smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCn1nc(C)c(S(=O)(=O)NNc2nncc(N)c2Cl)c1C ZINC001118124091 847290197 /nfs/dbraw/zinc/29/01/97/847290197.db2.gz YFCSJXZWNIELRL-UHFFFAOYSA-N 0 2 361.815 0.435 10 0 FCAELN C[C@H]1CN(c2nnc(-c3n[nH]c(Cl)n3)n2C[C@@H]2CCOC2)CCO1 ZINC001123235349 848580294 /nfs/dbraw/zinc/58/02/94/848580294.db2.gz GJXPZEWVYDBEFG-UWVGGRQHSA-N 0 2 353.814 0.978 10 0 FCAELN CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)C[C@@H]1SC(=N)NC1=O ZINC001136812598 849242839 /nfs/dbraw/zinc/24/28/39/849242839.db2.gz JCXIWYLVQOSDTI-MNOVXSKESA-N 0 2 359.448 0.607 10 0 FCAELN CS(=O)(=O)NCCc1ccc(C(=O)NCCc2n[nH]c(=S)o2)cc1 ZINC001138520237 849313202 /nfs/dbraw/zinc/31/32/02/849313202.db2.gz XYWUDPIGNFSZMK-UHFFFAOYSA-N 0 2 370.456 0.423 10 0 FCAELN Cc1csc(CC2(O)CCN(C(=O)C[C@H]3SC(=N)NC3=O)CC2)n1 ZINC001147012529 849572652 /nfs/dbraw/zinc/57/26/52/849572652.db2.gz VKOMWXSEUQFZHZ-SNVBAGLBSA-N 0 2 368.484 0.904 10 0 FCAELN C[C@H](NC(=O)Cc1ccccc1NS(C)(=O)=O)c1nn(C)cc1O ZINC001179921100 851004872 /nfs/dbraw/zinc/00/48/72/851004872.db2.gz NUESNCYWPYPAMS-JTQLQIEISA-N 0 2 352.416 0.917 10 0 FCAELN Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)CSc2n[nH]c(=O)[n-]2)cc[nH+]1 ZINC001181130752 851091943 /nfs/dbraw/zinc/09/19/43/851091943.db2.gz OJECZTCMJAYNER-VHSXEESVSA-N 0 2 365.419 0.087 10 0 FCAELN CS(=O)(=O)Cc1nnc(CNC(=O)N2CCC[C@]3(CCSC3)C2)[nH]1 ZINC001251263444 857712257 /nfs/dbraw/zinc/71/22/57/857712257.db2.gz YELNLVPZQCVRGM-AWEZNQCLSA-N 0 2 373.504 0.778 10 0 FCAELN CN(CCOc1ccccc1)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001251263357 857713208 /nfs/dbraw/zinc/71/32/08/857713208.db2.gz VDNDTWJAMQGEHX-UHFFFAOYSA-N 0 2 367.431 0.570 10 0 FCAELN COC1(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)CS(=O)(=O)C1 ZINC001264362912 859351598 /nfs/dbraw/zinc/35/15/98/859351598.db2.gz GUEFXTDJOHBEDQ-UHFFFAOYSA-N 0 2 357.413 0.169 10 0 FCAELN NC(=O)CCCC(=O)N1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)[C@@H]2C1 ZINC001281615372 863539513 /nfs/dbraw/zinc/53/95/13/863539513.db2.gz ANQOTNZQHBAZTE-YGOYTEALSA-N 0 2 353.316 0.602 10 0 FCAELN NC(=O)CCCC(=O)N1C[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)[C@@H]2C1 ZINC001281615372 863539524 /nfs/dbraw/zinc/53/95/24/863539524.db2.gz ANQOTNZQHBAZTE-YGOYTEALSA-N 0 2 353.316 0.602 10 0 FCAELN CCc1noc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001281678385 863614736 /nfs/dbraw/zinc/61/47/36/863614736.db2.gz HERNDKOPOJTKSR-KKZNHRDASA-N 0 2 367.299 0.747 10 0 FCAELN CCc1noc(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001281678385 863614738 /nfs/dbraw/zinc/61/47/38/863614738.db2.gz HERNDKOPOJTKSR-KKZNHRDASA-N 0 2 367.299 0.747 10 0 FCAELN CCn1cc(C(=O)N2C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C2)nn1 ZINC001281837068 863801814 /nfs/dbraw/zinc/80/18/14/863801814.db2.gz BVVDUEINZIMEOO-SZEHBUNVSA-N 0 2 367.303 0.154 10 0 FCAELN CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)[C@H](OC)C2)nn1 ZINC001281837068 863801822 /nfs/dbraw/zinc/80/18/22/863801822.db2.gz BVVDUEINZIMEOO-SZEHBUNVSA-N 0 2 367.303 0.154 10 0 FCAELN CCn1cc(C(=O)N2C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C2)c(C)n1 ZINC001281898229 863908719 /nfs/dbraw/zinc/90/87/19/863908719.db2.gz YPYZZLRBLAKIGU-VWYCJHECSA-N 0 2 366.315 0.413 10 0 FCAELN CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@H](F)C(F)(F)F)[C@@H](O)C2)c(C)n1 