/657039639.db2.gz CUMSCMZWQODYBH-UHFFFAOYSA-N -1 3 385.157 2.969 20 10 GFCDHM C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000781047914 657041072 /nfs/dbraw/zinc/04/10/72/657041072.db2.gz GEYVBRMZEQUXQU-VHSXEESVSA-N -1 3 380.388 2.567 20 10 GFCDHM COC(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])c(Br)c1 ZINC000785853605 657390713 /nfs/dbraw/zinc/39/07/13/657390713.db2.gz TXXHIUWGAWQZDE-UHFFFAOYSA-N -1 3 380.194 2.577 20 10 GFCDHM Cc1nc(C)c(CCC(=O)NCc2cc(Br)ccc2O)c(=O)[n-]1 ZINC000807740639 659863435 /nfs/dbraw/zinc/86/34/35/659863435.db2.gz VRBVZIJRVXGFFZ-UHFFFAOYSA-N -1 3 380.242 2.516 20 10 GFCDHM C[C@H](O)[C@H](NCc1cc(Br)ccc1[O-])C(=O)OCc1ccccc1 ZINC000816626917 660163479 /nfs/dbraw/zinc/16/34/79/660163479.db2.gz YYXWYAWEUCYZPN-SJCJKPOMSA-N -1 3 394.265 2.737 20 10 GFCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCC(F)(F)CC1 ZINC000848350865 661642804 /nfs/dbraw/zinc/64/28/04/661642804.db2.gz UKUZKLDOOHTHGM-JTQLQIEISA-N -1 3 376.425 2.708 20 10 GFCDHM CC1(O)CCN(c2cc(NCc3cccc(Br)c3[O-])ncn2)CC1 ZINC000853537808 661891548 /nfs/dbraw/zinc/89/15/48/661891548.db2.gz HRQOLPDXKOJDIM-UHFFFAOYSA-N -1 3 393.285 2.908 20 10 GFCDHM Cn1cc(Cl)c(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000860241885 662193406 /nfs/dbraw/zinc/19/34/06/662193406.db2.gz MZFHDWCPJHIPGF-CYBMUJFWSA-N -1 3 383.279 2.827 20 10 GFCDHM C[C@@H](NCc1c(I)cnn1C)c1cc(F)cc(F)c1[O-] ZINC000866631034 662485631 /nfs/dbraw/zinc/48/56/31/662485631.db2.gz CJJXZZUHGGZEJS-SSDOTTSWSA-N -1 3 393.175 2.859 20 10 GFCDHM C[C@H](NCc1c(I)cnn1C)c1c([O-])cccc1F ZINC000886649698 663115088 /nfs/dbraw/zinc/11/50/88/663115088.db2.gz GQOGVLFQESVMJU-QMMMGPOBSA-N -1 3 375.185 2.720 20 10 GFCDHM C[C@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc(F)c(F)c1[O-] ZINC000187800280 552425020 /nfs/dbraw/zinc/42/50/20/552425020.db2.gz XTUUGSIWXBGYBL-JTQLQIEISA-N -1 3 376.450 2.703 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)c1[O-] ZINC000190146093 552488914 /nfs/dbraw/zinc/48/89/14/552488914.db2.gz OOWSHYPTKQGNKY-CHWSQXEVSA-N -1 3 398.257 2.817 20 10 GFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1OC ZINC000263830666 553194681 /nfs/dbraw/zinc/19/46/81/553194681.db2.gz AYJTXFQVAQCISD-UHFFFAOYSA-N -1 3 384.479 2.566 20 10 GFCDHM CSc1nnc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)s1 ZINC000277919994 563232354 /nfs/dbraw/zinc/23/23/54/563232354.db2.gz JDQMBWYQRRHYPZ-UHFFFAOYSA-N -1 3 384.870 2.583 20 10 GFCDHM COc1cc(Br)cc(CN2CCC(C(=O)NC3CC3)CC2)c1[O-] ZINC000372435785 563306422 /nfs/dbraw/zinc/30/64/22/563306422.db2.gz NKBSQHAHASBQSP-UHFFFAOYSA-N -1 3 383.286 2.654 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N(C)Cc1ccco1 ZINC000297765478 563335203 /nfs/dbraw/zinc/33/52/03/563335203.db2.gz IDCGUSINPQQJKJ-UHFFFAOYSA-N -1 3 395.253 2.755 20 10 GFCDHM COc1cc(Br)cc(CN2CCC(CN3CCCC3=O)CC2)c1[O-] ZINC000378344352 563503907 /nfs/dbraw/zinc/50/39/07/563503907.db2.gz ZYWPTMMKWYJTRU-UHFFFAOYSA-N -1 3 397.313 2.998 20 10 GFCDHM CNC(=O)[C@H](C)N[C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000291979058 563767422 /nfs/dbraw/zinc/76/74/22/563767422.db2.gz VEBDMINHDNPNRR-BQBZGAKWSA-N -1 3 380.080 2.702 20 10 GFCDHM C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119833 599011932 /nfs/dbraw/zinc/01/19/32/599011932.db2.gz UZRDJWUVJDBJAN-HNNXBMFYSA-N -1 3 389.463 2.803 20 10 GFCDHM C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119833 599011934 /nfs/dbraw/zinc/01/19/34/599011934.db2.gz UZRDJWUVJDBJAN-HNNXBMFYSA-N -1 3 389.463 2.803 20 10 GFCDHM FC(F)Oc1ccc(N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cc1 ZINC000822732581 599084249 /nfs/dbraw/zinc/08/42/49/599084249.db2.gz LBXVOYIPGRBPJO-CYBMUJFWSA-N -1 3 387.394 2.944 20 10 GFCDHM FC(F)Oc1ccc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cc1 ZINC000822732581 599084251 /nfs/dbraw/zinc/08/42/51/599084251.db2.gz LBXVOYIPGRBPJO-CYBMUJFWSA-N -1 3 387.394 2.944 20 10 GFCDHM Cc1cc(C(=O)Nc2c(C)c(C)nn2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737511278 598403547 /nfs/dbraw/zinc/40/35/47/598403547.db2.gz JGDBZRGTMMHXGF-UHFFFAOYSA-N -1 3 390.451 2.877 20 10 GFCDHM Cc1cc(C(=O)NCCc2ccccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236905 598609818 /nfs/dbraw/zinc/60/98/18/598609818.db2.gz UQEROZQVKIDWTH-UHFFFAOYSA-N -1 3 387.447 2.642 20 10 GFCDHM CCCN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccccc1O ZINC000829464888 600852116 /nfs/dbraw/zinc/85/21/16/600852116.db2.gz SPFNZEPQTHCDRZ-LJQANCHMSA-N -1 3 382.460 2.642 20 10 GFCDHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N(Cc1ccccc1O)C1CCCC1 ZINC000826494067 607634728 /nfs/dbraw/zinc/63/47/28/607634728.db2.gz NOFLQDNDAWZZGW-UHFFFAOYSA-N -1 3 399.476 2.706 20 10 GFCDHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N(Cc1ccccc1O)C1CCCC1 ZINC000826494067 607634729 /nfs/dbraw/zinc/63/47/29/607634729.db2.gz NOFLQDNDAWZZGW-UHFFFAOYSA-N -1 3 399.476 2.706 20 10 GFCDHM Cc1cc(C(=O)O[C@@H](C)c2cnccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822184348 606205594 /nfs/dbraw/zinc/20/55/94/606205594.db2.gz SPRBBHUSRKKYFA-AWEZNQCLSA-N -1 3 389.419 2.982 20 10 GFCDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCSc1nccs1 ZINC000821608783 607097039 /nfs/dbraw/zinc/09/70/39/607097039.db2.gz UVOJLQNBRKDHHU-UHFFFAOYSA-N -1 3 389.510 2.647 20 10 GFCDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCSc1nccs1 ZINC000821608783 607097041 /nfs/dbraw/zinc/09/70/41/607097041.db2.gz UVOJLQNBRKDHHU-UHFFFAOYSA-N -1 3 389.510 2.647 20 10 GFCDHM CSc1nc(C2CC2)cc(C(=O)N(C)Cc2ccccc2O)c1-c1nnn[n-]1 ZINC000821989235 607223717 /nfs/dbraw/zinc/22/37/17/607223717.db2.gz IUXASLLTYKKKQI-UHFFFAOYSA-N -1 3 396.476 2.839 20 10 GFCDHM COCCC1(CNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CC1 ZINC000821686475 607228831 /nfs/dbraw/zinc/22/88/31/607228831.db2.gz RLHUFSGVYWXRCB-UHFFFAOYSA-N -1 3 394.479 2.821 20 10 GFCDHM Cc1cc(C(=O)OCc2cc(C)ncn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826267838 607806553 /nfs/dbraw/zinc/80/65/53/607806553.db2.gz ZCFQVNQLLRSHOJ-UHFFFAOYSA-N -1 3 389.419 2.730 20 10 GFCDHM COc1ccnc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)c1 ZINC000826221252 608040622 /nfs/dbraw/zinc/04/06/22/608040622.db2.gz WNEIOJKKKKHGNR-UHFFFAOYSA-N -1 3 389.419 2.930 20 10 GFCDHM Cc1cc(C(=O)NCC(C)(C)CCCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259482 608279256 /nfs/dbraw/zinc/27/92/56/608279256.db2.gz UKXFKGNCMAVKLB-UHFFFAOYSA-N -1 3 396.495 2.803 20 10 GFCDHM COc1cccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)c1O ZINC000826216344 608377478 /nfs/dbraw/zinc/37/74/78/608377478.db2.gz ULWIGZQLFBGTSZ-UHFFFAOYSA-N -1 3 382.811 2.817 20 10 GFCDHM COc1cccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)c1O ZINC000826216344 608377480 /nfs/dbraw/zinc/37/74/80/608377480.db2.gz ULWIGZQLFBGTSZ-UHFFFAOYSA-N -1 3 382.811 2.817 20 10 GFCDHM O=C(c1ccc(O)cc1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000091815200 655010234 /nfs/dbraw/zinc/01/02/34/655010234.db2.gz FIOXTUZBRMEMJT-UHFFFAOYSA-N -1 3 391.265 2.818 20 10 GFCDHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000276133820 655263977 /nfs/dbraw/zinc/26/39/77/655263977.db2.gz AAYCYIQLBFMXAR-GFCCVEGCSA-N -1 3 380.388 2.567 20 10 GFCDHM O=C1NCCN(Cc2cc(F)ccc2[O-])[C@@H]1c1ccccc1Br ZINC000779028890 656897723 /nfs/dbraw/zinc/89/77/23/656897723.db2.gz BWMOTSCTULQHMT-MRXNPFEDSA-N -1 3 379.229 2.967 20 10 GFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000055668773 551174581 /nfs/dbraw/zinc/17/45/81/551174581.db2.gz MYDSQNDLRQSQBY-UHFFFAOYSA-N -1 3 384.479 2.566 20 10 GFCDHM CCC(=O)N1CC[C@@H](C(=O)N(CC)Cc2cc(Br)ccc2[O-])C1 ZINC000119622716 551218023 /nfs/dbraw/zinc/21/80/23/551218023.db2.gz YMXYMAJTBAQMPI-GFCCVEGCSA-N -1 3 383.286 2.762 20 10 GFCDHM O=C(NCC1CCOCC1)[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000370294327 563239681 /nfs/dbraw/zinc/23/96/81/563239681.db2.gz NWHBGVUNISUEDD-INIZCTEOSA-N -1 3 397.313 2.662 20 10 GFCDHM COc1c([O-])c(CN[C@H](CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000278505532 563259395 /nfs/dbraw/zinc/25/93/95/563259395.db2.gz ORJQTSCJSQGOOI-CYBMUJFWSA-N -1 3 397.225 2.895 20 10 GFCDHM Cc1cc(C(=O)NC[C@@H]2CCCC[C@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234563 598954572 /nfs/dbraw/zinc/95/45/72/598954572.db2.gz MNSHUJNXGRPNFU-QFBILLFUSA-N -1 3 394.479 2.555 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737271175 599017530 /nfs/dbraw/zinc/01/75/30/599017530.db2.gz SONQBAVFGVIVOQ-UHFFFAOYSA-N -1 3 396.520 2.791 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737271175 599017532 /nfs/dbraw/zinc/01/75/32/599017532.db2.gz SONQBAVFGVIVOQ-UHFFFAOYSA-N -1 3 396.520 2.791 20 10 GFCDHM CN(C)c1ccc(CN(C)c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000736772127 599038977 /nfs/dbraw/zinc/03/89/77/599038977.db2.gz BDISXFYZEQQDSP-UHFFFAOYSA-N -1 3 377.374 2.983 20 10 GFCDHM CN(C)c1ccc(CN(C)c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000736772127 599038979 /nfs/dbraw/zinc/03/89/79/599038979.db2.gz BDISXFYZEQQDSP-UHFFFAOYSA-N -1 3 377.374 2.983 20 10 GFCDHM CCN(CC)c1ccc(CN(C)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736532002 599099871 /nfs/dbraw/zinc/09/98/71/599099871.db2.gz OVVSHANVJIJVQO-UHFFFAOYSA-N -1 3 393.495 2.783 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737271347 599105383 /nfs/dbraw/zinc/10/53/83/599105383.db2.gz TVWDVHONFGNDKQ-CQSZACIVSA-N -1 3 379.468 2.802 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737271347 599105385 /nfs/dbraw/zinc/10/53/85/599105385.db2.gz TVWDVHONFGNDKQ-CQSZACIVSA-N -1 3 379.468 2.802 20 10 GFCDHM Cc1cc(C(=O)N2CCCn3nccc32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235144 598611847 /nfs/dbraw/zinc/61/18/47/598611847.db2.gz SKBJDSHZRWHCFN-UHFFFAOYSA-N -1 3 388.435 2.521 20 10 GFCDHM COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737106749 598772909 /nfs/dbraw/zinc/77/29/09/598772909.db2.gz XJOMJMYIGBQDED-NEPJUHHUSA-N -1 3 382.424 2.702 20 10 GFCDHM COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737106749 598772910 /nfs/dbraw/zinc/77/29/10/598772910.db2.gz XJOMJMYIGBQDED-NEPJUHHUSA-N -1 3 382.424 2.702 20 10 GFCDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccc(N(C)C)c(F)c1 ZINC000822336416 599503438 /nfs/dbraw/zinc/50/34/38/599503438.db2.gz PUGWQGRTLGAGEG-UHFFFAOYSA-N -1 3 377.427 2.962 20 10 GFCDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1ccc(N(C)C)c(F)c1 ZINC000822336416 599503443 /nfs/dbraw/zinc/50/34/43/599503443.db2.gz PUGWQGRTLGAGEG-UHFFFAOYSA-N -1 3 377.427 2.962 20 10 GFCDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])c1[O-] ZINC000737677022 600704457 /nfs/dbraw/zinc/70/44/57/600704457.db2.gz HLFNARKRGBFDNW-CYBMUJFWSA-N -1 3 375.446 2.724 20 10 GFCDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CCSC[C@H]2CC(=O)[O-])c1[O-] ZINC000737677022 600704459 /nfs/dbraw/zinc/70/44/59/600704459.db2.gz HLFNARKRGBFDNW-CYBMUJFWSA-N -1 3 375.446 2.724 20 10 GFCDHM O=C([O-])C[C@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)CCO1 ZINC000833219871 601373842 /nfs/dbraw/zinc/37/38/42/601373842.db2.gz KIIYYBOYERDARU-ZDUSSCGKSA-N -1 3 380.238 2.983 20 10 GFCDHM O=C([O-])C[C@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)CCO1 ZINC000833219871 601373845 /nfs/dbraw/zinc/37/38/45/601373845.db2.gz KIIYYBOYERDARU-ZDUSSCGKSA-N -1 3 380.238 2.983 20 10 GFCDHM O=C([O-])C[C@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000833219871 601373847 /nfs/dbraw/zinc/37/38/47/601373847.db2.gz KIIYYBOYERDARU-ZDUSSCGKSA-N -1 3 380.238 2.983 20 10 GFCDHM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1sccc1-c1nnn[n-]1 ZINC000823289196 606276495 /nfs/dbraw/zinc/27/64/95/606276495.db2.gz FVZLEKZOAUWAHU-UHFFFAOYSA-N -1 3 388.416 2.890 20 10 GFCDHM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1sccc1-c1nn[n-]n1 ZINC000823289196 606276496 /nfs/dbraw/zinc/27/64/96/606276496.db2.gz FVZLEKZOAUWAHU-UHFFFAOYSA-N -1 3 388.416 2.890 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821196560 606556749 /nfs/dbraw/zinc/55/67/49/606556749.db2.gz AMSMNQUCNVRFGR-UHFFFAOYSA-N -1 3 382.443 2.711 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821196560 606556750 /nfs/dbraw/zinc/55/67/50/606556750.db2.gz AMSMNQUCNVRFGR-UHFFFAOYSA-N -1 3 382.443 2.711 20 10 GFCDHM CCc1nnc(NCc2c(O)ccc3c2CCCC3)c(-c2nnn[n-]2)c1CC ZINC000821542644 606938663 /nfs/dbraw/zinc/93/86/63/606938663.db2.gz VTIVMSPMCABJKY-UHFFFAOYSA-N -1 3 379.468 2.978 20 10 GFCDHM CCc1nnc(NCc2c(O)ccc3c2CCCC3)c(-c2nn[n-]n2)c1CC ZINC000821542644 606938665 /nfs/dbraw/zinc/93/86/65/606938665.db2.gz VTIVMSPMCABJKY-UHFFFAOYSA-N -1 3 379.468 2.978 20 10 GFCDHM CO[C@H]1CCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826146487 608569035 /nfs/dbraw/zinc/56/90/35/608569035.db2.gz WPRZMFPFPZWKPR-APWZRJJASA-N -1 3 394.479 2.819 20 10 GFCDHM Cn1ncc(Br)c1CNCc1c([O-])cccc1Br ZINC000706842580 655522210 /nfs/dbraw/zinc/52/22/10/655522210.db2.gz WOJNPHRYPZXQGJ-UHFFFAOYSA-N -1 3 375.064 2.941 20 10 GFCDHM CN(CC(=O)Nc1ccccc1Br)C(=O)c1cccc(O)c1[O-] ZINC000790473419 657990007 /nfs/dbraw/zinc/99/00/07/657990007.db2.gz OHJYRMMFODRSKV-UHFFFAOYSA-N -1 3 379.210 2.571 20 10 GFCDHM O=C(Nc1n[nH]c(-c2ccccc2Br)n1)c1cccc(O)c1[O-] ZINC000790511882 657994689 /nfs/dbraw/zinc/99/46/89/657994689.db2.gz NBZPNISCXGLETK-UHFFFAOYSA-N -1 3 375.182 2.898 20 10 GFCDHM COC(=O)[C@H](NCc1cc(Br)ccc1[O-])[C@@H]1CCC[C@H](OC)C1 ZINC000846108077 661533163 /nfs/dbraw/zinc/53/31/63/661533163.db2.gz MXSOMKWYEMJHFL-DIOULYMOSA-N -1 3 386.286 2.991 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000295347513 563242996 /nfs/dbraw/zinc/24/29/96/563242996.db2.gz YGPAGMBUSQSAPE-SMDDNHRTSA-N -1 3 392.315 2.874 20 10 GFCDHM CN(C)C(=O)COc1ccccc1CNCc1cccc(Br)c1[O-] ZINC000278435393 563255902 /nfs/dbraw/zinc/25/59/02/563255902.db2.gz UPZUQDPHMLUJTJ-UHFFFAOYSA-N -1 3 393.281 2.912 20 10 GFCDHM COc1cc(Br)cc(CN[C@@]2(CO)CCOc3ccccc32)c1[O-] ZINC000366901647 563823846 /nfs/dbraw/zinc/82/38/46/563823846.db2.gz VAORJXHHDJXHGA-GOSISDBHSA-N -1 3 394.265 2.923 20 10 GFCDHM CN(C)c1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000736774856 598277001 /nfs/dbraw/zinc/27/70/01/598277001.db2.gz ZLFOQUVRYIGNGA-UHFFFAOYSA-N -1 3 382.472 2.811 20 10 GFCDHM CN(C)c1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000736774856 598277003 /nfs/dbraw/zinc/27/70/03/598277003.db2.gz ZLFOQUVRYIGNGA-UHFFFAOYSA-N -1 3 382.472 2.811 20 10 GFCDHM FC(F)Oc1ccc(N2CCC(Nc3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000737639865 598355298 /nfs/dbraw/zinc/35/52/98/598355298.db2.gz XSLKZCZXPOIAPL-UHFFFAOYSA-N -1 3 387.394 2.944 20 10 GFCDHM FC(F)Oc1ccc(N2CCC(Nc3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000737639865 598355299 /nfs/dbraw/zinc/35/52/99/598355299.db2.gz XSLKZCZXPOIAPL-UHFFFAOYSA-N -1 3 387.394 2.944 20 10 GFCDHM Cc1cc(C(=O)N(C)C[C@H]2CCCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226524 598466936 /nfs/dbraw/zinc/46/69/36/598466936.db2.gz BGHPBUQBVKOEAL-MRXNPFEDSA-N -1 3 394.479 2.773 20 10 GFCDHM C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(-c2nnn[n-]2)c1 ZINC000820374910 599478539 /nfs/dbraw/zinc/47/85/39/599478539.db2.gz SYTLKKIWDIKQFD-AWEZNQCLSA-N -1 3 391.479 2.810 20 10 GFCDHM C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(-c2nn[n-]n2)c1 ZINC000820374910 599478542 /nfs/dbraw/zinc/47/85/42/599478542.db2.gz SYTLKKIWDIKQFD-AWEZNQCLSA-N -1 3 391.479 2.810 20 10 GFCDHM O=C([O-])N1CCC[C@@H](C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000740511380 603277112 /nfs/dbraw/zinc/27/71/12/603277112.db2.gz CORXDNXTSKUEAR-YOEHRIQHSA-N -1 3 381.904 2.990 20 10 GFCDHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N(Cc1ccccc1O)C1CCCC1 ZINC000826496106 607635357 /nfs/dbraw/zinc/63/53/57/607635357.db2.gz KZLQAUOGSDSWOG-UHFFFAOYSA-N -1 3 399.476 2.706 20 10 GFCDHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N(Cc1ccccc1O)C1CCCC1 ZINC000826496106 607635358 /nfs/dbraw/zinc/63/53/58/607635358.db2.gz KZLQAUOGSDSWOG-UHFFFAOYSA-N -1 3 399.476 2.706 20 10 GFCDHM CCN1CCN(c2ccc(CNCc3ccc(NC(=O)[O-])nc3)cc2F)CC1 ZINC000827228918 603549726 /nfs/dbraw/zinc/54/97/26/603549726.db2.gz SPPNVHVZJVAPMZ-UHFFFAOYSA-N -1 3 387.459 2.742 20 10 GFCDHM CCCN(CC(C)(C)O)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821095117 606153321 /nfs/dbraw/zinc/15/33/21/606153321.db2.gz YCLPMEWMMWJONB-UHFFFAOYSA-N -1 3 396.495 2.897 20 10 GFCDHM Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(O)c1O ZINC000822227305 606559617 /nfs/dbraw/zinc/55/96/17/606559617.db2.gz CTOPMRPZNCYWRN-UHFFFAOYSA-N -1 3 392.318 2.545 20 10 GFCDHM Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(O)c1O ZINC000822227305 606559619 /nfs/dbraw/zinc/55/96/19/606559619.db2.gz CTOPMRPZNCYWRN-UHFFFAOYSA-N -1 3 392.318 2.545 20 10 GFCDHM Cc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c(C)n1-c1ccccn1 ZINC000826258428 607953482 /nfs/dbraw/zinc/95/34/82/607953482.db2.gz LGOFAGYDFJDLSY-UHFFFAOYSA-N -1 3 385.431 2.872 20 10 GFCDHM Cc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c(C)n1-c1ccccn1 ZINC000826258428 607953483 /nfs/dbraw/zinc/95/34/83/607953483.db2.gz LGOFAGYDFJDLSY-UHFFFAOYSA-N -1 3 385.431 2.872 20 10 GFCDHM COc1cc(-c2nnn[n-]2)ccc1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000826167517 608364883 /nfs/dbraw/zinc/36/48/83/608364883.db2.gz HPMHLCZVDYJRIS-UHFFFAOYSA-N -1 3 385.424 2.538 20 10 GFCDHM COc1cc(-c2nn[n-]n2)ccc1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000826167517 608364885 /nfs/dbraw/zinc/36/48/85/608364885.db2.gz HPMHLCZVDYJRIS-UHFFFAOYSA-N -1 3 385.424 2.538 20 10 GFCDHM C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000824457329 609417728 /nfs/dbraw/zinc/41/77/28/609417728.db2.gz JZDFRDLVLPUMRN-QMMMGPOBSA-N -1 3 380.330 2.735 20 10 GFCDHM C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000824457329 609417729 /nfs/dbraw/zinc/41/77/29/609417729.db2.gz JZDFRDLVLPUMRN-QMMMGPOBSA-N -1 3 380.330 2.735 20 10 GFCDHM CCOC(=O)[C@H](Cc1ccccn1)NCc1ccc(Br)cc1[O-] ZINC000825698689 660438227 /nfs/dbraw/zinc/43/82/27/660438227.db2.gz QVYCPSNUBBXCFQ-HNNXBMFYSA-N -1 3 379.254 2.814 20 10 GFCDHM CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC000825824748 660443005 /nfs/dbraw/zinc/44/30/05/660443005.db2.gz NXQGPDNMZOAUGX-UHFFFAOYSA-N -1 3 380.897 2.820 20 10 GFCDHM C[C@@H]1CN(Cc2c([O-])ccc3cc(Br)ccc32)CCS1(=O)=O ZINC000151573507 655052651 /nfs/dbraw/zinc/05/26/51/655052651.db2.gz JZWMCCBBDOMJLW-LLVKDONJSA-N -1 3 384.295 2.927 20 10 GFCDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1CC ZINC000179242512 655312165 /nfs/dbraw/zinc/31/21/65/655312165.db2.gz RKGSMNRGRSETAI-UHFFFAOYSA-N -1 3 382.507 2.984 20 10 GFCDHM COc1cccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1O ZINC000751304657 655824971 /nfs/dbraw/zinc/82/49/71/655824971.db2.gz GPBXTIXRKKXBNW-UHFFFAOYSA-N -1 3 386.813 2.749 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(F)F)C2CCCCC2)c1 ZINC000857741530 662089537 /nfs/dbraw/zinc/08/95/37/662089537.db2.gz GWYGTWRNSHODDW-CQSZACIVSA-N -1 3 376.425 2.708 20 10 GFCDHM C[C@H](NCc1c(I)cnn1C)c1ccc(F)cc1[O-] ZINC000866632292 662486199 /nfs/dbraw/zinc/48/61/99/662486199.db2.gz XQCYGMOKXVMPGX-QMMMGPOBSA-N -1 3 375.185 2.720 20 10 GFCDHM CCN(Cc1cn(C[C@@H]2CCOC2)nn1)Cc1cc(Br)ccc1[O-] ZINC000876794457 662866553 /nfs/dbraw/zinc/86/65/53/662866553.db2.gz WECDOWDLWGYDQJ-ZDUSSCGKSA-N -1 3 395.301 2.805 20 10 GFCDHM CN(C)[S@](C)(=O)=NCC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000898398239 663648211 /nfs/dbraw/zinc/64/82/11/663648211.db2.gz IPJYAOHOIHBAHC-XMMPIXPASA-N -1 3 377.913 2.971 20 10 GFCDHM O=C(CC1CCN(Cc2cc(Br)ccc2[O-])CC1)N1CCOCC1 ZINC000372413903 563305493 /nfs/dbraw/zinc/30/54/93/563305493.db2.gz SKAONZSHEWEKAZ-UHFFFAOYSA-N -1 3 397.313 2.616 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cc(=O)c(OC)co1 ZINC000282680655 563420734 /nfs/dbraw/zinc/42/07/34/563420734.db2.gz JENXTIJOTPDEEP-UHFFFAOYSA-N -1 3 382.210 2.779 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)Nc1cc(C)ns1 ZINC000287568679 563608071 /nfs/dbraw/zinc/60/80/71/563608071.db2.gz BSUGIFMEARXBGI-UHFFFAOYSA-N -1 3 398.282 2.907 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@H]1CCCCNC1=O ZINC000366967171 563825880 /nfs/dbraw/zinc/82/58/80/563825880.db2.gz VDTSPWPQCNLXOE-GFCCVEGCSA-N -1 3 383.286 2.810 20 10 GFCDHM CCOc1ccc(N(C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736645434 598864597 /nfs/dbraw/zinc/86/45/97/598864597.db2.gz XXMRMXCFOSYTGP-UHFFFAOYSA-N -1 3 386.843 2.994 20 10 GFCDHM CCOc1ccc(N(C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736645434 598864598 /nfs/dbraw/zinc/86/45/98/598864598.db2.gz XXMRMXCFOSYTGP-UHFFFAOYSA-N -1 3 386.843 2.994 20 10 GFCDHM Cc1cc(C(=O)NCC[C@@H]2CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233376 598610535 /nfs/dbraw/zinc/61/05/35/598610535.db2.gz BXWIPIONUQOSSP-KRWDZBQOSA-N -1 3 380.452 2.573 20 10 GFCDHM COc1ccncc1NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737160245 598611493 /nfs/dbraw/zinc/61/14/93/598611493.db2.gz WSKVLPYDOGKNDY-UHFFFAOYSA-N -1 3 389.419 2.930 20 10 GFCDHM CC[C@H](C)[C@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820859845 599379694 /nfs/dbraw/zinc/37/96/94/599379694.db2.gz GSTKXVDEDYRPSP-YEJXKQKISA-N -1 3 396.495 2.801 20 10 GFCDHM CN(C)c1ccc(CNC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1F ZINC000825880185 607455673 /nfs/dbraw/zinc/45/56/73/607455673.db2.gz XLBJGXPGBXLJAR-UHFFFAOYSA-N -1 3 395.442 2.560 20 10 GFCDHM CN(C)c1ccc(CNC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1F ZINC000825880185 607455674 /nfs/dbraw/zinc/45/56/74/607455674.db2.gz XLBJGXPGBXLJAR-UHFFFAOYSA-N -1 3 395.442 2.560 20 10 GFCDHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N(Cc1ccccc1O)C1CCCC1 ZINC000826495515 607634172 /nfs/dbraw/zinc/63/41/72/607634172.db2.gz SCIAXFKXHWVRSF-UHFFFAOYSA-N -1 3 399.476 2.706 20 10 GFCDHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N(Cc1ccccc1O)C1CCCC1 ZINC000826495515 607634175 /nfs/dbraw/zinc/63/41/75/607634175.db2.gz SCIAXFKXHWVRSF-UHFFFAOYSA-N -1 3 399.476 2.706 20 10 GFCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000826249164 607665342 /nfs/dbraw/zinc/66/53/42/607665342.db2.gz OWNUYAZADGFSDM-UHFFFAOYSA-N -1 3 394.504 2.658 20 10 GFCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000826249164 607665344 /nfs/dbraw/zinc/66/53/44/607665344.db2.gz OWNUYAZADGFSDM-UHFFFAOYSA-N -1 3 394.504 2.658 20 10 GFCDHM CCC[C@H](CCO)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821021213 606288240 /nfs/dbraw/zinc/28/82/40/606288240.db2.gz LZAHKDYULBKWJB-MRXNPFEDSA-N -1 3 396.495 2.803 20 10 GFCDHM Cc1cc(C(=O)N[C@@H](C)C2CCOCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169051 606817301 /nfs/dbraw/zinc/81/73/01/606817301.db2.gz XPEDVYLKWUEOEN-AWEZNQCLSA-N -1 3 394.479 2.819 20 10 GFCDHM COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821839650 607154475 /nfs/dbraw/zinc/15/44/75/607154475.db2.gz WSKYXFXJEJXDKB-GFCCVEGCSA-N -1 3 397.435 2.616 20 10 GFCDHM Cc1cc(C(=O)N[C@H]2CC[C@@H](CO)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260409 607940813 /nfs/dbraw/zinc/94/08/13/607940813.db2.gz MUOKLLKOGGZPTN-WOVMCDHWSA-N -1 3 394.479 2.555 20 10 GFCDHM Cc1cc(C(=O)N2CCCC[C@@H]2CCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257860 608054189 /nfs/dbraw/zinc/05/41/89/608054189.db2.gz QVJPWXAOPYUQNE-QGZVFWFLSA-N -1 3 394.479 2.651 20 10 GFCDHM O=[N+]([O-])c1cnc(N2CC=C(c3ccc(Cl)nc3)CC2)c(-c2nnn[n-]2)c1 ZINC000826500556 608296268 /nfs/dbraw/zinc/29/62/68/608296268.db2.gz BUZBZWQTDBGAJQ-UHFFFAOYSA-N -1 3 384.787 2.512 20 10 GFCDHM O=[N+]([O-])c1cnc(N2CC=C(c3ccc(Cl)nc3)CC2)c(-c2nn[n-]n2)c1 ZINC000826500556 608296269 /nfs/dbraw/zinc/29/62/69/608296269.db2.gz BUZBZWQTDBGAJQ-UHFFFAOYSA-N -1 3 384.787 2.512 20 10 GFCDHM Cc1cc(C(=O)N(C)CC2CCOCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257225 608475815 /nfs/dbraw/zinc/47/58/15/608475815.db2.gz SWYDIBJTBUIJMR-UHFFFAOYSA-N -1 3 394.479 2.773 20 10 GFCDHM Cc1cc(C(=O)N[C@@H]2CCO[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259643 608829466 /nfs/dbraw/zinc/82/94/66/608829466.db2.gz YVUXLNAVXWYDDH-CZUORRHYSA-N -1 3 380.452 2.572 20 10 GFCDHM Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233830 609263269 /nfs/dbraw/zinc/26/32/69/609263269.db2.gz IAOCTAAGQWHYSX-OKILXGFUSA-N -1 3 380.452 2.524 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000817633948 660203442 /nfs/dbraw/zinc/20/34/42/660203442.db2.gz VDDMIKLEMXIQLP-SNVBAGLBSA-N -1 3 380.388 2.568 20 10 GFCDHM O=C(c1cccc(O)c1)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824689188 660399242 /nfs/dbraw/zinc/39/92/42/660399242.db2.gz LTSWBYVVSXLWEZ-UHFFFAOYSA-N -1 3 391.265 2.818 20 10 GFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(Cl)nn1 ZINC000827095365 660478748 /nfs/dbraw/zinc/47/87/48/660478748.db2.gz FFLCSLLPPGMCEH-CYBMUJFWSA-N -1 3 381.263 2.883 20 10 GFCDHM O=C(CSc1nncs1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134262372 654988701 /nfs/dbraw/zinc/98/87/01/654988701.db2.gz NUWMGFAQEBRPNR-ZDUSSCGKSA-N -1 3 398.941 2.770 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C2CCCC2)C(F)(F)F)c1 ZINC000179766850 655317041 /nfs/dbraw/zinc/31/70/41/655317041.db2.gz NVTJGCDLZYCYCD-CYBMUJFWSA-N -1 3 380.388 2.615 20 10 GFCDHM C[C@@H](O)[C@@H]1CCN(c2cc(NCc3cccc(Br)c3[O-])ncn2)C1 ZINC000840294608 661152316 /nfs/dbraw/zinc/15/23/16/661152316.db2.gz PCTRUTWZGYGGNF-DGCLKSJQSA-N -1 3 393.285 2.764 20 10 GFCDHM O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778993975 656897062 /nfs/dbraw/zinc/89/70/62/656897062.db2.gz ZNNGHNFJQUNWLP-UHFFFAOYSA-N -1 3 384.860 2.691 20 10 GFCDHM Cc1cc(S(=O)(=O)NCCNCc2c([O-])ccc(Cl)c2F)c(C)s1 ZINC000790981887 658051625 /nfs/dbraw/zinc/05/16/25/658051625.db2.gz ABCMJGKPTVHJTK-UHFFFAOYSA-N -1 3 392.905 2.931 20 10 GFCDHM COC(=O)CN(Cc1ncc(CN(C)C)s1)Cc1cc(Cl)ccc1[O-] ZINC000809572834 659932333 /nfs/dbraw/zinc/93/23/33/659932333.db2.gz UGNIOYZCPCGFLE-UHFFFAOYSA-N -1 3 383.901 2.739 20 10 GFCDHM O=S1(=O)Cc2ccccc2[C@H](NCc2cccc(Br)c2[O-])C1 ZINC000857060707 662062071 /nfs/dbraw/zinc/06/20/71/662062071.db2.gz FCKPLGIHINPEHC-OAHLLOKOSA-N -1 3 382.279 2.914 20 10 GFCDHM [O-]c1c(F)cc(Br)cc1CNCc1cccc(N2CCOCC2)n1 ZINC000883092483 663048680 /nfs/dbraw/zinc/04/86/80/663048680.db2.gz QQEGVSIWTVTEFU-UHFFFAOYSA-N -1 3 396.260 2.815 20 10 GFCDHM CCCC[C@@H](NC(N)=O)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000120993737 551224834 /nfs/dbraw/zinc/22/48/34/551224834.db2.gz VLPDJHKLTBKUBC-CYBMUJFWSA-N -1 3 386.290 2.730 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000122262381 551296769 /nfs/dbraw/zinc/29/67/69/551296769.db2.gz RWRZFYXHMMCKAI-CQSZACIVSA-N -1 3 393.285 2.967 20 10 GFCDHM Cc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234559 598954549 /nfs/dbraw/zinc/95/45/49/598954549.db2.gz MNSHUJNXGRPNFU-LPHOPBHVSA-N -1 3 394.479 2.555 20 10 GFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821220610 607299859 /nfs/dbraw/zinc/29/98/59/607299859.db2.gz COGDTRAIFIIIJR-UHFFFAOYSA-N -1 3 385.859 2.643 20 10 GFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821220610 607299860 /nfs/dbraw/zinc/29/98/60/607299860.db2.gz COGDTRAIFIIIJR-UHFFFAOYSA-N -1 3 385.859 2.643 20 10 GFCDHM CCCN(Cc1ccccc1O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736481554 598543524 /nfs/dbraw/zinc/54/35/24/598543524.db2.gz WJCVFZXQHKIIGD-UHFFFAOYSA-N -1 3 384.415 2.833 20 10 GFCDHM CCCN(Cc1ccccc1O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736481554 598543526 /nfs/dbraw/zinc/54/35/26/598543526.db2.gz WJCVFZXQHKIIGD-UHFFFAOYSA-N -1 3 384.415 2.833 20 10 GFCDHM COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737106752 598772475 /nfs/dbraw/zinc/77/24/75/598772475.db2.gz XJOMJMYIGBQDED-NWDGAFQWSA-N -1 3 382.424 2.702 20 10 GFCDHM COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737106752 598772477 /nfs/dbraw/zinc/77/24/77/598772477.db2.gz XJOMJMYIGBQDED-NWDGAFQWSA-N -1 3 382.424 2.702 20 10 GFCDHM Cc1cc(C(=O)NCC(C)(C)C[C@@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168053 599425896 /nfs/dbraw/zinc/42/58/96/599425896.db2.gz LGPSUPWTTDPKJP-CQSZACIVSA-N -1 3 396.495 2.801 20 10 GFCDHM O=C([O-])c1cc2ccccc2c(CN2CCN(Cc3ccncc3)CC2)c1O ZINC000740098816 600413386 /nfs/dbraw/zinc/41/33/86/600413386.db2.gz VJGFHFBBNLKKKF-UHFFFAOYSA-N -1 3 377.444 2.956 20 10 GFCDHM Cc1cc(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(C)n1-c1ccccc1 ZINC000822200222 606313849 /nfs/dbraw/zinc/31/38/49/606313849.db2.gz YXKGRICQKWRWIT-UHFFFAOYSA-N -1 3 375.436 2.575 20 10 GFCDHM Cc1cc(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(C)n1-c1ccccc1 ZINC000822200222 606313851 /nfs/dbraw/zinc/31/38/51/606313851.db2.gz YXKGRICQKWRWIT-UHFFFAOYSA-N -1 3 375.436 2.575 20 10 GFCDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCSc1nccs1 ZINC000821762871 606954938 /nfs/dbraw/zinc/95/49/38/606954938.db2.gz RMFAIRGOUCPGFA-UHFFFAOYSA-N -1 3 391.482 2.636 20 10 GFCDHM COCCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157513 608005732 /nfs/dbraw/zinc/00/57/32/608005732.db2.gz YNBSTUHWHRLGQL-YCRREMRBSA-N -1 3 384.827 2.608 20 10 GFCDHM COCCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157513 608005733 /nfs/dbraw/zinc/00/57/33/608005733.db2.gz YNBSTUHWHRLGQL-YCRREMRBSA-N -1 3 384.827 2.608 20 10 GFCDHM Cc1cc(C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259244 608491514 /nfs/dbraw/zinc/49/15/14/608491514.db2.gz MCFHHIAJZXERHS-XOIINTDNSA-N -1 3 394.479 2.960 20 10 GFCDHM Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258223 609173804 /nfs/dbraw/zinc/17/38/04/609173804.db2.gz DTJGEHANVSVWQL-WMLDXEAASA-N -1 3 394.479 2.819 20 10 GFCDHM COc1ccc(N2CCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)CC2)cc1 ZINC000826209540 609520371 /nfs/dbraw/zinc/52/03/71/609520371.db2.gz HEMURTUJFCQETI-UHFFFAOYSA-N -1 3 385.859 2.559 20 10 GFCDHM COc1ccc(N2CCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)CC2)cc1 ZINC000826209540 609520373 /nfs/dbraw/zinc/52/03/73/609520373.db2.gz HEMURTUJFCQETI-UHFFFAOYSA-N -1 3 385.859 2.559 20 10 GFCDHM O=C(c1cccnc1)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824484833 660393669 /nfs/dbraw/zinc/39/36/69/660393669.db2.gz VZUIXASQJPKNAT-UHFFFAOYSA-N -1 3 376.254 2.508 20 10 GFCDHM COC(=O)[C@H](NCc1ccc(Br)cc1[O-])[C@H]1CCC[C@H](OC)C1 ZINC000826142555 660450780 /nfs/dbraw/zinc/45/07/80/660450780.db2.gz FIIDOUVLDZDKKG-HZUKXOBISA-N -1 3 386.286 2.991 20 10 GFCDHM CCOc1ccc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)nn1 ZINC000827793768 660515617 /nfs/dbraw/zinc/51/56/17/660515617.db2.gz RVZGZPSSODGEPK-UHFFFAOYSA-N -1 3 393.285 2.666 20 10 GFCDHM CNc1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cs1 ZINC000123257442 654754548 /nfs/dbraw/zinc/75/45/48/654754548.db2.gz YYBVFIMAFMRDSP-ZDUSSCGKSA-N -1 3 380.901 2.938 20 10 GFCDHM CN(CCc1ccc(Cl)cc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000172164820 655156720 /nfs/dbraw/zinc/15/67/20/655156720.db2.gz GQNJBEXHNJJTPP-UHFFFAOYSA-N -1 3 382.869 2.732 20 10 GFCDHM Cn1nccc1C(NCc1cc(Br)ccc1[O-])c1ccnn1C ZINC000858321554 662108066 /nfs/dbraw/zinc/10/80/66/662108066.db2.gz JEIWMSDKFWAXJP-UHFFFAOYSA-N -1 3 376.258 2.501 20 10 GFCDHM CC(C)CN1C[C@@H]2CN(Cc3c([O-])cccc3Br)CCN2C1=O ZINC000862349884 662281928 /nfs/dbraw/zinc/28/19/28/662281928.db2.gz WMTJJLWJUUGJGZ-ZDUSSCGKSA-N -1 3 382.302 2.733 20 10 GFCDHM O=c1cc(N2CC[C@H]([NH2+]Cc3cc(Cl)cc(Br)c3[O-])C2)nc[n-]1 ZINC000898149936 663635633 /nfs/dbraw/zinc/63/56/33/663635633.db2.gz KIFHYDBRUBEPDB-NSHDSACASA-N -1 3 399.676 2.672 20 10 GFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000055639098 551173797 /nfs/dbraw/zinc/17/37/97/551173797.db2.gz DJIKRDHVKSFJAN-UHFFFAOYSA-N -1 3 380.491 2.738 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)C(=O)Nc1ncccn1 ZINC000157081903 551533162 /nfs/dbraw/zinc/53/31/62/551533162.db2.gz YUTQWDJUDYAISZ-LLVKDONJSA-N -1 3 379.258 2.794 20 10 GFCDHM Cc1cc(Br)cc(CN([C@@H](C)CS(C)(=O)=O)C2CC2)c1[O-] ZINC000180244890 552219032 /nfs/dbraw/zinc/21/90/32/552219032.db2.gz KFIUZDWRROOQKK-NSHDSACASA-N -1 3 376.316 2.861 20 10 GFCDHM C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Br)cc1[O-] ZINC000186022081 552376921 /nfs/dbraw/zinc/37/69/21/552376921.db2.gz BYRVWURURZRTRW-KCJUWKMLSA-N -1 3 381.192 2.969 20 10 GFCDHM Cn1ccnc1[C@]([O-])(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000263707636 553191725 /nfs/dbraw/zinc/19/17/25/553191725.db2.gz SRIYKJAYZWUSCO-CYBMUJFWSA-N -1 3 384.185 2.972 20 10 GFCDHM Cn1ccnc1[C@](O)(CNCc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000263707636 553191727 /nfs/dbraw/zinc/19/17/27/553191727.db2.gz SRIYKJAYZWUSCO-CYBMUJFWSA-N -1 3 384.185 2.972 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1cn(C)nc1COC ZINC000294845012 563218559 /nfs/dbraw/zinc/21/85/59/563218559.db2.gz FGRAMANKMXXWRO-UHFFFAOYSA-N -1 3 382.258 2.697 20 10 GFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CCc1scnc1C ZINC000298636312 563362115 /nfs/dbraw/zinc/36/21/15/563362115.db2.gz QZZFHRHCUPRQCM-UHFFFAOYSA-N -1 3 382.869 2.945 20 10 GFCDHM Cc1ccc(C(=O)N2CCC(Cn3cc(Br)cn3)CC2)c([O-])c1O ZINC000367809435 563856262 /nfs/dbraw/zinc/85/62/62/563856262.db2.gz GCHSOPADLBUASS-UHFFFAOYSA-N -1 3 394.269 2.918 20 10 GFCDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCCSc1nccs1 ZINC000737942377 598895036 /nfs/dbraw/zinc/89/50/36/598895036.db2.gz ZGTVVKQFBIEOLI-UHFFFAOYSA-N -1 3 392.535 2.714 20 10 GFCDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCCSc1nccs1 ZINC000737942377 598895037 /nfs/dbraw/zinc/89/50/37/598895037.db2.gz ZGTVVKQFBIEOLI-UHFFFAOYSA-N -1 3 392.535 2.714 20 10 GFCDHM Cc1cc(C(=O)NC[C@H]2CCCC[C@@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234544 598954778 /nfs/dbraw/zinc/95/47/78/598954778.db2.gz MNSHUJNXGRPNFU-APWZRJJASA-N -1 3 394.479 2.555 20 10 GFCDHM COc1ccc(O)c([C@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737107013 598777856 /nfs/dbraw/zinc/77/78/56/598777856.db2.gz YGAPFTRGWRMGLQ-NSHDSACASA-N -1 3 385.449 2.550 20 10 GFCDHM COc1ccc(O)c([C@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737107013 598777857 /nfs/dbraw/zinc/77/78/57/598777857.db2.gz YGAPFTRGWRMGLQ-NSHDSACASA-N -1 3 385.449 2.550 20 10 GFCDHM COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821838318 599486636 /nfs/dbraw/zinc/48/66/36/599486636.db2.gz LCUOICJHTXAKRT-NEPJUHHUSA-N -1 3 382.424 2.702 20 10 GFCDHM COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821838318 599486639 /nfs/dbraw/zinc/48/66/39/599486639.db2.gz LCUOICJHTXAKRT-NEPJUHHUSA-N -1 3 382.424 2.702 20 10 GFCDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000820543227 599488847 /nfs/dbraw/zinc/48/88/47/599488847.db2.gz WYRUOGQSUCNSGQ-CYBMUJFWSA-N -1 3 393.447 2.535 20 10 GFCDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000820543227 599488850 /nfs/dbraw/zinc/48/88/50/599488850.db2.gz WYRUOGQSUCNSGQ-CYBMUJFWSA-N -1 3 393.447 2.535 20 10 GFCDHM Cc1cc(C(=O)NCC2(O)CCCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177057 599495839 /nfs/dbraw/zinc/49/58/39/599495839.db2.gz SMLOOBQURHIECU-UHFFFAOYSA-N -1 3 394.479 2.699 20 10 GFCDHM Cc1cc(C(=O)N2CCSC[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233963 599575746 /nfs/dbraw/zinc/57/57/46/599575746.db2.gz MTWRGALKGVVKNN-CYBMUJFWSA-N -1 3 382.493 2.852 20 10 GFCDHM COc1ccc(O)c([C@@H](C)NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000833733147 605127193 /nfs/dbraw/zinc/12/71/93/605127193.db2.gz ABEFBMMKOIHSIG-SNVBAGLBSA-N -1 3 390.461 2.939 20 10 GFCDHM Cc1cc(C(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(C)n1-c1ccccc1 ZINC000822169000 606227614 /nfs/dbraw/zinc/22/76/14/606227614.db2.gz WHMNKWSDPDOWFO-UHFFFAOYSA-N -1 3 390.403 2.642 20 10 GFCDHM Cc1cc(C(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(C)n1-c1ccccc1 ZINC000822169000 606227615 /nfs/dbraw/zinc/22/76/15/606227615.db2.gz WHMNKWSDPDOWFO-UHFFFAOYSA-N -1 3 390.403 2.642 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821198301 606671133 /nfs/dbraw/zinc/67/11/33/606671133.db2.gz RDKZBXNKNVOTCX-UHFFFAOYSA-N -1 3 386.406 2.921 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821198301 606671134 /nfs/dbraw/zinc/67/11/34/606671134.db2.gz RDKZBXNKNVOTCX-UHFFFAOYSA-N -1 3 386.406 2.921 20 10 GFCDHM Cc1cc(C(=O)N2CCC[C@@H](CCO)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257393 607942248 /nfs/dbraw/zinc/94/22/48/607942248.db2.gz AMXCEDJHGYEWES-INIZCTEOSA-N -1 3 394.479 2.509 20 10 GFCDHM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259101 607993423 /nfs/dbraw/zinc/99/34/23/607993423.db2.gz HLCJJJFNKCZUOR-QFBILLFUSA-N -1 3 394.479 2.555 20 10 GFCDHM CN(Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCO2 ZINC000825986305 609173742 /nfs/dbraw/zinc/17/37/42/609173742.db2.gz YFCNNRSDXCISCD-UHFFFAOYSA-N -1 3 389.419 2.632 20 10 GFCDHM CN(Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCO2 ZINC000825986305 609173743 /nfs/dbraw/zinc/17/37/43/609173743.db2.gz YFCNNRSDXCISCD-UHFFFAOYSA-N -1 3 389.419 2.632 20 10 GFCDHM Cc1cc(Br)c([O-])c(CN2CCN(Cc3cnn(C)c3)CC2)c1 ZINC000781912794 657087967 /nfs/dbraw/zinc/08/79/67/657087967.db2.gz QRJBYAJVVLMFGK-UHFFFAOYSA-N -1 3 379.302 2.514 20 10 GFCDHM COc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)sn1 ZINC000857159069 662066202 /nfs/dbraw/zinc/06/62/02/662066202.db2.gz MDFWZMRKMOXGHU-CYBMUJFWSA-N -1 3 381.885 2.905 20 10 GFCDHM NC(=O)c1ccc(N2CCN(Cc3c([O-])cccc3Br)CC2)cc1 ZINC000862247023 662277106 /nfs/dbraw/zinc/27/71/06/662277106.db2.gz QLIYVODIUUXHOW-UHFFFAOYSA-N -1 3 390.281 2.576 20 10 GFCDHM CN(Cc1c([O-])cccc1Br)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000862247736 662277136 /nfs/dbraw/zinc/27/71/36/662277136.db2.gz BNKYMGPCNDLSQG-ZFWWWQNUSA-N -1 3 376.316 2.942 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCCN1CCCC1=O ZINC000174038158 552097573 /nfs/dbraw/zinc/09/75/73/552097573.db2.gz UOGNPPFQVUDSDT-UHFFFAOYSA-N -1 3 398.301 2.699 20 10 GFCDHM COc1cc(Br)cc(CN2CCC(NC(=O)C3CC3)CC2)c1[O-] ZINC000179910715 552207140 /nfs/dbraw/zinc/20/71/40/552207140.db2.gz RIRJXWYSNDCACL-UHFFFAOYSA-N -1 3 383.286 2.654 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000295347510 563243001 /nfs/dbraw/zinc/24/30/01/563243001.db2.gz YGPAGMBUSQSAPE-RISCZKNCSA-N -1 3 392.315 2.874 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCc2nccn2C1 ZINC000370428764 563243523 /nfs/dbraw/zinc/24/35/23/563243523.db2.gz SHBJRYIATSIZFU-LBPRGKRZSA-N -1 3 378.270 2.962 20 10 GFCDHM NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)N(Cc2cc(Br)ccc2[O-])C1 ZINC000371397612 563275848 /nfs/dbraw/zinc/27/58/48/563275848.db2.gz AGHDNWGFWALZCH-PELKAZGASA-N -1 3 381.192 2.783 20 10 GFCDHM CCS(=O)(=O)c1ccc(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])s1 ZINC000280299703 563331272 /nfs/dbraw/zinc/33/12/72/563331272.db2.gz ZUSILDIKKVLLEG-LLVKDONJSA-N -1 3 383.491 2.885 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1nnc(C2CC2)[nH]1 ZINC000297628796 563331614 /nfs/dbraw/zinc/33/16/14/563331614.db2.gz BEDYSCYBRSTVNI-UHFFFAOYSA-N -1 3 394.273 2.882 20 10 GFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000298873915 563369516 /nfs/dbraw/zinc/36/95/16/563369516.db2.gz VOJWFDIFNQYWKF-UHFFFAOYSA-N -1 3 384.479 2.566 20 10 GFCDHM COc1cc(Br)cc(CN2CCn3c(nnc3C(C)C)C2)c1[O-] ZINC000378349846 563503739 /nfs/dbraw/zinc/50/37/39/563503739.db2.gz LHPWXKKZORRVCP-UHFFFAOYSA-N -1 3 381.274 2.894 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000290316225 563704582 /nfs/dbraw/zinc/70/45/82/563704582.db2.gz KKOMQYQPAKKVJO-IVMMDQJWSA-N -1 3 384.270 2.555 20 10 GFCDHM Cc1cc(C(=O)NC[C@H]2CCCC[C@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234568 598954801 /nfs/dbraw/zinc/95/48/01/598954801.db2.gz MNSHUJNXGRPNFU-VQIMIIECSA-N -1 3 394.479 2.555 20 10 GFCDHM Cc1cc(C(=O)NC[C@H]2CCC[C@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235050 599099525 /nfs/dbraw/zinc/09/95/25/599099525.db2.gz QFSCHFVSOBKWCU-YJBOKZPZSA-N -1 3 394.479 2.555 20 10 GFCDHM CCOc1ccc(OCC)c(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736650113 598378177 /nfs/dbraw/zinc/37/81/77/598378177.db2.gz AHZXFICGCBCHCZ-UHFFFAOYSA-N -1 3 399.480 2.978 20 10 GFCDHM Cc1cc(C(=O)Nc2c(C)n[nH]c2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737451860 598611177 /nfs/dbraw/zinc/61/11/77/598611177.db2.gz DHYXLUHMSDKJIL-UHFFFAOYSA-N -1 3 376.424 2.866 20 10 GFCDHM CCC(CC)[C@H](O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736336681 598721377 /nfs/dbraw/zinc/72/13/77/598721377.db2.gz GCTHKMKFQRBMSP-LJQANCHMSA-N -1 3 396.495 2.801 20 10 GFCDHM C[C@H]1CN(c2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cc2F)C[C@H](C)O1 ZINC000820767087 599408523 /nfs/dbraw/zinc/40/85/23/599408523.db2.gz FWUYNAXARIXUEK-STQMWFEESA-N -1 3 386.431 2.502 20 10 GFCDHM Cc1cc(C(=O)N2CCC[C@H]([C@H](C)O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257687 607629325 /nfs/dbraw/zinc/62/93/25/607629325.db2.gz LPJMTKXDOHZCHZ-RDJZCZTQSA-N -1 3 394.479 2.507 20 10 GFCDHM C[C@@H](c1ccccc1)[N@H+](CCc1cn(CC(=O)[O-])nn1)Cc1ccccc1[O-] ZINC000833549684 605077793 /nfs/dbraw/zinc/07/77/93/605077793.db2.gz RSZHYSRJWUNTRN-INIZCTEOSA-N -1 3 380.448 2.874 20 10 GFCDHM C[C@@H](c1ccccc1)[N@@H+](CCc1cn(CC(=O)[O-])nn1)Cc1ccccc1[O-] ZINC000833549684 605077796 /nfs/dbraw/zinc/07/77/96/605077796.db2.gz RSZHYSRJWUNTRN-INIZCTEOSA-N -1 3 380.448 2.874 20 10 GFCDHM Cc1cc(C(=O)Nc2c[nH]c(=O)cc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822210537 606688951 /nfs/dbraw/zinc/68/89/51/606688951.db2.gz GSQGKLMJAZGPLH-UHFFFAOYSA-N -1 3 389.419 2.936 20 10 GFCDHM Cc1cc(C(=O)N[C@@H]2CCOC(C)(C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258996 607825803 /nfs/dbraw/zinc/82/58/03/607825803.db2.gz DKRBJFYTYHPGFB-MRXNPFEDSA-N -1 3 394.479 2.962 20 10 GFCDHM CCC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CCO1 ZINC000825252130 608010682 /nfs/dbraw/zinc/01/06/82/608010682.db2.gz GUFZKHCJIRSBLH-GOSISDBHSA-N -1 3 394.479 2.915 20 10 GFCDHM CCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OCCOC)c(O)c1 ZINC000825637908 608136164 /nfs/dbraw/zinc/13/61/64/608136164.db2.gz BDCBFNRXZOFEEQ-UHFFFAOYSA-N -1 3 385.424 2.608 20 10 GFCDHM O=C1C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)SC(=S)N1c1cccnc1 ZINC000826475440 608875633 /nfs/dbraw/zinc/87/56/33/608875633.db2.gz GGXFWZRIYYADHC-QPEQYQDCSA-N -1 3 384.421 2.807 20 10 GFCDHM O=C1C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)SC(=S)N1c1cccnc1 ZINC000826475440 608875635 /nfs/dbraw/zinc/87/56/35/608875635.db2.gz GGXFWZRIYYADHC-QPEQYQDCSA-N -1 3 384.421 2.807 20 10 GFCDHM O=C1[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476175 609177090 /nfs/dbraw/zinc/17/70/90/609177090.db2.gz CFMCLNUPIIMGJY-MRXNPFEDSA-N -1 3 398.854 2.511 20 10 GFCDHM CCc1nnsc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134259770 654988676 /nfs/dbraw/zinc/98/86/76/654988676.db2.gz YPTRLEYTKNEXDC-ZDUSSCGKSA-N -1 3 380.901 2.854 20 10 GFCDHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCCSc1nccs1 ZINC000751085147 655821339 /nfs/dbraw/zinc/82/13/39/655821339.db2.gz KHUMBXGRXPUVAH-UHFFFAOYSA-N -1 3 390.483 2.530 20 10 GFCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000780401069 657003771 /nfs/dbraw/zinc/00/37/71/657003771.db2.gz AHEZMMGUPUBTSS-UHFFFAOYSA-N -1 3 399.343 2.626 20 10 GFCDHM O=C(NCc1cc(Br)c2c(c1)OCCO2)c1cccc(O)c1[O-] ZINC000790576647 657998635 /nfs/dbraw/zinc/99/86/35/657998635.db2.gz NJONMJJUMIMPKD-UHFFFAOYSA-N -1 3 380.194 2.562 20 10 GFCDHM O=S(=O)(c1cccc(NCc2c([O-])cccc2Cl)c1)N1CCOCC1 ZINC000796383259 658914918 /nfs/dbraw/zinc/91/49/18/658914918.db2.gz GWARQFRBOLRYJK-UHFFFAOYSA-N -1 3 382.869 2.679 20 10 GFCDHM COc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)sn1 ZINC000857159070 662066221 /nfs/dbraw/zinc/06/62/21/662066221.db2.gz MDFWZMRKMOXGHU-ZDUSSCGKSA-N -1 3 381.885 2.905 20 10 GFCDHM CCOC(=O)[C@@H](Cc1ccccn1)NCc1c([O-])cccc1Br ZINC000862345856 662281513 /nfs/dbraw/zinc/28/15/13/662281513.db2.gz GBKFIGXKCVHRSB-OAHLLOKOSA-N -1 3 379.254 2.814 20 10 GFCDHM CCn1cc([C@H]2C[S@@](=O)CCN2Cc2c([O-])cccc2Br)cn1 ZINC000862344946 662281532 /nfs/dbraw/zinc/28/15/32/662281532.db2.gz PUCKVNXJLSYDSG-CMJOXMDJSA-N -1 3 398.326 2.677 20 10 GFCDHM Cc1cc(Br)cc(CN2CC(C[N-]C(=O)C(F)(F)F)C2)c1O ZINC000877777059 662883425 /nfs/dbraw/zinc/88/34/25/662883425.db2.gz MNYLGFFKDUTTRC-UHFFFAOYSA-N -1 3 381.192 2.573 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CCCCOC ZINC000184995145 552350792 /nfs/dbraw/zinc/35/07/92/552350792.db2.gz YUOHYWSCMPLATJ-UHFFFAOYSA-N -1 3 380.304 2.733 20 10 GFCDHM O=S1(=O)CCN(Cc2cc(Br)ccc2[O-])Cc2ccccc21 ZINC000187685468 552422207 /nfs/dbraw/zinc/42/22/07/552422207.db2.gz GBNYFJYOKJLTEU-UHFFFAOYSA-N -1 3 382.279 2.944 20 10 GFCDHM C[C@@H]1CCNC(=O)[C@H]1NCc1cc(Br)cc(Br)c1[O-] ZINC000195007373 553035831 /nfs/dbraw/zinc/03/58/31/553035831.db2.gz SYLSRAPWRRMZFY-HQJQHLMTSA-N -1 3 392.091 2.531 20 10 GFCDHM COc1cc(Br)cc(CN2CCc3ncnc(N(C)C)c3C2)c1[O-] ZINC000371384322 563276022 /nfs/dbraw/zinc/27/60/22/563276022.db2.gz RZUNFTARTMLESF-UHFFFAOYSA-N -1 3 393.285 2.578 20 10 GFCDHM Cc1ccc(C(=O)N(C)[C@@H]2CS(=O)(=O)c3ccc(Cl)cc32)c([O-])c1O ZINC000374738222 563381237 /nfs/dbraw/zinc/38/12/37/563381237.db2.gz OUGYGMHVSLUBHC-CYBMUJFWSA-N -1 3 381.837 2.660 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1cc(C)nn1C ZINC000288035371 563626390 /nfs/dbraw/zinc/62/63/90/563626390.db2.gz ZILVHADLWXJCFV-UHFFFAOYSA-N -1 3 381.274 2.928 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CC[C@@H]1CCOC1 ZINC000292952146 563797447 /nfs/dbraw/zinc/79/74/47/563797447.db2.gz BRWJKCZACMOBKM-LBPRGKRZSA-N -1 3 392.315 2.733 20 10 GFCDHM CN(C)c1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)cc1 ZINC000736778971 599259634 /nfs/dbraw/zinc/25/96/34/599259634.db2.gz JGSXAMCXEXPZKJ-UHFFFAOYSA-N -1 3 381.390 2.793 20 10 GFCDHM CN(C)c1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)cc1 ZINC000736778971 599259637 /nfs/dbraw/zinc/25/96/37/599259637.db2.gz JGSXAMCXEXPZKJ-UHFFFAOYSA-N -1 3 381.390 2.793 20 10 GFCDHM CN(C(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731486 598281435 /nfs/dbraw/zinc/28/14/35/598281435.db2.gz DZSSIJURADWULR-CLFYSBASSA-N -1 3 375.367 2.625 20 10 GFCDHM CN(C(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731486 598281436 /nfs/dbraw/zinc/28/14/36/598281436.db2.gz DZSSIJURADWULR-CLFYSBASSA-N -1 3 375.367 2.625 20 10 GFCDHM COCCCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736978097 598611461 /nfs/dbraw/zinc/61/14/61/598611461.db2.gz DGXGFAXIRIFYMP-UHFFFAOYSA-N -1 3 382.468 2.821 20 10 GFCDHM CSCCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC1=S ZINC000821960838 607462094 /nfs/dbraw/zinc/46/20/94/607462094.db2.gz DKGOFSAUNDNDED-XYOKQWHBSA-N -1 3 395.510 2.960 20 10 GFCDHM CSCCCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC1=S ZINC000821960838 607462095 /nfs/dbraw/zinc/46/20/95/607462095.db2.gz DKGOFSAUNDNDED-XYOKQWHBSA-N -1 3 395.510 2.960 20 10 GFCDHM COc1ccc(O)c([C@H](C)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000833733474 605126771 /nfs/dbraw/zinc/12/67/71/605126771.db2.gz INMYXDOAXPRGFZ-IINYFYTJSA-N -1 3 376.434 2.617 20 10 GFCDHM COc1ccc2c(c1)CCCN2CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000821849334 606107566 /nfs/dbraw/zinc/10/75/66/606107566.db2.gz DRECHNQWSUMDCW-UHFFFAOYSA-N -1 3 398.492 2.945 20 10 GFCDHM COc1ccc2c(c1)CCCN2CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000821849334 606107568 /nfs/dbraw/zinc/10/75/68/606107568.db2.gz DRECHNQWSUMDCW-UHFFFAOYSA-N -1 3 398.492 2.945 20 10 GFCDHM CN(C)c1ccc(CN(C)C(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821610754 606328898 /nfs/dbraw/zinc/32/88/98/606328898.db2.gz CZHHVFTVOTZEQW-UHFFFAOYSA-N -1 3 382.493 2.683 20 10 GFCDHM CN(C)c1ccc(CN(C)C(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821610754 606328900 /nfs/dbraw/zinc/32/89/00/606328900.db2.gz CZHHVFTVOTZEQW-UHFFFAOYSA-N -1 3 382.493 2.683 20 10 GFCDHM O[C@@H](CN1CCCc2cc(OC(F)F)ccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823682544 606922040 /nfs/dbraw/zinc/92/20/40/606922040.db2.gz RFDKGWLTIBGHFZ-KRWDZBQOSA-N -1 3 387.390 2.954 20 10 GFCDHM O[C@@H](CN1CCCc2cc(OC(F)F)ccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823682544 606922042 /nfs/dbraw/zinc/92/20/42/606922042.db2.gz RFDKGWLTIBGHFZ-KRWDZBQOSA-N -1 3 387.390 2.954 20 10 GFCDHM CCc1nnc(NCc2ccc3c(c2)CCCN3C)c(-c2nnn[n-]2)c1CC ZINC000821542702 606925679 /nfs/dbraw/zinc/92/56/79/606925679.db2.gz XRMPJNNIMQGOJI-UHFFFAOYSA-N -1 3 378.484 2.776 20 10 GFCDHM CCc1nnc(NCc2ccc3c(c2)CCCN3C)c(-c2nn[n-]n2)c1CC ZINC000821542702 606925680 /nfs/dbraw/zinc/92/56/80/606925680.db2.gz XRMPJNNIMQGOJI-UHFFFAOYSA-N -1 3 378.484 2.776 20 10 GFCDHM COc1ccc(N2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cc1 ZINC000826209409 608220018 /nfs/dbraw/zinc/22/00/18/608220018.db2.gz AKILITGFBMUQRU-UHFFFAOYSA-N -1 3 387.447 2.750 20 10 GFCDHM COc1ccc(N2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cc1 ZINC000826209409 608220019 /nfs/dbraw/zinc/22/00/19/608220019.db2.gz AKILITGFBMUQRU-UHFFFAOYSA-N -1 3 387.447 2.750 20 10 GFCDHM Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258222 609173870 /nfs/dbraw/zinc/17/38/70/609173870.db2.gz DTJGEHANVSVWQL-RHSMWYFYSA-N -1 3 394.479 2.819 20 10 GFCDHM NC(=O)c1ccc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)cc1 ZINC000824835887 660403286 /nfs/dbraw/zinc/40/32/86/660403286.db2.gz BNTBKFQIZMLZCO-UHFFFAOYSA-N -1 3 390.281 2.576 20 10 GFCDHM COc1cccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826216714 660451595 /nfs/dbraw/zinc/45/15/95/660451595.db2.gz KRAPLANLVFLNTJ-UHFFFAOYSA-N -1 3 375.845 2.842 20 10 GFCDHM COc1cccc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826216714 660451596 /nfs/dbraw/zinc/45/15/96/660451596.db2.gz KRAPLANLVFLNTJ-UHFFFAOYSA-N -1 3 375.845 2.842 20 10 GFCDHM CC[C@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nc(C)cs1 ZINC000271387052 655079130 /nfs/dbraw/zinc/07/91/30/655079130.db2.gz LECMXJOSAVJXHG-INIZCTEOSA-N -1 3 383.495 2.584 20 10 GFCDHM C[C@@H]1CS(=O)(=O)CCN1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000172610505 655159222 /nfs/dbraw/zinc/15/92/22/655159222.db2.gz GQFIDHUVOPYHSR-LLVKDONJSA-N -1 3 384.295 2.927 20 10 GFCDHM CCS(=O)(=O)CCCCCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000276418132 655275156 /nfs/dbraw/zinc/27/51/56/655275156.db2.gz FNTNIKLURMQYEO-UHFFFAOYSA-N -1 3 391.917 2.626 20 10 GFCDHM CN(C)S(=O)(=O)c1cccc2c1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000793606290 658415701 /nfs/dbraw/zinc/41/57/01/658415701.db2.gz KLHKGNOCNZMSPV-UHFFFAOYSA-N -1 3 380.897 2.854 20 10 GFCDHM O=S(=O)([N-]Cc1cc(Br)ccc1O)c1ccc(F)cc1F ZINC000796190397 658899030 /nfs/dbraw/zinc/89/90/30/658899030.db2.gz GZIXKGIPEZTCJY-UHFFFAOYSA-N -1 3 378.194 2.911 20 10 GFCDHM O=S1(=O)Cc2ccccc2[C@H](NCc2cc(Br)ccc2[O-])C1 ZINC000857061717 662062121 /nfs/dbraw/zinc/06/21/21/662062121.db2.gz UQPOZHMCZRPMIZ-OAHLLOKOSA-N -1 3 382.279 2.914 20 10 GFCDHM Cc1cc(Br)c([O-])c(CNC(c2ccnn2C)c2ccnn2C)c1 ZINC000858324496 662108341 /nfs/dbraw/zinc/10/83/41/662108341.db2.gz RSEBACPLYWEVRJ-UHFFFAOYSA-N -1 3 390.285 2.809 20 10 GFCDHM [O-]c1cccc(Br)c1CN1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000862237935 662275738 /nfs/dbraw/zinc/27/57/38/662275738.db2.gz GXFPCKSFSCZBEN-CQSZACIVSA-N -1 3 380.242 2.989 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC2CCC(F)(F)CC2)c1 ZINC000890060043 663283155 /nfs/dbraw/zinc/28/31/55/663283155.db2.gz OSCLPTIFTXTISU-UHFFFAOYSA-N -1 3 376.425 2.709 20 10 GFCDHM CCc1nnc(CNC(=O)N(CC)Cc2cc(Br)ccc2[O-])[nH]1 ZINC000297632550 563331834 /nfs/dbraw/zinc/33/18/34/563331834.db2.gz YKWJYBHEKPLHOA-UHFFFAOYSA-N -1 3 382.262 2.567 20 10 GFCDHM Cc1cc(Br)cc(CN(C)Cc2ccccc2S(N)(=O)=O)c1[O-] ZINC000293859645 563826258 /nfs/dbraw/zinc/82/62/58/563826258.db2.gz IFXYWVXVZYDQKU-UHFFFAOYSA-N -1 3 399.310 2.743 20 10 GFCDHM CC[C@H]1CO[C@H](C)CN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821002030 599157739 /nfs/dbraw/zinc/15/77/39/599157739.db2.gz UOLZNQJOHWRWTO-PBHICJAKSA-N -1 3 394.479 2.914 20 10 GFCDHM Cc1c(NC(=O)NCc2ccc(N3CC=CC3)cc2)cccc1-c1nnn[n-]1 ZINC000822105806 607293572 /nfs/dbraw/zinc/29/35/72/607293572.db2.gz XGNZWWXQCHLHNJ-UHFFFAOYSA-N -1 3 375.436 2.873 20 10 GFCDHM Cc1c(NC(=O)NCc2ccc(N3CC=CC3)cc2)cccc1-c1nn[n-]n1 ZINC000822105806 607293573 /nfs/dbraw/zinc/29/35/73/607293573.db2.gz XGNZWWXQCHLHNJ-UHFFFAOYSA-N -1 3 375.436 2.873 20 10 GFCDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000821761814 599274661 /nfs/dbraw/zinc/27/46/61/599274661.db2.gz FINUEUMKXOFQDT-UHFFFAOYSA-N -1 3 394.435 2.781 20 10 GFCDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000821761814 599274663 /nfs/dbraw/zinc/27/46/63/599274663.db2.gz FINUEUMKXOFQDT-UHFFFAOYSA-N -1 3 394.435 2.781 20 10 GFCDHM Cc1cc(C(=O)N2CCc3ncccc32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168478 607324788 /nfs/dbraw/zinc/32/47/88/607324788.db2.gz NSGFPWBYVKDJOP-UHFFFAOYSA-N -1 3 385.431 2.872 20 10 GFCDHM Cc1cc(C(=O)NCc2ncccc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737435968 598241815 /nfs/dbraw/zinc/24/18/15/598241815.db2.gz PAAQCBAEEYWNDX-UHFFFAOYSA-N -1 3 387.447 2.908 20 10 GFCDHM O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000738366886 598275121 /nfs/dbraw/zinc/27/51/21/598275121.db2.gz JQGFNZZEXLGTJW-UHFFFAOYSA-N -1 3 386.437 2.504 20 10 GFCDHM O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCSCc2ccccc2-c2nn[n-]n2)c1 ZINC000738366886 598275122 /nfs/dbraw/zinc/27/51/22/598275122.db2.gz JQGFNZZEXLGTJW-UHFFFAOYSA-N -1 3 386.437 2.504 20 10 GFCDHM Cc1noc([C@H](C)N2CCN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)n1 ZINC000738937060 600427083 /nfs/dbraw/zinc/42/70/83/600427083.db2.gz CZRYONRHHOVLKV-ZDUSSCGKSA-N -1 3 396.447 2.814 20 10 GFCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC(=S)N1c1cccnc1 ZINC000823504837 607457180 /nfs/dbraw/zinc/45/71/80/607457180.db2.gz VFXMMVZVQOGFIS-QPEQYQDCSA-N -1 3 384.421 2.807 20 10 GFCDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC(=S)N1c1cccnc1 ZINC000823504837 607457181 /nfs/dbraw/zinc/45/71/81/607457181.db2.gz VFXMMVZVQOGFIS-QPEQYQDCSA-N -1 3 384.421 2.807 20 10 GFCDHM CCCN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccccc1O ZINC000829464887 600852494 /nfs/dbraw/zinc/85/24/94/600852494.db2.gz SPFNZEPQTHCDRZ-IBGZPJMESA-N -1 3 382.460 2.642 20 10 GFCDHM CCn1cc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)cn1 ZINC000821565340 606336075 /nfs/dbraw/zinc/33/60/75/606336075.db2.gz OLTVAUMZVNLSHW-NYYWCZLTSA-N -1 3 389.491 2.550 20 10 GFCDHM CCn1cc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)cn1 ZINC000821565340 606336076 /nfs/dbraw/zinc/33/60/76/606336076.db2.gz OLTVAUMZVNLSHW-NYYWCZLTSA-N -1 3 389.491 2.550 20 10 GFCDHM Cc1nc(SCC(=O)N(C)Cc2ccccc2O)c(-c2nnn[n-]2)c(C)c1C ZINC000822453866 607223733 /nfs/dbraw/zinc/22/37/33/607223733.db2.gz PEFJEKWYHKHKSB-UHFFFAOYSA-N -1 3 398.492 2.643 20 10 GFCDHM Cc1nc(SCC(=O)N(C)Cc2ccccc2O)c(-c2nn[n-]n2)c(C)c1C ZINC000822453866 607223734 /nfs/dbraw/zinc/22/37/34/607223734.db2.gz PEFJEKWYHKHKSB-UHFFFAOYSA-N -1 3 398.492 2.643 20 10 GFCDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1OC)c1ccc(OC)c(OC)c1 ZINC000826158920 608372311 /nfs/dbraw/zinc/37/23/11/608372311.db2.gz ISTMJGCLLZJJBF-UHFFFAOYSA-N -1 3 399.451 2.546 20 10 GFCDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1OC)c1ccc(OC)c(OC)c1 ZINC000826158920 608372313 /nfs/dbraw/zinc/37/23/13/608372313.db2.gz ISTMJGCLLZJJBF-UHFFFAOYSA-N -1 3 399.451 2.546 20 10 GFCDHM [O-]c1cc(Br)ccc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000824823962 660402851 /nfs/dbraw/zinc/40/28/51/660402851.db2.gz GQRFFCGFQWDPCA-UHFFFAOYSA-N -1 3 377.164 2.781 20 10 GFCDHM COC(=O)[C@H](NCc1ccc(Br)cc1[O-])[C@H]1CCC[C@@H](OC)C1 ZINC000826142556 660450791 /nfs/dbraw/zinc/45/07/91/660450791.db2.gz FIIDOUVLDZDKKG-SGIREYDYSA-N -1 3 386.286 2.991 20 10 GFCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])CCN1C(=O)c1cscn1 ZINC000835058054 660839799 /nfs/dbraw/zinc/83/97/99/660839799.db2.gz XAXIXARLFFSHNQ-NSHDSACASA-N -1 3 396.310 2.958 20 10 GFCDHM Cc1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)ccc1F ZINC000105590262 655095235 /nfs/dbraw/zinc/09/52/35/655095235.db2.gz XHILUNFDFTUAJH-UHFFFAOYSA-N -1 3 392.861 2.960 20 10 GFCDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2O)c(C(F)(F)F)c1 ZINC000751151687 655822196 /nfs/dbraw/zinc/82/21/96/655822196.db2.gz UPQFFEZKUKAHIR-UHFFFAOYSA-N -1 3 376.312 2.798 20 10 GFCDHM CNc1ncc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000764856144 656121616 /nfs/dbraw/zinc/12/16/16/656121616.db2.gz SHBUHRVYVKYXGY-ZDUSSCGKSA-N -1 3 380.901 2.938 20 10 GFCDHM [O-]c1ccc(Br)cc1CN1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000769237112 656268277 /nfs/dbraw/zinc/26/82/77/656268277.db2.gz ANIKQYACSGGPHD-AWEZNQCLSA-N -1 3 380.242 2.989 20 10 GFCDHM Cc1cc(C)nc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000783602122 657245282 /nfs/dbraw/zinc/24/52/82/657245282.db2.gz FOJVPOZZKIRTNC-UHFFFAOYSA-N -1 3 377.286 2.884 20 10 GFCDHM CCN(Cc1cc(Br)cc(Br)c1[O-])[C@@H]1CCNC1=O ZINC000799737877 659219202 /nfs/dbraw/zinc/21/92/02/659219202.db2.gz PMHOLOVEZGRWRW-LLVKDONJSA-N -1 3 392.091 2.628 20 10 GFCDHM COC(=O)[C@H](NCc1c([O-])cccc1Br)[C@H]1CCC[C@@H](OC)C1 ZINC000862401434 662285596 /nfs/dbraw/zinc/28/55/96/662285596.db2.gz DRVBIOAKJFQDSA-HWWQOWPSSA-N -1 3 386.286 2.991 20 10 GFCDHM CCCN(Cc1ccccc1O)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000170732282 551637854 /nfs/dbraw/zinc/63/78/54/551637854.db2.gz FHSMFZIZOFJMJS-UHFFFAOYSA-N -1 3 382.507 2.561 20 10 GFCDHM COc1cc(Br)cc(CN2CCC(Oc3cnccn3)CC2)c1[O-] ZINC000369682096 563221162 /nfs/dbraw/zinc/22/11/62/563221162.db2.gz RBGRASUMRBVWMW-UHFFFAOYSA-N -1 3 394.269 2.997 20 10 GFCDHM CN(Cc1cc2c(cc1[O-])OCO2)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000371001343 563262265 /nfs/dbraw/zinc/26/22/65/563262265.db2.gz ZVPLTFWJYUXSDL-ZDUSSCGKSA-N -1 3 381.837 2.735 20 10 GFCDHM COCc1nc([C@@H]2COCCN2Cc2cc(Br)cc(C)c2[O-])no1 ZINC000378534060 563510564 /nfs/dbraw/zinc/51/05/64/563510564.db2.gz BUAGFOYUIOIIES-ZDUSSCGKSA-N -1 3 398.257 2.566 20 10 GFCDHM [O-]c1ccc(Br)cc1CN1CCn2c(nnc2-c2cccnc2)C1 ZINC000367474332 563845643 /nfs/dbraw/zinc/84/56/43/563845643.db2.gz FFEQXOBFECCXGC-UHFFFAOYSA-N -1 3 386.253 2.824 20 10 GFCDHM COC[C@@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(C)C ZINC000736978004 599105506 /nfs/dbraw/zinc/10/55/06/599105506.db2.gz MYMNEUSAOJGOPF-GOSISDBHSA-N -1 3 382.468 2.675 20 10 GFCDHM Cc1cc(C(=O)N2C[C@@H](C)OC(C)(C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232942 598612068 /nfs/dbraw/zinc/61/20/68/598612068.db2.gz AYALPVLDBDNOSO-CQSZACIVSA-N -1 3 394.479 2.914 20 10 GFCDHM Cc1cc(C(=O)N(C)C[C@@H]2CCCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227967 598612090 /nfs/dbraw/zinc/61/20/90/598612090.db2.gz RDLDVMGZAZLGBA-SFHVURJKSA-N -1 3 394.479 2.915 20 10 GFCDHM CN(Cc1c(O)c(C(=O)[O-])cc2ccccc21)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737454193 600498445 /nfs/dbraw/zinc/49/84/45/600498445.db2.gz CUCZJEPLRCJSGF-HNNXBMFYSA-N -1 3 396.365 2.839 20 10 GFCDHM O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1[O-] ZINC000826497704 607705099 /nfs/dbraw/zinc/70/50/99/607705099.db2.gz QRXFEXRGVYJGDO-UHFFFAOYSA-N -1 3 386.799 2.913 20 10 GFCDHM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823289146 606276361 /nfs/dbraw/zinc/27/63/61/606276361.db2.gz COASCCPOTVNDLA-UHFFFAOYSA-N -1 3 382.387 2.829 20 10 GFCDHM O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823289146 606276363 /nfs/dbraw/zinc/27/63/63/606276363.db2.gz COASCCPOTVNDLA-UHFFFAOYSA-N -1 3 382.387 2.829 20 10 GFCDHM Cc1cc(C(=O)N2CCO[C@@H](C)[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167271 607067341 /nfs/dbraw/zinc/06/73/41/607067341.db2.gz CCIQRNQHLOVQNT-HIFRSBDPSA-N -1 3 380.452 2.524 20 10 GFCDHM O=C(NCc1ccc(O)c(O)c1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823252985 607192188 /nfs/dbraw/zinc/19/21/88/607192188.db2.gz CLJPXVLQZLYEAZ-UHFFFAOYSA-N -1 3 387.399 2.875 20 10 GFCDHM O=C(NCc1ccc(O)c(O)c1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823252985 607192189 /nfs/dbraw/zinc/19/21/89/607192189.db2.gz CLJPXVLQZLYEAZ-UHFFFAOYSA-N -1 3 387.399 2.875 20 10 GFCDHM CC[C@H](C[C@@H](C)CO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825081115 607994029 /nfs/dbraw/zinc/99/40/29/607994029.db2.gz GJVIKSDOJHQNMR-CXAGYDPISA-N -1 3 396.495 2.801 20 10 GFCDHM Cc1cc(C(=O)N(CCCCO)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257944 608202834 /nfs/dbraw/zinc/20/28/34/608202834.db2.gz UFMKTUMBGGYMQN-UHFFFAOYSA-N -1 3 394.479 2.651 20 10 GFCDHM CCOC(=O)[C@@H](Cc1ccccn1)NCc1ccc(Br)cc1[O-] ZINC000825698691 660438273 /nfs/dbraw/zinc/43/82/73/660438273.db2.gz QVYCPSNUBBXCFQ-OAHLLOKOSA-N -1 3 379.254 2.814 20 10 GFCDHM COc1ccc(O)c(CNC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000140596103 655044807 /nfs/dbraw/zinc/04/48/07/655044807.db2.gz IWXBQSCUDJZUCH-UHFFFAOYSA-N -1 3 381.226 2.868 20 10 GFCDHM COC(=O)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cc1 ZINC000776641266 656774206 /nfs/dbraw/zinc/77/42/06/656774206.db2.gz VSCNSEQJLIFFKL-ZDUSSCGKSA-N -1 3 380.194 2.504 20 10 GFCDHM COC(=O)[C@@H](NCc1cc(Br)ccc1[O-])c1ccc(OC)c(O)c1 ZINC000792181118 658246154 /nfs/dbraw/zinc/24/61/54/658246154.db2.gz OTDASDRXXMAHTF-INIZCTEOSA-N -1 3 396.237 2.873 20 10 GFCDHM COc1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)c(O)c1 ZINC000793105289 658358713 /nfs/dbraw/zinc/35/87/13/658358713.db2.gz RQLBFUAIBHMMJF-UHFFFAOYSA-N -1 3 381.226 2.868 20 10 GFCDHM CC(C)CN1CCO[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000806322703 659829462 /nfs/dbraw/zinc/82/94/62/659829462.db2.gz CSJSZUPOKVXYSF-AWEZNQCLSA-N -1 3 390.311 2.855 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc3sccc3c2)c1 ZINC000811589430 660013177 /nfs/dbraw/zinc/01/31/77/660013177.db2.gz LRFQGVXFDXOREQ-UHFFFAOYSA-N -1 3 376.459 2.908 20 10 GFCDHM CON(Cc1ccccc1Cl)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000812426877 660027012 /nfs/dbraw/zinc/02/70/12/660027012.db2.gz LXGVAOCNXJXIPV-UHFFFAOYSA-N -1 3 384.841 2.621 20 10 GFCDHM O=C(NCc1ccc(N2CCOCC2)cc1)c1cc([O-])cc(Br)c1 ZINC000858724869 662120508 /nfs/dbraw/zinc/12/05/08/662120508.db2.gz VEHWTWOXVREWDZ-UHFFFAOYSA-N -1 3 391.265 2.921 20 10 GFCDHM COc1ccc(N2CCN(Cc3c([O-])cccc3Br)CC2)nc1 ZINC000862390849 662284697 /nfs/dbraw/zinc/28/46/97/662284697.db2.gz HGZWCKAVMIMWOE-UHFFFAOYSA-N -1 3 378.270 2.881 20 10 GFCDHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894095620 663442390 /nfs/dbraw/zinc/44/23/90/663442390.db2.gz RDJCWMKQAPNAMK-BDJLRTHQSA-N -1 3 398.276 2.973 20 10 GFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1nccnc1Cl ZINC000907061257 663998236 /nfs/dbraw/zinc/99/82/36/663998236.db2.gz UDHMDKTWYPCMDV-ZDUSSCGKSA-N -1 3 381.263 2.883 20 10 GFCDHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)s1 ZINC000917884315 664492021 /nfs/dbraw/zinc/49/20/21/664492021.db2.gz DVIYPHAOPPFNLB-UHFFFAOYSA-N -1 3 380.491 2.613 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1cnn(C)c1C ZINC000179356916 552190367 /nfs/dbraw/zinc/19/03/67/552190367.db2.gz AEDGLWVTRLSVJA-UHFFFAOYSA-N -1 3 381.274 2.928 20 10 GFCDHM CCCN(CCc1cccs1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000185648913 552368233 /nfs/dbraw/zinc/36/82/33/552368233.db2.gz CCKCFQRVRNBHLO-UHFFFAOYSA-N -1 3 382.507 2.920 20 10 GFCDHM [O-]c1ccc(Br)cc1CN1CCn2c(CC(F)(F)F)nnc2C1 ZINC000369624437 563219694 /nfs/dbraw/zinc/21/96/94/563219694.db2.gz YSHDMUPTHASLDM-UHFFFAOYSA-N -1 3 391.191 2.867 20 10 GFCDHM Cc1nccn1C[C@@H](C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277698695 563221314 /nfs/dbraw/zinc/22/13/14/563221314.db2.gz HNIBNEABGQCVEV-NSHDSACASA-N -1 3 381.274 2.795 20 10 GFCDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000371601541 563282152 /nfs/dbraw/zinc/28/21/52/563282152.db2.gz JJWYAUPECUQDGU-LLVKDONJSA-N -1 3 384.889 2.520 20 10 GFCDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000371601541 563282155 /nfs/dbraw/zinc/28/21/55/563282155.db2.gz JJWYAUPECUQDGU-LLVKDONJSA-N -1 3 384.889 2.520 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1CCCCN1C(C)=O ZINC000285550220 563526582 /nfs/dbraw/zinc/52/65/82/563526582.db2.gz DZJJVYTXUGCQNN-HNNXBMFYSA-N -1 3 383.286 2.904 20 10 GFCDHM CCn1cc([C@@H]2CS(=O)(=O)CCN2Cc2cc(Cl)cc(C)c2[O-])cn1 ZINC000290656174 563717171 /nfs/dbraw/zinc/71/71/71/563717171.db2.gz ZIRNRDMFXOZQKQ-INIZCTEOSA-N -1 3 383.901 2.542 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737269289 599017634 /nfs/dbraw/zinc/01/76/34/599017634.db2.gz BUVLMQLKWVZHRU-UHFFFAOYSA-N -1 3 382.493 2.650 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737269289 599017635 /nfs/dbraw/zinc/01/76/35/599017635.db2.gz BUVLMQLKWVZHRU-UHFFFAOYSA-N -1 3 382.493 2.650 20 10 GFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736557845 598329058 /nfs/dbraw/zinc/32/90/58/598329058.db2.gz BWGFAORGKCBOOV-UHFFFAOYSA-N -1 3 397.458 2.804 20 10 GFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736557845 598329060 /nfs/dbraw/zinc/32/90/60/598329060.db2.gz BWGFAORGKCBOOV-UHFFFAOYSA-N -1 3 397.458 2.804 20 10 GFCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)SC(=S)N1CCc1cccnc1 ZINC000738291592 598530888 /nfs/dbraw/zinc/53/08/88/598530888.db2.gz VMEQQIQXCVJUDD-GDNBJRDFSA-N -1 3 394.485 2.706 20 10 GFCDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)SC(=S)N1CCc1cccnc1 ZINC000738291592 598530890 /nfs/dbraw/zinc/53/08/90/598530890.db2.gz VMEQQIQXCVJUDD-GDNBJRDFSA-N -1 3 394.485 2.706 20 10 GFCDHM Cc1cc(C(=O)NCCOC2CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737237015 598611097 /nfs/dbraw/zinc/61/10/97/598611097.db2.gz ZHYGIQCSGDWMEN-UHFFFAOYSA-N -1 3 394.479 2.963 20 10 GFCDHM Cc1cc(C(=O)NCCOC(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737237013 598612013 /nfs/dbraw/zinc/61/20/13/598612013.db2.gz ZFXBQXDHXIPGDU-UHFFFAOYSA-N -1 3 382.468 2.819 20 10 GFCDHM CN(Cc1ccccc1O)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736828821 598718450 /nfs/dbraw/zinc/71/84/50/598718450.db2.gz OPJXXISGEJTCIO-UHFFFAOYSA-N -1 3 381.436 2.780 20 10 GFCDHM CN(Cc1ccccc1O)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736828821 598718451 /nfs/dbraw/zinc/71/84/51/598718451.db2.gz OPJXXISGEJTCIO-UHFFFAOYSA-N -1 3 381.436 2.780 20 10 GFCDHM COCCN(Cc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccc(OC)c(OC)c1 ZINC000826158876 607521701 /nfs/dbraw/zinc/52/17/01/607521701.db2.gz GWVKTAFSUASVHZ-UHFFFAOYSA-N -1 3 399.451 2.546 20 10 GFCDHM COCCN(Cc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccc(OC)c(OC)c1 ZINC000826158876 607521703 /nfs/dbraw/zinc/52/17/03/607521703.db2.gz GWVKTAFSUASVHZ-UHFFFAOYSA-N -1 3 399.451 2.546 20 10 GFCDHM Cc1cc(C(=O)NCc2ccn(C)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177078 606184986 /nfs/dbraw/zinc/18/49/86/606184986.db2.gz SVUFNHFYICHCNG-UHFFFAOYSA-N -1 3 375.436 2.543 20 10 GFCDHM CN(c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1)C1CCCCC1 ZINC000821619064 606283281 /nfs/dbraw/zinc/28/32/81/606283281.db2.gz IADSVJZYANSWRP-UHFFFAOYSA-N -1 3 393.495 2.904 20 10 GFCDHM CN(c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1)C1CCCCC1 ZINC000821619064 606283283 /nfs/dbraw/zinc/28/32/83/606283283.db2.gz IADSVJZYANSWRP-UHFFFAOYSA-N -1 3 393.495 2.904 20 10 GFCDHM C[C@H](NC(=O)NCCCSc1nccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820364414 607096530 /nfs/dbraw/zinc/09/65/30/607096530.db2.gz AHLRWQGVNUCYGC-NSHDSACASA-N -1 3 389.510 2.866 20 10 GFCDHM C[C@H](NC(=O)NCCCSc1nccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820364414 607096531 /nfs/dbraw/zinc/09/65/31/607096531.db2.gz AHLRWQGVNUCYGC-NSHDSACASA-N -1 3 389.510 2.866 20 10 GFCDHM Cc1cc(C(=O)N2CCC[C@@H]2C[C@@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258043 607779697 /nfs/dbraw/zinc/77/96/97/607779697.db2.gz XNVCTSRXZSJDOJ-RDTXWAMCSA-N -1 3 394.479 2.650 20 10 GFCDHM Cc1cc(C(=O)N2CCC[C@@H]2C(C)(C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257541 608202989 /nfs/dbraw/zinc/20/29/89/608202989.db2.gz GWVFBTWUJBKZCQ-GOSISDBHSA-N -1 3 394.479 2.650 20 10 GFCDHM COc1ccc2c(c1)CCCCN2CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826213259 608259370 /nfs/dbraw/zinc/25/93/70/608259370.db2.gz QSOMIEPMSFUDKS-UHFFFAOYSA-N -1 3 384.465 2.718 20 10 GFCDHM COc1ccc2c(c1)CCCCN2CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826213259 608259371 /nfs/dbraw/zinc/25/93/71/608259371.db2.gz QSOMIEPMSFUDKS-UHFFFAOYSA-N -1 3 384.465 2.718 20 10 GFCDHM O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)cn1 ZINC000824555306 660396863 /nfs/dbraw/zinc/39/68/63/660396863.db2.gz DUFMDGLRMQBWCY-UHFFFAOYSA-N -1 3 393.241 2.780 20 10 GFCDHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCCSc1nccs1 ZINC000751086798 655821318 /nfs/dbraw/zinc/82/13/18/655821318.db2.gz WJGCCVDXJHSORR-UHFFFAOYSA-N -1 3 390.483 2.530 20 10 GFCDHM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000775942285 656695056 /nfs/dbraw/zinc/69/50/56/656695056.db2.gz MTPLLMUONAKJBV-BXKDBHETSA-N -1 3 380.388 2.567 20 10 GFCDHM O=C1NCCN(Cc2cc(F)ccc2[O-])[C@H]1c1ccccc1Br ZINC000779028887 656897797 /nfs/dbraw/zinc/89/77/97/656897797.db2.gz BWMOTSCTULQHMT-INIZCTEOSA-N -1 3 379.229 2.967 20 10 GFCDHM CSCc1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000783826560 657263680 /nfs/dbraw/zinc/26/36/80/657263680.db2.gz PVCFGCCAIXBDSL-UHFFFAOYSA-N -1 3 380.491 2.557 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3sc(Cl)cc3C2)c1 ZINC000843938250 661398253 /nfs/dbraw/zinc/39/82/53/661398253.db2.gz GDTYQIDSXAYNQA-UHFFFAOYSA-N -1 3 386.882 2.677 20 10 GFCDHM Cc1cc(C)nc(N2CCN(Cc3c([O-])cccc3Br)CC2)n1 ZINC000862315586 662279700 /nfs/dbraw/zinc/27/97/00/662279700.db2.gz XOYJTKYPSHYFCL-UHFFFAOYSA-N -1 3 377.286 2.884 20 10 GFCDHM C[C@@H](NCc1c(I)cnn1C)c1ccc(F)cc1[O-] ZINC000866632291 662486166 /nfs/dbraw/zinc/48/61/66/662486166.db2.gz XQCYGMOKXVMPGX-MRVPVSSYSA-N -1 3 375.185 2.720 20 10 GFCDHM C[C@@H](N[C@H]1CCCNC1=O)c1cc(Br)cc(Br)c1[O-] ZINC000296254811 563281330 /nfs/dbraw/zinc/28/13/30/563281330.db2.gz DBFMKRIAXPGXLN-HQJQHLMTSA-N -1 3 392.091 2.846 20 10 GFCDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000371601542 563282473 /nfs/dbraw/zinc/28/24/73/563282473.db2.gz JJWYAUPECUQDGU-NSHDSACASA-N -1 3 384.889 2.520 20 10 GFCDHM CS(=O)(=O)[N-]c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000371601542 563282476 /nfs/dbraw/zinc/28/24/76/563282476.db2.gz JJWYAUPECUQDGU-NSHDSACASA-N -1 3 384.889 2.520 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](c1cncn1C)N(C)C ZINC000281118619 563366911 /nfs/dbraw/zinc/36/69/11/563366911.db2.gz XJQPPKXBTDOLQW-MRXNPFEDSA-N -1 3 395.301 2.540 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCc1cccs1 ZINC000283875190 563457621 /nfs/dbraw/zinc/45/76/21/563457621.db2.gz GRQORSDBRWJCOL-UHFFFAOYSA-N -1 3 397.294 2.881 20 10 GFCDHM COc1cc(Br)cc(CN2CCOC[C@@H]2[C@H]2CCCC2=O)c1[O-] ZINC000365152093 563775502 /nfs/dbraw/zinc/77/55/02/563775502.db2.gz NPQNXLOHJIXGJD-ZIAGYGMSSA-N -1 3 384.270 2.733 20 10 GFCDHM COc1ccc(O)c(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737105040 598902190 /nfs/dbraw/zinc/90/21/90/598902190.db2.gz CREZUFMMMNJXHZ-UHFFFAOYSA-N -1 3 390.856 2.721 20 10 GFCDHM COc1ccc(O)c(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737105040 598902191 /nfs/dbraw/zinc/90/21/91/598902191.db2.gz CREZUFMMMNJXHZ-UHFFFAOYSA-N -1 3 390.856 2.721 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736531365 598556348 /nfs/dbraw/zinc/55/63/48/598556348.db2.gz GCEZRRKRWTXCMC-UHFFFAOYSA-N -1 3 398.442 2.547 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000736532416 598561316 /nfs/dbraw/zinc/56/13/16/598561316.db2.gz QZVIUPNCLITQQI-UHFFFAOYSA-N -1 3 397.458 2.851 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000736532416 598561317 /nfs/dbraw/zinc/56/13/17/598561317.db2.gz QZVIUPNCLITQQI-UHFFFAOYSA-N -1 3 397.458 2.851 20 10 GFCDHM COc1ccc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)cn1 ZINC000737103352 598609294 /nfs/dbraw/zinc/60/92/94/598609294.db2.gz HRCJJCIVMHMHEY-UHFFFAOYSA-N -1 3 389.419 2.930 20 10 GFCDHM CCn1cc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)cn1 ZINC000736721876 598609953 /nfs/dbraw/zinc/60/99/53/598609953.db2.gz FYFIZYYJYPNCJH-UHFFFAOYSA-N -1 3 376.424 2.743 20 10 GFCDHM CCOC1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CC1 ZINC000736609191 598611491 /nfs/dbraw/zinc/61/14/91/598611491.db2.gz OVPMFTSZUOGBOY-UHFFFAOYSA-N -1 3 394.479 2.915 20 10 GFCDHM CCc1cc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n[nH]1 ZINC000736678130 598618949 /nfs/dbraw/zinc/61/89/49/598618949.db2.gz TZKKLYNLINXDRS-UHFFFAOYSA-N -1 3 376.424 2.812 20 10 GFCDHM CN(C)c1ccc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736774821 598647757 /nfs/dbraw/zinc/64/77/57/598647757.db2.gz YSCQTYYVLSHCDJ-UHFFFAOYSA-N -1 3 394.479 2.798 20 10 GFCDHM CN(C)c1ccc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736774821 598647759 /nfs/dbraw/zinc/64/77/59/598647759.db2.gz YSCQTYYVLSHCDJ-UHFFFAOYSA-N -1 3 394.479 2.798 20 10 GFCDHM COc1ccc(O)c([C@@H](C)NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737106153 598779142 /nfs/dbraw/zinc/77/91/42/598779142.db2.gz NYMIYKFOETXWDJ-GFCCVEGCSA-N -1 3 399.476 2.692 20 10 GFCDHM COc1ccc(O)c([C@@H](C)NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737106153 598779144 /nfs/dbraw/zinc/77/91/44/598779144.db2.gz NYMIYKFOETXWDJ-GFCCVEGCSA-N -1 3 399.476 2.692 20 10 GFCDHM CN(Cc1ccccc1O)CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C ZINC000737409727 600312992 /nfs/dbraw/zinc/31/29/92/600312992.db2.gz XOJGWYQTRRHSJX-IBGZPJMESA-N -1 3 381.432 2.559 20 10 GFCDHM Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257686 607629255 /nfs/dbraw/zinc/62/92/55/607629255.db2.gz LPJMTKXDOHZCHZ-NVXWUHKLSA-N -1 3 394.479 2.507 20 10 GFCDHM COc1ccc(N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)CC2)cc1 ZINC000826209105 607680295 /nfs/dbraw/zinc/68/02/95/607680295.db2.gz MTTMHXKNUJPVDX-UHFFFAOYSA-N -1 3 392.463 2.583 20 10 GFCDHM COc1ccc(N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)cc3C)CC2)cc1 ZINC000826209105 607680297 /nfs/dbraw/zinc/68/02/97/607680297.db2.gz MTTMHXKNUJPVDX-UHFFFAOYSA-N -1 3 392.463 2.583 20 10 GFCDHM Cc1cc(C(=O)N[C@@H]2CCCSC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168763 606364531 /nfs/dbraw/zinc/36/45/31/606364531.db2.gz RGSVRTDBQBFOPM-OAHLLOKOSA-N -1 3 382.493 2.900 20 10 GFCDHM CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)[C@H]1CCCO1 ZINC000825133400 607913014 /nfs/dbraw/zinc/91/30/14/607913014.db2.gz MMRJNBICLPCMLP-RTBURBONSA-N -1 3 394.479 2.962 20 10 GFCDHM Cc1cc(C(=O)N[C@H]2CC[C@H](CO)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260408 607941384 /nfs/dbraw/zinc/94/13/84/607941384.db2.gz MUOKLLKOGGZPTN-JCNLHEQBSA-N -1 3 394.479 2.555 20 10 GFCDHM Cc1cc(C(=O)NCC(=O)C(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258939 608078953 /nfs/dbraw/zinc/07/89/53/608078953.db2.gz BQABURGQTOSXLC-UHFFFAOYSA-N -1 3 380.452 2.619 20 10 GFCDHM O=C(c1ccccn1)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824575492 660397511 /nfs/dbraw/zinc/39/75/11/660397511.db2.gz GMZTYUVVNLSDDP-UHFFFAOYSA-N -1 3 376.254 2.508 20 10 GFCDHM O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000757956082 655920079 /nfs/dbraw/zinc/92/00/79/655920079.db2.gz IJRRAPULOPXHJT-UHFFFAOYSA-N -1 3 388.804 2.656 20 10 GFCDHM Cc1cc([O-])c(CNCc2nn(C)cc2I)c(Cl)c1 ZINC000840949746 661216140 /nfs/dbraw/zinc/21/61/40/661216140.db2.gz BJKWVPMAXJOCSY-UHFFFAOYSA-N -1 3 391.640 2.982 20 10 GFCDHM COc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(Br)c1 ZINC000765080572 656129837 /nfs/dbraw/zinc/12/98/37/656129837.db2.gz PRJBAYYJJQGFMA-UHFFFAOYSA-N -1 3 384.211 2.795 20 10 GFCDHM Cc1cc(Br)c([O-])c(CNc2ccc(C(=O)NCCO)cc2)c1 ZINC000787787413 657598290 /nfs/dbraw/zinc/59/82/90/657598290.db2.gz BHLRHBZIYQEJHH-UHFFFAOYSA-N -1 3 379.254 2.797 20 10 GFCDHM O=C(NCc1noc(-c2cccc(Br)c2)n1)c1cccc(O)c1[O-] ZINC000791097867 658059449 /nfs/dbraw/zinc/05/94/49/658059449.db2.gz NPDNAONFVDYRSG-UHFFFAOYSA-N -1 3 390.193 2.840 20 10 GFCDHM O=C(NCCOc1ccc(I)cc1)c1cccc(O)c1[O-] ZINC000801321297 659389284 /nfs/dbraw/zinc/38/92/84/659389284.db2.gz HKWANUSAXXEAJP-UHFFFAOYSA-N -1 3 399.184 2.511 20 10 GFCDHM Cn1ncc(NCc2cc(Br)ccc2[O-])c(Br)c1=O ZINC000804828207 659687224 /nfs/dbraw/zinc/68/72/24/659687224.db2.gz UTAFKOUTYFXCPQ-UHFFFAOYSA-N -1 3 389.047 2.623 20 10 GFCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCC(F)(F)CC1 ZINC000848350866 661642880 /nfs/dbraw/zinc/64/28/80/661642880.db2.gz UKUZKLDOOHTHGM-SNVBAGLBSA-N -1 3 376.425 2.708 20 10 GFCDHM O=S1(=O)Cc2ccccc2[C@H](NCc2ccc(Br)cc2[O-])C1 ZINC000857058381 662061842 /nfs/dbraw/zinc/06/18/42/662061842.db2.gz NQBZWKBHIKEUCZ-OAHLLOKOSA-N -1 3 382.279 2.914 20 10 GFCDHM Cn1nccc1C(NCc1c([O-])cccc1Br)c1ccnn1C ZINC000858322958 662108411 /nfs/dbraw/zinc/10/84/11/662108411.db2.gz BEQVOQGZPIKQKY-UHFFFAOYSA-N -1 3 376.258 2.501 20 10 GFCDHM O=C(c1cccc(O)c1)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862238376 662275697 /nfs/dbraw/zinc/27/56/97/662275697.db2.gz UXXVKGUNDDEQID-UHFFFAOYSA-N -1 3 391.265 2.818 20 10 GFCDHM CCC1(CC)CN(Cc2c([O-])cccc2Br)CCS1(=O)=O ZINC000862333133 662281371 /nfs/dbraw/zinc/28/13/71/662281371.db2.gz OADWMUMKRDWHLH-UHFFFAOYSA-N -1 3 376.316 2.944 20 10 GFCDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](C)Cc1ccsc1 ZINC000187363898 552414093 /nfs/dbraw/zinc/41/40/93/552414093.db2.gz HIHMIMNIWAAJLV-GFCCVEGCSA-N -1 3 382.507 2.919 20 10 GFCDHM Cc1cc(Br)cc(CN2CCC(N3C(=O)CCCC3=O)CC2)c1[O-] ZINC000372462778 563307929 /nfs/dbraw/zinc/30/79/29/563307929.db2.gz GHDIWKJZMJLLCM-UHFFFAOYSA-N -1 3 395.297 2.967 20 10 GFCDHM CC[C@H]1CN(Cc2cc(Br)cc(OC)c2[O-])C[C@@]2(CCOC2)O1 ZINC000373481949 563340330 /nfs/dbraw/zinc/34/03/30/563340330.db2.gz RCVINIQKZGSOQE-WMLDXEAASA-N -1 3 386.286 2.933 20 10 GFCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)SC(=S)N1CCc1cccnc1 ZINC000738291595 598530986 /nfs/dbraw/zinc/53/09/86/598530986.db2.gz VMEQQIQXCVJUDD-XNTDXEJSSA-N -1 3 394.485 2.706 20 10 GFCDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)SC(=S)N1CCc1cccnc1 ZINC000738291595 598530988 /nfs/dbraw/zinc/53/09/88/598530988.db2.gz VMEQQIQXCVJUDD-XNTDXEJSSA-N -1 3 394.485 2.706 20 10 GFCDHM Cc1cc(C(=O)N2CCCSCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235393 598610733 /nfs/dbraw/zinc/61/07/33/598610733.db2.gz XAOLPAVWLJWATN-UHFFFAOYSA-N -1 3 382.493 2.853 20 10 GFCDHM Cc1cc(C(=O)NCc2csc(C)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737476819 598610907 /nfs/dbraw/zinc/61/09/07/598610907.db2.gz FGOAWWXMUYHLEV-UHFFFAOYSA-N -1 3 393.476 2.969 20 10 GFCDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000820543228 599488959 /nfs/dbraw/zinc/48/89/59/599488959.db2.gz WYRUOGQSUCNSGQ-ZDUSSCGKSA-N -1 3 393.447 2.535 20 10 GFCDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000820543228 599488960 /nfs/dbraw/zinc/48/89/60/599488960.db2.gz WYRUOGQSUCNSGQ-ZDUSSCGKSA-N -1 3 393.447 2.535 20 10 GFCDHM FC(F)Oc1ccc(N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000822731426 606069037 /nfs/dbraw/zinc/06/90/37/606069037.db2.gz DAJKHBVVFZOQMS-UHFFFAOYSA-N -1 3 387.394 2.944 20 10 GFCDHM FC(F)Oc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000822731426 606069041 /nfs/dbraw/zinc/06/90/41/606069041.db2.gz DAJKHBVVFZOQMS-UHFFFAOYSA-N -1 3 387.394 2.944 20 10 GFCDHM Cc1cc(C(=O)OC[C@H]2CCCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822184663 607081826 /nfs/dbraw/zinc/08/18/26/607081826.db2.gz ZAYFFPXDCRHFGV-HNNXBMFYSA-N -1 3 381.436 2.858 20 10 GFCDHM CCCCCN(CCO)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825276030 607943610 /nfs/dbraw/zinc/94/36/10/607943610.db2.gz NGGDRUVVDMUYIN-UHFFFAOYSA-N -1 3 396.495 2.899 20 10 GFCDHM CCOc1cccc(CNc2cc(-c3nn[n-]n3)ccc2OCCOC)c1O ZINC000825648985 608136162 /nfs/dbraw/zinc/13/61/62/608136162.db2.gz ISUJHPLMBPUWGP-UHFFFAOYSA-N -1 3 385.424 2.608 20 10 GFCDHM O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476174 609177069 /nfs/dbraw/zinc/17/70/69/609177069.db2.gz CFMCLNUPIIMGJY-INIZCTEOSA-N -1 3 398.854 2.511 20 10 GFCDHM COc1cccc(CNc2ccc(Br)cc2-c2nnn[n-]2)c1O ZINC000826215958 660451507 /nfs/dbraw/zinc/45/15/07/660451507.db2.gz DOTJTWZSDCOMCO-UHFFFAOYSA-N -1 3 376.214 2.956 20 10 GFCDHM COc1cccc(CNc2ccc(Br)cc2-c2nn[n-]n2)c1O ZINC000826215958 660451508 /nfs/dbraw/zinc/45/15/08/660451508.db2.gz DOTJTWZSDCOMCO-UHFFFAOYSA-N -1 3 376.214 2.956 20 10 GFCDHM Cc1cc([O-])c(CNCc2nn(C)cc2I)cc1Cl ZINC000826089295 660449462 /nfs/dbraw/zinc/44/94/62/660449462.db2.gz CQBGEIXNQVVNQJ-UHFFFAOYSA-N -1 3 391.640 2.982 20 10 GFCDHM COC(=O)CN(CC[S@](=O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000111238331 655167014 /nfs/dbraw/zinc/16/70/14/655167014.db2.gz YQUZSMHMHBQKOY-RUZDIDTESA-N -1 3 381.881 2.828 20 10 GFCDHM CNc1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)s1 ZINC000764856138 656121498 /nfs/dbraw/zinc/12/14/98/656121498.db2.gz SHBUHRVYVKYXGY-CYBMUJFWSA-N -1 3 380.901 2.938 20 10 GFCDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3cccnc3Cl)c2)CC1 ZINC000769849676 656295357 /nfs/dbraw/zinc/29/53/57/656295357.db2.gz ZBCZROBRAJZUQV-UHFFFAOYSA-N -1 3 380.901 2.678 20 10 GFCDHM Cc1cc(Br)c([O-])c(CN2CCc3ccc(S(N)(=O)=O)cc32)c1 ZINC000792173765 658244581 /nfs/dbraw/zinc/24/45/81/658244581.db2.gz BSNZSJVZIPIWNX-UHFFFAOYSA-N -1 3 397.294 2.673 20 10 GFCDHM O=C1NCCN(Cc2cc(F)ccc2[O-])[C@@H]1c1ccc(Br)cc1 ZINC000793383953 658392372 /nfs/dbraw/zinc/39/23/72/658392372.db2.gz KAHNTDIZBHWSIP-MRXNPFEDSA-N -1 3 379.229 2.967 20 10 GFCDHM Cc1nn(C)c(N2CCOCC2)c1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000809775833 659938768 /nfs/dbraw/zinc/93/87/68/659938768.db2.gz KWVPWOOKFOAWIN-UHFFFAOYSA-N -1 3 385.295 2.867 20 10 GFCDHM Cc1cc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1Cl ZINC000812586679 660030739 /nfs/dbraw/zinc/03/07/39/660030739.db2.gz WIBHTVBFWHKSEO-UHFFFAOYSA-N -1 3 382.869 2.698 20 10 GFCDHM COC(=O)[C@H](NCc1cc(Br)ccc1[O-])[C@H]1CCC[C@@H](OC)C1 ZINC000846108080 661533117 /nfs/dbraw/zinc/53/31/17/661533117.db2.gz MXSOMKWYEMJHFL-SGIREYDYSA-N -1 3 386.286 2.991 20 10 GFCDHM COCCCNC(=O)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000092361835 551194639 /nfs/dbraw/zinc/19/46/39/551194639.db2.gz UZRWNMAZHYKVDN-UHFFFAOYSA-N -1 3 385.302 2.519 20 10 GFCDHM CN(Cc1cc(Br)ccc1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646512 551194862 /nfs/dbraw/zinc/19/48/62/551194862.db2.gz MDQILFAYKYDZPX-HIFRSBDPSA-N -1 3 376.316 2.942 20 10 GFCDHM CCC(=O)N1CC[C@H](C(=O)N(CC)Cc2cc(Br)ccc2[O-])C1 ZINC000119622564 551218031 /nfs/dbraw/zinc/21/80/31/551218031.db2.gz YMXYMAJTBAQMPI-LBPRGKRZSA-N -1 3 383.286 2.762 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CC1CCOCC1 ZINC000174065468 552098056 /nfs/dbraw/zinc/09/80/56/552098056.db2.gz VUFHODGMTFOJON-UHFFFAOYSA-N -1 3 392.315 2.733 20 10 GFCDHM C[C@]1(c2cccs2)C[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000371606052 563282862 /nfs/dbraw/zinc/28/28/62/563282862.db2.gz SYYVGCRQVBSUCV-DIFFPNOSSA-N -1 3 380.491 2.533 20 10 GFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ncncc1Cl ZINC000363725285 563731706 /nfs/dbraw/zinc/73/17/06/563731706.db2.gz NFRDGMUURRGQSZ-ZDUSSCGKSA-N -1 3 381.263 2.883 20 10 GFCDHM COc1ccc(N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C(C)C)cc1F ZINC000737100502 598259232 /nfs/dbraw/zinc/25/92/32/598259232.db2.gz YHKICQVSNSSQRE-UHFFFAOYSA-N -1 3 384.415 2.868 20 10 GFCDHM COc1ccc(N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C(C)C)cc1F ZINC000737100502 598259233 /nfs/dbraw/zinc/25/92/33/598259233.db2.gz YHKICQVSNSSQRE-UHFFFAOYSA-N -1 3 384.415 2.868 20 10 GFCDHM COc1cc(O)c(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1OC ZINC000833729791 604545132 /nfs/dbraw/zinc/54/51/32/604545132.db2.gz ZQZGKLMSOYRHOG-AWEZNQCLSA-N -1 3 386.448 2.818 20 10 GFCDHM COc1ccc(O)c([C@H](C)NCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000833733146 605127101 /nfs/dbraw/zinc/12/71/01/605127101.db2.gz ABEFBMMKOIHSIG-JTQLQIEISA-N -1 3 390.461 2.939 20 10 GFCDHM COc1ccc(N(C)CC(=O)Nc2sccc2-c2nnn[n-]2)cc1Cl ZINC000821827430 606881762 /nfs/dbraw/zinc/88/17/62/606881762.db2.gz ACLLYAVUVMZLNJ-UHFFFAOYSA-N -1 3 378.845 2.665 20 10 GFCDHM COc1ccc(N(C)CC(=O)Nc2sccc2-c2nn[n-]n2)cc1Cl ZINC000821827430 606881764 /nfs/dbraw/zinc/88/17/64/606881764.db2.gz ACLLYAVUVMZLNJ-UHFFFAOYSA-N -1 3 378.845 2.665 20 10 GFCDHM Cc1cc(C(=O)NCc2ccc(F)cn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176593 606953654 /nfs/dbraw/zinc/95/36/54/606953654.db2.gz MARAAYNPQSSEFD-UHFFFAOYSA-N -1 3 391.410 2.738 20 10 GFCDHM Cc1cc(C(=O)N[C@@H](C)C[C@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167744 607134738 /nfs/dbraw/zinc/13/47/38/607134738.db2.gz HHZOZWNKVAXESK-XJKSGUPXSA-N -1 3 394.479 2.819 20 10 GFCDHM Cc1cc(C(=O)N2CCC[C@@H]2C[C@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258040 607779592 /nfs/dbraw/zinc/77/95/92/607779592.db2.gz XNVCTSRXZSJDOJ-KBXCAEBGSA-N -1 3 394.479 2.650 20 10 GFCDHM CC[C@@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)[C@@H]1CCCO1 ZINC000825133397 607912959 /nfs/dbraw/zinc/91/29/59/607912959.db2.gz MMRJNBICLPCMLP-MOPGFXCFSA-N -1 3 394.479 2.962 20 10 GFCDHM CCC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CCO1 ZINC000825252131 608010417 /nfs/dbraw/zinc/01/04/17/608010417.db2.gz GUFZKHCJIRSBLH-SFHVURJKSA-N -1 3 394.479 2.915 20 10 GFCDHM CO[C@@H]1CCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826146490 608568724 /nfs/dbraw/zinc/56/87/24/608568724.db2.gz WPRZMFPFPZWKPR-VQIMIIECSA-N -1 3 394.479 2.819 20 10 GFCDHM Cc1ccnc(N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826309271 609581091 /nfs/dbraw/zinc/58/10/91/609581091.db2.gz JUPHUQALSBFKGQ-GOSISDBHSA-N -1 3 393.495 2.822 20 10 GFCDHM Cc1ccnc(N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826309271 609581092 /nfs/dbraw/zinc/58/10/92/609581092.db2.gz JUPHUQALSBFKGQ-GOSISDBHSA-N -1 3 393.495 2.822 20 10 GFCDHM CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(Br)ccc2[O-])cn1 ZINC000754153891 655864397 /nfs/dbraw/zinc/86/43/97/655864397.db2.gz KGQGKAJCOOJNBM-WNSKOXEYSA-N -1 3 398.326 2.677 20 10 GFCDHM CCOC(=O)[C@H](Cc1ccccn1)NCc1cc(Br)ccc1[O-] ZINC000763479375 656084234 /nfs/dbraw/zinc/08/42/34/656084234.db2.gz KBJVOQNOVHGHIU-HNNXBMFYSA-N -1 3 379.254 2.814 20 10 GFCDHM CC(C)[C@@H](C(=O)NCc1cccc(Br)c1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000765727273 656148974 /nfs/dbraw/zinc/14/89/74/656148974.db2.gz LEECSHZZPWMQTO-ZENOOKHLSA-N -1 3 399.329 2.905 20 10 GFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CSCCS1 ZINC000771055745 656338649 /nfs/dbraw/zinc/33/86/49/656338649.db2.gz DGLVCRCUHAXVBG-GDBMZVCRSA-N -1 3 386.970 2.975 20 10 GFCDHM CCc1noc(C[C@@]2(O)CCCN(Cc3cccc(Br)c3[O-])C2)n1 ZINC000856592888 662037213 /nfs/dbraw/zinc/03/72/13/662037213.db2.gz MXSRJAGPCLFGRN-KRWDZBQOSA-N -1 3 396.285 2.670 20 10 GFCDHM C[S@](=O)(=NS(=O)(=O)[N-]CCCSc1nccs1)c1ccccc1 ZINC000866782726 662498244 /nfs/dbraw/zinc/49/82/44/662498244.db2.gz XWZJAIZYUIZUFB-JOCHJYFZSA-N -1 3 391.565 2.617 20 10 GFCDHM CN(C)Cc1ccnc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000880601068 662963839 /nfs/dbraw/zinc/96/38/39/662963839.db2.gz KUZRSGNIFBBRCN-UHFFFAOYSA-N -1 3 379.258 2.933 20 10 GFCDHM CN(C)[S@@](C)(=O)=NCC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000898399169 663648379 /nfs/dbraw/zinc/64/83/79/663648379.db2.gz QJXJFWLFGXXDOB-DEOSSOPVSA-N -1 3 377.913 2.971 20 10 GFCDHM CCC(=O)N1CC[C@@H](NC(=O)N(CC)Cc2cc(Br)ccc2[O-])C1 ZINC000151737651 551420305 /nfs/dbraw/zinc/42/03/05/551420305.db2.gz YBLSVNAIMOZDQW-CQSZACIVSA-N -1 3 398.301 2.697 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CC2CCC2)CC(F)(F)F)c1 ZINC000179740475 552201834 /nfs/dbraw/zinc/20/18/34/552201834.db2.gz SSPMGKZZDWXUFQ-UHFFFAOYSA-N -1 3 380.388 2.568 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ccn(CCOC)n1 ZINC000190117170 552487598 /nfs/dbraw/zinc/48/75/98/552487598.db2.gz WTVZKWSPALEMMQ-UHFFFAOYSA-N -1 3 382.258 2.660 20 10 GFCDHM NC(=O)[C@H]1CC[C@H](C(F)(F)F)N(Cc2cc(Br)ccc2[O-])C1 ZINC000371397614 563276300 /nfs/dbraw/zinc/27/63/00/563276300.db2.gz AGHDNWGFWALZCH-QPUJVOFHSA-N -1 3 381.192 2.783 20 10 GFCDHM C[C@H](COCC(F)(F)F)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277863069 563229462 /nfs/dbraw/zinc/22/94/62/563229462.db2.gz OCOAOPSLYHKDGA-SECBINFHSA-N -1 3 380.750 2.777 20 10 GFCDHM Cc1cc(C(=O)Nc2cn(C)nc2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737513370 599042732 /nfs/dbraw/zinc/04/27/32/599042732.db2.gz KYCRSWWHTINENE-UHFFFAOYSA-N -1 3 376.424 2.568 20 10 GFCDHM FC(F)Oc1ccc(N2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)cc1 ZINC000822731248 599084616 /nfs/dbraw/zinc/08/46/16/599084616.db2.gz BAEUHRRTDIJJLB-LBPRGKRZSA-N -1 3 387.394 2.944 20 10 GFCDHM FC(F)Oc1ccc(N2CCC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)cc1 ZINC000822731248 599084619 /nfs/dbraw/zinc/08/46/19/599084619.db2.gz BAEUHRRTDIJJLB-LBPRGKRZSA-N -1 3 387.394 2.944 20 10 GFCDHM COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737106756 598772903 /nfs/dbraw/zinc/77/29/03/598772903.db2.gz XJOMJMYIGBQDED-VXGBXAGGSA-N -1 3 382.424 2.702 20 10 GFCDHM COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737106756 598772905 /nfs/dbraw/zinc/77/29/05/598772905.db2.gz XJOMJMYIGBQDED-VXGBXAGGSA-N -1 3 382.424 2.702 20 10 GFCDHM Cc1ncccc1C=C1SC(=S)N(c2ccccc2-c2nnn[n-]2)C1=O ZINC000737503275 598779644 /nfs/dbraw/zinc/77/96/44/598779644.db2.gz SORKTPUNTUAHEK-NTEUORMPSA-N -1 3 380.458 2.976 20 10 GFCDHM Cc1ncccc1C=C1SC(=S)N(c2ccccc2-c2nn[n-]n2)C1=O ZINC000737503275 598779646 /nfs/dbraw/zinc/77/96/46/598779646.db2.gz SORKTPUNTUAHEK-NTEUORMPSA-N -1 3 380.458 2.976 20 10 GFCDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736819101 598791894 /nfs/dbraw/zinc/79/18/94/598791894.db2.gz HXZRETBKDNXFTI-UHFFFAOYSA-N -1 3 384.871 2.993 20 10 GFCDHM CN(Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000736819101 598791896 /nfs/dbraw/zinc/79/18/96/598791896.db2.gz HXZRETBKDNXFTI-UHFFFAOYSA-N -1 3 384.871 2.993 20 10 GFCDHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(OC)cc1 ZINC000821230692 599636775 /nfs/dbraw/zinc/63/67/75/599636775.db2.gz NWPNFWKJABIDFW-UHFFFAOYSA-N -1 3 377.408 2.952 20 10 GFCDHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ccc(OC)cc1 ZINC000821230692 599636776 /nfs/dbraw/zinc/63/67/76/599636776.db2.gz NWPNFWKJABIDFW-UHFFFAOYSA-N -1 3 377.408 2.952 20 10 GFCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC(=S)N1c1cccnc1 ZINC000823504836 607457186 /nfs/dbraw/zinc/45/71/86/607457186.db2.gz VFXMMVZVQOGFIS-NTUHNPAUSA-N -1 3 384.421 2.807 20 10 GFCDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC(=S)N1c1cccnc1 ZINC000823504836 607457187 /nfs/dbraw/zinc/45/71/87/607457187.db2.gz VFXMMVZVQOGFIS-NTUHNPAUSA-N -1 3 384.421 2.807 20 10 GFCDHM COc1ccc(N(C)CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)cc1Cl ZINC000826208895 607640809 /nfs/dbraw/zinc/64/08/09/607640809.db2.gz FGCXBYUZOWBJTK-UHFFFAOYSA-N -1 3 390.831 2.813 20 10 GFCDHM CC(C)N1CCN(c2cccc(NC(=O)c3cccc(OCC(=O)[O-])c3)c2)CC1 ZINC000833499707 604471038 /nfs/dbraw/zinc/47/10/38/604471038.db2.gz PWAQOFRAUTXUKU-UHFFFAOYSA-N -1 3 397.475 2.933 20 10 GFCDHM O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823229398 606349729 /nfs/dbraw/zinc/34/97/29/606349729.db2.gz PGDNBAPDRCNHSO-UHFFFAOYSA-N -1 3 382.399 2.912 20 10 GFCDHM O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823229398 606349730 /nfs/dbraw/zinc/34/97/30/606349730.db2.gz PGDNBAPDRCNHSO-UHFFFAOYSA-N -1 3 382.399 2.912 20 10 GFCDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(Cl)ccc1O ZINC000826162259 608136438 /nfs/dbraw/zinc/13/64/38/608136438.db2.gz URBKMSUELQJFKC-UHFFFAOYSA-N -1 3 375.816 2.863 20 10 GFCDHM Cc1cc(C(=O)OCCC2OCCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826261957 609239359 /nfs/dbraw/zinc/23/93/59/609239359.db2.gz ZVUBAHHTBAEESK-UHFFFAOYSA-N -1 3 397.435 2.584 20 10 GFCDHM CCn1cc([C@H]2C[S@@](=O)CCN2Cc2ccc(Br)cc2[O-])cn1 ZINC000825693379 660437850 /nfs/dbraw/zinc/43/78/50/660437850.db2.gz YMUKBGZFZRQDGF-CMJOXMDJSA-N -1 3 398.326 2.677 20 10 GFCDHM Cc1ccc(SCCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000055133362 654769231 /nfs/dbraw/zinc/76/92/31/654769231.db2.gz QYWJSBLHYSKNGC-UHFFFAOYSA-N -1 3 380.491 2.594 20 10 GFCDHM [O-]c1c(Br)cccc1CNc1cc(N2CCCC[C@@H]2CO)ncn1 ZINC000277476576 655321794 /nfs/dbraw/zinc/32/17/94/655321794.db2.gz QPBUEZAXDKVZML-CYBMUJFWSA-N -1 3 393.285 2.908 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(F)cc2Cl)c1 ZINC000733367087 655613535 /nfs/dbraw/zinc/61/35/35/655613535.db2.gz IJJQNTDRFWCCPJ-UHFFFAOYSA-N -1 3 386.832 2.529 20 10 GFCDHM CC(C)[C@H](C(=O)NCc1cccc(Br)c1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000765727263 656149000 /nfs/dbraw/zinc/14/90/00/656149000.db2.gz LEECSHZZPWMQTO-DVOMOZLQSA-N -1 3 399.329 2.905 20 10 GFCDHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000773230247 656405068 /nfs/dbraw/zinc/40/50/68/656405068.db2.gz FDHGFPZAUYSKNN-UHFFFAOYSA-N -1 3 384.479 2.646 20 10 GFCDHM COC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cc1 ZINC000776328777 656731015 /nfs/dbraw/zinc/73/10/15/656731015.db2.gz ZYBOJLIKESSIDM-CYBMUJFWSA-N -1 3 394.221 2.895 20 10 GFCDHM COC(=O)[C@H](NCc1cc(Br)ccc1[O-])c1ccc(OC)c(O)c1 ZINC000792181119 658247100 /nfs/dbraw/zinc/24/71/00/658247100.db2.gz OTDASDRXXMAHTF-MRXNPFEDSA-N -1 3 396.237 2.873 20 10 GFCDHM CN(CCNCc1c([O-])ccc(Cl)c1F)S(=O)(=O)c1ccc(F)cc1 ZINC000797880588 659062976 /nfs/dbraw/zinc/06/29/76/659062976.db2.gz YYSUSXQKESZHPD-UHFFFAOYSA-N -1 3 390.839 2.734 20 10 GFCDHM COC(=O)c1sc(S(=O)(=O)[N-]CCc2ccc(N)cc2)c(C)c1Cl ZINC000842823380 661356442 /nfs/dbraw/zinc/35/64/42/661356442.db2.gz RHBCCMLKKAYLRQ-UHFFFAOYSA-N -1 3 388.898 2.600 20 10 GFCDHM Cn1nccc1C(NCc1cccc(Br)c1[O-])c1ccnn1C ZINC000858322163 662108385 /nfs/dbraw/zinc/10/83/85/662108385.db2.gz TXISQYURZIAMBG-UHFFFAOYSA-N -1 3 376.258 2.501 20 10 GFCDHM CN(Cc1c([O-])cccc1Br)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000862245542 662276661 /nfs/dbraw/zinc/27/66/61/662276661.db2.gz RVKUHTCRZFLMGG-NSHDSACASA-N -1 3 381.192 2.750 20 10 GFCDHM O=C(NCC(F)F)[C@@H]1CCCCN1Cc1c([O-])cccc1Br ZINC000862386902 662284174 /nfs/dbraw/zinc/28/41/74/662284174.db2.gz CUCHBMZQBWOYPJ-LBPRGKRZSA-N -1 3 377.229 2.891 20 10 GFCDHM O=C(NCC(F)(F)F)[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894496032 663465288 /nfs/dbraw/zinc/46/52/88/663465288.db2.gz WXGLQJRWQGBCDX-QMMMGPOBSA-N -1 3 399.182 2.794 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CCC(F)(F)F)CC2CC2)c1 ZINC000179768305 552202575 /nfs/dbraw/zinc/20/25/75/552202575.db2.gz FDGVLJINIROTGI-UHFFFAOYSA-N -1 3 380.388 2.568 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ccsc3)CC2)c1 ZINC000188714123 552453554 /nfs/dbraw/zinc/45/35/54/552453554.db2.gz UTMKIIDNNOLLCZ-UHFFFAOYSA-N -1 3 380.491 2.845 20 10 GFCDHM CCS(=O)(=O)C1CCN(Cc2cc(Br)cc(C)c2[O-])CC1 ZINC000195163180 553040084 /nfs/dbraw/zinc/04/00/84/553040084.db2.gz OWTGHKSYRLKAIB-UHFFFAOYSA-N -1 3 376.316 2.862 20 10 GFCDHM COC(=O)CCn1nc(C)c(CNCc2cccc(Br)c2[O-])c1C ZINC000278348051 563250788 /nfs/dbraw/zinc/25/07/88/563250788.db2.gz IIGZSKOBXNIMEE-UHFFFAOYSA-N -1 3 396.285 2.821 20 10 GFCDHM CC(C)n1nc2c(cc1=O)CN(Cc1cc(Br)ccc1[O-])CC2 ZINC000360078226 563691431 /nfs/dbraw/zinc/69/14/31/563691431.db2.gz VVYPXTWIYJTCES-UHFFFAOYSA-N -1 3 378.270 2.851 20 10 GFCDHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821002033 599157746 /nfs/dbraw/zinc/15/77/46/599157746.db2.gz UOLZNQJOHWRWTO-RHSMWYFYSA-N -1 3 394.479 2.914 20 10 GFCDHM O=[N+]([O-])c1cccc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000738370597 598317645 /nfs/dbraw/zinc/31/76/45/598317645.db2.gz WIYQWRJNPURWEO-UHFFFAOYSA-N -1 3 390.816 2.742 20 10 GFCDHM O=[N+]([O-])c1cccc(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000738370597 598317646 /nfs/dbraw/zinc/31/76/46/598317646.db2.gz WIYQWRJNPURWEO-UHFFFAOYSA-N -1 3 390.816 2.742 20 10 GFCDHM COc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)cc1 ZINC000737098429 598352819 /nfs/dbraw/zinc/35/28/19/598352819.db2.gz CZKJOVHIKMPKAY-UHFFFAOYSA-N -1 3 395.423 2.864 20 10 GFCDHM COc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)cc1 ZINC000737098429 598352821 /nfs/dbraw/zinc/35/28/21/598352821.db2.gz CZKJOVHIKMPKAY-UHFFFAOYSA-N -1 3 395.423 2.864 20 10 GFCDHM COc1ccc(N2CCC(NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737100489 598358091 /nfs/dbraw/zinc/35/80/91/598358091.db2.gz XXOGPSANJOFSJI-UHFFFAOYSA-N -1 3 393.451 2.666 20 10 GFCDHM COc1ccc(N2CCC(NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737100489 598358093 /nfs/dbraw/zinc/35/80/93/598358093.db2.gz XXOGPSANJOFSJI-UHFFFAOYSA-N -1 3 393.451 2.666 20 10 GFCDHM Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233828 598609037 /nfs/dbraw/zinc/60/90/37/598609037.db2.gz IAOCTAAGQWHYSX-KBPBESRZSA-N -1 3 380.452 2.524 20 10 GFCDHM Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233315 598610510 /nfs/dbraw/zinc/61/05/10/598610510.db2.gz ISWPTPDTJQXGSE-SCLBCKFNSA-N -1 3 380.452 2.572 20 10 GFCDHM Cc1cc(C(=O)NCc2cccc(C)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737393245 598610883 /nfs/dbraw/zinc/61/08/83/598610883.db2.gz GMKMLRZEUKMDSX-UHFFFAOYSA-N -1 3 387.447 2.908 20 10 GFCDHM Cc1cc(CNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)no1 ZINC000737263081 598612066 /nfs/dbraw/zinc/61/20/66/598612066.db2.gz AYXITMLFKBLGKA-UHFFFAOYSA-N -1 3 377.408 2.501 20 10 GFCDHM Cc1cc(C(=O)OCc2cnc(C)cn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737445895 598623718 /nfs/dbraw/zinc/62/37/18/598623718.db2.gz LFWADNJQAZMLMP-UHFFFAOYSA-N -1 3 389.419 2.730 20 10 GFCDHM Cc1cc(C(=O)OCC2CCOCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737240885 598750995 /nfs/dbraw/zinc/75/09/95/598750995.db2.gz HRBNAGYGPDQUGL-UHFFFAOYSA-N -1 3 381.436 2.858 20 10 GFCDHM COc1ccc(N2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)cc1 ZINC000737098850 599393565 /nfs/dbraw/zinc/39/35/65/599393565.db2.gz GRVCTFHOIPVWIM-UHFFFAOYSA-N -1 3 387.447 2.750 20 10 GFCDHM COc1ccc(N2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)cc1 ZINC000737098850 599393567 /nfs/dbraw/zinc/39/35/67/599393567.db2.gz GRVCTFHOIPVWIM-UHFFFAOYSA-N -1 3 387.447 2.750 20 10 GFCDHM CCC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821007965 599497603 /nfs/dbraw/zinc/49/76/03/599497603.db2.gz FPKCLHJSGXOKQZ-HXUWFJFHSA-N -1 3 382.468 2.555 20 10 GFCDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000833412284 604954568 /nfs/dbraw/zinc/95/45/68/604954568.db2.gz SUPBVWHZCBOFOR-KKSFZXQISA-N -1 3 383.492 2.763 20 10 GFCDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ncccc2-c2nnn[n-]2)cc1 ZINC000825879296 607849671 /nfs/dbraw/zinc/84/96/71/607849671.db2.gz KIILMKPRZHDYHW-KRWDZBQOSA-N -1 3 379.468 2.513 20 10 GFCDHM CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ncccc2-c2nn[n-]n2)cc1 ZINC000825879296 607849672 /nfs/dbraw/zinc/84/96/72/607849672.db2.gz KIILMKPRZHDYHW-KRWDZBQOSA-N -1 3 379.468 2.513 20 10 GFCDHM CC[C@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)[C@@H]1CCCO1 ZINC000825133398 607912747 /nfs/dbraw/zinc/91/27/47/607912747.db2.gz MMRJNBICLPCMLP-OALUTQOASA-N -1 3 394.479 2.962 20 10 GFCDHM Cc1cc(C(=O)NC[C@@H]2CCO[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259032 608200755 /nfs/dbraw/zinc/20/07/55/608200755.db2.gz FOVTWISIAGLEAG-GDBMZVCRSA-N -1 3 394.479 2.819 20 10 GFCDHM Cc1cc(C(=O)NCCc2ccc[nH]2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259726 608276909 /nfs/dbraw/zinc/27/69/09/608276909.db2.gz BVVDRTTWDCNKNB-UHFFFAOYSA-N -1 3 375.436 2.575 20 10 GFCDHM Cc1cc(C(=O)NCC[C@@H]2CCCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259277 609180222 /nfs/dbraw/zinc/18/02/22/609180222.db2.gz NFPMSBHJYOCZDD-SFHVURJKSA-N -1 3 394.479 2.963 20 10 GFCDHM CC(C)CN1C[C@@H]2CN(Cc3ccc(Br)cc3[O-])CCN2C1=O ZINC000825715754 660439304 /nfs/dbraw/zinc/43/93/04/660439304.db2.gz FWGZYFSTJADFMV-HNNXBMFYSA-N -1 3 382.302 2.733 20 10 GFCDHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3cncc(Cl)c3)c2)CC1 ZINC000769848943 656294950 /nfs/dbraw/zinc/29/49/50/656294950.db2.gz SQGFAOWQVJGLHS-UHFFFAOYSA-N -1 3 380.901 2.678 20 10 GFCDHM Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000773309924 656410374 /nfs/dbraw/zinc/41/03/74/656410374.db2.gz RXJWHEMFOMKGJF-OAHLLOKOSA-N -1 3 384.885 2.890 20 10 GFCDHM CCc1nsc(N2CCN(Cc3c([O-])cccc3Br)CC2)n1 ZINC000862248275 662277207 /nfs/dbraw/zinc/27/72/07/662277207.db2.gz JUXSQNXFIHIION-UHFFFAOYSA-N -1 3 383.315 2.891 20 10 GFCDHM [O-]c1cc(Br)cnc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000895450874 663514793 /nfs/dbraw/zinc/51/47/93/663514793.db2.gz DTBDHAUBFSXRGM-UHFFFAOYSA-N -1 3 392.297 2.801 20 10 GFCDHM O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(Cc3cc(Cl)ccc3[O-])C[C@H]21 ZINC000898456937 663650563 /nfs/dbraw/zinc/65/05/63/663650563.db2.gz OAOPNISCHRAQKL-ZIAGYGMSSA-N -1 3 383.819 2.987 20 10 GFCDHM C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Br)c(F)cc1[O-] ZINC000903394981 663783619 /nfs/dbraw/zinc/78/36/19/663783619.db2.gz GDTOPVPXLINUSC-ZJUUUORDSA-N -1 3 397.248 2.719 20 10 GFCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H]1CCN1C1CCOCC1 ZINC000927636521 664713126 /nfs/dbraw/zinc/71/31/26/664713126.db2.gz YPLQLCWVOPKOLV-CQSZACIVSA-N -1 3 388.295 2.752 20 10 GFCDHM CN(Cc1cc2c(cc1[O-])OCO2)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000371001337 563261939 /nfs/dbraw/zinc/26/19/39/563261939.db2.gz ZVPLTFWJYUXSDL-CYBMUJFWSA-N -1 3 381.837 2.735 20 10 GFCDHM CCn1cnnc1[C@@H]1CN([C@@H](C)c2ccc(Br)cc2[O-])CCO1 ZINC000365122428 563774593 /nfs/dbraw/zinc/77/45/93/563774593.db2.gz LMCHURZJSZXDJY-NHYWBVRUSA-N -1 3 381.274 2.901 20 10 GFCDHM COc1cc(Br)cc(CN2CCOC[C@H]2[C@@H]2CCCC2=O)c1[O-] ZINC000365152086 563775493 /nfs/dbraw/zinc/77/54/93/563775493.db2.gz NPQNXLOHJIXGJD-KBPBESRZSA-N -1 3 384.270 2.733 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@@H](C)OC3(CCOCC3)C2)c1[O-] ZINC000365790675 563793508 /nfs/dbraw/zinc/79/35/08/563793508.db2.gz UJYQNGZBTGNIMF-GFCCVEGCSA-N -1 3 386.286 2.933 20 10 GFCDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=S)NCCCN(C)c1ccccc1 ZINC000737293316 598324600 /nfs/dbraw/zinc/32/46/00/598324600.db2.gz BLAQUKAKQFDPKT-UHFFFAOYSA-N -1 3 381.509 2.988 20 10 GFCDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=S)NCCCN(C)c1ccccc1 ZINC000737293316 598324602 /nfs/dbraw/zinc/32/46/02/598324602.db2.gz BLAQUKAKQFDPKT-UHFFFAOYSA-N -1 3 381.509 2.988 20 10 GFCDHM Cc1cc(C(=O)O[C@@H]2CCCCC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238975 598623116 /nfs/dbraw/zinc/62/31/16/598623116.db2.gz WCYKRKFXYKLRIA-GOSISDBHSA-N -1 3 379.420 2.943 20 10 GFCDHM O=C(NCCc1ccc(O)c(O)c1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826439119 608469696 /nfs/dbraw/zinc/46/96/96/608469696.db2.gz GAADIODQEHYZNU-UHFFFAOYSA-N -1 3 394.218 2.557 20 10 GFCDHM O=C(NCCc1ccc(O)c(O)c1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826439119 608469698 /nfs/dbraw/zinc/46/96/98/608469698.db2.gz GAADIODQEHYZNU-UHFFFAOYSA-N -1 3 394.218 2.557 20 10 GFCDHM C[C@@H]1CN(c2ccc(CNc3cnccc3-c3nnn[n-]3)cc2F)C[C@@H](C)O1 ZINC000824991850 608774714 /nfs/dbraw/zinc/77/47/14/608774714.db2.gz HQLGTXFXGSDFRP-CHWSQXEVSA-N -1 3 383.431 2.627 20 10 GFCDHM C[C@@H]1CN(c2ccc(CNc3cnccc3-c3nn[n-]n3)cc2F)C[C@@H](C)O1 ZINC000824991850 608774715 /nfs/dbraw/zinc/77/47/15/608774715.db2.gz HQLGTXFXGSDFRP-CHWSQXEVSA-N -1 3 383.431 2.627 20 10 GFCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000023398183 654538126 /nfs/dbraw/zinc/53/81/26/654538126.db2.gz JQHQUYHAZYAHGH-UHFFFAOYSA-N -1 3 380.491 2.738 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc(Cl)cc3C2)c1 ZINC000124261029 654772990 /nfs/dbraw/zinc/77/29/90/654772990.db2.gz QCTXVYHAFQIVQM-UHFFFAOYSA-N -1 3 380.853 2.616 20 10 GFCDHM COCCS(=O)(=O)c1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1 ZINC000758503941 655934326 /nfs/dbraw/zinc/93/43/26/655934326.db2.gz YFSHMFCDQCRKEA-UHFFFAOYSA-N -1 3 387.860 2.895 20 