ZINC001281898229 863908728 /nfs/dbraw/zinc/90/87/28/863908728.db2.gz YPYZZLRBLAKIGU-VWYCJHECSA-N 0 2 366.315 0.413 10 0 FCAELN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001282518149 864319351 /nfs/dbraw/zinc/31/93/51/864319351.db2.gz JDRFMFARXIYRCC-NWDGAFQWSA-N 0 2 351.451 0.636 10 0 FCAELN CCc1n[nH]cc1C(=O)N1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001289494510 865096782 /nfs/dbraw/zinc/09/67/82/865096782.db2.gz CQGITRHANJMRGR-MXWKQRLJSA-N 0 2 366.315 0.828 10 0 FCAELN CCc1n[nH]cc1C(=O)N1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)[C@H](OC)C1 ZINC001289494510 865096790 /nfs/dbraw/zinc/09/67/90/865096790.db2.gz CQGITRHANJMRGR-MXWKQRLJSA-N 0 2 366.315 0.828 10 0 FCAELN CC1(C(=O)N2C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C2)CCOCC1 ZINC001289645517 865193107 /nfs/dbraw/zinc/19/31/07/865193107.db2.gz XKUSMBJFZLNWCN-UTLUCORTSA-N 0 2 356.316 0.391 10 0 FCAELN CC1(C(=O)N2C[C@@H](NC(=O)[C@H](F)C(F)(F)F)[C@@H](O)C2)CCOCC1 ZINC001289645517 865193111 /nfs/dbraw/zinc/19/31/11/865193111.db2.gz XKUSMBJFZLNWCN-UTLUCORTSA-N 0 2 356.316 0.391 10 0 FCAELN C[C@@H]1[C@@H](NC(=O)C(=O)NCC(F)F)CCN1C(=O)C(F)C(F)(F)F ZINC001290663445 865483317 /nfs/dbraw/zinc/48/33/17/865483317.db2.gz CGKULWGKYMQVAS-GKROBHDKSA-N 0 2 363.258 0.374 10 0 FCAELN C[C@@H]1[C@@H](NC(=O)C(=O)NCC(F)F)CCN1C(=O)[C@@H](F)C(F)(F)F ZINC001290663445 865483321 /nfs/dbraw/zinc/48/33/21/865483321.db2.gz CGKULWGKYMQVAS-GKROBHDKSA-N 0 2 363.258 0.374 10 0 FCAELN COC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@]2(C)C1 ZINC001290827425 865523646 /nfs/dbraw/zinc/52/36/46/865523646.db2.gz FKOFVFKDEBYVIW-DVYJOKAKSA-N 0 2 369.315 0.550 10 0 FCAELN COC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@]2(C)C1 ZINC001290827425 865523653 /nfs/dbraw/zinc/52/36/53/865523653.db2.gz FKOFVFKDEBYVIW-DVYJOKAKSA-N 0 2 369.315 0.550 10 0 FCAELN C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1CNC(=O)Cn1cncn1 ZINC001290998899 865582386 /nfs/dbraw/zinc/58/23/86/865582386.db2.gz DFXYRIHYXZILKJ-FXPVBKGRSA-N 0 2 351.304 0.389 10 0 FCAELN C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1CNC(=O)Cn1cncn1 ZINC001290998899 865582393 /nfs/dbraw/zinc/58/23/93/865582393.db2.gz DFXYRIHYXZILKJ-FXPVBKGRSA-N 0 2 351.304 0.389 10 0 FCAELN C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1CCNC(=O)CCNC(N)=O ZINC001291609536 865603685 /nfs/dbraw/zinc/60/36/85/865603685.db2.gz MCMQGRNIJRHQQU-FXPVBKGRSA-N 0 2 370.347 0.546 10 0 FCAELN C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1CCNC(=O)CCNC(N)=O ZINC001291609536 865603687 /nfs/dbraw/zinc/60/36/87/865603687.db2.gz MCMQGRNIJRHQQU-FXPVBKGRSA-N 0 2 370.347 0.546 10 0 FCAELN O=C(C[C@H]1CCCS1(=O)=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC001302350219 866323774 /nfs/dbraw/zinc/32/37/74/866323774.db2.gz DDJMANMQKXMEOT-OLZOCXBDSA-N 0 2 364.427 0.878 10 0 FCAELN COCc1nnc(CNC(=O)C(=O)Nc2sccc2C(=O)OC)[nH]1 ZINC001350179080 866522631 /nfs/dbraw/zinc/52/26/31/866522631.db2.gz TVWJTRPGENVXLV-UHFFFAOYSA-N 0 2 353.360 0.054 10 0 FCAELN Clc1n[nH]c(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CC2CC2)n1 ZINC001351333591 866835573 /nfs/dbraw/zinc/83/55/73/866835573.db2.gz DQQLLBGMBQFIGY-LLVKDONJSA-N 0 2 364.841 0.647 10 0 FCAELN N=C1NC(=O)[C@H](CC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)S1 ZINC001318796018 