10 GFCDHM CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000763578435 656086413 /nfs/dbraw/zinc/08/64/13/656086413.db2.gz NVFRPSLGEOCTHM-ZDUSSCGKSA-N -1 3 381.523 2.582 20 10 GFCDHM O=C(NCc1cnn(-c2ccc(Br)cc2)c1)c1cccc(O)c1[O-] ZINC000773176942 656402897 /nfs/dbraw/zinc/40/28/97/656402897.db2.gz RQSWOKJFBIXBLV-UHFFFAOYSA-N -1 3 388.221 2.976 20 10 GFCDHM COc1ccc(O)c(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1 ZINC000779900435 656960985 /nfs/dbraw/zinc/96/09/85/656960985.db2.gz XJGNUUMQWQJMFH-UHFFFAOYSA-N -1 3 386.813 2.749 20 10 GFCDHM Cc1cc(Br)c([O-])c(CN2CCCC[C@H]2C(=O)N2CCOCC2)c1 ZINC000781908532 657088650 /nfs/dbraw/zinc/08/86/50/657088650.db2.gz KBOQNRQKPFIAGL-INIZCTEOSA-N -1 3 397.313 2.676 20 10 GFCDHM C[C@@H]([NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1[O-] ZINC000799725778 659217190 /nfs/dbraw/zinc/21/71/90/659217190.db2.gz IRWAAYNAFKTKGO-SNVBAGLBSA-N -1 3 390.839 2.953 20 10 GFCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@H](S(C)(=O)=O)CC2)c1 ZINC000800535070 659315403 /nfs/dbraw/zinc/31/54/03/659315403.db2.gz ZGSIWVQHHXLATL-ZDUSSCGKSA-N -1 3 376.316 2.862 20 10 GFCDHM CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cccc(Br)c2[O-])C1 ZINC000843432473 661381505 /nfs/dbraw/zinc/38/15/05/661381505.db2.gz MCJSJTRXWGUIOC-ZDUSSCGKSA-N -1 3 381.192 2.655 20 10 GFCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC1CCN([C@@H]2CCOC2)CC1 ZINC000852639373 661869383 /nfs/dbraw/zinc/86/93/83/661869383.db2.gz VGSYIONAQHMVAR-CQSZACIVSA-N -1 3 388.295 2.752 20 10 GFCDHM CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2c([O-])cccc2Br)cn1 ZINC000862344949 662281618 /nfs/dbraw/zinc/28/16/18/662281618.db2.gz PUCKVNXJLSYDSG-WNSKOXEYSA-N -1 3 398.326 2.677 20 10 GFCDHM COC(=O)[C@H](NCc1c([O-])cccc1Br)[C@@H]1CCC[C@@H](OC)C1 ZINC000862401436 662285566 /nfs/dbraw/zinc/28/55/66/662285566.db2.gz DRVBIOAKJFQDSA-XHBSWPGZSA-N -1 3 386.286 2.991 20 10 GFCDHM COC[C@@H](C)NS(=O)(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000863985891 662352163 /nfs/dbraw/zinc/35/21/63/662352163.db2.gz PVMKGGIMODSQPS-GFCCVEGCSA-N -1 3 384.885 2.971 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1ccc(C(=O)OC)[nH]1 ZINC000293286444 563806539 /nfs/dbraw/zinc/80/65/39/563806539.db2.gz HAFCDRGBOGRXND-UHFFFAOYSA-N -1 3 381.226 2.932 20 10 GFCDHM Cc1cc(C(=O)NC[C@H]2CCC[C@@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235042 599100104 /nfs/dbraw/zinc/10/01/04/599100104.db2.gz QFSCHFVSOBKWCU-MAUKXSAKSA-N -1 3 394.479 2.555 20 10 GFCDHM COc1ccc(N2CCC(NC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000737098444 598358102 /nfs/dbraw/zinc/35/81/02/598358102.db2.gz DFXYQPIQVFYUPU-UHFFFAOYSA-N -1 3 393.451 2.666 20 10 GFCDHM COc1ccc(N2CCC(NC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737098444 598358104 /nfs/dbraw/zinc/35/81/04/598358104.db2.gz DFXYQPIQVFYUPU-UHFFFAOYSA-N -1 3 393.451 2.666 20 10 GFCDHM CCCN(Cc1ccccc1O)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736478732 598423199 /nfs/dbraw/zinc/42/31/99/598423199.db2.gz CZYQAJHYDOBRPT-AWEZNQCLSA-N -1 3 381.436 2.778 20 10 GFCDHM CCCN(Cc1ccccc1O)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736478732 598423201 /nfs/dbraw/zinc/42/32/01/598423201.db2.gz CZYQAJHYDOBRPT-AWEZNQCLSA-N -1 3 381.436 2.778 20 10 GFCDHM CCC(CC)[C@@H](O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736336679 598721085 /nfs/dbraw/zinc/72/10/85/598721085.db2.gz GCTHKMKFQRBMSP-IBGZPJMESA-N -1 3 396.495 2.801 20 10 GFCDHM C[C@@H]1CN(c2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cc2F)C[C@@H](C)O1 ZINC000820767086 599408481 /nfs/dbraw/zinc/40/84/81/599408481.db2.gz FWUYNAXARIXUEK-CHWSQXEVSA-N -1 3 386.431 2.502 20 10 GFCDHM CN(Cc1ccc(N2CCOCC2)cc1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000821611292 599467388 /nfs/dbraw/zinc/46/73/88/599467388.db2.gz ZKDLRZDMLZPHPP-UHFFFAOYSA-N -1 3 384.871 2.993 20 10 GFCDHM CN(Cc1ccc(N2CCOCC2)cc1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000821611292 599467390 /nfs/dbraw/zinc/46/73/90/599467390.db2.gz ZKDLRZDMLZPHPP-UHFFFAOYSA-N -1 3 384.871 2.993 20 10 GFCDHM C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374902 599486102 /nfs/dbraw/zinc/48/61/02/599486102.db2.gz SWKVORYGAZGAAO-GFCCVEGCSA-N -1 3 383.431 2.632 20 10 GFCDHM C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374902 599486104 /nfs/dbraw/zinc/48/61/04/599486104.db2.gz SWKVORYGAZGAAO-GFCCVEGCSA-N -1 3 383.431 2.632 20 10 GFCDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000820529269 599489319 /nfs/dbraw/zinc/48/93/19/599489319.db2.gz QEJCUFYFWQTSFL-CYBMUJFWSA-N -1 3 393.447 2.535 20 10 GFCDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000823087109 606599162 /nfs/dbraw/zinc/59/91/62/606599162.db2.gz GVKUNZGRPPVNLH-UHFFFAOYSA-N -1 3 389.415 2.937 20 10 GFCDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000823087109 606599163 /nfs/dbraw/zinc/59/91/63/606599163.db2.gz GVKUNZGRPPVNLH-UHFFFAOYSA-N -1 3 389.415 2.937 20 10 GFCDHM COc1ccc(N(C)CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1F ZINC000821828399 606881678 /nfs/dbraw/zinc/88/16/78/606881678.db2.gz UXEQLVIFBIQDRR-UHFFFAOYSA-N -1 3 390.806 2.743 20 10 GFCDHM COc1ccc(N(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1F ZINC000821828399 606881680 /nfs/dbraw/zinc/88/16/80/606881680.db2.gz UXEQLVIFBIQDRR-UHFFFAOYSA-N -1 3 390.806 2.743 20 10 GFCDHM FC(F)Oc1ccc(N2CCC(Nc3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826369469 608779590 /nfs/dbraw/zinc/77/95/90/608779590.db2.gz DWYPLUPIAZYRMT-UHFFFAOYSA-N -1 3 387.394 2.944 20 10 GFCDHM FC(F)Oc1ccc(N2CCC(Nc3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826369469 608779591 /nfs/dbraw/zinc/77/95/91/608779591.db2.gz DWYPLUPIAZYRMT-UHFFFAOYSA-N -1 3 387.394 2.944 20 10 GFCDHM CCn1cc([C@@H]2C[S@](=O)CCN2Cc2ccc(Br)cc2[O-])cn1 ZINC000825693382 660437777 /nfs/dbraw/zinc/43/77/77/660437777.db2.gz YMUKBGZFZRQDGF-NPMXOYFQSA-N -1 3 398.326 2.677 20 10 GFCDHM Cn1ncc(Cl)c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000830544277 660662912 /nfs/dbraw/zinc/66/29/12/660662912.db2.gz NNAZAMUKZKQPOR-CYBMUJFWSA-N -1 3 383.279 2.827 20 10 GFCDHM CC(C)(C)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F ZINC000183076153 655348964 /nfs/dbraw/zinc/34/89/64/655348964.db2.gz WNUACMJIFZMHBQ-GFCCVEGCSA-N -1 3 382.404 2.861 20 10 GFCDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccccc1O ZINC000751151773 655822186 /nfs/dbraw/zinc/82/21/86/655822186.db2.gz XJMGFGNHFFVZAL-UHFFFAOYSA-N -1 3 377.443 2.872 20 10 GFCDHM O=C1NCCN(Cc2cc(Br)ccc2[O-])[C@@H]1c1ccccc1F ZINC000753590328 655856338 /nfs/dbraw/zinc/85/63/38/655856338.db2.gz LSNATTLFFHKLNQ-MRXNPFEDSA-N -1 3 379.229 2.967 20 10 GFCDHM COC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cc1 ZINC000776328778 656730600 /nfs/dbraw/zinc/73/06/00/656730600.db2.gz ZYBOJLIKESSIDM-ZDUSSCGKSA-N -1 3 394.221 2.895 20 10 GFCDHM Cc1cc(Br)c([O-])c(CN([C@H](C)CS(C)(=O)=O)C2CC2)c1 ZINC000781913984 657089072 /nfs/dbraw/zinc/08/90/72/657089072.db2.gz VGSHNSAUIULEDW-LLVKDONJSA-N -1 3 376.316 2.861 20 10 GFCDHM COC(=O)c1ccc(S(=O)(=O)[N-]CCCSc2nccs2)c(F)c1 ZINC000795103717 658672335 /nfs/dbraw/zinc/67/23/35/658672335.db2.gz GFZWUMJKAJOCLJ-UHFFFAOYSA-N -1 3 390.483 2.530 20 10 GFCDHM O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894496031 663465314 /nfs/dbraw/zinc/46/53/14/663465314.db2.gz WXGLQJRWQGBCDX-MRVPVSSYSA-N -1 3 399.182 2.794 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cc3c(s2)CCCC3)c1 ZINC000919816172 664518376 /nfs/dbraw/zinc/51/83/76/664518376.db2.gz QJXLXLGWLPOTQI-UHFFFAOYSA-N -1 3 380.491 2.634 20 10 GFCDHM C[C@H]1CCNC(=O)[C@@H]1NCc1cc(Br)cc(Br)c1[O-] ZINC000195007358 553035869 /nfs/dbraw/zinc/03/58/69/553035869.db2.gz SYLSRAPWRRMZFY-WRWORJQWSA-N -1 3 392.091 2.531 20 10 GFCDHM COCCN(C)c1ccc(CNCc2cccc(Br)c2[O-])cn1 ZINC000278379030 563252410 /nfs/dbraw/zinc/25/24/10/563252410.db2.gz LLIZOUVRNCKOOB-UHFFFAOYSA-N -1 3 380.286 2.922 20 10 GFCDHM NC(=O)C[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000377839406 563488021 /nfs/dbraw/zinc/48/80/21/563488021.db2.gz IWQGZQJVUMUNHW-QMMMGPOBSA-N -1 3 392.091 2.615 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1[O-] ZINC000365557190 563786596 /nfs/dbraw/zinc/78/65/96/563786596.db2.gz QXEGJDPSOPXXIT-PRXAMGSTSA-N -1 3 386.286 2.932 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1noc2c1COCC2 ZINC000527603591 564749370 /nfs/dbraw/zinc/74/93/70/564749370.db2.gz FJGCJRSAOWHPKI-UHFFFAOYSA-N -1 3 381.226 2.878 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000736531097 598561623 /nfs/dbraw/zinc/56/16/23/598561623.db2.gz CKOXQBRZSXWKAI-UHFFFAOYSA-N -1 3 397.458 2.851 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736531097 598561625 /nfs/dbraw/zinc/56/16/25/598561625.db2.gz CKOXQBRZSXWKAI-UHFFFAOYSA-N -1 3 397.458 2.851 20 10 GFCDHM CN(CCCNC(=S)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736801031 598582846 /nfs/dbraw/zinc/58/28/46/598582846.db2.gz OVZAPIIECZKAGQ-UHFFFAOYSA-N -1 3 385.472 2.819 20 10 GFCDHM CN(CCCNC(=S)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736801031 598582848 /nfs/dbraw/zinc/58/28/48/598582848.db2.gz OVZAPIIECZKAGQ-UHFFFAOYSA-N -1 3 385.472 2.819 20 10 GFCDHM CCN(CC)c1ccc(CN(C)C(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000736531738 598607308 /nfs/dbraw/zinc/60/73/08/598607308.db2.gz JQTRYKRZVDIGDM-UHFFFAOYSA-N -1 3 394.479 2.750 20 10 GFCDHM CCN(CC)c1ccc(CN(C)C(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000736531738 598607310 /nfs/dbraw/zinc/60/73/10/598607310.db2.gz JQTRYKRZVDIGDM-UHFFFAOYSA-N -1 3 394.479 2.750 20 10 GFCDHM Cc1cc(C(=O)N2C[C@@H](C)OC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233961 598610683 /nfs/dbraw/zinc/61/06/83/598610683.db2.gz IYOOLGCFUVYDCZ-UONOGXRCSA-N -1 3 380.452 2.524 20 10 GFCDHM Cc1csc(CNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000737453469 598610931 /nfs/dbraw/zinc/61/09/31/598610931.db2.gz VLGVVWRSFWZSKX-UHFFFAOYSA-N -1 3 393.476 2.969 20 10 GFCDHM Cc1cc(C(=O)Nc2nnc3ccccn32)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737237984 598610981 /nfs/dbraw/zinc/61/09/81/598610981.db2.gz GCGONAYKCCQBBM-UHFFFAOYSA-N -1 3 399.418 2.569 20 10 GFCDHM CCn1nccc1NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736731662 598618745 /nfs/dbraw/zinc/61/87/45/598618745.db2.gz QGNXBQBDBZMNAS-UHFFFAOYSA-N -1 3 376.424 2.743 20 10 GFCDHM CCOc1ccc(N(CC)CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)cc1 ZINC000825638092 607644481 /nfs/dbraw/zinc/64/44/81/607644481.db2.gz FIBSBQZFJSWNJA-UHFFFAOYSA-N -1 3 384.440 2.940 20 10 GFCDHM CC(C)N1CCN(c2cccc(NC(=O)c3ccc(OCC(=O)[O-])cc3)c2)CC1 ZINC000833499161 604471004 /nfs/dbraw/zinc/47/10/04/604471004.db2.gz MCIDIARGGBKXJE-UHFFFAOYSA-N -1 3 397.475 2.933 20 10 GFCDHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000833412282 604954915 /nfs/dbraw/zinc/95/49/15/604954915.db2.gz SUPBVWHZCBOFOR-IERDGZPVSA-N -1 3 383.492 2.763 20 10 GFCDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000833412283 604954995 /nfs/dbraw/zinc/95/49/95/604954995.db2.gz SUPBVWHZCBOFOR-IIBYNOLFSA-N -1 3 383.492 2.763 20 10 GFCDHM O=C(NCc1c(O)ccc2c1CCCC2)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823229333 606697759 /nfs/dbraw/zinc/69/77/59/606697759.db2.gz MASAUWFISZDHLZ-UHFFFAOYSA-N -1 3 385.374 2.659 20 10 GFCDHM O=C(NCc1c(O)ccc2c1CCCC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823229333 606697760 /nfs/dbraw/zinc/69/77/60/606697760.db2.gz MASAUWFISZDHLZ-UHFFFAOYSA-N -1 3 385.374 2.659 20 10 GFCDHM O=C(NCCCSc1nccs1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823196856 606957244 /nfs/dbraw/zinc/95/72/44/606957244.db2.gz KTZPWUZBARRGRM-UHFFFAOYSA-N -1 3 379.446 2.766 20 10 GFCDHM O=C(NCCCSc1nccs1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823196856 606957246 /nfs/dbraw/zinc/95/72/46/606957246.db2.gz KTZPWUZBARRGRM-UHFFFAOYSA-N -1 3 379.446 2.766 20 10 GFCDHM Cc1cc(C(=O)N2CCC[C@H](CCO)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257394 607942221 /nfs/dbraw/zinc/94/22/21/607942221.db2.gz AMXCEDJHGYEWES-MRXNPFEDSA-N -1 3 394.479 2.509 20 10 GFCDHM Oc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000826511181 608376933 /nfs/dbraw/zinc/37/69/33/608376933.db2.gz FWKQMTSJCOVTCG-UHFFFAOYSA-N -1 3 384.346 2.756 20 10 GFCDHM Oc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000826511181 608376935 /nfs/dbraw/zinc/37/69/35/608376935.db2.gz FWKQMTSJCOVTCG-UHFFFAOYSA-N -1 3 384.346 2.756 20 10 GFCDHM CC[C@](C)(CCO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825044944 609396049 /nfs/dbraw/zinc/39/60/49/609396049.db2.gz WHOKNIJTGGUZSO-HXUWFJFHSA-N -1 3 382.468 2.555 20 10 GFCDHM CCOC(=O)Nc1ccc(NCc2cc(OC)ccc2O)cc1-c1nnn[n-]1 ZINC000825553925 609489305 /nfs/dbraw/zinc/48/93/05/609489305.db2.gz ZXTLIAFNHIFGJV-UHFFFAOYSA-N -1 3 384.396 2.761 20 10 GFCDHM CCOC(=O)Nc1ccc(NCc2cc(OC)ccc2O)cc1-c1nn[n-]n1 ZINC000825553925 609489307 /nfs/dbraw/zinc/48/93/07/609489307.db2.gz ZXTLIAFNHIFGJV-UHFFFAOYSA-N -1 3 384.396 2.761 20 10 GFCDHM CS(=O)(=O)CC[C@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC000825959164 660446514 /nfs/dbraw/zinc/44/65/14/660446514.db2.gz AYTXAADXHZMPSN-CQSZACIVSA-N -1 3 376.316 2.944 20 10 GFCDHM O=C(NCC(F)F)[C@@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC000826083907 660449443 /nfs/dbraw/zinc/44/94/43/660449443.db2.gz PJMHJNJXAVDVQT-LBPRGKRZSA-N -1 3 377.229 2.891 20 10 GFCDHM COc1ccccc1NC(=S)NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826220297 660451606 /nfs/dbraw/zinc/45/16/06/660451606.db2.gz IYLTWMSIEVPTQY-UHFFFAOYSA-N -1 3 375.845 2.842 20 10 GFCDHM COc1ccccc1NC(=S)NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826220297 660451607 /nfs/dbraw/zinc/45/16/07/660451607.db2.gz IYLTWMSIEVPTQY-UHFFFAOYSA-N -1 3 375.845 2.842 20 10 GFCDHM COC(=O)[C@H](NCc1ccc(Br)cc1[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC000826142554 660450750 /nfs/dbraw/zinc/45/07/50/660450750.db2.gz FIIDOUVLDZDKKG-DJSGYFEHSA-N -1 3 386.286 2.991 20 10 GFCDHM S=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Br)cc1 ZINC000826512400 660455916 /nfs/dbraw/zinc/45/59/16/660455916.db2.gz ZFDQGUVFOQMAJY-UHFFFAOYSA-N -1 3 390.270 2.943 20 10 GFCDHM S=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Br)cc1 ZINC000826512400 660455917 /nfs/dbraw/zinc/45/59/17/660455917.db2.gz ZFDQGUVFOQMAJY-UHFFFAOYSA-N -1 3 390.270 2.943 20 10 GFCDHM Cn1nc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cc1Cl ZINC000827095718 660478932 /nfs/dbraw/zinc/47/89/32/660478932.db2.gz LGLHZNAHLKOLFA-ZDUSSCGKSA-N -1 3 383.279 2.827 20 10 GFCDHM CCOC(=O)c1noc(CN(CC)Cc2cc(Br)ccc2[O-])n1 ZINC000838858709 661060089 /nfs/dbraw/zinc/06/00/89/661060089.db2.gz CVZGQBNVMAPEJR-UHFFFAOYSA-N -1 3 384.230 2.737 20 10 GFCDHM C[C@H](O)[C@@H]1CCN(c2cc(NCc3cccc(Br)c3[O-])ncn2)C1 ZINC000840294611 661152289 /nfs/dbraw/zinc/15/22/89/661152289.db2.gz PCTRUTWZGYGGNF-WCQYABFASA-N -1 3 393.285 2.764 20 10 GFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cncc(Cl)n1 ZINC000760858641 655993745 /nfs/dbraw/zinc/99/37/45/655993745.db2.gz IWCABDOIIRWMTB-CYBMUJFWSA-N -1 3 381.263 2.883 20 10 GFCDHM O=S(=O)(CCCCF)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000805010829 659713903 /nfs/dbraw/zinc/71/39/03/659713903.db2.gz MZOSJEVRMLAQLS-OAHLLOKOSA-N -1 3 378.897 2.679 20 10 GFCDHM O=S(=O)(c1ccc(NCc2c([O-])cccc2Cl)cc1)N1CCOCC1 ZINC000863985082 662352234 /nfs/dbraw/zinc/35/22/34/662352234.db2.gz WBAVWQCWKAYCAV-UHFFFAOYSA-N -1 3 382.869 2.679 20 10 GFCDHM [O-]c1cccc(Br)c1CN1CCc2nc[nH]c2C12CCOCC2 ZINC000895070871 663497823 /nfs/dbraw/zinc/49/78/23/663497823.db2.gz UPICJDPSHBTXSC-UHFFFAOYSA-N -1 3 378.270 2.942 20 10 GFCDHM [O-]c1cc(Br)ccc1CN1CCc2nc[nH]c2C12CCOCC2 ZINC000895069970 663497874 /nfs/dbraw/zinc/49/78/74/663497874.db2.gz LTUOOIDNWKLABQ-UHFFFAOYSA-N -1 3 378.270 2.942 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000121000293 551224746 /nfs/dbraw/zinc/22/47/46/551224746.db2.gz QLSZOUXVDOPKMQ-UHFFFAOYSA-N -1 3 397.229 2.767 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCOCC(F)F ZINC000190297643 552492376 /nfs/dbraw/zinc/49/23/76/552492376.db2.gz DOBNBEWUSLWINR-UHFFFAOYSA-N -1 3 381.217 2.968 20 10 GFCDHM CCn1nc2c(cc1=O)CN(Cc1cc(Br)cc(C)c1[O-])CC2 ZINC000371418711 563277094 /nfs/dbraw/zinc/27/70/94/563277094.db2.gz QBUIMCASTKYITK-UHFFFAOYSA-N -1 3 378.270 2.598 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCCC(F)(F)C2)c1 ZINC000293714213 563822631 /nfs/dbraw/zinc/82/26/31/563822631.db2.gz RWVGFHMJRCFQOZ-LLVKDONJSA-N -1 3 376.425 2.709 20 10 GFCDHM CCN(C[C@H]1CCCO1)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736533789 598611397 /nfs/dbraw/zinc/61/13/97/598611397.db2.gz DHNUPRFQCPEACB-GOSISDBHSA-N -1 3 394.479 2.915 20 10 GFCDHM CN1CCCc2cc(CNC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)ccc21 ZINC000736855316 598629562 /nfs/dbraw/zinc/62/95/62/598629562.db2.gz BJIBAYGXAUTDNN-UHFFFAOYSA-N -1 3 381.415 2.710 20 10 GFCDHM CN1CCCc2cc(CNC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)ccc21 ZINC000736855316 598629565 /nfs/dbraw/zinc/62/95/65/598629565.db2.gz BJIBAYGXAUTDNN-UHFFFAOYSA-N -1 3 381.415 2.710 20 10 GFCDHM Cc1cc(C(=O)N2CCCOC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257409 607512225 /nfs/dbraw/zinc/51/22/25/607512225.db2.gz BEGAIGUFAQIVEX-AWEZNQCLSA-N -1 3 380.452 2.525 20 10 GFCDHM O=C([O-])N1CCC[C@@H](C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000740511379 603277272 /nfs/dbraw/zinc/27/72/72/603277272.db2.gz CORXDNXTSKUEAR-WMLDXEAASA-N -1 3 381.904 2.990 20 10 GFCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000826246571 607671847 /nfs/dbraw/zinc/67/18/47/607671847.db2.gz GWPCVWCWCFCIIQ-OAHLLOKOSA-N -1 3 392.463 2.503 20 10 GFCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000826246571 607671849 /nfs/dbraw/zinc/67/18/49/607671849.db2.gz GWPCVWCWCFCIIQ-OAHLLOKOSA-N -1 3 392.463 2.503 20 10 GFCDHM COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000833733476 605127153 /nfs/dbraw/zinc/12/71/53/605127153.db2.gz INMYXDOAXPRGFZ-QMTHXVAHSA-N -1 3 376.434 2.617 20 10 GFCDHM CN1CCCc2cc(CNC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)ccc21 ZINC000821624963 606355959 /nfs/dbraw/zinc/35/59/59/606355959.db2.gz BHQGQIHNZMHTLN-UHFFFAOYSA-N -1 3 381.415 2.710 20 10 GFCDHM CN1CCCc2cc(CNC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)ccc21 ZINC000821624963 606355960 /nfs/dbraw/zinc/35/59/60/606355960.db2.gz BHQGQIHNZMHTLN-UHFFFAOYSA-N -1 3 381.415 2.710 20 10 GFCDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1ccc(N2CCCCC2)cc1 ZINC000823098814 606537867 /nfs/dbraw/zinc/53/78/67/606537867.db2.gz SAQDTJQVAPSYLC-UHFFFAOYSA-N -1 3 376.464 2.716 20 10 GFCDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1ccc(N2CCCCC2)cc1 ZINC000823098814 606537869 /nfs/dbraw/zinc/53/78/69/606537869.db2.gz SAQDTJQVAPSYLC-UHFFFAOYSA-N -1 3 376.464 2.716 20 10 GFCDHM Cc1cc(C(=O)N[C@H](C)C[C@@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167742 607134646 /nfs/dbraw/zinc/13/46/46/607134646.db2.gz HHZOZWNKVAXESK-CJNGLKHVSA-N -1 3 394.479 2.819 20 10 GFCDHM Cc1cc(C(=O)N[C@H](C)C[C@H]2CCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167743 607134847 /nfs/dbraw/zinc/13/48/47/607134847.db2.gz HHZOZWNKVAXESK-CZUORRHYSA-N -1 3 394.479 2.819 20 10 GFCDHM Oc1ccccc1CN(C[C@H]1CCCO1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826511416 608076933 /nfs/dbraw/zinc/07/69/33/608076933.db2.gz OOIMQFWVVIRDGV-CQSZACIVSA-N -1 3 386.843 2.806 20 10 GFCDHM Oc1ccccc1CN(C[C@H]1CCCO1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826511416 608076934 /nfs/dbraw/zinc/07/69/34/608076934.db2.gz OOIMQFWVVIRDGV-CQSZACIVSA-N -1 3 386.843 2.806 20 10 GFCDHM Cc1ccnc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1-c1nnn[n-]1 ZINC000826314502 609538420 /nfs/dbraw/zinc/53/84/20/609538420.db2.gz ZYULROJJMRBGEA-ZIAGYGMSSA-N -1 3 397.458 2.935 20 10 GFCDHM Cc1ccnc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1-c1nn[n-]n1 ZINC000826314502 609538421 /nfs/dbraw/zinc/53/84/21/609538421.db2.gz ZYULROJJMRBGEA-ZIAGYGMSSA-N -1 3 397.458 2.935 20 10 GFCDHM CCc1ncc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000819887968 660272213 /nfs/dbraw/zinc/27/22/13/660272213.db2.gz QNGFNSMZICPTNL-ZDUSSCGKSA-N -1 3 381.523 2.519 20 10 GFCDHM O=C(CN(Cc1ccc(Br)cc1[O-])C[C@@H]1CCCO1)N1CCCC1 ZINC000824869880 660403735 /nfs/dbraw/zinc/40/37/35/660403735.db2.gz IVJLDPRFFPEPEK-INIZCTEOSA-N -1 3 397.313 2.758 20 10 GFCDHM CN(C)[C@H](CNC(=O)NCc1cccc(Br)c1[O-])c1ccco1 ZINC000765447267 656143326 /nfs/dbraw/zinc/14/33/26/656143326.db2.gz UDBXPLLZWNTMGK-CYBMUJFWSA-N -1 3 382.258 2.850 20 10 GFCDHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000769783580 656291202 /nfs/dbraw/zinc/29/12/02/656291202.db2.gz YMOZANODMUYDEY-SNVBAGLBSA-N -1 3 383.495 2.670 20 10 GFCDHM C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000781047910 657040934 /nfs/dbraw/zinc/04/09/34/657040934.db2.gz GEYVBRMZEQUXQU-NXEZZACHSA-N -1 3 380.388 2.567 20 10 GFCDHM NC(=O)CN1CCc2ccc(NCc3cccc(Br)c3[O-])cc2C1 ZINC000788528926 657739657 /nfs/dbraw/zinc/73/96/57/657739657.db2.gz KBWDTGFQTLVCEP-UHFFFAOYSA-N -1 3 390.281 2.610 20 10 GFCDHM O=C1NCCN(Cc2cc(F)ccc2[O-])[C@H]1c1ccc(Br)cc1 ZINC000793383952 658392189 /nfs/dbraw/zinc/39/21/89/658392189.db2.gz KAHNTDIZBHWSIP-INIZCTEOSA-N -1 3 379.229 2.967 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(CC(F)(F)F)CC2)c1 ZINC000803675433 659595931 /nfs/dbraw/zinc/59/59/31/659595931.db2.gz SEXVPIFUMIHNDD-UHFFFAOYSA-N -1 3 380.388 2.568 20 10 GFCDHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1c([O-])cccc1Br ZINC000862213308 662273568 /nfs/dbraw/zinc/27/35/68/662273568.db2.gz OVNRGPLTIRVZRX-LLVKDONJSA-N -1 3 399.310 2.995 20 10 GFCDHM CN(Cc1c([O-])cccc1Br)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000862245541 662276697 /nfs/dbraw/zinc/27/66/97/662276697.db2.gz RVKUHTCRZFLMGG-LLVKDONJSA-N -1 3 381.192 2.750 20 10 GFCDHM CS(=O)(=O)CC[C@@H]1CCCCN1Cc1c([O-])cccc1Br ZINC000862374396 662283827 /nfs/dbraw/zinc/28/38/27/662283827.db2.gz LGMQVMUOCBRODB-LBPRGKRZSA-N -1 3 376.316 2.944 20 10 GFCDHM O=S(=O)(C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1)N1CCCCC1 ZINC000897271043 663597792 /nfs/dbraw/zinc/59/77/92/663597792.db2.gz GKUQQAXOMDFLHD-UHFFFAOYSA-N -1 3 390.908 2.965 20 10 GFCDHM COC(=O)c1cc2n(n1)CCC[C@H]2NCc1cc(Br)cc(F)c1[O-] ZINC000897990517 663629201 /nfs/dbraw/zinc/62/92/01/663629201.db2.gz VNGBKRJRCRQOAN-GFCCVEGCSA-N -1 3 398.232 2.902 20 10 GFCDHM C[C@@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc(F)c(F)c1[O-] ZINC000187800297 552424924 /nfs/dbraw/zinc/42/49/24/552424924.db2.gz XTUUGSIWXBGYBL-SNVBAGLBSA-N -1 3 376.450 2.703 20 10 GFCDHM [O-]c1c(Br)cccc1CNCc1cnc(N2CCOCC2)s1 ZINC000278349539 563251146 /nfs/dbraw/zinc/25/11/46/563251146.db2.gz IKLWBTAWRUCBBQ-UHFFFAOYSA-N -1 3 384.299 2.738 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1[O-] ZINC000370712474 563253418 /nfs/dbraw/zinc/25/34/18/563253418.db2.gz VSHXYWITPCARJD-SJCJKPOMSA-N -1 3 386.286 2.933 20 10 GFCDHM O=C(Nc1cnccn1)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000371404392 563277053 /nfs/dbraw/zinc/27/70/53/563277053.db2.gz MYDGZOTXTYRDEL-UHFFFAOYSA-N -1 3 391.269 2.795 20 10 GFCDHM COc1cc(Br)cc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1[O-] ZINC000375690040 563414661 /nfs/dbraw/zinc/41/46/61/563414661.db2.gz GEXDQCCDCMMQKX-INIZCTEOSA-N -1 3 396.285 2.832 20 10 GFCDHM COc1cc(Br)cc(CN2CC[C@@H](NC(=O)C3CCC3)C2)c1[O-] ZINC000378352074 563503879 /nfs/dbraw/zinc/50/38/79/563503879.db2.gz XWDASQSEYDTHRV-CQSZACIVSA-N -1 3 383.286 2.654 20 10 GFCDHM Cc1cc(C(=O)N2[C@H](C)COC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234619 598953635 /nfs/dbraw/zinc/95/36/35/598953635.db2.gz OARBFRZJCMFPMW-OKILXGFUSA-N -1 3 380.452 2.524 20 10 GFCDHM COc1cccc(NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737142487 598318952 /nfs/dbraw/zinc/31/89/52/598318952.db2.gz VUDXNEUMLHUTRK-UHFFFAOYSA-N -1 3 375.845 2.842 20 10 GFCDHM COc1cccc(NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737142487 598318953 /nfs/dbraw/zinc/31/89/53/598318953.db2.gz VUDXNEUMLHUTRK-UHFFFAOYSA-N -1 3 375.845 2.842 20 10 GFCDHM Cc1cc(C(=O)N2CCCO[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233984 598612060 /nfs/dbraw/zinc/61/20/60/598612060.db2.gz JGQQXROFZMQZQN-AWEZNQCLSA-N -1 3 380.452 2.525 20 10 GFCDHM CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820859843 599379510 /nfs/dbraw/zinc/37/95/10/599379510.db2.gz GSTKXVDEDYRPSP-ASSNKEHSSA-N -1 3 396.495 2.801 20 10 GFCDHM COc1ccc(N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1OC ZINC000821827906 599568657 /nfs/dbraw/zinc/56/86/57/599568657.db2.gz MMJCACWDQRPVON-UHFFFAOYSA-N -1 3 393.407 2.570 20 10 GFCDHM COc1ccc(N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1OC ZINC000821827906 599568658 /nfs/dbraw/zinc/56/86/58/599568658.db2.gz MMJCACWDQRPVON-UHFFFAOYSA-N -1 3 393.407 2.570 20 10 GFCDHM CCCN(Cc1ccccc1O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821109811 599677461 /nfs/dbraw/zinc/67/74/61/599677461.db2.gz PQPRFQKYRSAZMF-UHFFFAOYSA-N -1 3 396.451 2.573 20 10 GFCDHM O=C([O-])N1CCC[C@H](C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000740511377 603277153 /nfs/dbraw/zinc/27/71/53/603277153.db2.gz CORXDNXTSKUEAR-PBHICJAKSA-N -1 3 381.904 2.990 20 10 GFCDHM Cc1cc(C(=O)N(C)Cc2cccn2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168471 606757145 /nfs/dbraw/zinc/75/71/45/606757145.db2.gz NMVWHNBUOGYXQS-UHFFFAOYSA-N -1 3 389.463 2.885 20 10 GFCDHM Cc1cc(C(=O)N2CCOC[C@@H]2C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258795 608040435 /nfs/dbraw/zinc/04/04/35/608040435.db2.gz XJSQRNDIXWRJNC-LJQANCHMSA-N -1 3 392.463 2.525 20 10 GFCDHM CN1CCCc2cc(CNC(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)ccc21 ZINC000826033365 609290291 /nfs/dbraw/zinc/29/02/91/609290291.db2.gz BDHMTUJQLOPNFH-UHFFFAOYSA-N -1 3 382.855 2.833 20 10 GFCDHM CN1CCCc2cc(CNC(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)ccc21 ZINC000826033365 609290292 /nfs/dbraw/zinc/29/02/92/609290292.db2.gz BDHMTUJQLOPNFH-UHFFFAOYSA-N -1 3 382.855 2.833 20 10 GFCDHM O=C(c1ccc(O)cc1)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824594101 660397720 /nfs/dbraw/zinc/39/77/20/660397720.db2.gz ZAKBMZLQNBMQLG-UHFFFAOYSA-N -1 3 391.265 2.818 20 10 GFCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000023398181 654537941 /nfs/dbraw/zinc/53/79/41/654537941.db2.gz QLYYKZUGFVEMFD-UHFFFAOYSA-N -1 3 394.396 2.878 20 10 GFCDHM O=S(=O)(c1ccccc1)N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000092453920 655014100 /nfs/dbraw/zinc/01/41/00/655014100.db2.gz OEOPETNXTPJBRY-UHFFFAOYSA-N -1 3 380.897 2.942 20 10 GFCDHM CC[C@H]1c2ccsc2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093962593 655025485 /nfs/dbraw/zinc/02/54/85/655025485.db2.gz IWLCCFYFPXRDJX-AWEZNQCLSA-N -1 3 380.491 2.975 20 10 GFCDHM Cc1nc([C@H]2CCCN2C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cs1 ZINC000275158928 655220350 /nfs/dbraw/zinc/22/03/50/655220350.db2.gz XEIKKIZYPBJVES-CQSZACIVSA-N -1 3 381.479 2.506 20 10 GFCDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCSc2nccs2)c(F)c1 ZINC000117365189 655264894 /nfs/dbraw/zinc/26/48/94/655264894.db2.gz WSOWEYLXCXOPAS-UHFFFAOYSA-N -1 3 377.444 2.651 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117989870 655270830 /nfs/dbraw/zinc/27/08/30/655270830.db2.gz PTNVMEBGRKXCBB-UHFFFAOYSA-N -1 3 378.475 2.755 20 10 GFCDHM Cn1cc(Br)c(CNCc2c([O-])cccc2Br)n1 ZINC000706883097 655522214 /nfs/dbraw/zinc/52/22/14/655522214.db2.gz AFQQCNMXGXYWAA-UHFFFAOYSA-N -1 3 375.064 2.941 20 10 GFCDHM CN(C)C(=O)C1(NCc2cc(Br)cc(Br)c2[O-])CC1 ZINC000840956761 661220500 /nfs/dbraw/zinc/22/05/00/661220500.db2.gz DHCLCLMPMIQBTP-UHFFFAOYSA-N -1 3 392.091 2.628 20 10 GFCDHM CC(C)CN1C[C@@H]2CN(Cc3cc(Br)ccc3[O-])CCN2C1=O ZINC000787288886 657540632 /nfs/dbraw/zinc/54/06/32/657540632.db2.gz PDJANBJTKHOMLE-HNNXBMFYSA-N -1 3 382.302 2.733 20 10 GFCDHM O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790986198 658051918 /nfs/dbraw/zinc/05/19/18/658051918.db2.gz JONLFWCFSHDPLQ-UHFFFAOYSA-N -1 3 388.804 2.656 20 10 GFCDHM O=C(Nc1nncs1)C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000809733878 659937741 /nfs/dbraw/zinc/93/77/41/659937741.db2.gz LROSAQAXMYUTTB-UHFFFAOYSA-N -1 3 397.298 2.857 20 10 GFCDHM Cn1nccc1[C@@H](O)C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000857060575 662062011 /nfs/dbraw/zinc/06/20/11/662062011.db2.gz BVFFADFWHUXYMS-KRWDZBQOSA-N -1 3 380.286 2.834 20 10 GFCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(CCO)(CCO)CC1 ZINC000895444920 663514420 /nfs/dbraw/zinc/51/44/20/663514420.db2.gz WCCLEQBURSHZLU-UHFFFAOYSA-N -1 3 376.266 2.641 20 10 GFCDHM O=S(=O)(C[C@@]12CCN(C1)CCC2)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000915669584 664436892 /nfs/dbraw/zinc/43/68/92/664436892.db2.gz QYITWAOKOHRWBU-HNNXBMFYSA-N -1 3 379.309 2.604 20 10 GFCDHM C[C@@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000186158537 552380699 /nfs/dbraw/zinc/38/06/99/552380699.db2.gz HALQNDHYFBLTCF-PWSUYJOCSA-N -1 3 375.899 2.593 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CCCCN1C(C)=O ZINC000285550222 563526778 /nfs/dbraw/zinc/52/67/78/563526778.db2.gz DZJJVYTXUGCQNN-OAHLLOKOSA-N -1 3 383.286 2.904 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@@H]2c2cccs2)c1 ZINC000360828987 563695108 /nfs/dbraw/zinc/69/51/08/563695108.db2.gz MLQNLNZDFYMGJC-CYBMUJFWSA-N -1 3 398.531 2.756 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737269262 599147870 /nfs/dbraw/zinc/14/78/70/599147870.db2.gz ASNKJISPQBRRCF-UHFFFAOYSA-N -1 3 379.468 2.583 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737269262 599147874 /nfs/dbraw/zinc/14/78/74/599147874.db2.gz ASNKJISPQBRRCF-UHFFFAOYSA-N -1 3 379.468 2.583 20 10 GFCDHM OCC1CCN(c2ccc(CNc3ncc(-c4nnn[n-]4)cc3Cl)cc2)CC1 ZINC000738392620 598392017 /nfs/dbraw/zinc/39/20/17/598392017.db2.gz FUHIFAPXWKCOBS-UHFFFAOYSA-N -1 3 399.886 2.736 20 10 GFCDHM OCC1CCN(c2ccc(CNc3ncc(-c4nn[n-]n4)cc3Cl)cc2)CC1 ZINC000738392620 598392019 /nfs/dbraw/zinc/39/20/19/598392019.db2.gz FUHIFAPXWKCOBS-UHFFFAOYSA-N -1 3 399.886 2.736 20 10 GFCDHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000736136065 598392079 /nfs/dbraw/zinc/39/20/79/598392079.db2.gz DKRBVFRGMCYUOD-LBPRGKRZSA-N -1 3 385.859 2.925 20 10 GFCDHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000736136065 598392081 /nfs/dbraw/zinc/39/20/81/598392081.db2.gz DKRBVFRGMCYUOD-LBPRGKRZSA-N -1 3 385.859 2.925 20 10 GFCDHM Cc1cc(C(=O)OCC(=O)OC(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737239936 598621512 /nfs/dbraw/zinc/62/15/12/598621512.db2.gz CTAVLLRAUNRVSJ-UHFFFAOYSA-N -1 3 397.435 2.773 20 10 GFCDHM CN(Cc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821611108 599322531 /nfs/dbraw/zinc/32/25/31/599322531.db2.gz QWCLGJOOWDAYFW-UHFFFAOYSA-N -1 3 384.871 2.993 20 10 GFCDHM CN(Cc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000821611108 599322534 /nfs/dbraw/zinc/32/25/34/599322534.db2.gz QWCLGJOOWDAYFW-UHFFFAOYSA-N -1 3 384.871 2.993 20 10 GFCDHM O=C([O-])C[C@@H]1C[N@H+](Cc2c([O-])ccc3cc(Br)ccc32)CCO1 ZINC000833219870 601373926 /nfs/dbraw/zinc/37/39/26/601373926.db2.gz KIIYYBOYERDARU-CYBMUJFWSA-N -1 3 380.238 2.983 20 10 GFCDHM O=C([O-])C[C@@H]1C[N@@H+](Cc2c([O-])ccc3cc(Br)ccc32)CCO1 ZINC000833219870 601373928 /nfs/dbraw/zinc/37/39/28/601373928.db2.gz KIIYYBOYERDARU-CYBMUJFWSA-N -1 3 380.238 2.983 20 10 GFCDHM O=C([O-])C[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000833219870 601373929 /nfs/dbraw/zinc/37/39/29/601373929.db2.gz KIIYYBOYERDARU-CYBMUJFWSA-N -1 3 380.238 2.983 20 10 GFCDHM COc1ccc(N2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1F ZINC000821831839 606633851 /nfs/dbraw/zinc/63/38/51/606633851.db2.gz OXTPIYVDIWRVTF-UHFFFAOYSA-N -1 3 388.834 2.994 20 10 GFCDHM COc1ccc(N2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)cc1F ZINC000821831839 606633852 /nfs/dbraw/zinc/63/38/52/606633852.db2.gz OXTPIYVDIWRVTF-UHFFFAOYSA-N -1 3 388.834 2.994 20 10 GFCDHM COc1ccc(N2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1F ZINC000821831733 606634108 /nfs/dbraw/zinc/63/41/08/606634108.db2.gz KVIBRTZBPLOUET-UHFFFAOYSA-N -1 3 388.834 2.994 20 10 GFCDHM COc1ccc(N2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)cc1F ZINC000821831733 606634109 /nfs/dbraw/zinc/63/41/09/606634109.db2.gz KVIBRTZBPLOUET-UHFFFAOYSA-N -1 3 388.834 2.994 20 10 GFCDHM O=[N+]([O-])c1cc(NCc2ccc(N3CCSCC3)cc2)ccc1-c1nnn[n-]1 ZINC000823635001 606645940 /nfs/dbraw/zinc/64/59/40/606645940.db2.gz PIXXCNXDFRXFSA-UHFFFAOYSA-N -1 3 397.464 2.940 20 10 GFCDHM Cc1cc(C(=O)NC[C@@]2(C)CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176964 606691320 /nfs/dbraw/zinc/69/13/20/606691320.db2.gz QRQJGBIILLZDAV-HXUWFJFHSA-N -1 3 380.452 2.573 20 10 GFCDHM Cc1cc(C(=O)N[C@H](C)C2CCOCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822169052 606817395 /nfs/dbraw/zinc/81/73/95/606817395.db2.gz XPEDVYLKWUEOEN-CQSZACIVSA-N -1 3 394.479 2.819 20 10 GFCDHM Cc1cc(C(=O)N(C)[C@@H]2CCSC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257156 607919321 /nfs/dbraw/zinc/91/93/21/607919321.db2.gz PWPBLHVUGYNUHQ-MRXNPFEDSA-N -1 3 382.493 2.852 20 10 GFCDHM CC[C@]1(C)COCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825165119 608201327 /nfs/dbraw/zinc/20/13/27/608201327.db2.gz SWLROUQZDKIMKB-OAQYLSRUSA-N -1 3 394.479 2.915 20 10 GFCDHM CO[C@H]1CCC[C@H]1CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826146488 608568678 /nfs/dbraw/zinc/56/86/78/608568678.db2.gz WPRZMFPFPZWKPR-LPHOPBHVSA-N -1 3 394.479 2.819 20 10 GFCDHM Cc1c(Cl)cnc(N(C)Cc2ccc(N3CCOCC3)cc2)c1-c1nnn[n-]1 ZINC000826237108 609523920 /nfs/dbraw/zinc/52/39/20/609523920.db2.gz OARUVZUIXQHVLX-UHFFFAOYSA-N -1 3 399.886 2.697 20 10 GFCDHM Cc1c(Cl)cnc(N(C)Cc2ccc(N3CCOCC3)cc2)c1-c1nn[n-]n1 ZINC000826237108 609523921 /nfs/dbraw/zinc/52/39/21/609523921.db2.gz OARUVZUIXQHVLX-UHFFFAOYSA-N -1 3 399.886 2.697 20 10 GFCDHM CCc1ncc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000819887967 660272173 /nfs/dbraw/zinc/27/21/73/660272173.db2.gz QNGFNSMZICPTNL-CYBMUJFWSA-N -1 3 381.523 2.519 20 10 GFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1C ZINC000055668566 654780045 /nfs/dbraw/zinc/78/00/45/654780045.db2.gz PJEYXNUSCKUUHM-UHFFFAOYSA-N -1 3 390.433 2.836 20 10 GFCDHM O=S1(=O)CCCN(Cc2c([O-])ccc3cc(Br)ccc32)CC1 ZINC000742151250 655710639 /nfs/dbraw/zinc/71/06/39/655710639.db2.gz DLQABLNSGBCJPV-UHFFFAOYSA-N -1 3 384.295 2.928 20 10 GFCDHM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000775942294 656694880 /nfs/dbraw/zinc/69/48/80/656694880.db2.gz MTPLLMUONAKJBV-JOYOIKCWSA-N -1 3 380.388 2.567 20 10 GFCDHM