867752665 /nfs/dbraw/zinc/75/26/65/867752665.db2.gz XSCMCSFDEHGZBE-QMMMGPOBSA-N 0 2 366.365 0.602 10 0 FCAELN CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1 ZINC001320446946 868170774 /nfs/dbraw/zinc/17/07/74/868170774.db2.gz RDYAYVOGBXWIKW-CQSZACIVSA-N 0 2 366.399 0.367 10 0 FCAELN CC(=O)N(C)c1ccc(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC001320446946 868170781 /nfs/dbraw/zinc/17/07/81/868170781.db2.gz RDYAYVOGBXWIKW-CQSZACIVSA-N 0 2 366.399 0.367 10 0 FCAELN CNC(=O)c1cc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)cn1C ZINC001320869420 868302176 /nfs/dbraw/zinc/30/21/76/868302176.db2.gz KLTIVECEHQOYRW-SNVBAGLBSA-N 0 2 355.376 0.420 10 0 FCAELN O=C(CCn1cccc1)N[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@@H]1O ZINC001343662178 870542272 /nfs/dbraw/zinc/54/22/72/870542272.db2.gz GAQIUUQWRJOLME-JFGNBEQYSA-N 0 2 351.300 0.467 10 0 FCAELN O=C(CCn1cccc1)N[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]1O ZINC001343662178 870542278 /nfs/dbraw/zinc/54/22/78/870542278.db2.gz GAQIUUQWRJOLME-JFGNBEQYSA-N 0 2 351.300 0.467 10 0 FCAELN CO[C@@H](CS(=O)(=O)Nc1ccc(C(=O)N(C)C)cn1)[C@@H]1CCOC1 ZINC001327385527 870832077 /nfs/dbraw/zinc/83/20/77/870832077.db2.gz DFKDHJZMGXOGPD-OLZOCXBDSA-N 0 2 357.432 0.577 10 0 FCAELN COCC(=O)N[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1cnn(C)c1 ZINC001344328901 870832147 /nfs/dbraw/zinc/83/21/47/870832147.db2.gz ATPYVOJQTYIWQV-UMNHJUIQSA-N 0 2 366.315 0.378 10 0 FCAELN COCC(=O)N[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1c1cnn(C)c1 ZINC001344328901 870832161 /nfs/dbraw/zinc/83/21/61/870832161.db2.gz ATPYVOJQTYIWQV-UMNHJUIQSA-N 0 2 366.315 0.378 10 0 FCAELN C[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)[C@@H]1CCCNC(=O)C(N)=O ZINC001344632847 870963510 /nfs/dbraw/zinc/96/35/10/870963510.db2.gz HGBXYFGIMMWOPJ-BBBLOLIVSA-N 0 2 355.332 0.896 10 0 FCAELN C[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)[C@@H]1CCCNC(=O)C(N)=O ZINC001344632847 870963513 /nfs/dbraw/zinc/96/35/13/870963513.db2.gz HGBXYFGIMMWOPJ-BBBLOLIVSA-N 0 2 355.332 0.896 10 0 FCAELN CCS(=O)(=O)Nc1cccc(C(=O)NCc2nnc(COC)[nH]2)c1 ZINC001328463733 871446957 /nfs/dbraw/zinc/44/69/57/871446957.db2.gz AAZLXCQONZBQGR-UHFFFAOYSA-N 0 2 353.404 0.643 10 0 FCAELN C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC001346114173 871651470 /nfs/dbraw/zinc/65/14/70/871651470.db2.gz VNZHZIDKHJBPFO-IUODEOHRSA-N 0 2 368.455 0.749 10 0 FCAELN C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C[C@H]1C(=O)[O-] ZINC001346114173 871651477 /nfs/dbraw/zinc/65/14/77/871651477.db2.gz VNZHZIDKHJBPFO-IUODEOHRSA-N 0 2 368.455 0.749 10 0 FCAELN C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001346118305 871654810 /nfs/dbraw/zinc/65/48/10/871654810.db2.gz WCGAQZHYAJGLIB-HLTSFMKQSA-N 0 2 353.316 0.363 10 0 FCAELN C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001346118305 871654816 /nfs/dbraw/zinc/65/48/16/871654816.db2.gz WCGAQZHYAJGLIB-HLTSFMKQSA-N 0 2 353.316 0.363 10 0 FCAELN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CCNC(=O)C(F)C(F)(F)F ZINC001346470651 871856434 /nfs/dbraw/zinc/85/64/34/871856434.db2.gz OZZWTSHWOFSFLT-HLTSFMKQSA-N 0 2 366.319 0.325 10 0 FCAELN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1CCNC(=O)[C@H](F)C(F)(F)F ZINC001346470651 871856454 /nfs/dbraw/zinc/85/64/54/871856454.db2.gz OZZWTSHWOFSFLT-HLTSFMKQSA-N 0 2 366.319 0.325 10 0 FCAELN C[C@H](NC(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC001346766284 871988901 /nfs/dbraw/zinc/98/89/01/871988901.db2.gz GGETZONKEKARLB-RRFJBIMHSA-N 0 2 354.499 0.018 10 0 FCAELN CC[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CCN1CC(F)F ZINC001346766342 871989504 /nfs/dbraw/zinc/98/95/04/871989504.db2.gz GYPWUBOBKOGKLE-RRFJBIMHSA-N 0 2 361.481 0.992 10 0 FCAELN CCOC(=O)c1ccsc1NC(=O)C(=O)NCc1nnc(COC)[nH]1 ZINC001346895729 872054081 /nfs/dbraw/zinc/05/40/81/872054081.db2.gz NXPZLFCJAYFOAZ-UHFFFAOYSA-N 0 2 367.387 0.444 10 0 FCAELN CCc1cc(=O)n2[nH]c(NS(=O)(=O)c3c(C)nn(C)c3Cl)nc2n1 ZINC001346917517 872062502 /nfs/dbraw/zinc/06/25/02/872062502.db2.gz NWMPWSMHHZXRAE-UHFFFAOYSA-N 0 2 371.810 0.476 10 0 FCAELN O=C(NCCN1C(=O)CNC1=O)c1cc(Br)c(F)cc1O ZINC000294949351 214272154 /nfs/dbraw/zinc/27/21/54/214272154.db2.gz NTYICAADPDIKII-UHFFFAOYSA-N 0 2 360.139 0.575 10 0 FCAELN C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCOC[C@H](O)C1 ZINC000295085645 214277764 /nfs/dbraw/zinc/27/77/64/214277764.db2.gz BMRKZSAGJRRSFO-QFBILLFUSA-N 0 2 361.486 0.849 10 0 FCAELN C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCOC[C@@H](O)C1 ZINC000295085644 214277818 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RPOWOFZXLYQZLF-VIFPVBQESA-N 0 2 370.330 0.468 10 0 FCAELN CS(=O)(=O)CC1(CCNC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)CC1 ZINC000617186594 492159322 /nfs/dbraw/zinc/15/93/22/492159322.db2.gz AVIDBHOVOZRJDA-UHFFFAOYSA-N 0 2 365.411 0.975 10 0 FCAELN O=C(NC[C@@]1(OCCO)CCOC1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000617710668 492181750 /nfs/dbraw/zinc/18/17/50/492181750.db2.gz RERKAKRLCWXPEE-KRWDZBQOSA-N 0 2 365.361 0.615 10 0 FCAELN Cn1[n-]c(C(=O)NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)cc1=O ZINC000619941115 492283680 /nfs/dbraw/zinc/28/36/80/492283680.db2.gz JEFJRWJLALLHHX-SFHVURJKSA-N 0 2 360.414 0.119 10 0 FCAELN Cn1[n-]c(C(=O)NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)cc1=O ZINC000619941115 492283683 /nfs/dbraw/zinc/28/36/83/492283683.db2.gz JEFJRWJLALLHHX-SFHVURJKSA-N 0 2 360.414 0.119 10 0 FCAELN C[C@H](O)[C@@H]1CCN(c2cc(NCC3(C(=O)[O-])CCOCC3)[nH+]cn2)C1 ZINC000647458177 492292556 /nfs/dbraw/zinc/29/25/56/492292556.db2.gz WRYHTPLEYFIYTL-QWHCGFSZSA-N 0 2 350.419 0.977 10 0 FCAELN C[C@H](O)[C@@H]1CCN(c2cc(NCC3(C(=O)[O-])CCOCC3)nc[nH+]2)C1 ZINC000647458177 492292557 /nfs/dbraw/zinc/29/25/57/492292557.db2.gz WRYHTPLEYFIYTL-QWHCGFSZSA-N 0 2 350.419 0.977 10 0 FCAELN CC1(C(=O)[O-])CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000647586270 492326735 /nfs/dbraw/zinc/32/67/35/492326735.db2.gz VWILKCFUGHNDLL-CYBMUJFWSA-N 0 2 360.414 0.490 10 0 FCAELN Cc1cccc2[nH+]c(CCNC(=O)C(=O)N3CC[C@H](C)[C@H](C(=O)[O-])C3)cn21 ZINC000647593258 492330389 /nfs/dbraw/zinc/33/03/89/492330389.db2.gz HOLCZFSOGWTSKN-SWLSCSKDSA-N 0 2 372.425 0.871 10 0 FCAELN CCc1ncc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@H](c3c[nH+]cn3C)C2)s1 ZINC000647625459 492337421 /nfs/dbraw/zinc/33/74/21/492337421.db2.gz KVTWSFMKHIMYDA-UWVGGRQHSA-N 0 2 370.456 0.928 10 0 FCAELN COc1cccc(-c2nc(=NC(=O)C(=O)N3CC4(C3)CCCO4)s[nH]2)c1 ZINC000627834762 492397523 /nfs/dbraw/zinc/39/75/23/492397523.db2.gz HCRLKSILEBOWNI-UHFFFAOYSA-N 0 2 374.422 0.966 10 0 FCAELN O=C(c1cc(F)c(F)c(O)c1F)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000649039917 