Cc1cc(Br)c([O-])c(CN2CCCC[C@@H]2C(=O)N2CCOCC2)c1 ZINC000781908537 657088015 /nfs/dbraw/zinc/08/80/15/657088015.db2.gz KBOQNRQKPFIAGL-MRXNPFEDSA-N -1 3 397.313 2.676 20 10 GFCDHM O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccc(O)c1[O-] ZINC000790921310 658044313 /nfs/dbraw/zinc/04/43/13/658044313.db2.gz FUXYXPPDMLOYPO-ZDUSSCGKSA-N -1 3 381.215 2.940 20 10 GFCDHM Cc1cc(Br)c([O-])c(CN(C)Cc2ccccc2S(N)(=O)=O)c1 ZINC000816627639 660163477 /nfs/dbraw/zinc/16/34/77/660163477.db2.gz SLLJAUREXUQPFY-UHFFFAOYSA-N -1 3 399.310 2.743 20 10 GFCDHM [O-]c1c(Br)cccc1CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856534494 662037036 /nfs/dbraw/zinc/03/70/36/662037036.db2.gz RAFVGLFOWMUQKS-LSDHHAIUSA-N -1 3 390.281 2.505 20 10 GFCDHM O=C(c1cccnc1)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862211657 662273653 /nfs/dbraw/zinc/27/36/53/662273653.db2.gz KWAIERBFFHSOAE-UHFFFAOYSA-N -1 3 376.254 2.508 20 10 GFCDHM Cn1ncc(I)c1CNCc1c([O-])ccc(Cl)c1F ZINC000865868595 662448760 /nfs/dbraw/zinc/44/87/60/662448760.db2.gz MGRAXKSYRQOSSI-UHFFFAOYSA-N -1 3 395.603 2.813 20 10 GFCDHM CCCN(Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000893890636 663430364 /nfs/dbraw/zinc/43/03/64/663430364.db2.gz CROQWLYGVUDKCW-GFCCVEGCSA-N -1 3 380.279 2.693 20 10 GFCDHM Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894095623 663442443 /nfs/dbraw/zinc/44/24/43/663442443.db2.gz RDJCWMKQAPNAMK-ZBEGNZNMSA-N -1 3 398.276 2.973 20 10 GFCDHM C[C@H](NC[C@H](O)CS(=O)(=O)c1cccs1)c1cc(Cl)ccc1[O-] ZINC000186158520 552380561 /nfs/dbraw/zinc/38/05/61/552380561.db2.gz HALQNDHYFBLTCF-JQWIXIFHSA-N -1 3 375.899 2.593 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000294779825 563216796 /nfs/dbraw/zinc/21/67/96/563216796.db2.gz ADQSSHVIEZNSON-LRDDRELGSA-N -1 3 386.286 2.945 20 10 GFCDHM Cc1cc(Br)cc(CN2CCCN(C(=O)[C@H]3CCCO3)CC2)c1[O-] ZINC000371415722 563276745 /nfs/dbraw/zinc/27/67/45/563276745.db2.gz DHOSEKHGVOBTGD-MRXNPFEDSA-N -1 3 397.313 2.676 20 10 GFCDHM CCn1nncc1CNCc1cc(Br)cc(Br)c1[O-] ZINC000529638146 564845551 /nfs/dbraw/zinc/84/55/51/564845551.db2.gz GPBKURRQACHYCJ-UHFFFAOYSA-N -1 3 390.079 2.818 20 10 GFCDHM Cc1cc(C(=O)N(C)Cc2ccccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227761 598610599 /nfs/dbraw/zinc/61/05/99/598610599.db2.gz RABPGMLACIRPTL-UHFFFAOYSA-N -1 3 387.447 2.941 20 10 GFCDHM Cc1cc(CN(C)C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)no1 ZINC000737263315 598610957 /nfs/dbraw/zinc/61/09/57/598610957.db2.gz STQGGOBQTLOIFP-UHFFFAOYSA-N -1 3 391.435 2.843 20 10 GFCDHM Cc1cc(C(=O)N(C)C[C@H]2CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228065 598619184 /nfs/dbraw/zinc/61/91/84/598619184.db2.gz SXYWPKXICGTOMY-QGZVFWFLSA-N -1 3 380.452 2.525 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826269007 607457611 /nfs/dbraw/zinc/45/76/11/607457611.db2.gz XIQPJGGCDGHHIM-UHFFFAOYSA-N -1 3 391.479 2.730 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826269007 607457613 /nfs/dbraw/zinc/45/76/13/607457613.db2.gz XIQPJGGCDGHHIM-UHFFFAOYSA-N -1 3 391.479 2.730 20 10 GFCDHM COc1ccc(N2CCC(Nc3ccc(-c4nnn[n-]4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000821831692 606645587 /nfs/dbraw/zinc/64/55/87/606645587.db2.gz JNBCFXAWZOJJIM-UHFFFAOYSA-N -1 3 395.423 2.864 20 10 GFCDHM COc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)CC2)cc1 ZINC000821831692 606645588 /nfs/dbraw/zinc/64/55/88/606645588.db2.gz JNBCFXAWZOJJIM-UHFFFAOYSA-N -1 3 395.423 2.864 20 10 GFCDHM Cc1cc(C(=O)NC[C@@H]2CCCS2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177234 606809334 /nfs/dbraw/zinc/80/93/34/606809334.db2.gz WNYNLHBSFYVYNH-INIZCTEOSA-N -1 3 382.493 2.900 20 10 GFCDHM Cc1cc(C(=O)NC[C@H]2CCO[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259034 608200556 /nfs/dbraw/zinc/20/05/56/608200556.db2.gz FOVTWISIAGLEAG-HOCLYGCPSA-N -1 3 394.479 2.819 20 10 GFCDHM COC1(CNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CCC1 ZINC000826143880 609172444 /nfs/dbraw/zinc/17/24/44/609172444.db2.gz UKONGKIZYNWTHX-UHFFFAOYSA-N -1 3 380.452 2.573 20 10 GFCDHM Cn1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(Cl)n1 ZINC000827095417 660478781 /nfs/dbraw/zinc/47/87/81/660478781.db2.gz FZYMITHMMBEFDR-CYBMUJFWSA-N -1 3 383.279 2.827 20 10 GFCDHM CCCCN(Cc1cccc(Br)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179613614 655315308 /nfs/dbraw/zinc/31/53/08/655315308.db2.gz NFNNSLLAXCSPOM-CYBMUJFWSA-N -1 3 376.316 2.944 20 10 GFCDHM Cc1nccn1CCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277506676 655323524 /nfs/dbraw/zinc/32/35/24/655323524.db2.gz RNNYZDFJAUFMAI-UHFFFAOYSA-N -1 3 381.274 2.939 20 10 GFCDHM C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Sc1ccccc1 ZINC000743730823 655731115 /nfs/dbraw/zinc/73/11/15/655731115.db2.gz FZWWAHNWTSHARB-LBPRGKRZSA-N -1 3 380.491 2.674 20 10 GFCDHM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000775942292 656695374 /nfs/dbraw/zinc/69/53/74/656695374.db2.gz MTPLLMUONAKJBV-CABZTGNLSA-N -1 3 380.388 2.567 20 10 GFCDHM CN1CCN(C(C)(C)CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000806361970 659830487 /nfs/dbraw/zinc/83/04/87/659830487.db2.gz OYMIOMIFKDMZTK-UHFFFAOYSA-N -1 3 389.327 2.524 20 10 GFCDHM O=C(NCc1cccc(Br)c1[O-])c1cc(CN2CCCC2)on1 ZINC000812558206 660030211 /nfs/dbraw/zinc/03/02/11/660030211.db2.gz WCHGWHINWJFLAL-UHFFFAOYSA-N -1 3 380.242 2.669 20 10 GFCDHM O=S(=O)([N-]CCCSc1nccs1)c1ccc(Cl)c2nonc21 ZINC000814382252 660078556 /nfs/dbraw/zinc/07/85/56/660078556.db2.gz LGZKVNWXKZYABI-UHFFFAOYSA-N -1 3 390.899 2.793 20 10 GFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000854580235 661941141 /nfs/dbraw/zinc/94/11/41/661941141.db2.gz SFYXFMNTXIINMJ-LLVKDONJSA-N -1 3 379.210 2.549 20 10 GFCDHM O=C(c1ccc(O)cc1)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862226517 662274930 /nfs/dbraw/zinc/27/49/30/662274930.db2.gz HWIIPQOHSOKARX-UHFFFAOYSA-N -1 3 391.265 2.818 20 10 GFCDHM CN(C)Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000880613523 662964036 /nfs/dbraw/zinc/96/40/36/662964036.db2.gz UNJNVKTYMLFKBY-UHFFFAOYSA-N -1 3 379.258 2.933 20 10 GFCDHM Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894095621 663442539 /nfs/dbraw/zinc/44/25/39/663442539.db2.gz RDJCWMKQAPNAMK-BZNIZROVSA-N -1 3 398.276 2.973 20 10 GFCDHM O=S1(=O)CCC[C@@]2(C(F)(F)F)CN(Cc3c([O-])cccc3Cl)C[C@H]21 ZINC000898455853 663650421 /nfs/dbraw/zinc/65/04/21/663650421.db2.gz CVCDBHKUDDVGNP-ZIAGYGMSSA-N -1 3 383.819 2.987 20 10 GFCDHM C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Br)c(F)cc1[O-] ZINC000903394980 663783507 /nfs/dbraw/zinc/78/35/07/663783507.db2.gz GDTOPVPXLINUSC-VHSXEESVSA-N -1 3 397.248 2.719 20 10 GFCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000063849089 551184365 /nfs/dbraw/zinc/18/43/65/551184365.db2.gz GJIMGHADRKNTIE-UHFFFAOYSA-N -1 3 384.479 2.648 20 10 GFCDHM CCOC(=O)CNC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000180771102 552235411 /nfs/dbraw/zinc/23/54/11/552235411.db2.gz NLWUKSNPNIHATL-UHFFFAOYSA-N -1 3 389.279 2.590 20 10 GFCDHM Cc1nccn1C[C@H](C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277698693 563221496 /nfs/dbraw/zinc/22/14/96/563221496.db2.gz HNIBNEABGQCVEV-LLVKDONJSA-N -1 3 381.274 2.795 20 10 GFCDHM CCn1cc([C@H]2CS(=O)(=O)CCN2Cc2cc(Cl)cc(C)c2[O-])cn1 ZINC000290656177 563717069 /nfs/dbraw/zinc/71/70/69/563717069.db2.gz ZIRNRDMFXOZQKQ-MRXNPFEDSA-N -1 3 383.901 2.542 20 10 GFCDHM CCOC(=O)CCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736593188 598844788 /nfs/dbraw/zinc/84/47/88/598844788.db2.gz YWHPPKUWBNSXCZ-UHFFFAOYSA-N -1 3 397.435 2.774 20 10 GFCDHM Cc1c(NC(=O)NCc2ccc3c(c2)CCCN3C)cccc1-c1nnn[n-]1 ZINC000822103354 607290852 /nfs/dbraw/zinc/29/08/52/607290852.db2.gz FTEGMJMEJBWUPO-UHFFFAOYSA-N -1 3 377.452 2.879 20 10 GFCDHM Cc1c(NC(=O)NCc2ccc3c(c2)CCCN3C)cccc1-c1nn[n-]n1 ZINC000822103354 607290853 /nfs/dbraw/zinc/29/08/53/607290853.db2.gz FTEGMJMEJBWUPO-UHFFFAOYSA-N -1 3 377.452 2.879 20 10 GFCDHM CCO[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000736613192 598611431 /nfs/dbraw/zinc/61/14/31/598611431.db2.gz RLWXOSFKYBNJPT-SFHVURJKSA-N -1 3 394.479 2.915 20 10 GFCDHM CO[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000736964104 598611467 /nfs/dbraw/zinc/61/14/67/598611467.db2.gz ZHCMZJKUSZHLIP-KRWDZBQOSA-N -1 3 380.452 2.525 20 10 GFCDHM Cc1cc(C(=O)NC2CCSCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233991 598611981 /nfs/dbraw/zinc/61/19/81/598611981.db2.gz ISWVXWNQVUUKRS-UHFFFAOYSA-N -1 3 382.493 2.900 20 10 GFCDHM Cc1cc(C(=O)N(C)Cc2cccnc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227626 598618055 /nfs/dbraw/zinc/61/80/55/598618055.db2.gz OCSUSBJFBVLZRZ-UHFFFAOYSA-N -1 3 387.447 2.941 20 10 GFCDHM Cc1cc(C(=O)N2CCOCC23CCC3)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258816 607428838 /nfs/dbraw/zinc/42/88/38/607428838.db2.gz XZLYSDAKEUNZJV-UHFFFAOYSA-N -1 3 392.463 2.669 20 10 GFCDHM O=C([O-])N1CCC[C@H](C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000740511378 603277059 /nfs/dbraw/zinc/27/70/59/603277059.db2.gz CORXDNXTSKUEAR-RHSMWYFYSA-N -1 3 381.904 2.990 20 10 GFCDHM CC[C@@H](O)CCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820931941 606323010 /nfs/dbraw/zinc/32/30/10/606323010.db2.gz KQRRKDAZJWPIPD-QGZVFWFLSA-N -1 3 382.468 2.555 20 10 GFCDHM CCn1cc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)cn1 ZINC000821565341 606336156 /nfs/dbraw/zinc/33/61/56/606336156.db2.gz OLTVAUMZVNLSHW-WCIBSUBMSA-N -1 3 389.491 2.550 20 10 GFCDHM CCn1cc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)cn1 ZINC000821565341 606336158 /nfs/dbraw/zinc/33/61/58/606336158.db2.gz OLTVAUMZVNLSHW-WCIBSUBMSA-N -1 3 389.491 2.550 20 10 GFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821220896 606574082 /nfs/dbraw/zinc/57/40/82/606574082.db2.gz FOKZQTNYDNAKOP-HNNXBMFYSA-N -1 3 394.479 2.749 20 10 GFCDHM Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)nc1 ZINC000822233470 606777357 /nfs/dbraw/zinc/77/73/57/606777357.db2.gz PSFUAFZSVQEQHY-ZSOIEALJSA-N -1 3 380.458 2.976 20 10 GFCDHM Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nn[n-]n3)C2=O)nc1 ZINC000822233470 606777359 /nfs/dbraw/zinc/77/73/59/606777359.db2.gz PSFUAFZSVQEQHY-ZSOIEALJSA-N -1 3 380.458 2.976 20 10 GFCDHM Cc1cc(C(=O)NC[C@H]2CCCS2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177236 606809365 /nfs/dbraw/zinc/80/93/65/606809365.db2.gz WNYNLHBSFYVYNH-MRXNPFEDSA-N -1 3 382.493 2.900 20 10 GFCDHM C[C@@H](NC(=O)NCCCSc1nccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820364412 607096852 /nfs/dbraw/zinc/09/68/52/607096852.db2.gz AHLRWQGVNUCYGC-LLVKDONJSA-N -1 3 389.510 2.866 20 10 GFCDHM C[C@@H](NC(=O)NCCCSc1nccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820364412 607096854 /nfs/dbraw/zinc/09/68/54/607096854.db2.gz AHLRWQGVNUCYGC-LLVKDONJSA-N -1 3 389.510 2.866 20 10 GFCDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCc1c(O)ccc2c1CCCC2 ZINC000822928731 607235073 /nfs/dbraw/zinc/23/50/73/607235073.db2.gz LOMSXQSXMKHBET-ZRDIBKRKSA-N -1 3 375.432 2.781 20 10 GFCDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCc1c(O)ccc2c1CCCC2 ZINC000822928731 607235074 /nfs/dbraw/zinc/23/50/74/607235074.db2.gz LOMSXQSXMKHBET-ZRDIBKRKSA-N -1 3 375.432 2.781 20 10 GFCDHM Cc1cc(C(=O)Nc2nc3cc[nH]cc-3n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260761 608039286 /nfs/dbraw/zinc/03/92/86/608039286.db2.gz DAINNFDKCDDONP-UHFFFAOYSA-N -1 3 399.418 2.798 20 10 GFCDHM CCc1nn(C)cc1NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825762760 608337349 /nfs/dbraw/zinc/33/73/49/608337349.db2.gz HWKHJRRYQJLDBV-UHFFFAOYSA-N -1 3 390.451 2.822 20 10 GFCDHM CN(C)c1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cc1F ZINC000825879695 608639757 /nfs/dbraw/zinc/63/97/57/608639757.db2.gz OLEJBLRADCRPHN-UHFFFAOYSA-N -1 3 399.449 2.533 20 10 GFCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000023398029 654538028 /nfs/dbraw/zinc/53/80/28/654538028.db2.gz CDOTZCJPLNTZBL-UHFFFAOYSA-N -1 3 378.834 2.651 20 10 GFCDHM CCN(CC(=O)Nc1c(C)n[nH]c1C)Cc1cc(Br)ccc1[O-] ZINC000174424914 655202302 /nfs/dbraw/zinc/20/23/02/655202302.db2.gz ZYHAOCDLOWUWGD-UHFFFAOYSA-N -1 3 381.274 2.955 20 10 GFCDHM CNS(=O)(=O)c1cccc2c1CCN(Cc1c([O-])cc(C)cc1Cl)C2 ZINC000840943293 661214529 /nfs/dbraw/zinc/21/45/29/661214529.db2.gz IPTSIVLZYYRFIE-UHFFFAOYSA-N -1 3 380.897 2.820 20 10 GFCDHM CC(C)[C@@H](C(=O)NCc1cccc(Br)c1[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC000765727266 656148854 /nfs/dbraw/zinc/14/88/54/656148854.db2.gz LEECSHZZPWMQTO-IOASZLSFSA-N -1 3 399.329 2.905 20 10 GFCDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000769237115 656268268 /nfs/dbraw/zinc/26/82/68/656268268.db2.gz ANIKQYACSGGPHD-CQSZACIVSA-N -1 3 380.242 2.989 20 10 GFCDHM CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cccc(Br)c2[O-])C1 ZINC000843432471 661381408 /nfs/dbraw/zinc/38/14/08/661381408.db2.gz MCJSJTRXWGUIOC-CYBMUJFWSA-N -1 3 381.192 2.655 20 10 GFCDHM O=C(NCc1n[nH]c([C@H]2CCCO2)n1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000847403424 661590701 /nfs/dbraw/zinc/59/07/01/661590701.db2.gz ZXGWOMKFUIFIFD-LLVKDONJSA-N -1 3 386.239 2.668 20 10 GFCDHM [O-]c1c(F)cc(Br)cc1CNCc1cccnc1N1CCOCC1 ZINC000882887518 663044593 /nfs/dbraw/zinc/04/45/93/663044593.db2.gz VODIZQMFTRCVLT-UHFFFAOYSA-N -1 3 396.260 2.815 20 10 GFCDHM CN(C)[S@](C)(=O)=NCC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000898400117 663648679 /nfs/dbraw/zinc/64/86/79/663648679.db2.gz WRPJWHGTXITYMD-XMMPIXPASA-N -1 3 377.913 2.971 20 10 GFCDHM Cc1cc(Br)cc(CN2CCC(CS(C)(=O)=O)CC2)c1[O-] ZINC000292827633 563796689 /nfs/dbraw/zinc/79/66/89/563796689.db2.gz QTGJYYRUMKHBOL-UHFFFAOYSA-N -1 3 376.316 2.720 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)Nc1cccn(C)c1=O ZINC000173528034 552087367 /nfs/dbraw/zinc/08/73/67/552087367.db2.gz NANHJMXDNDLORO-UHFFFAOYSA-N -1 3 380.242 2.907 20 10 GFCDHM COc1cc(Br)cc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1[O-] ZINC000247218453 553119967 /nfs/dbraw/zinc/11/99/67/553119967.db2.gz VVMIXAPDNSAMMI-RBSFLKMASA-N -1 3 386.286 2.932 20 10 GFCDHM Cn1cccc1C(=O)NC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000371416448 563276548 /nfs/dbraw/zinc/27/65/48/563276548.db2.gz MGMXHYOOJJSRGQ-UHFFFAOYSA-N -1 3 392.297 2.888 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCc1ccsc1 ZINC000283513758 563446572 /nfs/dbraw/zinc/44/65/72/563446572.db2.gz BWECKOQVWURYNU-UHFFFAOYSA-N -1 3 397.294 2.881 20 10 GFCDHM Cc1cc(Br)cc(CNC(c2nccn2C)c2nccn2C)c1[O-] ZINC000529644788 564846135 /nfs/dbraw/zinc/84/61/35/564846135.db2.gz OVNUQKAIXURPJB-UHFFFAOYSA-N -1 3 390.285 2.809 20 10 GFCDHM Cc1cc(C(=O)NCc2cscn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236439 598611820 /nfs/dbraw/zinc/61/18/20/598611820.db2.gz KQQNQHNHNAZSNS-UHFFFAOYSA-N -1 3 379.449 2.661 20 10 GFCDHM CN(Cc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736818763 599399679 /nfs/dbraw/zinc/39/96/79/599399679.db2.gz ARODKYGXFYAXHS-UHFFFAOYSA-N -1 3 384.871 2.993 20 10 GFCDHM CN(Cc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736818763 599399681 /nfs/dbraw/zinc/39/96/81/599399681.db2.gz ARODKYGXFYAXHS-UHFFFAOYSA-N -1 3 384.871 2.993 20 10 GFCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000826244577 607461651 /nfs/dbraw/zinc/46/16/51/607461651.db2.gz XLBAALJQYLUSAR-QGZVFWFLSA-N -1 3 393.447 2.702 20 10 GFCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000826244577 607461653 /nfs/dbraw/zinc/46/16/53/607461653.db2.gz XLBAALJQYLUSAR-QGZVFWFLSA-N -1 3 393.447 2.702 20 10 GFCDHM Cn1cc([C@]2(C)CN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)cn1 ZINC000833043941 602124408 /nfs/dbraw/zinc/12/44/08/602124408.db2.gz ZVMMXSZLCBMRNW-NRFANRHFSA-N -1 3 381.432 2.725 20 10 GFCDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000833412281 604955088 /nfs/dbraw/zinc/95/50/88/604955088.db2.gz SUPBVWHZCBOFOR-HRAATJIYSA-N -1 3 383.492 2.763 20 10 GFCDHM Cc1cc(C(=O)NC2CCC(C)(O)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167255 606587626 /nfs/dbraw/zinc/58/76/26/606587626.db2.gz BVPDBQUTFRRYSX-UHFFFAOYSA-N -1 3 394.479 2.698 20 10 GFCDHM Cc1cc(C)nc(N2CCN(Cc3ccc(Br)cc3[O-])CC2)n1 ZINC000825484240 660429585 /nfs/dbraw/zinc/42/95/85/660429585.db2.gz JHOOVROMDYALBB-UHFFFAOYSA-N -1 3 377.286 2.884 20 10 GFCDHM S=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Br)cc1 ZINC000826511686 660455932 /nfs/dbraw/zinc/45/59/32/660455932.db2.gz AQRZXNGQYWFROP-UHFFFAOYSA-N -1 3 390.270 2.943 20 10 GFCDHM C[C@H](NCc1nn(C)cc1I)c1cc(F)ccc1[O-] ZINC000834900033 660837499 /nfs/dbraw/zinc/83/74/99/660837499.db2.gz MQSFHNHZECVQAP-QMMMGPOBSA-N -1 3 375.185 2.720 20 10 GFCDHM [O-]c1c(Br)cccc1CNc1cc(N2CCCC[C@H]2CO)ncn1 ZINC000277476582 655321718 /nfs/dbraw/zinc/32/17/18/655321718.db2.gz QPBUEZAXDKVZML-ZDUSSCGKSA-N -1 3 393.285 2.908 20 10 GFCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000748639731 655793176 /nfs/dbraw/zinc/79/31/76/655793176.db2.gz GKCUSKYIOMWYMT-UHFFFAOYSA-N -1 3 380.491 2.738 20 10 GFCDHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]Cc2ccccc2O)c1 ZINC000751149357 655822091 /nfs/dbraw/zinc/82/20/91/655822091.db2.gz SXVVBZONZVMOTC-UHFFFAOYSA-N -1 3 387.211 2.541 20 10 GFCDHM Cc1ccc(S(=O)(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)o1 ZINC000773309918 656410138 /nfs/dbraw/zinc/41/01/38/656410138.db2.gz RXJWHEMFOMKGJF-HNNXBMFYSA-N -1 3 384.885 2.890 20 10 GFCDHM O=S(=O)(c1cccc(Cl)c1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778992512 656896905 /nfs/dbraw/zinc/89/69/05/656896905.db2.gz KJCPLMZRHJOBGE-UHFFFAOYSA-N -1 3 384.860 2.691 20 10 GFCDHM CCCN(Cc1cc(C)cc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000781893960 657086970 /nfs/dbraw/zinc/08/69/70/657086970.db2.gz AOXYSFGMWMKCKP-ZDUSSCGKSA-N -1 3 376.316 2.862 20 10 GFCDHM O=S(=O)([N-]CC[NH2+]Cc1cccc(Cl)c1[O-])c1ccc(Cl)cc1F ZINC000799736316 659218104 /nfs/dbraw/zinc/21/81/04/659218104.db2.gz NDPOUZHUOCUJSP-UHFFFAOYSA-N -1 3 393.267 2.906 20 10 GFCDHM O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cc([O-])ccc1Cl ZINC000810195882 659966020 /nfs/dbraw/zinc/96/60/20/659966020.db2.gz FIPTZHVQUZLMBN-UHFFFAOYSA-N -1 3 380.853 2.533 20 10 GFCDHM COC[C@H](C)NS(=O)(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000863985892 662352187 /nfs/dbraw/zinc/35/21/87/662352187.db2.gz PVMKGGIMODSQPS-LBPRGKRZSA-N -1 3 384.885 2.971 20 10 GFCDHM C[C@H](NCc1c(I)cnn1C)c1cc(F)cc(F)c1[O-] ZINC000866631035 662485573 /nfs/dbraw/zinc/48/55/73/662485573.db2.gz CJJXZZUHGGZEJS-ZETCQYMHSA-N -1 3 393.175 2.859 20 10 GFCDHM Cc1cc([C@@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)cs1 ZINC000364906804 563767779 /nfs/dbraw/zinc/76/77/79/563767779.db2.gz LDVURIBSQZRREB-GFCCVEGCSA-N -1 3 380.491 2.763 20 10 GFCDHM CN(C)c1ccc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000736774133 598467746 /nfs/dbraw/zinc/46/77/46/598467746.db2.gz RNBGSZBSTDWAIO-UHFFFAOYSA-N -1 3 391.479 2.807 20 10 GFCDHM CN(C)c1ccc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000736774133 598467747 /nfs/dbraw/zinc/46/77/47/598467747.db2.gz RNBGSZBSTDWAIO-UHFFFAOYSA-N -1 3 391.479 2.807 20 10 GFCDHM CCO[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000736613191 598611599 /nfs/dbraw/zinc/61/15/99/598611599.db2.gz RLWXOSFKYBNJPT-GOSISDBHSA-N -1 3 394.479 2.915 20 10 GFCDHM COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737106754 598772580 /nfs/dbraw/zinc/77/25/80/598772580.db2.gz XJOMJMYIGBQDED-RYUDHWBXSA-N -1 3 382.424 2.702 20 10 GFCDHM COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737106754 598772583 /nfs/dbraw/zinc/77/25/83/598772583.db2.gz XJOMJMYIGBQDED-RYUDHWBXSA-N -1 3 382.424 2.702 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822205953 599484916 /nfs/dbraw/zinc/48/49/16/599484916.db2.gz OOKHSIROYRIZPA-AWEZNQCLSA-N -1 3 379.468 2.802 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822205953 599484918 /nfs/dbraw/zinc/48/49/18/599484918.db2.gz OOKHSIROYRIZPA-AWEZNQCLSA-N -1 3 379.468 2.802 20 10 GFCDHM C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374903 599485684 /nfs/dbraw/zinc/48/56/84/599485684.db2.gz SWKVORYGAZGAAO-LBPRGKRZSA-N -1 3 383.431 2.632 20 10 GFCDHM C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374903 599485687 /nfs/dbraw/zinc/48/56/87/599485687.db2.gz SWKVORYGAZGAAO-LBPRGKRZSA-N -1 3 383.431 2.632 20 10 GFCDHM Cc1cc(C(=O)OCCOCC2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822184448 599660375 /nfs/dbraw/zinc/66/03/75/599660375.db2.gz URSTWERJNQJQCC-UHFFFAOYSA-N -1 3 381.436 2.858 20 10 GFCDHM Cc1cc(C(=O)N2CCc3ncccc3C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258353 607568920 /nfs/dbraw/zinc/56/89/20/607568920.db2.gz IJJRNSQHPNLUEF-UHFFFAOYSA-N -1 3 399.458 2.868 20 10 GFCDHM COc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])cc1-c1nnn[n-]1 ZINC000826202855 607569993 /nfs/dbraw/zinc/56/99/93/607569993.db2.gz QAXODQUCHNYMDB-UHFFFAOYSA-N -1 3 390.241 2.633 20 10 GFCDHM COc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])cc1-c1nn[n-]n1 ZINC000826202855 607569995 /nfs/dbraw/zinc/56/99/95/607569995.db2.gz QAXODQUCHNYMDB-UHFFFAOYSA-N -1 3 390.241 2.633 20 10 GFCDHM COc1ccc(-c2nnn[n-]2)cc1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000826181833 607634065 /nfs/dbraw/zinc/63/40/65/607634065.db2.gz PGIQBZDGSJGBBG-UHFFFAOYSA-N -1 3 385.424 2.538 20 10 GFCDHM COc1ccc(-c2nn[n-]n2)cc1CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000826181833 607634066 /nfs/dbraw/zinc/63/40/66/607634066.db2.gz PGIQBZDGSJGBBG-UHFFFAOYSA-N -1 3 385.424 2.538 20 10 GFCDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000823078835 606276304 /nfs/dbraw/zinc/27/63/04/606276304.db2.gz UPLWYIQDVLJGQP-UHFFFAOYSA-N -1 3 396.414 2.758 20 10 GFCDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000823078835 606276305 /nfs/dbraw/zinc/27/63/05/606276305.db2.gz UPLWYIQDVLJGQP-UHFFFAOYSA-N -1 3 396.414 2.758 20 10 GFCDHM Cc1cc(C(=O)OC[C@@H]2CCCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822184666 607081654 /nfs/dbraw/zinc/08/16/54/607081654.db2.gz ZAYFFPXDCRHFGV-OAHLLOKOSA-N -1 3 381.436 2.858 20 10 GFCDHM Cc1c(NC(=S)NCCCN(C)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822116862 607252161 /nfs/dbraw/zinc/25/21/61/607252161.db2.gz ZHZTUBTWSBHRRQ-UHFFFAOYSA-N -1 3 381.509 2.988 20 10 GFCDHM Cc1c(NC(=S)NCCCN(C)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822116862 607252162 /nfs/dbraw/zinc/25/21/62/607252162.db2.gz ZHZTUBTWSBHRRQ-UHFFFAOYSA-N -1 3 381.509 2.988 20 10 GFCDHM Cc1cc(C(=O)N(C)[C@H]2CCSC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257155 607919152 /nfs/dbraw/zinc/91/91/52/607919152.db2.gz PWPBLHVUGYNUHQ-INIZCTEOSA-N -1 3 382.493 2.852 20 10 GFCDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(N2CCOCC2)cc1 ZINC000825782340 607975251 /nfs/dbraw/zinc/97/52/51/607975251.db2.gz DGFYFYHZZVSLGI-UHFFFAOYSA-N -1 3 375.436 2.740 20 10 GFCDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(N2CCOCC2)cc1 ZINC000825782340 607975252 /nfs/dbraw/zinc/97/52/52/607975252.db2.gz DGFYFYHZZVSLGI-UHFFFAOYSA-N -1 3 375.436 2.740 20 10 GFCDHM Cc1cc(C(=O)NC(C)(C)C(C)(C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258455 609262958 /nfs/dbraw/zinc/26/29/58/609262958.db2.gz MGDIAQBGPSEJEL-UHFFFAOYSA-N -1 3 382.468 2.554 20 10 GFCDHM C[C@H]1CN(Cc2c([O-])ccc3cc(Br)ccc32)CCS1(=O)=O ZINC000151573589 655052662 /nfs/dbraw/zinc/05/26/62/655052662.db2.gz JZWMCCBBDOMJLW-NSHDSACASA-N -1 3 384.295 2.927 20 10 GFCDHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000763578434 656086532 /nfs/dbraw/zinc/08/65/32/656086532.db2.gz NVFRPSLGEOCTHM-CYBMUJFWSA-N -1 3 381.523 2.582 20 10 GFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CSCCS1 ZINC000771055747 656338624 /nfs/dbraw/zinc/33/86/24/656338624.db2.gz DGLVCRCUHAXVBG-GOEBONIOSA-N -1 3 386.970 2.975 20 10 GFCDHM COC(=O)C(C)(C)N1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000779191737 656904118 /nfs/dbraw/zinc/90/41/18/656904118.db2.gz UEPNLSCUZLEVMY-UHFFFAOYSA-N -1 3 385.302 2.532 20 10 GFCDHM C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1[O-] ZINC000799725777 659217700 /nfs/dbraw/zinc/21/77/00/659217700.db2.gz IRWAAYNAFKTKGO-JTQLQIEISA-N -1 3 390.839 2.953 20 10 GFCDHM Cn1ccnc1C(NCc1c([O-])cccc1Br)c1nccn1C ZINC000858222611 662105098 /nfs/dbraw/zinc/10/50/98/662105098.db2.gz CYSKJMSOLQZVKE-UHFFFAOYSA-N -1 3 376.258 2.501 20 10 GFCDHM Cc1cc(Br)c([O-])c(CN2CCN(CCc3cnccn3)CC2)c1 ZINC000877703295 662882262 /nfs/dbraw/zinc/88/22/62/662882262.db2.gz AFSZTXSEIIYAGD-UHFFFAOYSA-N -1 3 391.313 2.613 20 10 GFCDHM NCc1nc2c(s1)CCN(C(=O)NCc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000892879816 663388107 /nfs/dbraw/zinc/38/81/07/663388107.db2.gz UTPUTZWNRAXZFB-UHFFFAOYSA-N -1 3 387.292 2.882 20 10 GFCDHM O=C(NCc1c([O-])cccc1F)c1cc(Br)cn(C2CC2)c1=O ZINC000928710235 664737498 /nfs/dbraw/zinc/73/74/98/664737498.db2.gz QSFKXSURGYQKSI-UHFFFAOYSA-N -1 3 381.201 2.720 20 10 GFCDHM COc1c([O-])c(CN[C@@H](CO)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000278505539 563259362 /nfs/dbraw/zinc/25/93/62/563259362.db2.gz ORJQTSCJSQGOOI-ZDUSSCGKSA-N -1 3 397.225 2.895 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000378095801 563496288 /nfs/dbraw/zinc/49/62/88/563496288.db2.gz CHXVYVDTPFSTHT-AWEZNQCLSA-N -1 3 393.285 2.967 20 10 GFCDHM Cc1ccc(C(=O)N2CCC(n3cc(Br)cn3)CC2)c([O-])c1O ZINC000378560351 563511440 /nfs/dbraw/zinc/51/14/40/563511440.db2.gz RYAJATXROJBFIO-UHFFFAOYSA-N -1 3 380.242 2.843 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C[C@@H]1CCCCC(=O)N1 ZINC000366966625 563826043 /nfs/dbraw/zinc/82/60/43/563826043.db2.gz PSBSLLOPZLBLOJ-AWEZNQCLSA-N -1 3 383.286 2.952 20 10 GFCDHM Cc1cc(C(=O)NCc2cc(Br)ccc2[O-])nn1C1CCOCC1 ZINC000529375930 564832362 /nfs/dbraw/zinc/83/23/62/564832362.db2.gz AQGCDBOSTRKGGL-UHFFFAOYSA-N -1 3 394.269 2.941 20 10 GFCDHM CCc1cc(CNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)on1 ZINC000736676644 599041607 /nfs/dbraw/zinc/04/16/07/599041607.db2.gz RDXRKGWDHXHSBJ-UHFFFAOYSA-N -1 3 391.435 2.755 20 10 GFCDHM CN1CCCc2cc(C=C3N=C(c4ccc(-c5nnn[n-]5)cc4)OC3=O)ccc21 ZINC000736858368 598378144 /nfs/dbraw/zinc/37/81/44/598378144.db2.gz XYJMABAOGSQCTP-ATVHPVEESA-N -1 3 386.415 2.594 20 10 GFCDHM CN1CCCc2cc(C=C3N=C(c4ccc(-c5nn[n-]n5)cc4)OC3=O)ccc21 ZINC000736858368 598378145 /nfs/dbraw/zinc/37/81/45/598378145.db2.gz XYJMABAOGSQCTP-ATVHPVEESA-N -1 3 386.415 2.594 20 10 GFCDHM COC1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CC1 ZINC000736962107 598610059 /nfs/dbraw/zinc/61/00/59/598610059.db2.gz OCPAKPLILDZDEA-UHFFFAOYSA-N -1 3 380.452 2.525 20 10 GFCDHM CCCCOCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736462404 598611611 /nfs/dbraw/zinc/61/16/11/598611611.db2.gz AWXXDYONCDVNPA-UHFFFAOYSA-N -1 3 382.468 2.821 20 10 GFCDHM Cc1cc(C(=O)O[C@H](C)c2nnc(C)o2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737523613 598623670 /nfs/dbraw/zinc/62/36/70/598623670.db2.gz WPKXZGGUEDGKGK-GFCCVEGCSA-N -1 3 393.407 2.884 20 10 GFCDHM CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C[C@@H](C)O1 ZINC000736408905 598695343 /nfs/dbraw/zinc/69/53/43/598695343.db2.gz KUKKFTGZCCFBTN-RDTXWAMCSA-N -1 3 394.479 2.914 20 10 GFCDHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NCc1c(O)ccc2c1CCCC2 ZINC000823238502 599467845 /nfs/dbraw/zinc/46/78/45/599467845.db2.gz OHEOBXUKPSJVHG-UHFFFAOYSA-N -1 3 396.426 2.590 20 10 GFCDHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NCc1c(O)ccc2c1CCCC2 ZINC000823238502 599467847 /nfs/dbraw/zinc/46/78/47/599467847.db2.gz OHEOBXUKPSJVHG-UHFFFAOYSA-N -1 3 396.426 2.590 20 10 GFCDHM CSCCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000821962658 606394073 /nfs/dbraw/zinc/39/40/73/606394073.db2.gz VEXHCCTVAGHEIU-JXMROGBWSA-N -1 3 383.549 2.883 20 10 GFCDHM COCCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157512 608005770 /nfs/dbraw/zinc/00/57/70/608005770.db2.gz YNBSTUHWHRLGQL-OQFOIZHKSA-N -1 3 384.827 2.608 20 10 GFCDHM COCCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157512 608005771 /nfs/dbraw/zinc/00/57/71/608005771.db2.gz YNBSTUHWHRLGQL-OQFOIZHKSA-N -1 3 384.827 2.608 20 10 GFCDHM Cc1cc(C(=O)N2CCC[C@H]2C(C)(C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257542 608203031 /nfs/dbraw/zinc/20/30/31/608203031.db2.gz GWVFBTWUJBKZCQ-SFHVURJKSA-N -1 3 394.479 2.650 20 10 GFCDHM COCCN(Cc1cccc(-c2nnn[n-]2)c1F)c1ccc(OC)c(OC)c1 ZINC000826159032 608406190 /nfs/dbraw/zinc/40/61/90/608406190.db2.gz NNKLNUWHRLZZFP-UHFFFAOYSA-N -1 3 387.415 2.676 20 10 GFCDHM COCCN(Cc1cccc(-c2nn[n-]n2)c1F)c1ccc(OC)c(OC)c1 ZINC000826159032 608406191 /nfs/dbraw/zinc/40/61/91/608406191.db2.gz NNKLNUWHRLZZFP-UHFFFAOYSA-N -1 3 387.415 2.676 20 10 GFCDHM COc1ccc(N2CCC(Nc3cc(-c4nnn[n-]4)ccc3OC)CC2)cc1 ZINC000826209138 609365886 /nfs/dbraw/zinc/36/58/86/609365886.db2.gz OKLIXQCGTFQOFH-UHFFFAOYSA-N -1 3 380.452 2.965 20 10 GFCDHM COc1ccc(N2CCC(Nc3cc(-c4nn[n-]n4)ccc3OC)CC2)cc1 ZINC000826209138 609365889 /nfs/dbraw/zinc/36/58/89/609365889.db2.gz OKLIXQCGTFQOFH-UHFFFAOYSA-N -1 3 380.452 2.965 20 10 GFCDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000825632563 609477833 /nfs/dbraw/zinc/47/78/33/609477833.db2.gz WXERHQWWVOISLF-UHFFFAOYSA-N -1 3 380.452 2.714 20 10 GFCDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000825632563 609477835 /nfs/dbraw/zinc/47/78/35/609477835.db2.gz WXERHQWWVOISLF-UHFFFAOYSA-N -1 3 380.452 2.714 20 10 GFCDHM COc1ccc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)nc1 ZINC000825305581 660419737 /nfs/dbraw/zinc/41/97/37/660419737.db2.gz OARDYCGWJKZBKU-UHFFFAOYSA-N -1 3 378.270 2.881 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(Cl)cccc3C2)c1 ZINC000155718146 655086875 /nfs/dbraw/zinc/08/68/75/655086875.db2.gz LZEWLSYDIRAFGR-UHFFFAOYSA-N -1 3 380.853 2.616 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCc2ccc(Cl)cc2)c1 ZINC000156060018 655089394 /nfs/dbraw/zinc/08/93/94/655089394.db2.gz NUSAFYSCOKYTPG-UHFFFAOYSA-N -1 3 382.869 2.780 20 10 GFCDHM CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(Br)ccc2[O-])cn1 ZINC000754153890 655864340 /nfs/dbraw/zinc/86/43/40/655864340.db2.gz KGQGKAJCOOJNBM-NPMXOYFQSA-N -1 3 398.326 2.677 20 10 GFCDHM O=C1NCCN(Cc2cc(F)ccc2[O-])[C@@H]1c1cccc(Br)c1 ZINC000779029495 656897767 /nfs/dbraw/zinc/89/77/67/656897767.db2.gz HGCGBIVNWOHZIH-MRXNPFEDSA-N -1 3 379.229 2.967 20 10 GFCDHM Cc1cc(Br)c([O-])c(CN2CCc3cc(S(N)(=O)=O)ccc32)c1 ZINC000781892387 657086157 /nfs/dbraw/zinc/08/61/57/657086157.db2.gz AYXCWHCELIRFFY-UHFFFAOYSA-N -1 3 397.294 2.673 20 10 GFCDHM O=C(N[C@@H]1CCN(c2cccc(Br)c2)C1)c1cccc(O)c1[O-] ZINC000787662327 657582856 /nfs/dbraw/zinc/58/28/56/657582856.db2.gz SLOMKUSFBUPRCY-GFCCVEGCSA-N -1 3 377.238 2.869 20 10 GFCDHM COC(=O)[C@H](NCc1cc(Br)ccc1[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC000846108078 661533205 /nfs/dbraw/zinc/53/32/05/661533205.db2.gz MXSOMKWYEMJHFL-DJSGYFEHSA-N -1 3 386.286 2.991 20 10 GFCDHM Cc1cc([O-])c(CNCc2c(I)cnn2C)c(Cl)c1 ZINC000865869040 662448692 /nfs/dbraw/zinc/44/86/92/662448692.db2.gz UKXQOGDYWGQUOO-UHFFFAOYSA-N -1 3 391.640 2.982 20 10 GFCDHM O=C(NCCCCn1cc(Br)cn1)NCc1c([O-])cccc1F ZINC000922262219 664592192 /nfs/dbraw/zinc/59/21/92/664592192.db2.gz FWRQCIDCODUBPQ-UHFFFAOYSA-N -1 3 385.237 2.770 20 10 GFCDHM CCC(=O)N1CC[C@H](NC(=O)N(CC)Cc2cc(Br)ccc2[O-])C1 ZINC000151737583 551420560 /nfs/dbraw/zinc/42/05/60/551420560.db2.gz YBLSVNAIMOZDQW-AWEZNQCLSA-N -1 3 398.301 2.697 20 10 GFCDHM COc1cc(Cl)cc(CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1[O-] ZINC000184684237 552342379 /nfs/dbraw/zinc/34/23/79/552342379.db2.gz FHKQWKIUDDRUGI-NSHDSACASA-N -1 3 384.885 2.895 20 10 GFCDHM COCc1nc([C@H]2COCCN2Cc2cc(Br)cc(C)c2[O-])no1 ZINC000378534057 563510783 /nfs/dbraw/zinc/51/07/83/563510783.db2.gz BUAGFOYUIOIIES-CYBMUJFWSA-N -1 3 398.257 2.566 20 10 GFCDHM C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820372575 599445280 /nfs/dbraw/zinc/44/52/80/599445280.db2.gz AWZADNIDZUPWPQ-HNNXBMFYSA-N -1 3 389.463 2.803 20 10 GFCDHM C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820372575 599445282 /nfs/dbraw/zinc/44/52/82/599445282.db2.gz AWZADNIDZUPWPQ-HNNXBMFYSA-N -1 3 389.463 2.803 20 10 GFCDHM CO[C@@H](CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(C)C ZINC000821677364 599653719 /nfs/dbraw/zinc/65/37/19/599653719.db2.gz VFWTYUQULXCCQX-SFHVURJKSA-N -1 3 382.468 2.675 20 10 GFCDHM CN(c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1)C1CCCCC1 ZINC000826004355 607708507 /nfs/dbraw/zinc/70/85/07/607708507.db2.gz UEHJVJRUTLXKSJ-UHFFFAOYSA-N -1 3 379.468 2.894 20 10 GFCDHM CN(c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1)C1CCCCC1 ZINC000826004355 607708508 /nfs/dbraw/zinc/70/85/08/607708508.db2.gz UEHJVJRUTLXKSJ-UHFFFAOYSA-N -1 3 379.468 2.894 20 10 GFCDHM Cc1cc(C(=O)N2CCO[C@H](C)[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167264 607067389 /nfs/dbraw/zinc/06/73/89/607067389.db2.gz CCIQRNQHLOVQNT-DZGCQCFKSA-N -1 3 380.452 2.524 20 10 GFCDHM Cc1cc(C(=O)N[C@H](CO)CC(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258655 608163453 /nfs/dbraw/zinc/16/34/53/608163453.db2.gz RDNPSUGAYZJRNB-INIZCTEOSA-N -1 3 396.495 2.801 20 10 GFCDHM C[C@@H](NCc1nn(C)cc1I)c1cc(F)ccc1[O-] ZINC000834900028 660837580 /nfs/dbraw/zinc/83/75/80/660837580.db2.gz MQSFHNHZECVQAP-MRVPVSSYSA-N -1 3 375.185 2.720 20 10 GFCDHM O=S(=O)([N-]Cc1ccc(N2CCSCC2)cc1)c1cccnc1Cl ZINC000738354382 655689597 /nfs/dbraw/zinc/68/95/97/655689597.db2.gz NYCLFKIBEWYTLA-UHFFFAOYSA-N -1 3 383.926 2.767 20 10 GFCDHM COc1ccc(N2CCC([N-]S(=O)(=O)c3cccnc3Cl)CC2)cc1 ZINC000738372654 655690226 /nfs/dbraw/zinc/69/02/26/655690226.db2.gz MXPVPAHCKYRXRK-UHFFFAOYSA-N -1 3 381.885 2.691 20 10 GFCDHM CN(C)S(=O)(=O)c1cccc2c1CCN(Cc1c([O-])cccc1Cl)C2 ZINC000793614172 658417213 /nfs/dbraw/zinc/41/72/13/658417213.db2.gz OMYNNRAZGDUPMG-UHFFFAOYSA-N -1 3 380.897 2.854 20 10 GFCDHM CS(=O)(=O)N1CCC(N(Cc2cc(Cl)ccc2[O-])CC(F)F)CC1 ZINC000802658108 659492758 /nfs/dbraw/zinc/49/27/58/659492758.db2.gz KACQNBWVWNZPAL-UHFFFAOYSA-N -1 3 382.860 2.537 20 10 GFCDHM O=S(=O)(c1ccccc1)N1CC[C@H](NCc2c([O-])ccc(Cl)c2F)C1 ZINC000808434260 659894224 /nfs/dbraw/zinc/89/42/24/659894224.db2.gz ZLCXEBURQOZUPO-LBPRGKRZSA-N -1 3 384.860 2.738 20 10 GFCDHM COCCc1ncc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])s1 ZINC000876714930 662865415 /nfs/dbraw/zinc/86/54/15/662865415.db2.gz GJNJGSLMPDNJRH-UHFFFAOYSA-N -1 3 384.885 2.866 20 10 GFCDHM NC(=O)Cc1cccc2c1CCN(Cc1ccc(Br)cc1[O-])C2 ZINC000877678937 662881615 /nfs/dbraw/zinc/88/16/15/662881615.db2.gz VGPZKTSSMOQHMY-UHFFFAOYSA-N -1 3 375.266 2.741 20 10 GFCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1CCN1C1CCOCC1 ZINC000927636520 664713101 /nfs/dbraw/zinc/71/31/01/664713101.db2.gz YPLQLCWVOPKOLV-AWEZNQCLSA-N -1 3 388.295 2.752 20 