492486134 /nfs/dbraw/zinc/48/61/34/492486134.db2.gz ZNQQINJAIIMUCD-CQSZACIVSA-N 0 2 365.329 0.839 10 0 FCAELN C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655998869 492509667 /nfs/dbraw/zinc/50/96/67/492509667.db2.gz XZHIAPJKGAHEOG-SEBNEYGDSA-N 0 2 369.462 0.170 10 0 FCAELN C[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655998869 492509673 /nfs/dbraw/zinc/50/96/73/492509673.db2.gz XZHIAPJKGAHEOG-SEBNEYGDSA-N 0 2 369.462 0.170 10 0 FCAELN C[C@H](NC(=O)C(=O)N(C)CCCn1cc[nH+]c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656013556 492516251 /nfs/dbraw/zinc/51/62/51/492516251.db2.gz BBJOFFYGJJCWTD-MELADBBJSA-N 0 2 364.446 0.983 10 0 FCAELN CC(C)(C(=O)[O-])C(=O)NCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000649463060 492556232 /nfs/dbraw/zinc/55/62/32/492556232.db2.gz SIRZEMCPUZOPTA-UHFFFAOYSA-N 0 2 353.463 0.938 10 0 FCAELN CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656302976 492579140 /nfs/dbraw/zinc/57/91/40/492579140.db2.gz OBLMNYDSGSKOQZ-QXSJWSMHSA-N 0 2 356.511 0.447 10 0 FCAELN COc1cc(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cnc1OC ZINC000629315605 492608024 /nfs/dbraw/zinc/60/80/24/492608024.db2.gz HYFWDPQIQBOXGK-UHFFFAOYSA-N 0 2 368.415 0.940 10 0 FCAELN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000650387504 492636925 /nfs/dbraw/zinc/63/69/25/492636925.db2.gz NTDZQHXLIYZGGT-VIFPVBQESA-N 0 2 364.305 0.798 10 0 FCAELN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000650387504 492636927 /nfs/dbraw/zinc/63/69/27/492636927.db2.gz NTDZQHXLIYZGGT-VIFPVBQESA-N 0 2 364.305 0.798 10 0 FCAELN CN(C)S(=O)(=O)N1CC(NC(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000629531913 492639977 /nfs/dbraw/zinc/63/99/77/492639977.db2.gz DEZRWMHABGYIIL-UHFFFAOYSA-N 0 2 351.787 0.405 10 0 FCAELN CO[C@@H](CS(=O)(=O)Nc1ccc(-c2cnn(C)c2)nn1)[C@H]1CCOC1 ZINC000656733642 492647524 /nfs/dbraw/zinc/64/75/24/492647524.db2.gz LZHIIIVPNWIMBK-FZMZJTMJSA-N 0 2 367.431 0.670 10 0 FCAELN CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000629570197 492648725 /nfs/dbraw/zinc/64/87/25/492648725.db2.gz JHBIQARUIDHHNQ-VIFPVBQESA-N 0 2 366.798 0.575 10 0 FCAELN CC(C)n1cnc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)n1 ZINC000629628523 492660677 /nfs/dbraw/zinc/66/06/77/492660677.db2.gz JINAMEDAEPHUDB-GHMZBOCLSA-N 0 2 365.481 0.319 10 0 FCAELN CC(C)C[C@H](CNC(=O)C(=O)NCC[NH+]1Cc2ccccc2C1)C(=O)[O-] ZINC000644200996 492667066 /nfs/dbraw/zinc/66/70/66/492667066.db2.gz GKHLITWWLDSJDW-MRXNPFEDSA-N 0 2 361.442 0.982 10 0 FCAELN Cc1cc[nH+]cc1N1CCN(C(=O)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)CC1 ZINC000629776005 492667626 /nfs/dbraw/zinc/66/76/26/492667626.db2.gz VFYBEVWSIZOPLV-CABCVRRESA-N 0 2 374.441 0.608 10 0 FCAELN CNC(=O)c1ccc(=NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)[nH]n1 ZINC000650815088 492669725 /nfs/dbraw/zinc/66/97/25/492669725.db2.gz HQDCSTMMVPIAFL-UHFFFAOYSA-N 0 2 365.397 0.978 10 0 FCAELN CNC(=O)c1ccc(=NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)[nH]n1 ZINC000650816370 492670787 /nfs/dbraw/zinc/67/07/87/492670787.db2.gz TZGWISOLHVMWAB-HNNXBMFYSA-N 0 2 367.409 0.430 10 0 FCAELN CNC(=O)c1ccc(=NC(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)[nH]n1 ZINC000650817163 492671913 /nfs/dbraw/zinc/67/19/13/492671913.db2.gz UWPUGWNVCXTCQP-CPCZMJQVSA-N 0 2 359.430 0.624 10 0 FCAELN c1ccc(-n2[n-]nnc2=NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)cc1 ZINC000624705717 492673290 /nfs/dbraw/zinc/67/32/90/492673290.db2.gz HFATUFQIZDPICF-KRWDZBQOSA-N 0 2 351.414 0.792 10 0 FCAELN c1ccc(-n2[n-]nnc2=NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)cc1 ZINC000624705717 492673292 /nfs/dbraw/zinc/67/32/92/492673292.db2.gz HFATUFQIZDPICF-KRWDZBQOSA-N 0 2 351.414 0.792 10 0 FCAELN COCc1nnc(CNS(=O)(=O)c2cccc3c2OCCCO3)[nH]1 ZINC000657103332 492722269 /nfs/dbraw/zinc/72/22/69/492722269.db2.gz HJXSQECNDIPWIL-UHFFFAOYSA-N 0 2 354.388 0.591 10 0 FCAELN COCc1nnc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)[nH]1 ZINC000657105191 492722922 /nfs/dbraw/zinc/72/29/22/492722922.db2.gz ZXXIKEDWODRSBK-UHFFFAOYSA-N 0 2 365.415 0.659 10 0 FCAELN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630659848 492761399 /nfs/dbraw/zinc/76/13/99/492761399.db2.gz YJVVPGZKFIXNHS-JYJNAYRXSA-N 0 2 359.426 0.841 10 0 FCAELN CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630659848 492761400 /nfs/dbraw/zinc/76/14/00/492761400.db2.gz YJVVPGZKFIXNHS-JYJNAYRXSA-N 0 2 359.426 0.841 10 0 FCAELN CC(C)n1cnc(=NC(=O)C(=O)NCc2ccc(Cn3cccn3)cc2)[nH]1 ZINC000651505051 492769565 /nfs/dbraw/zinc/76/95/65/492769565.db2.gz PBMBSPYVYZMXMP-UHFFFAOYSA-N 0 2 367.413 0.781 10 0 FCAELN Cc1ccccc1N1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[nH]2)CC1 ZINC000651513337 492772044 /nfs/dbraw/zinc/77/20/44/492772044.db2.gz UIXVOPRBOVTRTG-UHFFFAOYSA-N 0 2 356.430 0.877 10 0 FCAELN CC(C)n1cnc(=NC(=O)C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)[nH]1 ZINC000651534715 492776035 /nfs/dbraw/zinc/77/60/35/492776035.db2.gz WCYYVHGAXNXISO-CQSZACIVSA-N 0 2 372.429 0.555 10 0 FCAELN COc1ccc(OC)c(CCNC(=O)C(=O)N=c2ncn(C(C)C)[nH]2)c1 ZINC000651533423 492776624 /nfs/dbraw/zinc/77/66/24/492776624.db2.gz ZGITWEZPEAGUHR-UHFFFAOYSA-N 0 2 361.402 0.596 10 0 FCAELN CC(C)n1cnc(=NC(=O)C(=O)N2CCO[C@H](Cc3ccccc3)C2)[nH]1 ZINC000651655087 492800914 /nfs/dbraw/zinc/80/09/14/492800914.db2.gz NAMQJFMSBNNJHS-OAHLLOKOSA-N 0 2 357.414 0.690 10 0 FCAELN CCO[C@@H]1C[C@H](NC(=O)C(=O)N=c2ncn(C(C)C)[nH]2)[C@]12CCCO2 ZINC000651664205 492803452 /nfs/dbraw/zinc/80/34/52/492803452.db2.gz HLHKTDREWGJIOQ-HWWQOWPSSA-N 0 2 351.407 0.062 10 0 FCAELN Cc1cccc(C)c1NC(=O)CN(C)C(=O)C(=O)N=c1ncn(C(C)C)[nH]1 ZINC000651689205 492807110 /nfs/dbraw/zinc/80/71/10/492807110.db2.gz LFFBRBHJEYACKE-UHFFFAOYSA-N 0 2 372.429 0.933 10 0 FCAELN CC(C)n1cnc(=NC(=O)C(=O)N2C[C@H](C)O[C@]3(CCCOC3)C2)[nH]1 ZINC000651767506 492819615 /nfs/dbraw/zinc/81/96/15/492819615.db2.gz ZPSNFXIIJWNZIX-BLLLJJGKSA-N 0 2 351.407 0.016 10 0 FCAELN CCNC(=O)C[C@@H]1CCCCN1C(=O)C(=O)N=c1ncn(C(C)C)[nH]1 ZINC000651777962 492821219 /nfs/dbraw/zinc/82/12/19/492821219.db2.gz HAFHXHCHMHRXCO-LBPRGKRZSA-N 0 2 350.423 0.127 10 0 FCAELN O=C(N=c1ncn(C2CCCCC2)[nH]1)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000652246781 492898919 /nfs/dbraw/zinc/89/89/19/492898919.db2.gz YVUPVAKIXKBAOP-KRWDZBQOSA-N 0 2 365.434 0.192 10 0 FCAELN O=C(c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)N1CCn2c(CC3CC3)nnc2C1 ZINC000652751306 493014890 /nfs/dbraw/zinc/01/48/90/493014890.db2.gz XYYNYEBJIBSXLY-UHFFFAOYSA-N 0 2 367.369 0.636 10 0 FCAELN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@H]1CCN=C2C1=NNN2C ZINC000646615793 493069679 /nfs/dbraw/zinc/06/96/79/493069679.db2.gz SLZHSCXAWMMOOF-QMMMGPOBSA-N 0 2 359.415 0.580 10 0 FCAELN C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627118339 493090468 /nfs/dbraw/zinc/09/04/68/493090468.db2.gz YIWPNNLDJPNAHS-MSOLQXFVSA-N 0 2 361.490 0.090 10 0 FCAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N2CN(C)C(=O)[C@@H]2C)s[nH]1 ZINC000646912975 493125075 /nfs/dbraw/zinc/12/50/75/493125075.db2.gz QXLPHKXBCKYQIF-QMMMGPOBSA-N 0 2 365.440 0.582 10 0 FCAELN COc1ncc(S(=O)(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1Cl ZINC000647126428 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ZINC001629894199 1290632519 /nfs/dbraw/zinc/63/25/19/1290632519.db2.gz CZKPJYDEGMKPKN-NSHDSACASA-N 0 2 362.386 0.785 10 0 FCAELN O=C(NC[C@@H](O)c1cccc(F)c1)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001630152594 1290648376 /nfs/dbraw/zinc/64/83/76/1290648376.db2.gz UCLNSDCXMYQLMK-CQSZACIVSA-N 0 2 358.329 0.869 10 0 FCAELN CN(C)C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)C1 ZINC001630537341 1290674813 /nfs/dbraw/zinc/67/48/13/1290674813.db2.gz HXFBSANDWSCTCT-ZDUSSCGKSA-N 0 2 374.401 0.094 10 0 FCAELN CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC001643899432 1290924006 /nfs/dbraw/zinc/92/40/06/1290924006.db2.gz OWAYDPYQOJSWRQ-CYBMUJFWSA-N 0 2 368.434 0.873 10 0 FCAELN CCOC(=O)C(C)(C)O[N-]C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC001643899432 1290924011 /nfs/dbraw/zinc/92/40/11/1290924011.db2.gz OWAYDPYQOJSWRQ-CYBMUJFWSA-N 0 2 368.434 0.873 10 0 FCAELN Cn1nnc(NS(=O)(=O)c2ccc(NC(=O)CC3(O)CCC3)cc2)n1 ZINC001644729394 1290978129 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365.327 0.661 10 0 FCAELN O=C(CNC(=O)C1CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](F)C(F)(F)F ZINC001686125337 1292777533 /nfs/dbraw/zinc/77/75/33/1292777533.db2.gz RKGOBZUDSIPJEO-SVDPJWKOSA-N 0 2 365.327 0.661 10 0 FCAELN O=C(CN1CCOCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001686180245 1292800994 /nfs/dbraw/zinc/80/09/94/1292800994.db2.gz NALFCWKIVVORIS-DCQANWLSSA-N 0 2 367.343 0.467 10 0 FCAELN O=C(CN1CCOCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C(F)(F)F)C2 ZINC001686180245 1292801007 /nfs/dbraw/zinc/80/10/07/1292801007.db2.gz NALFCWKIVVORIS-DCQANWLSSA-N 0 2 367.343 0.467 10 0 FCAELN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001686217850 1292833556 /nfs/dbraw/zinc/83/35/56/1292833556.db2.gz MSJGPTBPTHJXAK-NWDGAFQWSA-N 0 2 373.479 0.742 10 0 FCAELN CN1c2ccccc2C[C@H](NC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)C1=O ZINC001687020673 1292974646 /nfs/dbraw/zinc/97/46/46/1292974646.db2.gz CLKBYSNPBVAIQD-STQMWFEESA-N 0 2 370.413 0.987 10 0 FCAELN COC(=O)c1ccc(S(=O)(=O)NNc2nncc(N)c2Cl)cc1 ZINC001116289162 846649222 /nfs/dbraw/zinc/64/92/22/846649222.db2.gz QTQDYNALIZIRAC-UHFFFAOYSA-N 0 2 357.779 0.804 10 0 FCAELN COC[C@@H](NC(=O)c1cc(Br)cc2[nH]cnc21)c1nn[nH]n1 ZINC001177829118 850871167 /nfs/dbraw/zinc/87/11/67/850871167.db2.gz VZIUVBLJCPDQMB-SECBINFHSA-N 0 2 366.179 0.956 10 0 FCAELN CS(=O)(=O)Cc1nnc(CNC(=O)c2cccc3c2COCC3)[nH]1 ZINC001179021386 850948108 /nfs/dbraw/zinc/94/81/08/850948108.db2.gz SSNGLJCMFATILS-UHFFFAOYSA-N 0 2 350.400 0.352 10 0 FCAELN COC(=O)C1([C@@]2(O)CCCN(C(=O)C[C@H]3SC(=N)NC3=O)C2)CCC1 ZINC001179199359 850962404 /nfs/dbraw/zinc/96/24/04/850962404.db2.gz FFRFHJZKSMGJLG-QLJPJBMISA-N 0 2 369.443 0.240 10 0 