10 GFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1C ZINC000055668550 551174372 /nfs/dbraw/zinc/17/43/72/551174372.db2.gz QITLVNSZQBVEQL-UHFFFAOYSA-N -1 3 384.479 2.566 20 10 GFCDHM CCN(C)C(=O)[C@@H](C)NC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000188027191 552431865 /nfs/dbraw/zinc/43/18/65/552431865.db2.gz ACKQCUPVJSQONV-LLVKDONJSA-N -1 3 386.290 2.553 20 10 GFCDHM COc1cc(Br)cc(CN2CCOC3(CCOCC3)CC2)c1[O-] ZINC000375080580 563389534 /nfs/dbraw/zinc/38/95/34/563389534.db2.gz XJDPZLBSHUBWCP-UHFFFAOYSA-N -1 3 386.286 2.935 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C[C@@H]1CCCS(=O)(=O)C1 ZINC000283911793 563458854 /nfs/dbraw/zinc/45/88/54/563458854.db2.gz BTXKIPHOUUQSRW-LBPRGKRZSA-N -1 3 376.316 2.801 20 10 GFCDHM CCn1cnnc1[C@H]1CN([C@H](C)c2cc(Br)ccc2[O-])CCO1 ZINC000365527263 563786069 /nfs/dbraw/zinc/78/60/69/563786069.db2.gz HLYVFGXUWPQJMD-IAQYHMDHSA-N -1 3 381.274 2.901 20 10 GFCDHM Oc1ccc2c(c1CNC(=S)Nc1ccccc1-c1nnn[n-]1)CCCC2 ZINC000738401146 599176287 /nfs/dbraw/zinc/17/62/87/599176287.db2.gz PFCVMGSZCAUICI-UHFFFAOYSA-N -1 3 380.477 2.938 20 10 GFCDHM Oc1ccc2c(c1CNC(=S)Nc1ccccc1-c1nn[n-]n1)CCCC2 ZINC000738401146 599176289 /nfs/dbraw/zinc/17/62/89/599176289.db2.gz PFCVMGSZCAUICI-UHFFFAOYSA-N -1 3 380.477 2.938 20 10 GFCDHM Cc1cc(C(=O)NC[C@@H](O)CC(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235345 599239740 /nfs/dbraw/zinc/23/97/40/599239740.db2.gz SSGJCHQRWRHTGI-KRWDZBQOSA-N -1 3 396.495 2.801 20 10 GFCDHM CN1CCCc2cc(C=C3N=C(c4ccc(-c5nnn[n-]5)cc4)OC3=O)ccc21 ZINC000736858369 598377988 /nfs/dbraw/zinc/37/79/88/598377988.db2.gz XYJMABAOGSQCTP-SFQUDFHCSA-N -1 3 386.415 2.594 20 10 GFCDHM CN1CCCc2cc(C=C3N=C(c4ccc(-c5nn[n-]n5)cc4)OC3=O)ccc21 ZINC000736858369 598377990 /nfs/dbraw/zinc/37/79/90/598377990.db2.gz XYJMABAOGSQCTP-SFQUDFHCSA-N -1 3 386.415 2.594 20 10 GFCDHM CCN1CCN(c2ccc(CNc3cccc(F)c3-c3nnn[n-]3)cc2F)CC1 ZINC000736567897 598389615 /nfs/dbraw/zinc/38/96/15/598389615.db2.gz GXVIULWYOLUOQP-UHFFFAOYSA-N -1 3 399.449 2.899 20 10 GFCDHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000736136064 598391763 /nfs/dbraw/zinc/39/17/63/598391763.db2.gz DKRBVFRGMCYUOD-GFCCVEGCSA-N -1 3 385.859 2.925 20 10 GFCDHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000736136064 598391765 /nfs/dbraw/zinc/39/17/65/598391765.db2.gz DKRBVFRGMCYUOD-GFCCVEGCSA-N -1 3 385.859 2.925 20 10 GFCDHM Cc1cc(C(=O)N(C)C[C@@H]2CCCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226522 598466603 /nfs/dbraw/zinc/46/66/03/598466603.db2.gz BGHPBUQBVKOEAL-INIZCTEOSA-N -1 3 394.479 2.773 20 10 GFCDHM CC1CCN(c2ccc(CNC(=O)Cc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000736278967 598497531 /nfs/dbraw/zinc/49/75/31/598497531.db2.gz IFGQHTRUCWFERX-UHFFFAOYSA-N -1 3 390.491 2.962 20 10 GFCDHM CC1CCN(c2ccc(CNC(=O)Cc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000736278967 598497533 /nfs/dbraw/zinc/49/75/33/598497533.db2.gz IFGQHTRUCWFERX-UHFFFAOYSA-N -1 3 390.491 2.962 20 10 GFCDHM Cc1cc(COC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)no1 ZINC000737265615 598621674 /nfs/dbraw/zinc/62/16/74/598621674.db2.gz YCAPYSQNGOAZKV-UHFFFAOYSA-N -1 3 378.392 2.928 20 10 GFCDHM Cc1noc([C@H](C)OC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000737538960 598623773 /nfs/dbraw/zinc/62/37/73/598623773.db2.gz RKHBOQQXOOIDLV-LBPRGKRZSA-N -1 3 393.407 2.884 20 10 GFCDHM CN(Cc1ccc(N2CCCCC2)cc1)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821610809 599319880 /nfs/dbraw/zinc/31/98/80/599319880.db2.gz GDNLTDRATIFBFP-UHFFFAOYSA-N -1 3 394.439 2.797 20 10 GFCDHM CN(Cc1ccc(N2CCCCC2)cc1)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821610809 599319882 /nfs/dbraw/zinc/31/98/82/599319882.db2.gz GDNLTDRATIFBFP-UHFFFAOYSA-N -1 3 394.439 2.797 20 10 GFCDHM COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821839655 607154661 /nfs/dbraw/zinc/15/46/61/607154661.db2.gz WSKYXFXJEJXDKB-LBPRGKRZSA-N -1 3 397.435 2.616 20 10 GFCDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000826497927 608076942 /nfs/dbraw/zinc/07/69/42/608076942.db2.gz ZFFCDMJCKQSDJJ-HNNXBMFYSA-N -1 3 396.407 2.666 20 10 GFCDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000826497927 608076943 /nfs/dbraw/zinc/07/69/43/608076943.db2.gz ZFFCDMJCKQSDJJ-HNNXBMFYSA-N -1 3 396.407 2.666 20 10 GFCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826401275 609469370 /nfs/dbraw/zinc/46/93/70/609469370.db2.gz UKJXUNGYNGFOBA-WAPJZHGLSA-N -1 3 389.415 2.607 20 10 GFCDHM O=C(C=Cc1ccc(O)c(O)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826401275 609469372 /nfs/dbraw/zinc/46/93/72/609469372.db2.gz UKJXUNGYNGFOBA-WAPJZHGLSA-N -1 3 389.415 2.607 20 10 GFCDHM Cc1ccnc(N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826309272 609581354 /nfs/dbraw/zinc/58/13/54/609581354.db2.gz JUPHUQALSBFKGQ-SFHVURJKSA-N -1 3 393.495 2.822 20 10 GFCDHM Cc1ccnc(N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826309272 609581356 /nfs/dbraw/zinc/58/13/56/609581356.db2.gz JUPHUQALSBFKGQ-SFHVURJKSA-N -1 3 393.495 2.822 20 10 GFCDHM CCc1nnsc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134259748 654988688 /nfs/dbraw/zinc/98/86/88/654988688.db2.gz YPTRLEYTKNEXDC-CYBMUJFWSA-N -1 3 380.901 2.854 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCc2cccc(Cl)c2)c1 ZINC000195265541 655419628 /nfs/dbraw/zinc/41/96/28/655419628.db2.gz VYFGSJJSSDEVKM-UHFFFAOYSA-N -1 3 382.869 2.780 20 10 GFCDHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)c1 ZINC000749254316 655802236 /nfs/dbraw/zinc/80/22/36/655802236.db2.gz DQAAUOBZELIZJZ-UHFFFAOYSA-N -1 3 380.491 2.613 20 10 GFCDHM COc1ccc(O)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000751415023 655826733 /nfs/dbraw/zinc/82/67/33/655826733.db2.gz IQSYGKSCLOGLCL-UHFFFAOYSA-N -1 3 386.813 2.749 20 10 GFCDHM CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(Br)ccc2[O-])cn1 ZINC000754153888 655864391 /nfs/dbraw/zinc/86/43/91/655864391.db2.gz KGQGKAJCOOJNBM-CMJOXMDJSA-N -1 3 398.326 2.677 20 10 GFCDHM NC(=O)CN1C(=O)/C(=C\c2cc(Cl)c3ccccc3c2[O-])SC1=S ZINC000774548040 656536972 /nfs/dbraw/zinc/53/69/72/656536972.db2.gz STYHSOQMXPPERO-WUXMJOGZSA-N -1 3 378.862 2.885 20 10 GFCDHM COc1cc(Br)c(CNC(=O)c2cccc(O)c2[O-])cc1OC ZINC000776642907 656774095 /nfs/dbraw/zinc/77/40/95/656774095.db2.gz ARCZFCQAMSOXHO-UHFFFAOYSA-N -1 3 382.210 2.808 20 10 GFCDHM O=C1NCCN(Cc2cc(F)ccc2[O-])[C@H]1c1cccc(Br)c1 ZINC000779029494 656897695 /nfs/dbraw/zinc/89/76/95/656897695.db2.gz HGCGBIVNWOHZIH-INIZCTEOSA-N -1 3 379.229 2.967 20 10 GFCDHM O=C(NC[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000790609513 658002265 /nfs/dbraw/zinc/00/22/65/658002265.db2.gz LMYMTASJZFOQIV-OAHLLOKOSA-N -1 3 375.730 2.931 20 10 GFCDHM CN(C)S(=O)(=O)c1ccccc1CNCc1c([O-])cccc1Br ZINC000858094959 662098604 /nfs/dbraw/zinc/09/86/04/662098604.db2.gz JAGQDJLDZXCASP-UHFFFAOYSA-N -1 3 399.310 2.695 20 10 GFCDHM [O-]c1cccc(Br)c1CN1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000862237934 662275633 /nfs/dbraw/zinc/27/56/33/662275633.db2.gz GXFPCKSFSCZBEN-AWEZNQCLSA-N -1 3 380.242 2.989 20 10 GFCDHM COC(=O)[C@H](NCc1c([O-])cccc1Br)[C@H]1CCC[C@H](OC)C1 ZINC000862401435 662285499 /nfs/dbraw/zinc/28/54/99/662285499.db2.gz DRVBIOAKJFQDSA-MQIPJXDCSA-N -1 3 386.286 2.991 20 10 GFCDHM O=C(NCC1CCOCC1)[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000370294328 563239209 /nfs/dbraw/zinc/23/92/09/563239209.db2.gz NWHBGVUNISUEDD-MRXNPFEDSA-N -1 3 397.313 2.662 20 10 GFCDHM CCOc1ccc(N(C)CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000736645138 598864776 /nfs/dbraw/zinc/86/47/76/598864776.db2.gz VMMDOIVMXBTPIQ-UHFFFAOYSA-N -1 3 386.843 2.994 20 10 GFCDHM CCOc1ccc(N(C)CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000736645138 598864778 /nfs/dbraw/zinc/86/47/78/598864778.db2.gz VMMDOIVMXBTPIQ-UHFFFAOYSA-N -1 3 386.843 2.994 20 10 GFCDHM FC(F)Oc1ccc(N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cc1 ZINC000822732582 599084263 /nfs/dbraw/zinc/08/42/63/599084263.db2.gz LBXVOYIPGRBPJO-ZDUSSCGKSA-N -1 3 387.394 2.944 20 10 GFCDHM FC(F)Oc1ccc(N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cc1 ZINC000822732582 599084268 /nfs/dbraw/zinc/08/42/68/599084268.db2.gz LBXVOYIPGRBPJO-ZDUSSCGKSA-N -1 3 387.394 2.944 20 10 GFCDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000737061967 599145324 /nfs/dbraw/zinc/14/53/24/599145324.db2.gz HJFMQQFYNVXBDG-UHFFFAOYSA-N -1 3 381.440 2.571 20 10 GFCDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000737061967 599145328 /nfs/dbraw/zinc/14/53/28/599145328.db2.gz HJFMQQFYNVXBDG-UHFFFAOYSA-N -1 3 381.440 2.571 20 10 GFCDHM Cc1cc(C(=O)NCCc2nccs2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236394 598611900 /nfs/dbraw/zinc/61/19/00/598611900.db2.gz JSIDFKDFTILPGN-UHFFFAOYSA-N -1 3 393.476 2.703 20 10 GFCDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000823066194 599489124 /nfs/dbraw/zinc/48/91/24/599489124.db2.gz PDDNBVHYJMPKKC-UHFFFAOYSA-N -1 3 395.488 2.860 20 10 GFCDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000823066194 599489127 /nfs/dbraw/zinc/48/91/27/599489127.db2.gz PDDNBVHYJMPKKC-UHFFFAOYSA-N -1 3 395.488 2.860 20 10 GFCDHM CN(C)c1ccc(CN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000821589686 606503278 /nfs/dbraw/zinc/50/32/78/606503278.db2.gz YVDYANCMIHDOKZ-UHFFFAOYSA-N -1 3 376.464 2.666 20 10 GFCDHM CN(C)c1ccc(CN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000821589686 606503279 /nfs/dbraw/zinc/50/32/79/606503279.db2.gz YVDYANCMIHDOKZ-UHFFFAOYSA-N -1 3 376.464 2.666 20 10 GFCDHM COc1ccc(N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1F ZINC000821828564 606882415 /nfs/dbraw/zinc/88/24/15/606882415.db2.gz YBDZEULVBDUEBI-UHFFFAOYSA-N -1 3 381.371 2.701 20 10 GFCDHM COc1ccc(N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1F ZINC000821828564 606882416 /nfs/dbraw/zinc/88/24/16/606882416.db2.gz YBDZEULVBDUEBI-UHFFFAOYSA-N -1 3 381.371 2.701 20 10 GFCDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000826497928 608076824 /nfs/dbraw/zinc/07/68/24/608076824.db2.gz ZFFCDMJCKQSDJJ-OAHLLOKOSA-N -1 3 396.407 2.666 20 10 GFCDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000826497928 608076825 /nfs/dbraw/zinc/07/68/25/608076825.db2.gz ZFFCDMJCKQSDJJ-OAHLLOKOSA-N -1 3 396.407 2.666 20 10 GFCDHM Cc1cc(C(=O)N[C@@H](CO)CC(C)(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258656 608163661 /nfs/dbraw/zinc/16/36/61/608163661.db2.gz RDNPSUGAYZJRNB-MRXNPFEDSA-N -1 3 396.495 2.801 20 10 GFCDHM Cc1cc(C(=O)NC2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259245 608491349 /nfs/dbraw/zinc/49/13/49/608491349.db2.gz MCFHHIAJZXERHS-ZIAGYGMSSA-N -1 3 394.479 2.960 20 10 GFCDHM CN(C)c1ccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cc1F ZINC000825878777 608853065 /nfs/dbraw/zinc/85/30/65/608853065.db2.gz FDZOGUBUVBDIFD-IBGZPJMESA-N -1 3 382.443 2.645 20 10 GFCDHM CN(C)c1ccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cc1F ZINC000825878777 608853071 /nfs/dbraw/zinc/85/30/71/608853071.db2.gz FDZOGUBUVBDIFD-IBGZPJMESA-N -1 3 382.443 2.645 20 10 GFCDHM Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)c1cccc(O)c1[O-] ZINC000837066290 660969094 /nfs/dbraw/zinc/96/90/94/660969094.db2.gz QIJNNVWFIHDBTG-GFCCVEGCSA-N -1 3 394.265 2.750 20 10 GFCDHM CCN(CC)C(=O)CN1CCCN(Cc2cccc(Br)c2[O-])CC1 ZINC000129243230 654861315 /nfs/dbraw/zinc/86/13/15/654861315.db2.gz BHPWNDCQKGCQDN-UHFFFAOYSA-N -1 3 398.345 2.531 20 10 GFCDHM O=C(c1cccnc1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000179492060 655313903 /nfs/dbraw/zinc/31/39/03/655313903.db2.gz IZVBFBDBBNOXDU-UHFFFAOYSA-N -1 3 376.254 2.508 20 10 GFCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cn2cc(Br)cn2)CC1 ZINC000366151456 655398876 /nfs/dbraw/zinc/39/88/76/655398876.db2.gz KWWLNQHMCMCZOT-UHFFFAOYSA-N -1 3 380.242 2.609 20 10 GFCDHM O=S(=O)(C1CN(Cc2cc(Cl)ccc2[O-])C1)N1CCc2ccccc21 ZINC000779624690 656934710 /nfs/dbraw/zinc/93/47/10/656934710.db2.gz QSJCHRRMSYIXNM-UHFFFAOYSA-N -1 3 378.881 2.622 20 10 GFCDHM C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000781047912 657040901 /nfs/dbraw/zinc/04/09/01/657040901.db2.gz GEYVBRMZEQUXQU-UWVGGRQHSA-N -1 3 380.388 2.567 20 10 GFCDHM Cn1nccc1[C@H](O)C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000857060577 662062108 /nfs/dbraw/zinc/06/21/08/662062108.db2.gz BVFFADFWHUXYMS-QGZVFWFLSA-N -1 3 380.286 2.834 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(C(F)(F)F)CCCC2)c1 ZINC000863508335 662335227 /nfs/dbraw/zinc/33/52/27/662335227.db2.gz RVAVRIWBSOKLRY-UHFFFAOYSA-N -1 3 380.388 2.616 20 10 GFCDHM COCCOC(=O)c1sc2[n-]c(CSc3nccs3)nc(=O)c2c1C ZINC000052913834 551164729 /nfs/dbraw/zinc/16/47/29/551164729.db2.gz TVYYTKAJJYXSDN-UHFFFAOYSA-N -1 3 397.503 2.845 20 10 GFCDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1OC ZINC000055668794 551174335 /nfs/dbraw/zinc/17/43/35/551174335.db2.gz BORHEYVIRAYSMK-UHFFFAOYSA-N -1 3 384.479 2.566 20 10 GFCDHM [O-]c1ccc(Br)cc1CNCc1cnc(N2CCOCC2)c(F)c1 ZINC000185079737 552353706 /nfs/dbraw/zinc/35/37/06/552353706.db2.gz JLFCMQSPAUEFPM-UHFFFAOYSA-N -1 3 396.260 2.815 20 10 GFCDHM Cc1cc(N2CC[C@@H](N[C@H](C)c3ccc(Br)cc3[O-])C2=O)n(C)n1 ZINC000186083636 552378866 /nfs/dbraw/zinc/37/88/66/552378866.db2.gz XGZVLGLIWKIQDN-BXUZGUMPSA-N -1 3 393.285 2.653 20 10 GFCDHM CCc1nc(CNCc2cc(Br)cc(Br)c2[O-])n[nH]1 ZINC000296134192 563276115 /nfs/dbraw/zinc/27/61/15/563276115.db2.gz URZYYMAHQQJSJH-UHFFFAOYSA-N -1 3 390.079 2.888 20 10 GFCDHM Cc1cc(Br)cc(CN2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1[O-] ZINC000375369647 563401985 /nfs/dbraw/zinc/40/19/85/563401985.db2.gz YAGZZJVYWBZPNB-GHMZBOCLSA-N -1 3 381.192 2.559 20 10 GFCDHM COc1cc(Br)cc(CN2CCn3c(nnc3C3CC3)C2)c1[O-] ZINC000378350286 563503366 /nfs/dbraw/zinc/50/33/66/563503366.db2.gz OEBCDIANJPSEII-UHFFFAOYSA-N -1 3 379.258 2.648 20 10 GFCDHM COc1cc(Br)cc(CN2CC[C@H](NC(=O)C3CCC3)C2)c1[O-] ZINC000378352073 563503545 /nfs/dbraw/zinc/50/35/45/563503545.db2.gz XWDASQSEYDTHRV-AWEZNQCLSA-N -1 3 383.286 2.654 20 10 GFCDHM CN1CCN(C(=O)C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)CC1 ZINC000289949030 563692433 /nfs/dbraw/zinc/69/24/33/563692433.db2.gz XTADFPFREZFLRB-UHFFFAOYSA-N -1 3 386.323 2.685 20 10 GFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ncncc1Cl ZINC000363725284 563731846 /nfs/dbraw/zinc/73/18/46/563731846.db2.gz NFRDGMUURRGQSZ-CYBMUJFWSA-N -1 3 381.263 2.883 20 10 GFCDHM COCc1nc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cs1 ZINC000291187019 563734111 /nfs/dbraw/zinc/73/41/11/563734111.db2.gz SKUGCAJRSFYXJB-UHFFFAOYSA-N -1 3 381.841 2.613 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000365557191 563786825 /nfs/dbraw/zinc/78/68/25/563786825.db2.gz QXEGJDPSOPXXIT-XWCIJXRUSA-N -1 3 386.286 2.932 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000366088284 563799075 /nfs/dbraw/zinc/79/90/75/563799075.db2.gz KXFQKUXCTZEXIY-CYBMUJFWSA-N -1 3 393.285 2.967 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000366088284 563799078 /nfs/dbraw/zinc/79/90/78/563799078.db2.gz KXFQKUXCTZEXIY-CYBMUJFWSA-N -1 3 393.285 2.967 20 10 GFCDHM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCN1C1CCCC1 ZINC000528292718 564776049 /nfs/dbraw/zinc/77/60/49/564776049.db2.gz GKNAJSZQLWRCRE-CQSZACIVSA-N -1 3 382.302 2.971 20 10 GFCDHM FC(F)Oc1ccc(N2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)cc1 ZINC000822731245 599083956 /nfs/dbraw/zinc/08/39/56/599083956.db2.gz BAEUHRRTDIJJLB-GFCCVEGCSA-N -1 3 387.394 2.944 20 10 GFCDHM FC(F)Oc1ccc(N2CCC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)cc1 ZINC000822731245 599083959 /nfs/dbraw/zinc/08/39/59/599083959.db2.gz BAEUHRRTDIJJLB-GFCCVEGCSA-N -1 3 387.394 2.944 20 10 GFCDHM COC[C@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(C)C ZINC000736978006 599105242 /nfs/dbraw/zinc/10/52/42/599105242.db2.gz MYMNEUSAOJGOPF-SFHVURJKSA-N -1 3 382.468 2.675 20 10 GFCDHM COc1ccc(N(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1F ZINC000737098420 598259266 /nfs/dbraw/zinc/25/92/66/598259266.db2.gz CUHYXZSMEMHQOC-UHFFFAOYSA-N -1 3 398.442 2.546 20 10 GFCDHM COc1ccc(N(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C(C)C)cc1F ZINC000737098420 598259268 /nfs/dbraw/zinc/25/92/68/598259268.db2.gz CUHYXZSMEMHQOC-UHFFFAOYSA-N -1 3 398.442 2.546 20 10 GFCDHM Fc1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)ccc1N1CCOCC1 ZINC000737644754 598391286 /nfs/dbraw/zinc/39/12/86/598391286.db2.gz LNLAOOJPOFOKJY-UHFFFAOYSA-N -1 3 389.822 2.503 20 10 GFCDHM Fc1cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)ccc1N1CCOCC1 ZINC000737644754 598391288 /nfs/dbraw/zinc/39/12/88/598391288.db2.gz LNLAOOJPOFOKJY-UHFFFAOYSA-N -1 3 389.822 2.503 20 10 GFCDHM CO[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C1 ZINC000736964106 598611427 /nfs/dbraw/zinc/61/14/27/598611427.db2.gz ZHCMZJKUSZHLIP-QGZVFWFLSA-N -1 3 380.452 2.525 20 10 GFCDHM Cc1cc(C(=O)N2CCOCC2(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235842 598612031 /nfs/dbraw/zinc/61/20/31/598612031.db2.gz ZQRWDEUHHLGFPZ-UHFFFAOYSA-N -1 3 380.452 2.525 20 10 GFCDHM COc1ccc(N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)CC2)cc1 ZINC000826209022 607666268 /nfs/dbraw/zinc/66/62/68/607666268.db2.gz JQIKSAINNWDBJC-UHFFFAOYSA-N -1 3 392.463 2.536 20 10 GFCDHM COc1ccc(N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)CC2)cc1 ZINC000826209022 607666270 /nfs/dbraw/zinc/66/62/70/607666270.db2.gz JQIKSAINNWDBJC-UHFFFAOYSA-N -1 3 392.463 2.536 20 10 GFCDHM COCCN(Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc(OC)c(OC)c1 ZINC000821690681 606330800 /nfs/dbraw/zinc/33/08/00/606330800.db2.gz VOXNMWIFYFMRAT-UHFFFAOYSA-N -1 3 387.415 2.676 20 10 GFCDHM COCCN(Cc1ccc(F)cc1-c1nn[n-]n1)c1ccc(OC)c(OC)c1 ZINC000821690681 606330802 /nfs/dbraw/zinc/33/08/02/606330802.db2.gz VOXNMWIFYFMRAT-UHFFFAOYSA-N -1 3 387.415 2.676 20 10 GFCDHM O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823254279 606358146 /nfs/dbraw/zinc/35/81/46/606358146.db2.gz RSNJAICGQWSQOK-UHFFFAOYSA-N -1 3 379.399 2.704 20 10 GFCDHM O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823254279 606358148 /nfs/dbraw/zinc/35/81/48/606358148.db2.gz RSNJAICGQWSQOK-UHFFFAOYSA-N -1 3 379.399 2.704 20 10 GFCDHM COC[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821685118 606581013 /nfs/dbraw/zinc/58/10/13/606581013.db2.gz UUEVVKHDNGYUQC-QGZVFWFLSA-N -1 3 380.452 2.525 20 10 GFCDHM CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000825880205 607849475 /nfs/dbraw/zinc/84/94/75/607849475.db2.gz YIBWPCWNOGCAKH-GOSISDBHSA-N -1 3 379.468 2.513 20 10 GFCDHM CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000825880205 607849476 /nfs/dbraw/zinc/84/94/76/607849476.db2.gz YIBWPCWNOGCAKH-GOSISDBHSA-N -1 3 379.468 2.513 20 10 GFCDHM COc1cccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1O ZINC000826216216 608377518 /nfs/dbraw/zinc/37/75/18/608377518.db2.gz OXOOWKBZCXJWJE-UHFFFAOYSA-N -1 3 393.363 2.649 20 10 GFCDHM COc1cccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1O ZINC000826216216 608377520 /nfs/dbraw/zinc/37/75/20/608377520.db2.gz OXOOWKBZCXJWJE-UHFFFAOYSA-N -1 3 393.363 2.649 20 10 GFCDHM COC(=O)[C@H](NCc1ccc(Br)cc1[O-])[C@@H]1CCC[C@H](OC)C1 ZINC000826142553 660450753 /nfs/dbraw/zinc/45/07/53/660450753.db2.gz FIIDOUVLDZDKKG-DIOULYMOSA-N -1 3 386.286 2.991 20 10 GFCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000023398008 654538013 /nfs/dbraw/zinc/53/80/13/654538013.db2.gz WCJPZSVAFWXAJA-UHFFFAOYSA-N -1 3 394.396 2.878 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCSC3(CCCCC3)C2)c1 ZINC000267520798 654932822 /nfs/dbraw/zinc/93/28/22/654932822.db2.gz PMLNNHGOHFFDHJ-UHFFFAOYSA-N -1 3 384.523 2.656 20 10 GFCDHM C[C@H](O)[C@H]1CCN(c2cc(NCc3cccc(Br)c3[O-])ncn2)C1 ZINC000840294605 661151821 /nfs/dbraw/zinc/15/18/21/661151821.db2.gz PCTRUTWZGYGGNF-AAEUAGOBSA-N -1 3 393.285 2.764 20 10 GFCDHM Cc1cc(S(=O)(=O)N2CCN(Cc3cc(F)ccc3[O-])CC2)c(C)s1 ZINC000779001169 656897408 /nfs/dbraw/zinc/89/74/08/656897408.db2.gz CPMHVRDCSLDWEV-UHFFFAOYSA-N -1 3 384.498 2.716 20 10 GFCDHM O=C(N[C@H]1CCN(c2cccc(Br)c2)C1)c1cccc(O)c1[O-] ZINC000787662328 657583469 /nfs/dbraw/zinc/58/34/69/657583469.db2.gz SLOMKUSFBUPRCY-LBPRGKRZSA-N -1 3 377.238 2.869 20 10 GFCDHM CCCCN(Cc1c([O-])cccc1Br)[C@H]1CCS(=O)(=O)C1 ZINC000862212161 662273546 /nfs/dbraw/zinc/27/35/46/662273546.db2.gz HMWZTGYNPWCDNR-LBPRGKRZSA-N -1 3 376.316 2.944 20 10 GFCDHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1c([O-])cccc1Br ZINC000862213310 662273635 /nfs/dbraw/zinc/27/36/35/662273635.db2.gz OVNRGPLTIRVZRX-NSHDSACASA-N -1 3 399.310 2.995 20 10 GFCDHM CCn1cc([C@@H]2C[S@](=O)CCN2Cc2c([O-])cccc2Br)cn1 ZINC000862344948 662281524 /nfs/dbraw/zinc/28/15/24/662281524.db2.gz PUCKVNXJLSYDSG-NPMXOYFQSA-N -1 3 398.326 2.677 20 10 GFCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)CCN1C(=O)c1cscn1 ZINC000862390390 662284407 /nfs/dbraw/zinc/28/44/07/662284407.db2.gz DTHIAAKATNHOGW-NSHDSACASA-N -1 3 396.310 2.958 20 10 GFCDHM CN(C)[S@@](C)(=O)=NCC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000898398238 663648154 /nfs/dbraw/zinc/64/81/54/663648154.db2.gz IPJYAOHOIHBAHC-DEOSSOPVSA-N -1 3 377.913 2.971 20 10 GFCDHM C[C@@H](COCC(F)(F)F)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277863071 563229399 /nfs/dbraw/zinc/22/93/99/563229399.db2.gz OCOAOPSLYHKDGA-VIFPVBQESA-N -1 3 380.750 2.777 20 10 GFCDHM C[C@@H](NCc1cnnn1C)c1cc(Br)cc(Br)c1[O-] ZINC000287481603 563603805 /nfs/dbraw/zinc/60/38/05/563603805.db2.gz XBYRUKADGLNXCM-SSDOTTSWSA-N -1 3 390.079 2.897 20 10 GFCDHM CS(=O)(=O)CC[C@H]1CCCCN1Cc1cc(Br)ccc1[O-] ZINC000366535083 563813069 /nfs/dbraw/zinc/81/30/69/563813069.db2.gz NBTZNZWWEDURPZ-CQSZACIVSA-N -1 3 376.316 2.944 20 10 GFCDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000736633595 599145520 /nfs/dbraw/zinc/14/55/20/599145520.db2.gz BEVJVXGHOFDICR-UHFFFAOYSA-N -1 3 395.467 2.962 20 10 GFCDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000736633595 599145526 /nfs/dbraw/zinc/14/55/26/599145526.db2.gz BEVJVXGHOFDICR-UHFFFAOYSA-N -1 3 395.467 2.962 20 10 GFCDHM CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CCO1 ZINC000736406795 598610092 /nfs/dbraw/zinc/61/00/92/598610092.db2.gz BZKHOGGJJVLOSK-KRWDZBQOSA-N -1 3 380.452 2.525 20 10 GFCDHM Cc1cc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n(C)n1 ZINC000737275133 598611106 /nfs/dbraw/zinc/61/11/06/598611106.db2.gz QSJQPALGJQPRKJ-UHFFFAOYSA-N -1 3 376.424 2.568 20 10 GFCDHM Cc1cc(C(=O)N2C[C@H](C)OC(C)(C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737232939 598611978 /nfs/dbraw/zinc/61/19/78/598611978.db2.gz AYALPVLDBDNOSO-AWEZNQCLSA-N -1 3 394.479 2.914 20 10 GFCDHM Cc1cc(C(=O)N2CCS[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233896 598755123 /nfs/dbraw/zinc/75/51/23/598755123.db2.gz MBCIWAZKPDFDNS-CYBMUJFWSA-N -1 3 382.493 2.852 20 10 GFCDHM Cc1cc(C(=O)N2CCC([C@@H](C)O)CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235479 599389167 /nfs/dbraw/zinc/38/91/67/599389167.db2.gz ZPTVPPDHDJXKLM-OAHLLOKOSA-N -1 3 394.479 2.507 20 10 GFCDHM C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820372596 599445065 /nfs/dbraw/zinc/44/50/65/599445065.db2.gz AWZADNIDZUPWPQ-OAHLLOKOSA-N -1 3 389.463 2.803 20 10 GFCDHM C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820372596 599445068 /nfs/dbraw/zinc/44/50/68/599445068.db2.gz AWZADNIDZUPWPQ-OAHLLOKOSA-N -1 3 389.463 2.803 20 10 GFCDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000822979183 599488820 /nfs/dbraw/zinc/48/88/20/599488820.db2.gz YFSNVOOESWBRIX-UHFFFAOYSA-N -1 3 377.448 2.700 20 10 GFCDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000822979183 599488823 /nfs/dbraw/zinc/48/88/23/599488823.db2.gz YFSNVOOESWBRIX-UHFFFAOYSA-N -1 3 377.448 2.700 20 10 GFCDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000820529271 599489204 /nfs/dbraw/zinc/48/92/04/599489204.db2.gz QEJCUFYFWQTSFL-ZDUSSCGKSA-N -1 3 393.447 2.535 20 10 GFCDHM CN(C)c1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)cc1F ZINC000821589638 599503749 /nfs/dbraw/zinc/50/37/49/599503749.db2.gz WWRGWEGMZLSCFR-UHFFFAOYSA-N -1 3 399.380 2.932 20 10 GFCDHM CN(C)c1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)cc1F ZINC000821589638 599503753 /nfs/dbraw/zinc/50/37/53/599503753.db2.gz WWRGWEGMZLSCFR-UHFFFAOYSA-N -1 3 399.380 2.932 20 10 GFCDHM CCn1ccnc1CN1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737303036 600426511 /nfs/dbraw/zinc/42/65/11/600426511.db2.gz MGDKJHKSURBDJZ-UHFFFAOYSA-N -1 3 394.475 2.778 20 10 GFCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820120619 606504785 /nfs/dbraw/zinc/50/47/85/606504785.db2.gz GHRXFMPASIYPPX-UHFFFAOYSA-N -1 3 378.480 2.912 20 10 GFCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820120619 606504786 /nfs/dbraw/zinc/50/47/86/606504786.db2.gz GHRXFMPASIYPPX-UHFFFAOYSA-N -1 3 378.480 2.912 20 10 GFCDHM Cc1cc(C(=O)N2CCC[C@H]2C[C@@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258041 607779699 /nfs/dbraw/zinc/77/96/99/607779699.db2.gz XNVCTSRXZSJDOJ-KDOFPFPSSA-N -1 3 394.479 2.650 20 10 GFCDHM CN(C)c1ccc2c(c1)OCCN2CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825879383 608087684 /nfs/dbraw/zinc/08/76/84/608087684.db2.gz MCEPGTKVYMXEMT-UHFFFAOYSA-N -1 3 380.452 2.601 20 10 GFCDHM [O-]c1cc(Br)ccc1CN1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000824658419 660398744 /nfs/dbraw/zinc/39/87/44/660398744.db2.gz ZNHICIKWAQBKCM-AWEZNQCLSA-N -1 3 380.242 2.989 20 10 GFCDHM CN(Cc1cccc(Br)c1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646902 655020240 /nfs/dbraw/zinc/02/02/40/655020240.db2.gz PNVDNEZOXGOKCO-KGLIPLIRSA-N -1 3 376.316 2.942 20 10 GFCDHM CN(Cc1cccc(Br)c1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646903 655020293 /nfs/dbraw/zinc/02/02/93/655020293.db2.gz PNVDNEZOXGOKCO-KBPBESRZSA-N -1 3 376.316 2.942 20 10 GFCDHM Cc1ccc(C(=O)NCCC(=O)NCCCSc2nccs2)c([O-])c1 ZINC000736682804 655665906 /nfs/dbraw/zinc/66/59/06/655665906.db2.gz OWAJHBCBHMEXFA-UHFFFAOYSA-N -1 3 379.507 2.576 20 10 GFCDHM O=S(=O)(C1CN(Cc2c([O-])cccc2Cl)C1)N1CCc2ccccc21 ZINC000779623569 656934679 /nfs/dbraw/zinc/93/46/79/656934679.db2.gz DPGUMRUHAIOEOH-UHFFFAOYSA-N -1 3 378.881 2.622 20 10 GFCDHM CCc1ncc(S(=O)(=O)[N-]Cc2cc(Br)ccc2O)s1 ZINC000796192321 658899782 /nfs/dbraw/zinc/89/97/82/658899782.db2.gz YOWSRFBCRADVSG-UHFFFAOYSA-N -1 3 377.285 2.652 20 10 GFCDHM CSc1ccccc1[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000799741287 659218989 /nfs/dbraw/zinc/21/89/89/659218989.db2.gz JHRNPISOHXORCP-NSHDSACASA-N -1 3 380.491 2.977 20 10 GFCDHM CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Br)ccc1[O-] ZINC000843420934 661380936 /nfs/dbraw/zinc/38/09/36/661380936.db2.gz MOPCMWOGHNPMQC-INIZCTEOSA-N -1 3 375.266 2.828 20 10 GFCDHM CCc1noc(C[C@]2(O)CCCN(Cc3cccc(Br)c3[O-])C2)n1 ZINC000856592889 662037307 /nfs/dbraw/zinc/03/73/07/662037307.db2.gz MXSRJAGPCLFGRN-QGZVFWFLSA-N -1 3 396.285 2.670 20 10 GFCDHM O=C(CN(Cc1c([O-])cccc1Br)C[C@H]1CCCO1)N1CCCC1 ZINC000862248555 662277163 /nfs/dbraw/zinc/27/71/63/662277163.db2.gz MNOQCLQQZNKICN-CQSZACIVSA-N -1 3 397.313 2.758 20 10 GFCDHM CCN(Cc1nnnn1CC(F)(F)F)Cc1cc(Br)ccc1[O-] ZINC000190920544 552513363 /nfs/dbraw/zinc/51/33/63/552513363.db2.gz ACSOGXKXWZNGIS-UHFFFAOYSA-N -1 3 394.195 2.726 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1[O-] ZINC000370712473 563253273 /nfs/dbraw/zinc/25/32/73/563253273.db2.gz VSHXYWITPCARJD-PXAZEXFGSA-N -1 3 386.286 2.933 20 10 GFCDHM Cc1cc(Br)cc(CN(C)Cc2ncnn2CC(F)F)c1[O-] ZINC000279056059 563282677 /nfs/dbraw/zinc/28/26/77/563282677.db2.gz PSJBMVPAOCDDOR-UHFFFAOYSA-N -1 3 375.217 2.952 20 10 GFCDHM CC[C@H]1COCCN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736408863 599036746 /nfs/dbraw/zinc/03/67/46/599036746.db2.gz VUBOUHRJNUYUHD-INIZCTEOSA-N -1 3 380.452 2.525 20 10 GFCDHM COc1ccc(N2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)cc1 ZINC000737098848 599255407 /nfs/dbraw/zinc/25/54/07/599255407.db2.gz GNLNZYVEULBARS-UHFFFAOYSA-N -1 3 387.447 2.750 20 10 GFCDHM COc1ccc(N2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)cc1 ZINC000737098848 599255409 /nfs/dbraw/zinc/25/54/09/599255409.db2.gz GNLNZYVEULBARS-UHFFFAOYSA-N -1 3 387.447 2.750 20 10 GFCDHM Cc1cc(C(=O)NCC2(CCO)CCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177179 607361787 /nfs/dbraw/zinc/36/17/87/607361787.db2.gz VUGPTTUDFXWAJV-UHFFFAOYSA-N -1 3 394.479 2.557 20 10 GFCDHM CCOCCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736610563 598610199 /nfs/dbraw/zinc/61/01/99/598610199.db2.gz IOSRIYHXZZHMDE-UHFFFAOYSA-N -1 3 382.468 2.821 20 10 GFCDHM Cc1cc(C(=O)O[C@H]2CCCCC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238976 598623487 /nfs/dbraw/zinc/62/34/87/598623487.db2.gz WCYKRKFXYKLRIA-SFHVURJKSA-N -1 3 379.420 2.943 20 10 GFCDHM CC[C@H](C)[C@@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820859846 599380004 /nfs/dbraw/zinc/38/00/04/599380004.db2.gz GSTKXVDEDYRPSP-ZSEKCTLFSA-N -1 3 396.495 2.801 20 10 GFCDHM Cc1noc([C@@H](C)N2CCN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)n1 ZINC000738937057 600427080 /nfs/dbraw/zinc/42/70/80/600427080.db2.gz CZRYONRHHOVLKV-CYBMUJFWSA-N -1 3 396.447 2.814 20 10 GFCDHM COCCN(Cc1cc(-c2nnn[n-]2)ccc1OC)c1ccc(OC)c(OC)c1 ZINC000826158717 607469810 /nfs/dbraw/zinc/46/98/10/607469810.db2.gz ZOQWBYKCAGPTRU-UHFFFAOYSA-N -1 3 399.451 2.546 20 10 GFCDHM COCCN(Cc1cc(-c2nn[n-]n2)ccc1OC)c1ccc(OC)c(OC)c1 ZINC000826158717 607469811 /nfs/dbraw/zinc/46/98/11/607469811.db2.gz ZOQWBYKCAGPTRU-UHFFFAOYSA-N -1 3 399.451 2.546 20 10 GFCDHM Cc1cc(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(C)n1-c1ccccc1 ZINC000826266098 607687550 /nfs/dbraw/zinc/68/75/50/607687550.db2.gz BVSQZUVHJMHJKA-UHFFFAOYSA-N -1 3 375.436 2.575 20 10 GFCDHM Cc1cc(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(C)n1-c1ccccc1 ZINC000826266098 607687552 /nfs/dbraw/zinc/68/75/52/607687552.db2.gz BVSQZUVHJMHJKA-UHFFFAOYSA-N -1 3 375.436 2.575 20 10 GFCDHM COc1ccc(N2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)cc1 ZINC000821831868 606024687 /nfs/dbraw/zinc/02/46/87/606024687.db2.gz QGAXFIUFKIYJHZ-UHFFFAOYSA-N -1 3 387.447 2.750 20 10 GFCDHM COc1ccc(N2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)cc1 ZINC000821831868 606024689 /nfs/dbraw/zinc/02/46/89/606024689.db2.gz QGAXFIUFKIYJHZ-UHFFFAOYSA-N -1 3 387.447 2.750 20 10 GFCDHM CSCCCN1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000821962050 606334627 /nfs/dbraw/zinc/33/46/27/606334627.db2.gz OICDXPJMSQEVLD-POHAHGRESA-N -1 3 383.549 2.883 20 10 GFCDHM CSCCCN1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000821962050 606334628 /nfs/dbraw/zinc/33/46/28/606334628.db2.gz OICDXPJMSQEVLD-POHAHGRESA-N -1 3 383.549 2.883 20 10 GFCDHM Cc1cc(C(=O)NC[C@@H]2CCO[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259033 608200771 /nfs/dbraw/zinc/20/07/71/608200771.db2.gz FOVTWISIAGLEAG-GOEBONIOSA-N -1 3 394.479 2.819 20 10 GFCDHM C[C@H](Cc1ccc(O)c(O)c1)Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000824457328 609417944 /nfs/dbraw/zinc/41/79/44/609417944.db2.gz JZDFRDLVLPUMRN-MRVPVSSYSA-N -1 3 380.330 2.735 20 10 GFCDHM C[C@H](Cc1ccc(O)c(O)c1)Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000824457328 609417946 /nfs/dbraw/zinc/41/79/46/609417946.db2.gz JZDFRDLVLPUMRN-MRVPVSSYSA-N -1 3 380.330 2.735 20 10 GFCDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc(N2CCCCC2)cc1 ZINC000742654903 655719947 /nfs/dbraw/zinc/71/99/47/655719947.db2.gz RBIBLEHHQZHZKQ-UHFFFAOYSA-N -1 3 382.917 2.851 20 10 GFCDHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000775942296 656695098 /nfs/dbraw/zinc/69/50/98/656695098.db2.gz MTPLLMUONAKJBV-SKDRFNHKSA-N -1 3 380.388 2.567 20 10 GFCDHM CCOC(=O)C1(COC)CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000793366679 658391060 /nfs/dbraw/zinc/39/10/60/658391060.db2.gz QWMGRPZSGTVALX-UHFFFAOYSA-N -1 3 386.286 2.946 20 10 GFCDHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000799184886 659171890 /nfs/dbraw/zinc/17/18/90/659171890.db2.gz MZLCLWDOQVZEKU-UHFFFAOYSA-N -1 3 378.479 2.562 20 10 GFCDHM CN(Cc1c([O-])cccc1Br)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000862247732 662277045 /nfs/dbraw/zinc/27/70/45/662277045.db2.gz BNKYMGPCNDLSQG-DZGCQCFKSA-N -1 3 376.316 2.942 20 10 GFCDHM COC(=O)CN(CCCS(=O)(=O)C(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000878242570 662892398 /nfs/dbraw/zinc/89/23/98/662892398.db2.gz MEKKSPYMJBIDBU-UHFFFAOYSA-N -1 3 391.917 2.624 20 10 GFCDHM [O-]c1cc(Br)cnc1CNCc1ccc(N2CCOCC2)cc1 ZINC000892669188 663380576 /nfs/dbraw/zinc/38/05/76/663380576.db2.gz WLTRLHVPTZYHDO-UHFFFAOYSA-N -1 3 378.270 2.676 20 10 GFCDHM C[C@H](N[C@@H]1Cc2cc(Br)cnc2NC1=O)c1c([O-])cccc1F ZINC000903326765 663782152 /nfs/dbraw/zinc/78/21/52/663782152.db2.gz RZUMGXGDXPKNEM-QPUJVOFHSA-N -1 3 380.217 2.903 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC1CCN(C(C)=O)CC1 ZINC000173515430 552087374 /nfs/dbraw/zinc/08/73/74/552087374.db2.gz LMUIBDHLRZSXLS-UHFFFAOYSA-N -1 3 398.301 2.697 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C2CCOCC2)C1=O ZINC000370055974 563232693 /nfs/dbraw/zinc/23/26/93/563232693.db2.gz OAMFXBSTCDJZGQ-MRXNPFEDSA-N -1 3 397.313 2.757 20 10 GFCDHM O=C1CCCC(=O)N1C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000373610597 563343622 /nfs/dbraw/zinc/34/36/22/563343622.db2.gz RSMWVQCZZBPRFY-UHFFFAOYSA-N -1 3 381.270 2.658 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000366088287 563798773 /nfs/dbraw/zinc/79/87/73/563798773.db2.gz KXFQKUXCTZEXIY-ZDUSSCGKSA-N -1 3 393.285 2.967 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000366088287 563798775 /nfs/dbraw/zinc/79/87/75/563798775.db2.gz KXFQKUXCTZEXIY-ZDUSSCGKSA-N -1 3 393.285 2.967 20 10 GFCDHM Cn1ccnc1C(NCc1ccc(Br)cc1[O-])c1nccn1C ZINC000529640750 564845381 /nfs/dbraw/zinc/84/53/81/564845381.db2.gz DFNMWTMRFWEGNO-UHFFFAOYSA-N -1 3 376.258 2.501 20 10 GFCDHM O=C(NCc1ccccc1O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000738123035 598358168 /nfs/dbraw/zinc/35/81/68/598358168.db2.gz DHMULJQEGBQGLX-UHFFFAOYSA-N -1 3 391.387 2.674 20 10 GFCDHM O=C(NCc1ccccc1O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000738123035 598358170 /nfs/dbraw/zinc/35/81/70/598358170.db2.gz DHMULJQEGBQGLX-UHFFFAOYSA-N -1 3 391.387 2.674 20 10 GFCDHM COc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)cc3)SC2=S)cn1 ZINC000737098413 598408497 /nfs/dbraw/zinc/40/84/97/598408497.db2.gz CSKGMSUWZSKEDC-JYRVWZFOSA-N -1 3 396.457 2.676 20 10 GFCDHM COc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)cc3)SC2=S)cn1 ZINC000737098413 598408498 /nfs/dbraw/zinc/40/84/98/598408498.db2.gz CSKGMSUWZSKEDC-JYRVWZFOSA-N -1 3 396.457 2.676 20 10 GFCDHM CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)C[C@H](C)O1 ZINC000736408904 598695686 /nfs/dbraw/zinc/69/56/86/598695686.db2.gz KUKKFTGZCCFBTN-KSSFIOAISA-N -1 3 394.479 2.914 20 10 GFCDHM Cc1cc(C(=O)O[C@H](C)c2cnccn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822184349 606205422 /nfs/dbraw/zinc/20/54/22/606205422.db2.gz SPRBBHUSRKKYFA-CQSZACIVSA-N -1 3 389.419 2.982 20 10 GFCDHM COc1ccc(N(C)CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)cc1F ZINC000821828177 606881834 /nfs/dbraw/zinc/88/18/34/606881834.db2.gz RMNZVJDXHYGSNO-UHFFFAOYSA-N -1 3 390.444 2.768 20 10 GFCDHM COc1ccc(N(C)CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)cc1F ZINC000821828177 606881835 /nfs/dbraw/zinc/88/18/35/606881835.db2.gz RMNZVJDXHYGSNO-UHFFFAOYSA-N -1 3 390.444 2.768 20 10 GFCDHM CN(C)c1ccc(CNC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821589347 607017111 /nfs/dbraw/zinc/01/71/11/607017111.db2.gz KFXJOKACCSUHRG-UHFFFAOYSA-N -1 3 398.442 2.546 20 10 GFCDHM CN(C)c1ccc(CNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821589347 607017113 /nfs/dbraw/zinc/01/71/13/607017113.db2.gz KFXJOKACCSUHRG-UHFFFAOYSA-N -1 3 398.442 2.546 20 10 GFCDHM Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822205916 607037184 /nfs/dbraw/zinc/03/71/84/607037184.db2.gz NFYHWITZGFZGIJ-UHFFFAOYSA-N -1 3 394.479 2.715 20 10 GFCDHM CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ncccc2-c2nnn[n-]2)cc1 ZINC000825879298 607849606 /nfs/dbraw/zinc/84/96/06/607849606.db2.gz KIILMKPRZHDYHW-QGZVFWFLSA-N -1 3 379.468 2.513 20 10 GFCDHM CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ncccc2-c2nn[n-]n2)cc1 ZINC000825879298 607849607 /nfs/dbraw/zinc/84/96/07/607849607.db2.gz KIILMKPRZHDYHW-QGZVFWFLSA-N -1 3 379.468 2.513 20 10 GFCDHM COc1ccc2c(c1)CCCCN2CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826212771 608259433 /nfs/dbraw/zinc/25/94/33/608259433.db2.gz ATQCNNYLEPLIHY-UHFFFAOYSA-N -1 3 378.436 2.657 20 10 GFCDHM COc1ccc2c(c1)CCCCN2CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826212771 608259434 /nfs/dbraw/zinc/25/94/34/608259434.db2.gz ATQCNNYLEPLIHY-UHFFFAOYSA-N -1 3 378.436 2.657 20 10 GFCDHM CC(C)CN1C[C@H]2CN(Cc3ccc(Br)cc3[O-])CCN2C1=O ZINC000825715756 660439321 /nfs/dbraw/zinc/43/93/21/660439321.db2.gz FWGZYFSTJADFMV-OAHLLOKOSA-N -1 3 382.302 2.733 20 10 GFCDHM Cn1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c1Cl ZINC000827096086 660478800 /nfs/dbraw/zinc/47/88/00/660478800.db2.gz QFHHKPLYDPMJQH-CYBMUJFWSA-N -1 3 383.279 2.827 20 10 GFCDHM COc1cc(C)nc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000769365000 656272341 /nfs/dbraw/zinc/27/23/41/656272341.db2.gz IUAPWVBRGMJPAZ-UHFFFAOYSA-N -1 3 393.285 2.584 20 10 GFCDHM COc1cc(CNC(=O)c2cccc(O)c2[O-])cc(Br)c1OC ZINC000790617646 658003130 /nfs/dbraw/zinc/00/31/30/658003130.db2.gz MBGIZEBMHBLLCF-UHFFFAOYSA-N -1 3 382.210 2.808 20 10 GFCDHM CCCN(CC(N)=O)Cc1cc(Br)cc(Br)c1[O-] ZINC000814177585 660073946 /nfs/dbraw/zinc/07/39/46/660073946.db2.gz HRHSRIOTLBJJFP-UHFFFAOYSA-N -1 3 380.080 2.615 20 10 GFCDHM CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1c([O-])cccc1Br ZINC000862398305 662285285 /nfs/dbraw/zinc/28/52/85/662285285.db2.gz DURIGHPVHJZWNH-INIZCTEOSA-N -1 3 375.266 2.828 20 10 GFCDHM CCN(Cc1cn(C[C@H]2CCOC2)nn1)Cc1cc(Br)ccc1[O-] ZINC000876794456 662866538 /nfs/dbraw/zinc/86/65/38/662866538.db2.gz WECDOWDLWGYDQJ-CYBMUJFWSA-N -1 3 395.301 2.805 20 10 GFCDHM CCN(Cc1cn(CCC(C)=O)nn1)Cc1cc(Br)ccc1[O-] ZINC000906273022 663935117 /nfs/dbraw/zinc/93/51/17/663935117.db2.gz KRRUJSLNAYZARN-UHFFFAOYSA-N -1 3 381.274 2.747 20 10 GFCDHM Cn1cc(Br)c(CNCc2cc(Br)ccc2[O-])n1 ZINC000393364784 677410562 /nfs/dbraw/zinc/41/05/62/677410562.db2.gz BHSOPLCYCGKQRB-UHFFFAOYSA-N -1 3 375.064 2.941 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H](C)CN1CCCC1=O ZINC000174169635 552101462 /nfs/dbraw/zinc/10/14/62/552101462.db2.gz RMDZVUNNWCXAGY-LBPRGKRZSA-N -1 3 398.301 2.697 20 10 GFCDHM NC(=O)[C@H]1CC[C@@H](C(F)(F)F)N(Cc2cc(Br)ccc2[O-])C1 ZINC000371397615 563276287 /nfs/dbraw/zinc/27/62/87/563276287.db2.gz AGHDNWGFWALZCH-UFBFGSQYSA-N -1 3 381.192 2.783 20 10 GFCDHM COc1ccc2c(c1)CCCN2CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000737119652 598981740 /nfs/dbraw/zinc/98/17/40/598981740.db2.gz RCUCPDNUPPZCKD-UHFFFAOYSA-N -1 3 381.436 2.716 20 10 GFCDHM COc1ccc2c(c1)CCCN2CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000737119652 598981742 /nfs/dbraw/zinc/98/17/42/598981742.db2.gz RCUCPDNUPPZCKD-UHFFFAOYSA-N -1 3 381.436 2.716 20 10 GFCDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000736820945 599014272 /nfs/dbraw/zinc/01/42/72/599014272.db2.gz RZTLOWIVGVRSPU-UHFFFAOYSA-N -1 3 389.463 2.585 20 10 GFCDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000736820945 599014274 /nfs/dbraw/zinc/01/42/74/599014274.db2.gz RZTLOWIVGVRSPU-UHFFFAOYSA-N -1 3 389.463 2.585 20 10 GFCDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000737295739 599021086 /nfs/dbraw/zinc/02/10/86/599021086.db2.gz ZHUSAFJCFYGUGK-UHFFFAOYSA-N -1 3 375.436 2.873 20 10 GFCDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000737295739 599021088 /nfs/dbraw/zinc/02/10/88/599021088.db2.gz ZHUSAFJCFYGUGK-UHFFFAOYSA-N -1 3 375.436 2.873 20 10 GFCDHM COc1cccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1O ZINC000737132425 598264121 /nfs/dbraw/zinc/26/41/21/598264121.db2.gz XEIVXOZELHZXIT-UHFFFAOYSA-N -1 3 398.423 2.690 20 10 GFCDHM COc1cccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1O ZINC000737132425 598264124 /nfs/dbraw/zinc/26/41/24/598264124.db2.gz XEIVXOZELHZXIT-UHFFFAOYSA-N -1 3 398.423 2.690 20 10 GFCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)SC(=S)N1CCc1ccccn1 ZINC000738290109 598303025 /nfs/dbraw/zinc/30/30/25/598303025.db2.gz MWWIXKSIGMXTBF-RVDMUPIBSA-N -1 3 394.485 2.706 20 10 GFCDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)SC(=S)N1CCc1ccccn1 ZINC000738290109 598303026 /nfs/dbraw/zinc/30/30/26/598303026.db2.gz MWWIXKSIGMXTBF-RVDMUPIBSA-N -1 3 394.485 2.706 20 10 GFCDHM O=C([O-])c1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c[nH]1 ZINC000833298348 601831817 /nfs/dbraw/zinc/83/18/17/601831817.db2.gz YCPBFURXOAAQTB-UHFFFAOYSA-N -1 3 383.370 2.858 20 10 GFCDHM CCCN(Cc1ccccc1O)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825323372 607625874 /nfs/dbraw/zinc/62/58/74/607625874.db2.gz VBAZGGWORYHGID-UHFFFAOYSA-N -1 3 396.451 2.703 20 10 GFCDHM CCCN(Cc1ccccc1O)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825323372 607625875 /nfs/dbraw/zinc/62/58/75/607625875.db2.gz VBAZGGWORYHGID-UHFFFAOYSA-N -1 3 396.451 2.703 20 10 GFCDHM CN(C)c1ccc(CN(C)C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821611201 606985806 /nfs/dbraw/zinc/98/58/06/606985806.db2.gz VNUQKNPEMNKPMQ-UHFFFAOYSA-N -1 3 394.479 2.749 20 10 GFCDHM COCCN(Cc1cc(F)ccc1-c1nnn[n-]1)c1ccc(OC)c(OC)c1 ZINC000821689715 607068489 /nfs/dbraw/zinc/06/84/89/607068489.db2.gz JNBBZKIXAKXYRG-UHFFFAOYSA-N -1 3 387.415 2.676 20 10 GFCDHM COCCN(Cc1cc(F)ccc1-c1nn[n-]n1)c1ccc(OC)c(OC)c1 ZINC000821689715 607068491 /nfs/dbraw/zinc/06/84/91/607068491.db2.gz JNBBZKIXAKXYRG-UHFFFAOYSA-N -1 3 387.415 2.676 20 10 GFCDHM Cc1cc(C(=O)N(C)C[C@@H]2CCC[C@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257374 607862875 /nfs/dbraw/zinc/86/28/75/607862875.db2.gz ZQPVKYUKKWCKHF-QFBILLFUSA-N -1 3 394.479 2.507 20 10 GFCDHM COc1ccc2c(c1)CCCCN2CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000826213165 608259466 /nfs/dbraw/zinc/25/94/66/608259466.db2.gz NBGUVGWQZRPZNF-UHFFFAOYSA-N -1 3 396.451 2.867 20 10 GFCDHM Cc1cc(C(=O)N2CCC[C@@H]2CCCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257606 609261906 /nfs/dbraw/zinc/26/19/06/609261906.db2.gz ITLWIFFMYZTARL-QGZVFWFLSA-N -1 3 394.479 2.651 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000107771970 655124654 /nfs/dbraw/zinc/12/46/54/655124654.db2.gz KXOODNGPJDENRN-DZGCQCFKSA-N -1 3 380.853 2.703 20 10 GFCDHM CCN(Cc1cc(Br)ccc1O)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000743808727 655731952 /nfs/dbraw/zinc/73/19/52/655731952.db2.gz CQRWLYKMKFVSEM-UHFFFAOYSA-N -1 3 394.269 2.858 20 10 GFCDHM O=S1(=O)CCN(c2ccc(CNCc3cccc([O-])c3Cl)cc2)CC1 ZINC000815127177 660113761 /nfs/dbraw/zinc/11/37/61/660113761.db2.gz XZQYHYJFOBEOIC-UHFFFAOYSA-N -1 3 380.897 2.570 20 10 GFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)c(C)c(C)c1O ZINC000844663923 661433061 /nfs/dbraw/zinc/43/30/61/661433061.db2.gz QGVBUNINLXBCNV-UHFFFAOYSA-N -1 3 381.475 2.547 20 10 GFCDHM CN(Cc1c([O-])cccc1Br)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000862247734 662277192 /nfs/dbraw/zinc/27/71/92/662277192.db2.gz BNKYMGPCNDLSQG-HIFRSBDPSA-N -1 3 376.316 2.942 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CCSCC3)CC2)c1 ZINC000870250464 662680804 /nfs/dbraw/zinc/68/08/04/662680804.db2.gz MKDXHZBCVRNGCL-UHFFFAOYSA-N -1 3 384.523 2.513 20 10 GFCDHM C[C@@H](NCc1c(I)cnn1C)c1c([O-])cccc1F ZINC000886649697 663115145 /nfs/dbraw/zinc/11/51/45/663115145.db2.gz GQOGVLFQESVMJU-MRVPVSSYSA-N -1 3 375.185 2.720 20 10 GFCDHM [O-]c1ccc(Br)cc1CN1CCc2nc[nH]c2C12CCOCC2 ZINC000895071505 663497791 /nfs/dbraw/zinc/49/77/91/663497791.db2.gz PRHNFAAAVJATFX-UHFFFAOYSA-N -1 3 378.270 2.942 20 10 GFCDHM C[C@@H](N[C@H]1Cc2cc(Br)cnc2NC1=O)c1c([O-])cccc1F ZINC000903326763 663782131 /nfs/dbraw/zinc/78/21/31/663782131.db2.gz RZUMGXGDXPKNEM-PELKAZGASA-N -1 3 380.217 2.903 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)c1c(C)c(C)nn(C)c1=O ZINC000121588535 551237657 /nfs/dbraw/zinc/23/76/57/551237657.db2.gz ZPGSQDJCHIWBRL-UHFFFAOYSA-N -1 3 394.269 2.528 20 10 GFCDHM Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000180647441 552232595 /nfs/dbraw/zinc/23/25/95/552232595.db2.gz QJZMBNVEWDAXMR-LRDDRELGSA-N -1 3 380.286 2.834 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)Nc1nc(C)cs1 ZINC000187756370 552423214 /nfs/dbraw/zinc/42/32/14/552423214.db2.gz SMXVUDUVMFFMMZ-UHFFFAOYSA-N -1 3 398.282 2.907 20 10 GFCDHM COc1cc(Br)cc(CN[C@H]2CS(=O)(=O)c3ccccc32)c1[O-] ZINC000370354481 563241253 /nfs/dbraw/zinc/24/12/53/563241253.db2.gz CZSGDOCMOVAJHO-ZDUSSCGKSA-N -1 3 398.278 2.782 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H]1CCN(c2ccn(C)n2)C1=O ZINC000363325249 563719694 /nfs/dbraw/zinc/71/96/94/563719694.db2.gz ANXRIQLKIGUSTQ-AWEZNQCLSA-N -1 3 393.285 2.516 20 10 GFCDHM Cc1cc([C@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])C2)cs1 ZINC000364906805 563767870 /nfs/dbraw/zinc/76/78/70/563767870.db2.gz LDVURIBSQZRREB-LBPRGKRZSA-N -1 3 380.491 2.763 20 10 GFCDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736820565 598457927 /nfs/dbraw/zinc/45/79/27/598457927.db2.gz YKJDASCDAXYVTF-UHFFFAOYSA-N -1 3 377.452 2.524 20 10 GFCDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736820565 598457928 /nfs/dbraw/zinc/45/79/28/598457928.db2.gz YKJDASCDAXYVTF-UHFFFAOYSA-N -1 3 377.452 2.524 20 10 GFCDHM Cc1cc(COC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)on1 ZINC000737265786 598621758 /nfs/dbraw/zinc/62/17/58/598621758.db2.gz ZOWFYQDTDGTLHM-UHFFFAOYSA-N -1 3 378.392 2.928 20 10 GFCDHM COc1ccc(O)c([C@H](C)NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737106155 598779122 /nfs/dbraw/zinc/77/91/22/598779122.db2.gz NYMIYKFOETXWDJ-LBPRGKRZSA-N -1 3 399.476 2.692 20 10 GFCDHM COc1ccc(O)c([C@H](C)NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737106155 598779123 /nfs/dbraw/zinc/77/91/23/598779123.db2.gz NYMIYKFOETXWDJ-LBPRGKRZSA-N -1 3 399.476 2.692 20 10 GFCDHM C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820340619 599470131 /nfs/dbraw/zinc/47/01/31/599470131.db2.gz MEQSUQNKHGWDIC-AWEZNQCLSA-N -1 3 379.468 2.835 20 10 GFCDHM C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820340619 599470134 /nfs/dbraw/zinc/47/01/34/599470134.db2.gz MEQSUQNKHGWDIC-AWEZNQCLSA-N -1 3 379.468 2.835 20 10 GFCDHM C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(-c2nnn[n-]2)c1 ZINC000820374911 599478672 /nfs/dbraw/zinc/47/86/72/599478672.db2.gz SYTLKKIWDIKQFD-CQSZACIVSA-N -1 3 391.479 2.810 20 10 GFCDHM C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1cccc(-c2nn[n-]n2)c1 ZINC000820374911 599478675 /nfs/dbraw/zinc/47/86/75/599478675.db2.gz SYTLKKIWDIKQFD-CQSZACIVSA-N -1 3 391.479 2.810 20 10 GFCDHM Cc1cc(C(=O)NCc2ncccc2F)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260137 607759029 /nfs/dbraw/zinc/75/90/29/607759029.db2.gz XYIWJSBAUDLNNW-UHFFFAOYSA-N -1 3 391.410 2.738 20 10 GFCDHM Cc1cc(C(=O)NCCc2ccncc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822175977 606968047 /nfs/dbraw/zinc/96/80/47/606968047.db2.gz CRSUKUXVWNFDGX-UHFFFAOYSA-N -1 3 387.447 2.642 20 10 GFCDHM Cc1cc(C(=O)N[C@H]2CCOC(C)(C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258995 607826039 /nfs/dbraw/zinc/82/60/39/607826039.db2.gz DKRBJFYTYHPGFB-INIZCTEOSA-N -1 3 394.479 2.962 20 10 GFCDHM Oc1ccccc1CN(C[C@@H]1CCCO1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826511415 608076902 /nfs/dbraw/zinc/07/69/02/608076902.db2.gz OOIMQFWVVIRDGV-AWEZNQCLSA-N -1 3 386.843 2.806 20 10 GFCDHM Oc1ccccc1CN(C[C@@H]1CCCO1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826511415 608076903 /nfs/dbraw/zinc/07/69/03/608076903.db2.gz OOIMQFWVVIRDGV-AWEZNQCLSA-N -1 3 386.843 2.806 20 10 GFCDHM CN(C)c1ccc2c(c1)OCCN2CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825880028 608418546 /nfs/dbraw/zinc/41/85/46/608418546.db2.gz UXMRNNWXZCUDCL-UHFFFAOYSA-N -1 3 380.452 2.601 20 10 GFCDHM CN(C)c1ccc2c(c1)OCCN2CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825880028 608418547 /nfs/dbraw/zinc/41/85/47/608418547.db2.gz UXMRNNWXZCUDCL-UHFFFAOYSA-N -1 3 380.452 2.601 20 10 GFCDHM Cc1ccnc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1-c1nnn[n-]1 ZINC000826314500 609538340 /nfs/dbraw/zinc/53/83/40/609538340.db2.gz ZYULROJJMRBGEA-KBPBESRZSA-N -1 3 397.458 2.935 20 10 GFCDHM Cc1ccnc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1-c1nn[n-]n1 ZINC000826314500 609538342 /nfs/dbraw/zinc/53/83/42/609538342.db2.gz ZYULROJJMRBGEA-KBPBESRZSA-N -1 3 397.458 2.935 20 10 GFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CSCCS1 ZINC000134262587 654988568 /nfs/dbraw/zinc/98/85/68/654988568.db2.gz DGLVCRCUHAXVBG-HOCLYGCPSA-N -1 3 386.970 2.975 20 10 GFCDHM O=C(N1CCCCC1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000768228015 656235139 /nfs/dbraw/zinc/23/51/39/656235139.db2.gz XHXGKLXLHMYDDG-UHFFFAOYSA-N -1 3 382.302 2.878 20 10 GFCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H](S(C)(=O)=O)CC2)c1 ZINC000800535069 659315442 /nfs/dbraw/zinc/31/54/42/659315442.db2.gz ZGSIWVQHHXLATL-CYBMUJFWSA-N -1 3 376.316 2.862 20 10 GFCDHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1c([O-])cccc1Br ZINC000862235199 662275508 /nfs/dbraw/zinc/27/55/08/662275508.db2.gz OCFCPDVKZVIJGE-LLVKDONJSA-N -1 3 399.310 2.995 20 10 GFCDHM CON(C)C(=O)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894816874 663482844 /nfs/dbraw/zinc/48/28/44/663482844.db2.gz XGWGMQHUMWSKAX-UHFFFAOYSA-N -1 3 375.238 2.526 20 10 GFCDHM O=C1NCCN1CC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000897579933 663612233 /nfs/dbraw/zinc/61/22/33/663612233.db2.gz BUXYPHABYDASBB-UHFFFAOYSA-N -1 3 386.265 2.531 20 10 GFCDHM CCCC[C@H](NC(N)=O)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000120993605 551224801 /nfs/dbraw/zinc/22/48/01/551224801.db2.gz VLPDJHKLTBKUBC-ZDUSSCGKSA-N -1 3 386.290 2.730 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H](C)CN1CCCC1=O ZINC000174169649 552101290 /nfs/dbraw/zinc/10/12/90/552101290.db2.gz RMDZVUNNWCXAGY-GFCCVEGCSA-N -1 3 398.301 2.697 20 10 GFCDHM Cn1ccnc1[C@@]([O-])(C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000263707639 553192037 /nfs/dbraw/zinc/19/20/37/553192037.db2.gz SRIYKJAYZWUSCO-ZDUSSCGKSA-N -1 3 384.185 2.972 20 10 GFCDHM Cn1ccnc1[C@@](O)(CNCc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000263707639 553192039 /nfs/dbraw/zinc/19/20/39/553192039.db2.gz SRIYKJAYZWUSCO-ZDUSSCGKSA-N -1 3 384.185 2.972 20 10 GFCDHM Cn1ncc(Br)c1CNCc1cccc(Br)c1[O-] ZINC000278696587 563266998 /nfs/dbraw/zinc/26/69/98/563266998.db2.gz OWXIAZLUPTZLMM-UHFFFAOYSA-N -1 3 375.064 2.941 20 10 GFCDHM C[C@@H]1C[C@@H](c2cccs2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000371765731 563287483 /nfs/dbraw/zinc/28/74/83/563287483.db2.gz MQUJLHIEBFOQPS-VXGBXAGGSA-N -1 3 380.491 2.843 20 10 GFCDHM Cc1ccc(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)c([O-])c1O ZINC000374738237 563381632 /nfs/dbraw/zinc/38/16/32/563381632.db2.gz OUGYGMHVSLUBHC-ZDUSSCGKSA-N -1 3 381.837 2.660 20 10 GFCDHM CCn1cnnc1[C@@H]1CN([C@H](C)c2cc(Br)ccc2[O-])CCO1 ZINC000365527262 563786185 /nfs/dbraw/zinc/78/61/85/563786185.db2.gz HLYVFGXUWPQJMD-ABAIWWIYSA-N -1 3 381.274 2.901 20 10 GFCDHM CCn1cnnc1[C@@H]1CN([C@@H](C)c2cc(Br)ccc2[O-])CCO1 ZINC000365527264 563786250 /nfs/dbraw/zinc/78/62/50/563786250.db2.gz HLYVFGXUWPQJMD-NHYWBVRUSA-N -1 3 381.274 2.901 20 10 GFCDHM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735874867 598382179 /nfs/dbraw/zinc/38/21/79/598382179.db2.gz VFDUKYDQGGCNJB-UHFFFAOYSA-N -1 3 393.495 2.782 20 10 GFCDHM Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233832 598609676 /nfs/dbraw/zinc/60/96/76/598609676.db2.gz IAOCTAAGQWHYSX-ZIAGYGMSSA-N -1 3 380.452 2.524 20 10 GFCDHM Cc1cc(C(=O)NCCc2cccnc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236271 598611173 /nfs/dbraw/zinc/61/11/73/598611173.db2.gz HJLAMOXBVGNKRS-UHFFFAOYSA-N -1 3 387.447 2.642 20 10 GFCDHM Cc1cc(C(=O)N2CCSC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233966 599575714 /nfs/dbraw/zinc/57/57/14/599575714.db2.gz MTWRGALKGVVKNN-ZDUSSCGKSA-N -1 3 382.493 2.852 20 10 GFCDHM Cc1cc(C(=O)NCc2cccc(F)n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260085 607432196 /nfs/dbraw/zinc/43/21/96/607432196.db2.gz VJPWDYXLWGYDLU-UHFFFAOYSA-N -1 3 391.410 2.738 20 10 GFCDHM COc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1F ZINC000821832037 606633944 /nfs/dbraw/zinc/63/39/44/606633944.db2.gz XHRBMEQVGAPTAC-UHFFFAOYSA-N -1 3 388.834 2.994 20 10 GFCDHM COc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)cc1F ZINC000821832037 606633945 /nfs/dbraw/zinc/63/39/45/606633945.db2.gz XHRBMEQVGAPTAC-UHFFFAOYSA-N -1 3 388.834 2.994 20 10 GFCDHM Cc1cc(C(=O)N2CCC[C@H]2C[C@H](C)O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258042 607779590 /nfs/dbraw/zinc/77/95/90/607779590.db2.gz XNVCTSRXZSJDOJ-KSSFIOAISA-N -1 3 394.479 2.650 20 10 GFCDHM CCC1(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CCOCC1 ZINC000825176245 608090382 /nfs/dbraw/zinc/09/03/82/608090382.db2.gz LXDJVGACIAKRFR-UHFFFAOYSA-N -1 3 394.479 2.963 20 10 GFCDHM Cn1cc(I)c(CNCc2cc(Cl)ccc2[O-])n1 ZINC000825079594 660409895 /nfs/dbraw/zinc/40/98/95/660409895.db2.gz WBKNCUFEXZAYKR-UHFFFAOYSA-N -1 3 377.613 2.674 20 10 GFCDHM CNc1nc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cs1 ZINC000123257275 654754589 /nfs/dbraw/zinc/75/45/89/654754589.db2.gz YYBVFIMAFMRDSP-CYBMUJFWSA-N -1 3 380.901 2.938 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000179766832 655317101 /nfs/dbraw/zinc/31/71/01/655317101.db2.gz NVTJGCDLZYCYCD-ZDUSSCGKSA-N -1 3 380.388 2.615 20 10 GFCDHM CC(C)(C)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(F)(F)F ZINC000183076133 655348948 /nfs/dbraw/zinc/34/89/48/655348948.db2.gz WNUACMJIFZMHBQ-LBPRGKRZSA-N -1 3 382.404 2.861 20 10 GFCDHM Cn1cc(CNCc2cccc(Br)c2[O-])c(Br)n1 ZINC000720668721 655524643 /nfs/dbraw/zinc/52/46/43/655524643.db2.gz GYLBEEITCOABJF-UHFFFAOYSA-N -1 3 375.064 2.941 20 10 GFCDHM C[C@@H](O)[C@H]1CCN(c2cc(NCc3cccc(Br)c3[O-])ncn2)C1 ZINC000840294613 661152370 /nfs/dbraw/zinc/15/23/70/661152370.db2.gz PCTRUTWZGYGGNF-YPMHNXCESA-N -1 3 393.285 2.764 20 10 GFCDHM CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000758169604 655925166 /nfs/dbraw/zinc/92/51/66/655925166.db2.gz VBAXQLLQOQSXOS-UHFFFAOYSA-N -1 3 393.845 2.530 20 10 GFCDHM O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768156592 656233445 /nfs/dbraw/zinc/23/34/45/656233445.db2.gz OLQAVVBCTBZHMH-UHFFFAOYSA-N -1 3 384.860 2.691 20 10 GFCDHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000769783578 656291006 /nfs/dbraw/zinc/29/10/06/656291006.db2.gz YMOZANODMUYDEY-JTQLQIEISA-N -1 3 383.495 2.670 20 10 GFCDHM CSc1ccc(F)cc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769933567 656301796 /nfs/dbraw/zinc/30/17/96/656301796.db2.gz DMZFWORZOTUSCS-UHFFFAOYSA-N -1 3 384.454 2.555 20 10 GFCDHM Cc1cc(Br)cn2cc(CNC(=O)c3cccc(O)c3[O-])nc12 ZINC000790933178 658046096 /nfs/dbraw/zinc/04/60/96/658046096.db2.gz OYAIPWOFDOWXEI-UHFFFAOYSA-N -1 3 376.210 2.746 20 10 GFCDHM C[C@H]1CN(CCCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000804901491 659692498 /nfs/dbraw/zinc/69/24/98/659692498.db2.gz HKKZACYZXVMIEQ-RYUDHWBXSA-N -1 3 390.311 2.998 20 10 GFCDHM Cn1nccc1C(NCc1ccc(Br)cc1[O-])c1ccnn1C ZINC000862540909 662290635 /nfs/dbraw/zinc/29/06/35/662290635.db2.gz MLVVJOUWEUZIDS-UHFFFAOYSA-N -1 3 376.258 2.501 20 10 GFCDHM O=C(N[C@]1(CO)CCc2cc(Br)ccc2C1)c1cccc(O)c1[O-] ZINC000862772871 662301375 /nfs/dbraw/zinc/30/13/75/662301375.db2.gz YTIPSVCZUIXLIK-GOSISDBHSA-N -1 3 392.249 2.510 20 10 GFCDHM Cn1ncc(I)c1CNCc1cc(Cl)c(F)cc1[O-] ZINC000877776483 662883491 /nfs/dbraw/zinc/88/34/91/662883491.db2.gz MJHUGQQUIDORPW-UHFFFAOYSA-N -1 3 395.603 2.813 20 10 GFCDHM O=S(=O)(NC1CCN(Cc2cc(F)cc(F)c2[O-])CC1)c1cccs1 ZINC000893916517 663431487 /nfs/dbraw/zinc/43/14/87/663431487.db2.gz JTVZGYIDODEZDX-UHFFFAOYSA-N -1 3 388.461 2.675 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)c1c(C)noc1C ZINC000123901493 551309707 /nfs/dbraw/zinc/30/97/07/551309707.db2.gz AVIJGYVPPIRKIM-UHFFFAOYSA-N -1 3 389.271 2.970 20 10 GFCDHM COc1cc(Cl)cc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1[O-] ZINC000184684254 552342202 /nfs/dbraw/zinc/34/22/02/552342202.db2.gz FHKQWKIUDDRUGI-LLVKDONJSA-N -1 3 384.885 2.895 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)c1[O-] ZINC000190146069 552488816 /nfs/dbraw/zinc/48/88/16/552488816.db2.gz OOWSHYPTKQGNKY-OLZOCXBDSA-N -1 3 398.257 2.817 20 10 GFCDHM CCCn1nc2c(cc1=O)CN(Cc1cc(Br)ccc1[O-])CC2 ZINC000371311247 563272633 /nfs/dbraw/zinc/27/26/33/563272633.db2.gz UHTNTVABYWSJMV-UHFFFAOYSA-N -1 3 378.270 2.680 20 10 GFCDHM C[C@@H]1C[C@@H](c2ccsc2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000364638177 563760168 /nfs/dbraw/zinc/76/01/68/563760168.db2.gz MEWXCPLYYGLRLT-DGCLKSJQSA-N -1 3 380.491 2.843 20 10 GFCDHM C[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000368211637 563865983 /nfs/dbraw/zinc/86/59/83/563865983.db2.gz IAJQAPYBUDYYPE-XHDPSFHLSA-N -1 3 383.286 2.585 20 10 GFCDHM Cc1cnc(CNC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)s1 ZINC000737445352 599250136 /nfs/dbraw/zinc/25/01/36/599250136.db2.gz FYMBJCYKAIVNBU-UHFFFAOYSA-N -1 3 393.476 2.969 20 10 GFCDHM FC(F)Oc1ccc(N2CCC(Nc3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000737639019 598355102 /nfs/dbraw/zinc/35/51/02/598355102.db2.gz JVTNGNMPURDPFQ-UHFFFAOYSA-N -1 3 387.394 2.944 20 10 GFCDHM FC(F)Oc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000737639019 598355103 /nfs/dbraw/zinc/35/51/03/598355103.db2.gz JVTNGNMPURDPFQ-UHFFFAOYSA-N -1 3 387.394 2.944 20 10 GFCDHM COc1ccc(N2CCCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000737100417 598390534 /nfs/dbraw/zinc/39/05/34/598390534.db2.gz WYCJALKGCXTFST-UHFFFAOYSA-N -1 3 385.859 2.640 20 10 GFCDHM COc1ccc(N2CCCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000737100417 598390536 /nfs/dbraw/zinc/39/05/36/598390536.db2.gz WYCJALKGCXTFST-UHFFFAOYSA-N -1 3 385.859 2.640 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000736533000 598556787 /nfs/dbraw/zinc/55/67/87/598556787.db2.gz XHIGCZRNBZJNAG-UHFFFAOYSA-N -1 3 398.442 2.547 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000736533000 598556788 /nfs/dbraw/zinc/55/67/88/598556788.db2.gz XHIGCZRNBZJNAG-UHFFFAOYSA-N -1 3 398.442 2.547 20 10 GFCDHM CCN(CC)c1ccc(CN(C)C(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736533296 598607166 /nfs/dbraw/zinc/60/71/66/598607166.db2.gz XVGKXGGCBKCCOH-UHFFFAOYSA-N -1 3 394.479 2.750 20 10 GFCDHM Cc1cc(C(=O)NCC[C@H]2CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233378 598610555 /nfs/dbraw/zinc/61/05/55/598610555.db2.gz BXWIPIONUQOSSP-QGZVFWFLSA-N -1 3 380.452 2.573 20 10 GFCDHM Cc1cc(C(=O)NCc2cnc(C)s2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737491953 598612542 /nfs/dbraw/zinc/61/25/42/598612542.db2.gz OSRBMASZGXZJAI-UHFFFAOYSA-N -1 3 393.476 2.969 20 10 GFCDHM Cc1cc(C(=O)OCC(=O)c2ccc[nH]2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737240140 598623074 /nfs/dbraw/zinc/62/30/74/598623074.db2.gz DDUCBTNWJULCLK-UHFFFAOYSA-N -1 3 390.403 2.642 20 10 GFCDHM Cc1cc(C(=O)NCCc2cscn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236635 598690163 /nfs/dbraw/zinc/69/01/63/598690163.db2.gz PJVUTMZOYBDHOJ-UHFFFAOYSA-N -1 3 393.476 2.703 20 10 GFCDHM CN(C)c1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cc1 ZINC000821589547 599460406 /nfs/dbraw/zinc/46/04/06/599460406.db2.gz SGTRBZLTGKELIZ-UHFFFAOYSA-N -1 3 393.495 2.506 20 10 GFCDHM CN(C)c1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)cc1 ZINC000821589547 599460408 /nfs/dbraw/zinc/46/04/08/599460408.db2.gz SGTRBZLTGKELIZ-UHFFFAOYSA-N -1 3 393.495 2.506 20 10 GFCDHM CCC(O)(CC)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820926743 599486916 /nfs/dbraw/zinc/48/69/16/599486916.db2.gz WAKVJULZZCWXLR-UHFFFAOYSA-N -1 3 382.468 2.555 20 10 GFCDHM COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821838322 599486931 /nfs/dbraw/zinc/48/69/31/599486931.db2.gz LCUOICJHTXAKRT-VXGBXAGGSA-N -1 3 382.424 2.702 20 10 GFCDHM COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821838322 599486933 /nfs/dbraw/zinc/48/69/33/599486933.db2.gz LCUOICJHTXAKRT-VXGBXAGGSA-N -1 3 382.424 2.702 20 10 GFCDHM Cn1cc([C@@]2(C)CN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)cn1 ZINC000833043945 602124728 /nfs/dbraw/zinc/12/47/28/602124728.db2.gz ZVMMXSZLCBMRNW-OAQYLSRUSA-N -1 3 381.432 2.725 20 10 GFCDHM CCn1cc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)cn1 ZINC000821565554 606393816 /nfs/dbraw/zinc/39/38/16/606393816.db2.gz YOBLGOOOSIGKTP-VZUCSPMQSA-N -1 3 389.491 2.550 20 10 GFCDHM Cc1cc(C(=O)Nc2cnn(C)c2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822110056 606833272 /nfs/dbraw/zinc/83/32/72/606833272.db2.gz UQNFMPOZJRIUAE-UHFFFAOYSA-N -1 3 376.424 2.568 20 10 GFCDHM CCc1nnc(NCc2ccc(N3CC=CC3)cc2)c(-c2nnn[n-]2)c1CC ZINC000821542630 606938947 /nfs/dbraw/zinc/93/89/47/606938947.db2.gz VFSWKLBSJKUTCY-UHFFFAOYSA-N -1 3 376.468 2.770 20 10 GFCDHM CCc1nnc(NCc2ccc(N3CC=CC3)cc2)c(-c2nn[n-]n2)c1CC ZINC000821542630 606938948 /nfs/dbraw/zinc/93/89/48/606938948.db2.gz VFSWKLBSJKUTCY-UHFFFAOYSA-N -1 3 376.468 2.770 20 10 GFCDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCc1c(O)ccc2c1CCCC2 ZINC000822928730 607235158 /nfs/dbraw/zinc/23/51/58/607235158.db2.gz LOMSXQSXMKHBET-BENRWUELSA-N -1 3 375.432 2.781 20 10 GFCDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCc1c(O)ccc2c1CCCC2 ZINC000822928730 607235159 /nfs/dbraw/zinc/23/51/59/607235159.db2.gz LOMSXQSXMKHBET-BENRWUELSA-N -1 3 375.432 2.781 20 10 GFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825435006 608195110 /nfs/dbraw/zinc/19/51/10/608195110.db2.gz IYTRRDFGZQXZOQ-UHFFFAOYSA-N -1 3 386.406 2.873 20 10 GFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825435006 608195111 /nfs/dbraw/zinc/19/51/11/608195111.db2.gz IYTRRDFGZQXZOQ-UHFFFAOYSA-N -1 3 386.406 2.873 20 10 GFCDHM CN(C)c1ccc(CN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cc1F ZINC000825879264 608595510 /nfs/dbraw/zinc/59/55/10/608595510.db2.gz JPABEOYWFQYEAL-UHFFFAOYSA-N -1 3 399.449 2.533 20 10 GFCDHM CN(C)c1ccc(CN2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cc1F ZINC000825879264 608595513 /nfs/dbraw/zinc/59/55/13/608595513.db2.gz JPABEOYWFQYEAL-UHFFFAOYSA-N -1 3 399.449 2.533 20 10 GFCDHM Cc1cc(C(=O)N[C@H]2CCO[C@H](C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259642 608828887 /nfs/dbraw/zinc/82/88/87/608828887.db2.gz YVUXLNAVXWYDDH-CJNGLKHVSA-N -1 3 380.452 2.572 20 10 GFCDHM C[C@H](O)[C@H](NCc1ccc(Br)cc1[O-])C(=O)OCc1ccccc1 ZINC000826003887 660447513 /nfs/dbraw/zinc/44/75/13/660447513.db2.gz ZBYNQYFKKWISQS-SJCJKPOMSA-N -1 3 394.265 2.737 20 10 GFCDHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCCSc2nccs2)c1 ZINC000735315605 655644912 /nfs/dbraw/zinc/64/49/12/655644912.db2.gz YGSKQKLBHYJQES-UHFFFAOYSA-N -1 3 390.483 2.530 20 10 GFCDHM C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])Sc1ccccc1 ZINC000743730822 655731196 /nfs/dbraw/zinc/73/11/96/655731196.db2.gz FZWWAHNWTSHARB-GFCCVEGCSA-N -1 3 380.491 2.674 20 10 GFCDHM Cc1nc(C(C)(C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])sc1C ZINC000769886885 656297146 /nfs/dbraw/zinc/29/71/46/656297146.db2.gz GKDAMRQGZZWOIT-UHFFFAOYSA-N -1 3 383.495 2.502 20 10 GFCDHM CCC1(CC)CN(Cc2cc(Br)ccc2[O-])CCS1(=O)=O ZINC000779226938 656908962 /nfs/dbraw/zinc/90/89/62/656908962.db2.gz XRKOPVRSWWECMC-UHFFFAOYSA-N -1 3 376.316 2.944 20 10 GFCDHM CCn1nc2c(cc1=O)CN(Cc1cc(C)cc(Br)c1[O-])CC2 ZINC000781908427 657088270 /nfs/dbraw/zinc/08/82/70/657088270.db2.gz MTKOLXGBVUNIMI-UHFFFAOYSA-N -1 3 378.270 2.598 20 10 GFCDHM CSc1ccccc1[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000800578036 659317958 /nfs/dbraw/zinc/31/79/58/659317958.db2.gz JHRNPISOHXORCP-LLVKDONJSA-N -1 3 380.491 2.977 20 10 GFCDHM CC(C)Nc1nc(NCCO)nc(NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000808087215 659875983 /nfs/dbraw/zinc/87/59/83/659875983.db2.gz PUDHZRWJPIRVQL-UHFFFAOYSA-N -1 3 387.271 2.721 20 10 GFCDHM CN(Cc1c([O-])cccc1Br)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000862247735 662277068 /nfs/dbraw/zinc/27/70/68/662277068.db2.gz BNKYMGPCNDLSQG-UKRRQHHQSA-N -1 3 376.316 2.942 20 10 GFCDHM [O-]c1cccc(Br)c1CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000862422983 662287050 /nfs/dbraw/zinc/28/70/50/662287050.db2.gz MJVWXYXYTKYYIS-UONOGXRCSA-N -1 3 390.281 2.505 20 10 GFCDHM CN(C)[S@](C)(=O)=NCC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000898399170 663648396 /nfs/dbraw/zinc/64/83/96/663648396.db2.gz QJXJFWLFGXXDOB-XMMPIXPASA-N -1 3 377.913 2.971 20 10 GFCDHM C[C@@H](N[C@@H]1Cc2cc(Br)cnc2NC1=O)c1c([O-])cccc1F ZINC000903326764 663782062 /nfs/dbraw/zinc/78/20/62/663782062.db2.gz RZUMGXGDXPKNEM-PRHODGIISA-N -1 3 380.217 2.903 20 10 GFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1nccnc1Cl ZINC000907061255 663998271 /nfs/dbraw/zinc/99/82/71/663998271.db2.gz UDHMDKTWYPCMDV-CYBMUJFWSA-N -1 3 381.263 2.883 20 10 GFCDHM C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(Br)cc1[O-] ZINC000186022063 552376901 /nfs/dbraw/zinc/37/69/01/552376901.db2.gz BYRVWURURZRTRW-KWQFWETISA-N -1 3 381.192 2.969 20 10 GFCDHM CCN(C)C(=O)[C@H](C)NC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000188027215 552431780 /nfs/dbraw/zinc/43/17/80/552431780.db2.gz ACKQCUPVJSQONV-NSHDSACASA-N -1 3 386.290 2.553 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1[O-] ZINC000365557189 563786813 /nfs/dbraw/zinc/78/68/13/563786813.db2.gz QXEGJDPSOPXXIT-NVGCLXPQSA-N -1 3 386.286 2.932 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)CC[C@H]1CCOC1 ZINC000292952145 563797256 /nfs/dbraw/zinc/79/72/56/563797256.db2.gz BRWJKCZACMOBKM-GFCCVEGCSA-N -1 3 392.315 2.733 20 10 GFCDHM C[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(Br)cc1[O-] ZINC000368211636 563866230 /nfs/dbraw/zinc/86/62/30/563866230.db2.gz IAJQAPYBUDYYPE-NHYWBVRUSA-N -1 3 383.286 2.585 20 10 GFCDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000737064088 599021607 /nfs/dbraw/zinc/02/16/07/599021607.db2.gz TZYQGROFCHNBLF-UHFFFAOYSA-N -1 3 391.435 2.573 20 10 GFCDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000737064088 599021610 /nfs/dbraw/zinc/02/16/10/599021610.db2.gz TZYQGROFCHNBLF-UHFFFAOYSA-N -1 3 391.435 2.573 20 10 GFCDHM COc1ccc(C=C2SC(=S)N(c3cccnc3)C2=O)cc1-c1nnn[n-]1 ZINC000737084433 599154656 /nfs/dbraw/zinc/15/46/56/599154656.db2.gz UDIVABCDACXMEE-RIYZIHGNSA-N -1 3 396.457 2.676 20 10 GFCDHM COc1ccc(C=C2SC(=S)N(c3cccnc3)C2=O)cc1-c1nn[n-]n1 ZINC000737084433 599154658 /nfs/dbraw/zinc/15/46/58/599154658.db2.gz UDIVABCDACXMEE-RIYZIHGNSA-N -1 3 396.457 2.676 20 10 GFCDHM FC(F)Oc1ccc(NNC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000737638641 598324703 /nfs/dbraw/zinc/32/47/03/598324703.db2.gz IDUDJWJJBSAHDA-UHFFFAOYSA-N -1 3 377.380 2.782 20 10 GFCDHM FC(F)Oc1ccc(NNC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC000737638641 598324704 /nfs/dbraw/zinc/32/47/04/598324704.db2.gz IDUDJWJJBSAHDA-UHFFFAOYSA-N -1 3 377.380 2.782 20 10 GFCDHM Cc1cc(C(=O)N2CCOC(C)(C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235203 598610679 /nfs/dbraw/zinc/61/06/79/598610679.db2.gz TYVQSFXRQBFECB-UHFFFAOYSA-N -1 3 380.452 2.525 20 10 GFCDHM CN1CCCc2cc(CNC(=O)CSc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000736855440 598656606 /nfs/dbraw/zinc/65/66/06/598656606.db2.gz BZMFDQMZVHEAHT-UHFFFAOYSA-N -1 3 394.504 2.658 20 10 GFCDHM CN1CCCc2cc(CNC(=O)CSc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000736855440 598656608 /nfs/dbraw/zinc/65/66/08/598656608.db2.gz BZMFDQMZVHEAHT-UHFFFAOYSA-N -1 3 394.504 2.658 20 10 GFCDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000823074742 599335311 /nfs/dbraw/zinc/33/53/11/599335311.db2.gz UKDLYQQGOUHYOJ-UHFFFAOYSA-N -1 3 389.415 2.937 20 10 GFCDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000823074742 599335315 /nfs/dbraw/zinc/33/53/15/599335315.db2.gz UKDLYQQGOUHYOJ-UHFFFAOYSA-N -1 3 389.415 2.937 20 10 GFCDHM COc1cc(O)c(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1OC ZINC000833729793 604544481 /nfs/dbraw/zinc/54/44/81/604544481.db2.gz ZQZGKLMSOYRHOG-CQSZACIVSA-N -1 3 386.448 2.818 20 10 GFCDHM CC[C@H](O)CCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000820931940 606323302 /nfs/dbraw/zinc/32/33/02/606323302.db2.gz KQRRKDAZJWPIPD-KRWDZBQOSA-N -1 3 382.468 2.555 20 10 GFCDHM Cc1cc(C(=O)N2CCOC(C)(C)[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168474 606935048 /nfs/dbraw/zinc/93/50/48/606935048.db2.gz NOSJHLCPWJMEOM-OAHLLOKOSA-N -1 3 394.479 2.914 20 10 GFCDHM Cc1cc(C(=O)N(C)C[C@@H]2CCC[C@@H]2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257373 607863011 /nfs/dbraw/zinc/86/30/11/607863011.db2.gz ZQPVKYUKKWCKHF-LPHOPBHVSA-N -1 3 394.479 2.507 20 10 GFCDHM Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2CO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259102 607993528 /nfs/dbraw/zinc/99/35/28/607993528.db2.gz HLCJJJFNKCZUOR-VQIMIIECSA-N -1 3 394.479 2.555 20 10 GFCDHM CC[C@@H](C[C@@H](C)CO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825081116 607994090 /nfs/dbraw/zinc/99/40/90/607994090.db2.gz GJVIKSDOJHQNMR-DYVFJYSZSA-N -1 3 396.495 2.801 20 10 GFCDHM O=C1C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)SC(=S)N1c1cccnc1 ZINC000826475439 608876148 /nfs/dbraw/zinc/87/61/48/608876148.db2.gz GGXFWZRIYYADHC-NTUHNPAUSA-N -1 3 384.421 2.807 20 10 GFCDHM O=C1C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)SC(=S)N1c1cccnc1 ZINC000826475439 608876150 /nfs/dbraw/zinc/87/61/50/608876150.db2.gz GGXFWZRIYYADHC-NTUHNPAUSA-N -1 3 384.421 2.807 20 10 GFCDHM Cc1cc(C(=O)Nc2ccc3nncn3c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260559 609263024 /nfs/dbraw/zinc/26/30/24/609263024.db2.gz ULEOPEFTMKQMQM-UHFFFAOYSA-N -1 3 399.418 2.569 20 10 GFCDHM O=C(NCC(F)F)[C@@H]1CCCCN1Cc1cc(Br)ccc1[O-] ZINC000825068494 660409167 /nfs/dbraw/zinc/40/91/67/660409167.db2.gz QWNBCBHEYOYDJA-LBPRGKRZSA-N -1 3 377.229 2.891 20 10 GFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccc(Cl)nn1 ZINC000827095366 660478838 /nfs/dbraw/zinc/47/88/38/660478838.db2.gz FFLCSLLPPGMCEH-ZDUSSCGKSA-N -1 3 381.263 2.883 20 10 GFCDHM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)oc2C)c(F)c1 ZINC000830150143 660638173 /nfs/dbraw/zinc/63/81/73/660638173.db2.gz FVUKYCQRIRQZLO-UHFFFAOYSA-N -1 3 390.458 2.988 20 10 GFCDHM CN(Cc1cccc(Br)c1[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245760028 655428474 /nfs/dbraw/zinc/42/84/74/655428474.db2.gz PNVDNEZOXGOKCO-ZIAGYGMSSA-N -1 3 376.316 2.942 20 10 GFCDHM CCn1cc([C@H]2C[S@](=O)CCN2Cc2cc(Br)ccc2[O-])cn1 ZINC000754153889 655864349 /nfs/dbraw/zinc/86/43/49/655864349.db2.gz KGQGKAJCOOJNBM-IQMFZBJNSA-N -1 3 398.326 2.677 20 10 GFCDHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1c([O-])cccc1Br ZINC000862235200 662275468 /nfs/dbraw/zinc/27/54/68/662275468.db2.gz OCFCPDVKZVIJGE-NSHDSACASA-N -1 3 399.310 2.995 20 10 GFCDHM CC(C)CN1C[C@H]2CN(Cc3c([O-])cccc3Br)CCN2C1=O ZINC000862349883 662281912 /nfs/dbraw/zinc/28/19/12/662281912.db2.gz WMTJJLWJUUGJGZ-CYBMUJFWSA-N -1 3 382.302 2.733 20 10 GFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC000884968202 663080582 /nfs/dbraw/zinc/08/05/82/663080582.db2.gz LJPJGWOJYQOBAP-SFHVURJKSA-N -1 3 392.249 2.984 20 10 GFCDHM [O-]c1ccc(Br)cc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000156044671 551513296 /nfs/dbraw/zinc/51/32/96/551513296.db2.gz ZXTCAAGNBWHOMN-UHFFFAOYSA-N -1 3 377.164 2.781 20 10 GFCDHM O=C(Nc1nncs1)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000377722358 563484124 /nfs/dbraw/zinc/48/41/24/563484124.db2.gz VHEJYTDGQKGCAV-UHFFFAOYSA-N -1 3 397.298 2.857 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000290316227 563704648 /nfs/dbraw/zinc/70/46/48/563704648.db2.gz KKOMQYQPAKKVJO-JGGQBBKZSA-N -1 3 384.270 2.555 20 10 GFCDHM C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000364638179 563760415 /nfs/dbraw/zinc/76/04/15/563760415.db2.gz MEWXCPLYYGLRLT-YPMHNXCESA-N -1 3 380.491 2.843 20 10 GFCDHM COc1ccc(Cl)c(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821823833 599225659 /nfs/dbraw/zinc/22/56/59/599225659.db2.gz DGABNJRETNQRDB-UHFFFAOYSA-N -1 3 375.845 2.842 20 10 GFCDHM COc1ccc(Cl)c(NC(=S)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821823833 599225662 /nfs/dbraw/zinc/22/56/62/599225662.db2.gz DGABNJRETNQRDB-UHFFFAOYSA-N -1 3 375.845 2.842 20 10 GFCDHM CCN(Cc1cc(Br)ccc1O)c1ncccc1-c1nnn[n-]1 ZINC000821220945 607302242 /nfs/dbraw/zinc/30/22/42/607302242.db2.gz GNRMQSXMZNYBAX-UHFFFAOYSA-N -1 3 375.230 2.756 20 10 GFCDHM CCN(Cc1cc(Br)ccc1O)c1ncccc1-c1nn[n-]n1 ZINC000821220945 607302243 /nfs/dbraw/zinc/30/22/43/607302243.db2.gz GNRMQSXMZNYBAX-UHFFFAOYSA-N -1 3 375.230 2.756 20 10 GFCDHM CN(CCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000736801461 598318961 /nfs/dbraw/zinc/31/89/61/598318961.db2.gz WEMPDDVMGGKJCC-UHFFFAOYSA-N -1 3 387.900 2.943 20 10 GFCDHM CN(CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000736801461 598318963 /nfs/dbraw/zinc/31/89/63/598318963.db2.gz WEMPDDVMGGKJCC-UHFFFAOYSA-N -1 3 387.900 2.943 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000736532956 598556384 /nfs/dbraw/zinc/55/63/84/598556384.db2.gz WFSLRZCRCDSLTI-UHFFFAOYSA-N -1 3 382.443 2.711 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736532956 598556386 /nfs/dbraw/zinc/55/63/86/598556386.db2.gz WFSLRZCRCDSLTI-UHFFFAOYSA-N -1 3 382.443 2.711 20 10 GFCDHM Cc1cc(C(=O)Nc2ncccc2[O-])c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737238804 598617699 /nfs/dbraw/zinc/61/76/99/598617699.db2.gz UNSPLSSQQRYXOV-UHFFFAOYSA-N -1 3 375.392 2.627 20 10 GFCDHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(OC)cc1 ZINC000821230529 599636698 /nfs/dbraw/zinc/63/66/98/599636698.db2.gz MNUKDWTYSYKHKO-UHFFFAOYSA-N -1 3 377.408 2.952 20 10 GFCDHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ccc(OC)cc1 ZINC000821230529 599636699 /nfs/dbraw/zinc/63/66/99/599636699.db2.gz MNUKDWTYSYKHKO-UHFFFAOYSA-N -1 3 377.408 2.952 20 10 GFCDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000826244576 607461770 /nfs/dbraw/zinc/46/17/70/607461770.db2.gz XLBAALJQYLUSAR-KRWDZBQOSA-N -1 3 393.447 2.702 20 10 GFCDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000826244576 607461771 /nfs/dbraw/zinc/46/17/71/607461771.db2.gz XLBAALJQYLUSAR-KRWDZBQOSA-N -1 3 393.447 2.702 20 10 GFCDHM CSCCCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC1=S ZINC000821960836 607462126 /nfs/dbraw/zinc/46/21/26/607462126.db2.gz DKGOFSAUNDNDED-WQLSENKSSA-N -1 3 395.510 2.960 20 10 GFCDHM CSCCCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC1=S ZINC000821960836 607462128 /nfs/dbraw/zinc/46/21/28/607462128.db2.gz DKGOFSAUNDNDED-WQLSENKSSA-N -1 3 395.510 2.960 20 10 GFCDHM CCc1ncc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)cn1 ZINC000825750636 607629418 /nfs/dbraw/zinc/62/94/18/607629418.db2.gz UXXBRJZMFRGKSW-UHFFFAOYSA-N -1 3 388.435 2.879 20 10 GFCDHM CN(C)Cc1cccc(C(=O)NC[C@H](NC(=O)[O-])c2ccc(N(C)C)cc2)c1 ZINC000828045981 603932044 /nfs/dbraw/zinc/93/20/44/603932044.db2.gz DVNIZLCCMYXZRK-IBGZPJMESA-N -1 3 384.480 2.553 20 10 GFCDHM FC(F)Oc1ccc(N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)cc1 ZINC000822733202 606096759 /nfs/dbraw/zinc/09/67/59/606096759.db2.gz SGMLQDWVAHYEPY-CYBMUJFWSA-N -1 3 387.394 2.944 20 10 GFCDHM FC(F)Oc1ccc(N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)cc1 ZINC000822733202 606096763 /nfs/dbraw/zinc/09/67/63/606096763.db2.gz SGMLQDWVAHYEPY-CYBMUJFWSA-N -1 3 387.394 2.944 20 10 GFCDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000823103755 606276368 /nfs/dbraw/zinc/27/63/68/606276368.db2.gz KVKBGJWXTPFDLH-UHFFFAOYSA-N -1 3 396.414 2.758 20 10 GFCDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000823103755 606276370 /nfs/dbraw/zinc/27/63/70/606276370.db2.gz KVKBGJWXTPFDLH-UHFFFAOYSA-N -1 3 396.414 2.758 20 10 GFCDHM CSCCCN1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000821962051 606334651 /nfs/dbraw/zinc/33/46/51/606334651.db2.gz OICDXPJMSQEVLD-UXBLZVDNSA-N -1 3 383.549 2.883 20 10 GFCDHM CSCCCN1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000821962051 606334652 /nfs/dbraw/zinc/33/46/52/606334652.db2.gz OICDXPJMSQEVLD-UXBLZVDNSA-N -1 3 383.549 2.883 20 10 GFCDHM Cc1cc(C(=O)NCC2(C)CCOCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176314 606606943 /nfs/dbraw/zinc/60/69/43/606606943.db2.gz IZLSVLJYVPXSEE-UHFFFAOYSA-N -1 3 394.479 2.821 20 10 GFCDHM Cc1cc(C(=O)N2CC[C@]3(CCOC3)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168815 606814287 /nfs/dbraw/zinc/81/42/87/606814287.db2.gz SSANWHMPWGINBD-NRFANRHFSA-N -1 3 392.463 2.527 20 10 GFCDHM O=C(NCc1ccc(O)c(O)c1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826442486 660454792 /nfs/dbraw/zinc/45/47/92/660454792.db2.gz XMVKYSVUULHUHZ-UHFFFAOYSA-N -1 3 380.191 2.515 20 10 GFCDHM O=C(NCc1ccc(O)c(O)c1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826442486 660454794 /nfs/dbraw/zinc/45/47/94/660454794.db2.gz XMVKYSVUULHUHZ-UHFFFAOYSA-N -1 3 380.191 2.515 20 10 GFCDHM Cn1ccnc1[C@@H](O)C1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000093454808 655019859 /nfs/dbraw/zinc/01/98/59/655019859.db2.gz WTPBKBUOUWKLCJ-INIZCTEOSA-N -1 3 380.286 2.834 20 10 GFCDHM CCc1nsc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)n1 ZINC000093642905 655020139 /nfs/dbraw/zinc/02/01/39/655020139.db2.gz IDBLABNPGLLDJS-UHFFFAOYSA-N -1 3 383.315 2.891 20 10 GFCDHM CC[C@@](C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1nc(C)cs1 ZINC000271387055 655079123 /nfs/dbraw/zinc/07/91/23/655079123.db2.gz LECMXJOSAVJXHG-MRXNPFEDSA-N -1 3 383.495 2.584 20 10 GFCDHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccccc2O)c(Cl)cc1Cl ZINC000751150431 655822143 /nfs/dbraw/zinc/82/21/43/655822143.db2.gz FUNUFMADHAKHFC-UHFFFAOYSA-N -1 3 390.244 2.964 20 10 GFCDHM C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000781048181 657040985 /nfs/dbraw/zinc/04/09/85/657040985.db2.gz GEYVBRMZEQUXQU-ZJUUUORDSA-N -1 3 380.388 2.567 20 10 GFCDHM O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000847403425 661590838 /nfs/dbraw/zinc/59/08/38/661590838.db2.gz ZXGWOMKFUIFIFD-NSHDSACASA-N -1 3 386.239 2.668 20 10 GFCDHM [O-]c1ccc(Br)cc1CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856534426 662037052 /nfs/dbraw/zinc/03/70/52/662037052.db2.gz NSTNZGGJCRIQNF-JKSUJKDBSA-N -1 3 390.281 2.505 20 10 GFCDHM O=S1(=O)Cc2ccccc2[C@@H](NCc2cc(Br)ccc2[O-])C1 ZINC000857061716 662062051 /nfs/dbraw/zinc/06/20/51/662062051.db2.gz UQPOZHMCZRPMIZ-HNNXBMFYSA-N -1 3 382.279 2.914 20 10 GFCDHM CCCCN(Cc1c([O-])cccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000862212158 662273601 /nfs/dbraw/zinc/27/36/01/662273601.db2.gz HMWZTGYNPWCDNR-GFCCVEGCSA-N -1 3 376.316 2.944 20 10 GFCDHM COc1cc(Br)cc(CN2CCC(N3CCCNC3=O)CC2)c1[O-] ZINC000093668863 551195645 /nfs/dbraw/zinc/19/56/45/551195645.db2.gz FQRMNOTUTDQXIO-UHFFFAOYSA-N -1 3 398.301 2.543 20 10 GFCDHM CN(C)c1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000123619504 551307383 /nfs/dbraw/zinc/30/73/83/551307383.db2.gz BZSBGGINLVAPOM-UHFFFAOYSA-N -1 3 379.551 2.757 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCc1ccc(C(N)=O)o1 ZINC000176633870 552143035 /nfs/dbraw/zinc/14/30/35/552143035.db2.gz CWYGALRLUCSGFI-UHFFFAOYSA-N -1 3 396.241 2.578 20 10 GFCDHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000180647384 552232371 /nfs/dbraw/zinc/23/23/71/552232371.db2.gz QJZMBNVEWDAXMR-MLGOLLRUSA-N -1 3 380.286 2.834 20 10 GFCDHM COc1cc(Br)cc(CN2CCN(c3cc(C)[nH]n3)CC2)c1[O-] ZINC000189017361 552460805 /nfs/dbraw/zinc/46/08/05/552460805.db2.gz QLHXAHGHWMVAQU-UHFFFAOYSA-N -1 3 381.274 2.517 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H]1CCN(C2CCOCC2)C1=O ZINC000370055973 563232414 /nfs/dbraw/zinc/23/24/14/563232414.db2.gz OAMFXBSTCDJZGQ-INIZCTEOSA-N -1 3 397.313 2.757 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@H](C)OC3(CCOCC3)C2)c1[O-] ZINC000365790676 563793532 /nfs/dbraw/zinc/79/35/32/563793532.db2.gz UJYQNGZBTGNIMF-LBPRGKRZSA-N -1 3 386.286 2.933 20 10 GFCDHM Cn1ccnc1C(NCc1cc(Br)ccc1[O-])c1nccn1C ZINC000527753627 564759786 /nfs/dbraw/zinc/75/97/86/564759786.db2.gz LLKXYZUIFIFOBL-UHFFFAOYSA-N -1 3 376.258 2.501 20 10 GFCDHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821002035 599157929 /nfs/dbraw/zinc/15/79/29/599157929.db2.gz UOLZNQJOHWRWTO-YOEHRIQHSA-N -1 3 394.479 2.914 20 10 GFCDHM CCc1cc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n(C)n1 ZINC000736678393 599168842 /nfs/dbraw/zinc/16/88/42/599168842.db2.gz ZGRZLFZOBFQHJA-UHFFFAOYSA-N -1 3 390.451 2.822 20 10 GFCDHM OC1CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)cc3F)cc2F)CC1 ZINC000738390885 598240208 /nfs/dbraw/zinc/24/02/08/598240208.db2.gz UCPFDTLLZXNFDK-UHFFFAOYSA-N -1 3 386.406 2.718 20 10 GFCDHM CN(C)c1ccc(CN(CC(=O)Nc2sccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000821589655 607364389 /nfs/dbraw/zinc/36/43/89/607364389.db2.gz XSZPDQNIAJGXFA-UHFFFAOYSA-N -1 3 397.508 2.597 20 10 GFCDHM CN(C)c1ccc(CN(CC(=O)Nc2sccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000821589655 607364391 /nfs/dbraw/zinc/36/43/91/607364391.db2.gz XSZPDQNIAJGXFA-UHFFFAOYSA-N -1 3 397.508 2.597 20 10 GFCDHM COc1ccc(O)c([C@@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737107012 598778117 /nfs/dbraw/zinc/77/81/17/598778117.db2.gz YGAPFTRGWRMGLQ-LLVKDONJSA-N -1 3 385.449 2.550 20 10 GFCDHM COc1ccc(O)c([C@@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737107012 598778119 /nfs/dbraw/zinc/77/81/19/598778119.db2.gz YGAPFTRGWRMGLQ-LLVKDONJSA-N -1 3 385.449 2.550 20 10 GFCDHM c1ccc2c(c1)nc(NCc1ccc(N3CCOCC3)cc1)cc2-c1nnn[n-]1 ZINC000738432436 599417974 /nfs/dbraw/zinc/41/79/74/599417974.db2.gz FYBDIEFPTZISOA-UHFFFAOYSA-N -1 3 387.447 2.864 20 10 GFCDHM c1ccc2c(c1)nc(NCc1ccc(N3CCOCC3)cc1)cc2-c1nn[n-]n1 ZINC000738432436 599417975 /nfs/dbraw/zinc/41/79/75/599417975.db2.gz FYBDIEFPTZISOA-UHFFFAOYSA-N -1 3 387.447 2.864 20 10 GFCDHM CCC[C@@H](CCO)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821021212 606288533 /nfs/dbraw/zinc/28/85/33/606288533.db2.gz LZAHKDYULBKWJB-INIZCTEOSA-N -1 3 396.495 2.803 20 10 GFCDHM Cc1cc(C(=O)N[C@H]2CCCSC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822168762 606364583 /nfs/dbraw/zinc/36/45/83/606364583.db2.gz RGSVRTDBQBFOPM-HNNXBMFYSA-N -1 3 382.493 2.900 20 10 GFCDHM Cc1cc(C(=O)N2CCC[C@H]2CCCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257605 609261491 /nfs/dbraw/zinc/26/14/91/609261491.db2.gz ITLWIFFMYZTARL-KRWDZBQOSA-N -1 3 394.479 2.651 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3c2cccc3Cl)c1 ZINC000055713770 654780376 /nfs/dbraw/zinc/78/03/76/654780376.db2.gz CWHLDRLGWMUNJG-OAHLLOKOSA-N -1 3 380.853 2.834 20 10 GFCDHM O=S(=O)([N-]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)s1 ZINC000056110056 654789181 /nfs/dbraw/zinc/78/91/81/654789181.db2.gz OWXNWTKVNTYZOD-UHFFFAOYSA-N -1 3 390.889 2.856 20 10 GFCDHM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000155986516 655089047 /nfs/dbraw/zinc/08/90/47/655089047.db2.gz FJIWYOYGTUVPOY-UHFFFAOYSA-N -1 3 386.832 2.828 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)c1nc(N)nc(N(C)C)n1 ZINC000157083563 655098271 /nfs/dbraw/zinc/09/82/71/655098271.db2.gz DQLWVGYPXZYOLU-SNVBAGLBSA-N -1 3 395.305 2.571 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000157083389 655098389 /nfs/dbraw/zinc/09/83/89/655098389.db2.gz DQLWVGYPXZYOLU-JTQLQIEISA-N -1 3 395.305 2.571 20 10 GFCDHM C[C@@]1(C(N)=O)CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000280325334 655329283 /nfs/dbraw/zinc/32/92/83/655329283.db2.gz QPWNPVGTQBZIJQ-CYBMUJFWSA-N -1 3 392.091 2.615 20 10 GFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2CCNS(C)(=O)=O)c1[O-] ZINC000750040052 655810758 /nfs/dbraw/zinc/81/07/58/655810758.db2.gz REPIHYSGXYMIEM-HNNXBMFYSA-N -1 3 388.917 2.542 20 10 GFCDHM CC(C)[C@H](C(=O)NCc1cccc(Br)c1[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC000765727270 656149028 /nfs/dbraw/zinc/14/90/28/656149028.db2.gz LEECSHZZPWMQTO-XJKCOSOUSA-N -1 3 399.329 2.905 20 10 GFCDHM O=[N+]([O-])c1ccc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)cn1 ZINC000768303444 656236785 /nfs/dbraw/zinc/23/67/85/656236785.db2.gz RLCHISUMHHTXIF-UHFFFAOYSA-N -1 3 393.241 2.780 20 10 GFCDHM Cc1cc(Br)c([O-])c(CN2CCN(c3nccnc3C)CC2)c1 ZINC000799735725 659218223 /nfs/dbraw/zinc/21/82/23/659218223.db2.gz IAJPCESAEIMYPQ-UHFFFAOYSA-N -1 3 377.286 2.884 20 10 GFCDHM O=C(c1cccc(O)c1[O-])N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000803545882 659587865 /nfs/dbraw/zinc/58/78/65/659587865.db2.gz QBLPMUIZLQIFDG-UHFFFAOYSA-N -1 3 393.193 2.967 20 10 GFCDHM O=S(=O)([N-]Cc1cc(Br)ccc1O)c1cnc(Cl)c(F)c1 ZINC000805100625 659739771 /nfs/dbraw/zinc/73/97/71/659739771.db2.gz GRXAQNNFAQQFTI-UHFFFAOYSA-N -1 3 395.637 2.821 20 10 GFCDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841570318 661304887 /nfs/dbraw/zinc/30/48/87/661304887.db2.gz RCAXYRAEBDPVFZ-LBPRGKRZSA-N -1 3 384.933 2.666 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C(F)F)C2CCCCC2)c1 ZINC000857741528 662089521 /nfs/dbraw/zinc/08/95/21/662089521.db2.gz GWYGTWRNSHODDW-AWEZNQCLSA-N -1 3 376.425 2.708 20 10 GFCDHM O=c1cc(N2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Br)c3[O-])C2)nc[n-]1 ZINC000898149935 663635569 /nfs/dbraw/zinc/63/55/69/663635569.db2.gz KIFHYDBRUBEPDB-LLVKDONJSA-N -1 3 399.676 2.672 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cc3ccccc3s2)c1 ZINC000920464624 664526532 /nfs/dbraw/zinc/52/65/32/664526532.db2.gz KFLOUOOJXWMARF-UHFFFAOYSA-N -1 3 376.459 2.908 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)c1[O-] ZINC000190146039 552488893 /nfs/dbraw/zinc/48/88/93/552488893.db2.gz OOWSHYPTKQGNKY-STQMWFEESA-N -1 3 398.257 2.817 20 10 GFCDHM C[C@H]1CCNC(=O)[C@H]1NCc1cc(Br)cc(Br)c1[O-] ZINC000195007387 553035669 /nfs/dbraw/zinc/03/56/69/553035669.db2.gz SYLSRAPWRRMZFY-CPCISQLKSA-N -1 3 392.091 2.531 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000295347503 563242993 /nfs/dbraw/zinc/24/29/93/563242993.db2.gz YGPAGMBUSQSAPE-BXUZGUMPSA-N -1 3 392.315 2.874 20 10 GFCDHM O=C(c1ccccn1)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000362621931 563707742 /nfs/dbraw/zinc/70/77/42/563707742.db2.gz KXCMKWOQLVKZIQ-UHFFFAOYSA-N -1 3 390.281 2.898 20 10 GFCDHM CS(=O)(=O)CC[C@@H]1CCCCN1Cc1cc(Br)ccc1[O-] ZINC000366535082 563813040 /nfs/dbraw/zinc/81/30/40/563813040.db2.gz NBTZNZWWEDURPZ-AWEZNQCLSA-N -1 3 376.316 2.944 20 10 GFCDHM Cc1cc(-c2nc(Cn3cccn3)no2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737221508 598891151 /nfs/dbraw/zinc/89/11/51/598891151.db2.gz LKPXKYWPAFXATQ-UHFFFAOYSA-N -1 3 387.407 2.569 20 10 GFCDHM Cc1cc(C(=O)N2[C@@H](C)COC[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234616 598953462 /nfs/dbraw/zinc/95/34/62/598953462.db2.gz OARBFRZJCMFPMW-KBPBESRZSA-N -1 3 380.452 2.524 20 10 GFCDHM Cc1cc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235037 599099888 /nfs/dbraw/zinc/09/98/88/599099888.db2.gz QFSCHFVSOBKWCU-CRAIPNDOSA-N -1 3 394.479 2.555 20 10 GFCDHM Cc1cc(C(=O)N2CCCOC(C)(C)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737234681 599229745 /nfs/dbraw/zinc/22/97/45/599229745.db2.gz PIXMHKGCZAOXRG-UHFFFAOYSA-N -1 3 394.479 2.915 20 10 GFCDHM CN(C(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731488 598281604 /nfs/dbraw/zinc/28/16/04/598281604.db2.gz DZSSIJURADWULR-VQHVLOKHSA-N -1 3 375.367 2.625 20 10 GFCDHM CN(C(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731488 598281605 /nfs/dbraw/zinc/28/16/05/598281605.db2.gz DZSSIJURADWULR-VQHVLOKHSA-N -1 3 375.367 2.625 20 10 GFCDHM COc1ccc(N2CCC(Nc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])CC2)cc1 ZINC000737100006 598352870 /nfs/dbraw/zinc/35/28/70/598352870.db2.gz SJTLAPPYLPSNHA-UHFFFAOYSA-N -1 3 395.423 2.864 20 10 GFCDHM COc1ccc(N2CCC(Nc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])CC2)cc1 ZINC000737100006 598352871 /nfs/dbraw/zinc/35/28/71/598352871.db2.gz SJTLAPPYLPSNHA-UHFFFAOYSA-N -1 3 395.423 2.864 20 10 GFCDHM CCc1noc(COC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000736713486 598623119 /nfs/dbraw/zinc/62/31/19/598623119.db2.gz PMWRQRIQEHQXGB-UHFFFAOYSA-N -1 3 393.407 2.577 20 10 GFCDHM CCC[C@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821007964 599497104 /nfs/dbraw/zinc/49/71/04/599497104.db2.gz FPKCLHJSGXOKQZ-FQEVSTJZSA-N -1 3 382.468 2.555 20 10 GFCDHM COc1ccc(N(C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1OC ZINC000821827671 599568637 /nfs/dbraw/zinc/56/86/37/599568637.db2.gz HXGHHYQHUDODIN-UHFFFAOYSA-N -1 3 393.407 2.570 20 10 GFCDHM COc1ccc(N(C)Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1OC ZINC000821827671 599568640 /nfs/dbraw/zinc/56/86/40/599568640.db2.gz HXGHHYQHUDODIN-UHFFFAOYSA-N -1 3 393.407 2.570 20 10 GFCDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NCc1c(O)ccc2c1CCCC2 ZINC000823249854 599675395 /nfs/dbraw/zinc/67/53/95/599675395.db2.gz MKAVUERDCJTVGT-UHFFFAOYSA-N -1 3 396.426 2.590 20 10 GFCDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NCc1c(O)ccc2c1CCCC2 ZINC000823249854 599675396 /nfs/dbraw/zinc/67/53/96/599675396.db2.gz MKAVUERDCJTVGT-UHFFFAOYSA-N -1 3 396.426 2.590 20 10 GFCDHM Cc1cc(CN2CCN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)no1 ZINC000738385479 600424202 /nfs/dbraw/zinc/42/42/02/600424202.db2.gz PUWKATPHLAGPHX-UHFFFAOYSA-N -1 3 381.432 2.858 20 10 GFCDHM COc1ccc(O)c(CN2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])c1 ZINC000833733502 605230480 /nfs/dbraw/zinc/23/04/80/605230480.db2.gz IXXSHIYOPSCYCG-KRWDZBQOSA-N -1 3 387.432 2.992 20 10 GFCDHM COc1ccc(N(C)Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(OC)c1 ZINC000826208824 607753945 /nfs/dbraw/zinc/75/39/45/607753945.db2.gz BKYVYECMZCKZHV-UHFFFAOYSA-N -1 3 393.407 2.570 20 10 GFCDHM COc1ccc(N(C)Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(OC)c1 ZINC000826208824 607753946 /nfs/dbraw/zinc/75/39/46/607753946.db2.gz BKYVYECMZCKZHV-UHFFFAOYSA-N -1 3 393.407 2.570 20 10 GFCDHM CCn1cc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)cn1 ZINC000821565555 606393747 /nfs/dbraw/zinc/39/37/47/606393747.db2.gz YOBLGOOOSIGKTP-WZUFQYTHSA-N -1 3 389.491 2.550 20 10 GFCDHM O=S(=O)([N-][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cscn1 ZINC000827222796 660485016 /nfs/dbraw/zinc/48/50/16/660485016.db2.gz SBJWHMAMODQGIK-LLVKDONJSA-N -1 3 389.449 2.692 20 10 GFCDHM CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093962591 655025471 /nfs/dbraw/zinc/02/54/71/655025471.db2.gz IWLCCFYFPXRDJX-CQSZACIVSA-N -1 3 380.491 2.975 20 10 GFCDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(Cl)cc1F ZINC000758168647 655925205 /nfs/dbraw/zinc/92/52/05/655925205.db2.gz DYLXZXZOCURFAM-UHFFFAOYSA-N -1 3 377.752 2.911 20 10 GFCDHM O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC1CCN([C@H]2CCOC2)CC1 ZINC000852639370 661869363 /nfs/dbraw/zinc/86/93/63/661869363.db2.gz VGSYIONAQHMVAR-AWEZNQCLSA-N -1 3 388.295 2.752 20 10 GFCDHM O=C(CN(Cc1c([O-])cccc1Br)C[C@@H]1CCCO1)N1CCCC1 ZINC000862248554 662277091 /nfs/dbraw/zinc/27/70/91/662277091.db2.gz MNOQCLQQZNKICN-AWEZNQCLSA-N -1 3 397.313 2.758 20 10 GFCDHM C[C@@H](NCc1nc2c(c(=O)[nH]1)COCC2)c1cc(Br)cc(F)c1[O-] ZINC000866629615 662485093 /nfs/dbraw/zinc/48/50/93/662485093.db2.gz PPYTYPNVAKCGIR-MRVPVSSYSA-N -1 3 398.232 2.713 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1(COC)CCOCC1 ZINC000290476235 563710935 /nfs/dbraw/zinc/71/09/35/563710935.db2.gz ZJKZLLSVNIINHY-UHFFFAOYSA-N -1 3 386.286 2.946 20 10 GFCDHM Cc1cc(Br)cc(CN2CCN(C(=O)c3cccnc3)CC2)c1[O-] ZINC000123275040 551304614 /nfs/dbraw/zinc/30/46/14/551304614.db2.gz IZBNENGALAVZSE-UHFFFAOYSA-N -1 3 390.281 2.816 20 10 GFCDHM O=C(COCC(F)(F)F)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158084623 551546600 /nfs/dbraw/zinc/54/66/00/551546600.db2.gz QFJZZDIBCCOKCS-ZDUSSCGKSA-N -1 3 380.794 2.705 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCCC(=O)NC1CC1 ZINC000173975223 552096413 /nfs/dbraw/zinc/09/64/13/552096413.db2.gz BUULWNXCJCEZSD-UHFFFAOYSA-N -1 3 398.301 2.745 20 10 GFCDHM COc1cc(Br)cc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1[O-] ZINC000370712476 563253175 /nfs/dbraw/zinc/25/31/75/563253175.db2.gz VSHXYWITPCARJD-YVEFUNNKSA-N -1 3 386.286 2.933 20 10 GFCDHM C[C@H](N[C@H]1CCCNC1=O)c1cc(Br)cc(Br)c1[O-] ZINC000296254809 563281227 /nfs/dbraw/zinc/28/12/27/563281227.db2.gz DBFMKRIAXPGXLN-CPCISQLKSA-N -1 3 392.091 2.846 20 10 GFCDHM COc1cc(Br)cc(CN2CCN(c3nccnc3C)CC2)c1[O-] ZINC000374219706 563365347 /nfs/dbraw/zinc/36/53/47/563365347.db2.gz YIYVCQAXBAMLOP-UHFFFAOYSA-N -1 3 393.285 2.584 20 10 GFCDHM CCOc1ccc(OCC)c(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736651889 598378446 /nfs/dbraw/zinc/37/84/46/598378446.db2.gz RLHVEKZHUCTOQJ-UHFFFAOYSA-N -1 3 399.480 2.978 20 10 GFCDHM CCOc1ccc(OCC)c(NC(=S)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736651889 598378448 /nfs/dbraw/zinc/37/84/48/598378448.db2.gz RLHVEKZHUCTOQJ-UHFFFAOYSA-N -1 3 399.480 2.978 20 10 GFCDHM COc1ccc(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737102811 598378637 /nfs/dbraw/zinc/37/86/37/598378637.db2.gz CZVBXYXTKIOINL-UHFFFAOYSA-N -1 3 375.845 2.842 20 10 GFCDHM COc1ccc(NC(=S)NNc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737102811 598378639 /nfs/dbraw/zinc/37/86/39/598378639.db2.gz CZVBXYXTKIOINL-UHFFFAOYSA-N -1 3 375.845 2.842 20 10 GFCDHM COc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)cc3)SC2=S)cn1 ZINC000737098414 598408431 /nfs/dbraw/zinc/40/84/31/598408431.db2.gz CSKGMSUWZSKEDC-MDWZMJQESA-N -1 3 396.457 2.676 20 10 GFCDHM COc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)cc3)SC2=S)cn1 ZINC000737098414 598408432 /nfs/dbraw/zinc/40/84/32/598408432.db2.gz CSKGMSUWZSKEDC-MDWZMJQESA-N -1 3 396.457 2.676 20 10 GFCDHM Cc1cc(C(=O)NC[C@H]2CCCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233372 598612056 /nfs/dbraw/zinc/61/20/56/598612056.db2.gz BUGYENCETGBENS-QGZVFWFLSA-N -1 3 380.452 2.573 20 10 GFCDHM C[C@@H]1CN(c2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cc2F)C[C@H](C)O1 ZINC000820767085 599408436 /nfs/dbraw/zinc/40/84/36/599408436.db2.gz FWUYNAXARIXUEK-BETUJISGSA-N -1 3 386.431 2.502 20 10 GFCDHM C[C@@H]1CN(c2ccc(CNc3ccc(-c4nnn[n-]4)nc3)cc2F)C[C@H](C)O1 ZINC000820777124 606049838 /nfs/dbraw/zinc/04/98/38/606049838.db2.gz PKFHCYJBLYZRBW-BETUJISGSA-N -1 3 383.431 2.627 20 10 GFCDHM C[C@@H]1CN(c2ccc(CNc3ccc(-c4nn[n-]n4)nc3)cc2F)C[C@H](C)O1 ZINC000820777124 606049845 /nfs/dbraw/zinc/04/98/45/606049845.db2.gz PKFHCYJBLYZRBW-BETUJISGSA-N -1 3 383.431 2.627 20 10 GFCDHM Cc1cc(COC(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)nn1C ZINC000822201222 607155261 /nfs/dbraw/zinc/15/52/61/607155261.db2.gz WPUXSFIQFHNGQL-UHFFFAOYSA-N -1 3 391.435 2.673 20 10 GFCDHM c1cc(N2CCOCC2)ccc1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826517026 608278023 /nfs/dbraw/zinc/27/80/23/608278023.db2.gz MOKBQFRJOWPTCO-UHFFFAOYSA-N -1 3 391.479 2.589 20 10 GFCDHM c1cc(N2CCOCC2)ccc1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826517026 608278025 /nfs/dbraw/zinc/27/80/25/608278025.db2.gz MOKBQFRJOWPTCO-UHFFFAOYSA-N -1 3 391.479 2.589 20 10 GFCDHM [O-]c1cc(Br)ccc1CN1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000824658421 660398739 /nfs/dbraw/zinc/39/87/39/660398739.db2.gz ZNHICIKWAQBKCM-CQSZACIVSA-N -1 3 380.242 2.989 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3c2cccc3Cl)c1 ZINC000055713771 654780461 /nfs/dbraw/zinc/78/04/61/654780461.db2.gz CWHLDRLGWMUNJG-HNNXBMFYSA-N -1 3 380.853 2.834 20 10 GFCDHM O=C(c1ccncc1)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000128847992 654852822 /nfs/dbraw/zinc/85/28/22/654852822.db2.gz LRZOKISNHRCLFK-UHFFFAOYSA-N -1 3 390.281 2.898 20 10 GFCDHM COCCN(Cc1cc(C)cc(Br)c1[O-])C[C@@H](O)C(F)(F)F ZINC000848922500 661688781 /nfs/dbraw/zinc/68/87/81/661688781.db2.gz VCYHZILCXSQKOB-GFCCVEGCSA-N -1 3 386.208 2.835 20 10 GFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000854580237 661941447 /nfs/dbraw/zinc/94/14/47/661941447.db2.gz SFYXFMNTXIINMJ-NSHDSACASA-N -1 3 379.210 2.549 20 10 GFCDHM O=S1(=O)Cc2ccccc2[C@@H](NCc2cccc(Br)c2[O-])C1 ZINC000857060705 662062040 /nfs/dbraw/zinc/06/20/40/662062040.db2.gz FCKPLGIHINPEHC-HNNXBMFYSA-N -1 3 382.279 2.914 20 10 GFCDHM CCOc1ccc(N2CCN(Cc3c([O-])cccc3Br)CC2)nn1 ZINC000862418310 662286878 /nfs/dbraw/zinc/28/68/78/662286878.db2.gz MSVUWYITVFCAQI-UHFFFAOYSA-N -1 3 393.285 2.666 20 10 GFCDHM C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Br)c(F)cc1[O-] ZINC000903394978 663783554 /nfs/dbraw/zinc/78/35/54/663783554.db2.gz GDTOPVPXLINUSC-UWVGGRQHSA-N -1 3 397.248 2.719 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC000283369741 563443041 /nfs/dbraw/zinc/44/30/41/563443041.db2.gz JKGTWVAKOJTCQS-CYBMUJFWSA-N -1 3 386.290 2.586 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C[C@H]1CCCS(=O)(=O)C1 ZINC000283911789 563459016 /nfs/dbraw/zinc/45/90/16/563459016.db2.gz BTXKIPHOUUQSRW-GFCCVEGCSA-N -1 3 376.316 2.801 20 10 GFCDHM C[C@H](NCc1cnnn1C)c1cc(Br)cc(Br)c1[O-] ZINC000287481608 563603816 /nfs/dbraw/zinc/60/38/16/563603816.db2.gz XBYRUKADGLNXCM-ZETCQYMHSA-N -1 3 390.079 2.897 20 10 GFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000290316222 563704856 /nfs/dbraw/zinc/70/48/56/563704856.db2.gz KKOMQYQPAKKVJO-DUVNUKRYSA-N -1 3 384.270 2.555 20 10 GFCDHM C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119834 599012235 /nfs/dbraw/zinc/01/22/35/599012235.db2.gz UZRDJWUVJDBJAN-OAHLLOKOSA-N -1 3 389.463 2.803 20 10 GFCDHM C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119834 599012238 /nfs/dbraw/zinc/01/22/38/599012238.db2.gz UZRDJWUVJDBJAN-OAHLLOKOSA-N -1 3 389.463 2.803 20 10 GFCDHM Cc1cc(C(=O)NC[C@@H]2CCC[C@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235045 599100058 /nfs/dbraw/zinc/10/00/58/599100058.db2.gz QFSCHFVSOBKWCU-QAPCUYQASA-N -1 3 394.479 2.555 20 10 GFCDHM COc1ccc(C=C2SC(=S)N(c3cccnc3)C2=O)cc1-c1nnn[n-]1 ZINC000737084442 599154148 /nfs/dbraw/zinc/15/41/48/599154148.db2.gz UDIVABCDACXMEE-ZSOIEALJSA-N -1 3 396.457 2.676 20 10 GFCDHM COc1ccc(C=C2SC(=S)N(c3cccnc3)C2=O)cc1-c1nn[n-]n1 ZINC000737084442 599154150 /nfs/dbraw/zinc/15/41/50/599154150.db2.gz UDIVABCDACXMEE-ZSOIEALJSA-N -1 3 396.457 2.676 20 10 GFCDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)SC(=S)N1CCc1ccccn1 ZINC000738290107 598302774 /nfs/dbraw/zinc/30/27/74/598302774.db2.gz MWWIXKSIGMXTBF-PTNGSMBKSA-N -1 3 394.485 2.706 20 10 GFCDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)SC(=S)N1CCc1ccccn1 ZINC000738290107 598302776 /nfs/dbraw/zinc/30/27/76/598302776.db2.gz MWWIXKSIGMXTBF-PTNGSMBKSA-N -1 3 394.485 2.706 20 10 GFCDHM CCOCCN(CC)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736618175 598465893 /nfs/dbraw/zinc/46/58/93/598465893.db2.gz INXOSULHICUIFU-UHFFFAOYSA-N -1 3 382.468 2.773 20 10 GFCDHM O=C(NCc1ccccc1O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738122994 598556443 /nfs/dbraw/zinc/55/64/43/598556443.db2.gz CFRSBSNPJKGYSI-UHFFFAOYSA-N -1 3 391.387 2.674 20 10 GFCDHM CCN(CC)c1ccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736533298 598556563 /nfs/dbraw/zinc/55/65/63/598556563.db2.gz XWMWSXXDAPYARG-UHFFFAOYSA-N -1 3 397.458 2.580 20 10 GFCDHM CN(Cc1c(O)c(C(=O)[O-])cc2ccccc21)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737454194 600498179 /nfs/dbraw/zinc/49/81/79/600498179.db2.gz CUCZJEPLRCJSGF-OAHLLOKOSA-N -1 3 396.365 2.839 20 10 GFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821220897 606573905 /nfs/dbraw/zinc/57/39/05/606573905.db2.gz FOKZQTNYDNAKOP-OAHLLOKOSA-N -1 3 394.479 2.749 20 10 GFCDHM Cc1cc(C(=O)NC[C@]2(C)CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176961 606691395 /nfs/dbraw/zinc/69/13/95/606691395.db2.gz QRQJGBIILLZDAV-FQEVSTJZSA-N -1 3 380.452 2.573 20 10 GFCDHM COCCN(Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(OC)c(OC)c1 ZINC000821690792 606976925 /nfs/dbraw/zinc/97/69/25/606976925.db2.gz ZXBCPOZSHSLIOT-UHFFFAOYSA-N -1 3 387.415 2.676 20 10 GFCDHM COCCN(Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(OC)c(OC)c1 ZINC000821690792 606976926 /nfs/dbraw/zinc/97/69/26/606976926.db2.gz ZXBCPOZSHSLIOT-UHFFFAOYSA-N -1 3 387.415 2.676 20 10 GFCDHM Cc1cc(C(=O)N2CC3(CC(F)C3)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257999 607807179 /nfs/dbraw/zinc/80/71/79/607807179.db2.gz WIIJEYGHLZMTNU-UHFFFAOYSA-N -1 3 380.427 2.848 20 10 GFCDHM CCOc1ccc(O)c(CNc2cc(-c3nn[n-]n3)ccc2OCCOC)c1 ZINC000825643098 608136259 /nfs/dbraw/zinc/13/62/59/608136259.db2.gz IRGIYIBGPOIQGU-UHFFFAOYSA-N -1 3 385.424 2.608 20 10 GFCDHM COc1cccc(CNc2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)c1O ZINC000826216036 608377696 /nfs/dbraw/zinc/37/76/96/608377696.db2.gz HRJLRZFIZDYVJA-UHFFFAOYSA-N -1 3 380.383 2.611 20 10 GFCDHM COc1cccc(CNc2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)c1O ZINC000826216036 608377698 /nfs/dbraw/zinc/37/76/98/608377698.db2.gz HRJLRZFIZDYVJA-UHFFFAOYSA-N -1 3 380.383 2.611 20 10 GFCDHM [O-]c1c(Cl)cccc1CN1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826510652 608582972 /nfs/dbraw/zinc/58/29/72/608582972.db2.gz CTVNGTGTIPQUTR-UHFFFAOYSA-N -1 3 388.834 2.687 20 10 GFCDHM C[C@H]1CN(c2ccc(CNc3cnccc3-c3nnn[n-]3)cc2F)C[C@H](C)O1 ZINC000824991852 608774628 /nfs/dbraw/zinc/77/46/28/608774628.db2.gz HQLGTXFXGSDFRP-STQMWFEESA-N -1 3 383.431 2.627 20 10 GFCDHM C[C@H]1CN(c2ccc(CNc3cnccc3-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000824991852 608774631 /nfs/dbraw/zinc/77/46/31/608774631.db2.gz HQLGTXFXGSDFRP-STQMWFEESA-N -1 3 383.431 2.627 20 10 GFCDHM Cc1cc(C(=O)N[C@H](C)[C@H]2CCCOC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258221 609174134 /nfs/dbraw/zinc/17/41/34/609174134.db2.gz DTJGEHANVSVWQL-PBHICJAKSA-N -1 3 394.479 2.819 20 10 GFCDHM CN(Cc1ccc(-c2nnn[n-]2)cc1Br)c1ccc2c(c1)OCO2 ZINC000825961206 609367432 /nfs/dbraw/zinc/36/74/32/609367432.db2.gz CJHTVBNLQKBHMZ-UHFFFAOYSA-N -1 3 388.225 2.994 20 10 GFCDHM CN(Cc1ccc(-c2nn[n-]n2)cc1Br)c1ccc2c(c1)OCO2 ZINC000825961206 609367433 /nfs/dbraw/zinc/36/74/33/609367433.db2.gz CJHTVBNLQKBHMZ-UHFFFAOYSA-N -1 3 388.225 2.994 20 10 GFCDHM COc1ccc(NC(=S)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826209764 660451482 /nfs/dbraw/zinc/45/14/82/660451482.db2.gz PJBNJAIRLLSBAU-UHFFFAOYSA-N -1 3 375.845 2.842 20 10 GFCDHM COc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826209764 660451483 /nfs/dbraw/zinc/45/14/83/660451483.db2.gz PJBNJAIRLLSBAU-UHFFFAOYSA-N -1 3 375.845 2.842 20 10 GFCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(c3cccc(Cl)c3)CC2)c1 ZINC000091732934 655009532 /nfs/dbraw/zinc/00/95/32/655009532.db2.gz FQPYDOYMLLHYAK-UHFFFAOYSA-N -1 3 380.853 2.836 20 10 GFCDHM COc1ccnc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)c1 ZINC000093078827 655017273 /nfs/dbraw/zinc/01/72/73/655017273.db2.gz HQHWLYKHYQTODK-UHFFFAOYSA-N -1 3 378.270 2.881 20 10 GFCDHM C[C@H]1CS(=O)(=O)CCN1Cc1c([O-])ccc2cc(Br)ccc21 ZINC000172610509 655159105 /nfs/dbraw/zinc/15/91/05/655159105.db2.gz GQFIDHUVOPYHSR-NSHDSACASA-N -1 3 384.295 2.927 20 10 GFCDHM COc1c(F)cc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1O ZINC000751151033 655822203 /nfs/dbraw/zinc/82/22/03/655822203.db2.gz OVXBIRGJDAKGKU-UHFFFAOYSA-N -1 3 390.230 2.781 20 10 GFCDHM Cn1cnc(CNCc2cc(Br)cc(Br)c2[O-])c1 ZINC000898045459 663631280 /nfs/dbraw/zinc/63/12/80/663631280.db2.gz OMYBYEQSAQIQSX-UHFFFAOYSA-N -1 3 375.064 2.941 20 10 GFCDHM C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Br)cc(F)c1[O-] ZINC000903395691 663783759 /nfs/dbraw/zinc/78/37/59/663783759.db2.gz JFDOXLZCSZMXBH-GXSJLCMTSA-N -1 3 397.248 2.719 20 10 GFCDHM C[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)c2ccsc2S1(=O)=O ZINC000922545708 664606614 /nfs/dbraw/zinc/60/66/14/664606614.db2.gz GHLQPXFEASWUDA-ZANVPECISA-N -1 3 384.454 2.699 20 10 GFCDHM