FCAELN CS(=O)(=O)Cc1nnc(CNC(=O)N(C[C@@H]2CCOC2)C2CC2)[nH]1 ZINC001255843209 858038059 /nfs/dbraw/zinc/03/80/59/858038059.db2.gz XLLHJWFEMDFOAV-JTQLQIEISA-N 0 2 357.436 0.060 10 0 FCAELN CS(=O)(=O)Cc1nnc(CNC(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)[nH]1 ZINC001255843360 858038334 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BNNYEQSZFFSYFF-JEZHCXPESA-N 0 2 371.718 0.880 10 0 FCAELN Cn1cc(Cl)cc1C(=O)N1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)[C@@H](O)C1 ZINC001281896932 863906757 /nfs/dbraw/zinc/90/67/57/863906757.db2.gz BNNYEQSZFFSYFF-JEZHCXPESA-N 0 2 371.718 0.880 10 0 FCAELN Cc1nnc(CC(=O)NC[C@H]2CC[C@@H](NC(=O)C(F)C(F)(F)F)C2)[nH]1 ZINC001282118360 864064246 /nfs/dbraw/zinc/06/42/46/864064246.db2.gz CBXPSPKQPADWKD-SBMIAAHKSA-N 0 2 365.331 0.957 10 0 FCAELN CC[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CCN1C(=O)CCNC(=O)NC ZINC001282261478 864147993 /nfs/dbraw/zinc/14/79/93/864147993.db2.gz RSDIQOKJQBVUQO-NGZCFLSTSA-N 0 2 370.347 0.702 10 0 FCAELN CC[C@@H]1[C@@H](NC(=O)[C@H](F)C(F)(F)F)CCN1C(=O)CCNC(=O)NC ZINC001282261478 864148001 /nfs/dbraw/zinc/14/80/01/864148001.db2.gz RSDIQOKJQBVUQO-NGZCFLSTSA-N 0 2 370.347 0.702 10 0 FCAELN C[C@@H]1[C@@H](NC(=O)CCc2nnc[nH]2)CCN1C(=O)C(F)C(F)(F)F ZINC001282335571 864194932 /nfs/dbraw/zinc/19/49/32/864194932.db2.gz YRCNPBYLPZGDDT-VHSKPIJISA-N 0 2 351.304 0.743 10 0 FCAELN 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ZINC000567887495 491538112 /nfs/dbraw/zinc/53/81/12/491538112.db2.gz LUSGOHZOTQTYGJ-KGLIPLIRSA-N 0 2 356.382 0.363 10 0 FCAELN Cc1nnc(CN(C)CC(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)n1C ZINC000560449877 491539898 /nfs/dbraw/zinc/53/98/98/491539898.db2.gz CULYQTBRVYJYPQ-UHFFFAOYSA-N 0 2 370.417 0.993 10 0 FCAELN C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000576356642 491607660 /nfs/dbraw/zinc/60/76/60/491607660.db2.gz GQEOJNVAIUOPCQ-MRXNPFEDSA-N 0 2 374.489 0.304 10 0 FCAELN CC(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000577607120 491635564 /nfs/dbraw/zinc/63/55/64/491635564.db2.gz OMSUQDRHIYZBIV-HZPDHXFCSA-N 0 2 366.412 0.693 10 0 FCAELN Cn1c2cc(O)c(NS(=O)(=O)c3cncc(F)c3)cc2n(C)c1=O ZINC000578825889 491685283 /nfs/dbraw/zinc/68/52/83/491685283.db2.gz XWDKRGRTIJAEEO-UHFFFAOYSA-N 0 2 352.347 0.918 10 0 FCAELN CNC(=O)COc1cccc(CC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000579161938 491692365 /nfs/dbraw/zinc/69/23/65/491692365.db2.gz ZKPZFWNSXQIIQE-UHFFFAOYSA-N 0 2 373.413 0.584 10 0 FCAELN COC(=O)CCS(=O)(=O)Nc1ccc(C(N)=O)cc1OCC(F)F ZINC000581580720 491778789 /nfs/dbraw/zinc/77/87/89/491778789.db2.gz PKPXWNVDNMSTIO-UHFFFAOYSA-N 0 2 366.342 0.734 10 0 FCAELN O=C([O-])[C@H]1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCO1 ZINC000583750691 491851213 /nfs/dbraw/zinc/85/12/13/491851213.db2.gz GHYKYEFWVGWUSF-CYBMUJFWSA-N 0 2 351.384 0.406 10 0 FCAELN C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000583752907 491851309 /nfs/dbraw/zinc/85/13/09/491851309.db2.gz HILUBXHUACQJPK-APIJFGDWSA-N 0 2 369.462 0.123 10 0 FCAELN C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000583752907 491851310 /nfs/dbraw/zinc/85/13/10/491851310.db2.gz HILUBXHUACQJPK-APIJFGDWSA-N 0 2 369.462 0.123 10 0 FCAELN C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000584217332 491860758 /nfs/dbraw/zinc/86/07/58/491860758.db2.gz VYLSUOUKLUEHFI-GFCCVEGCSA-N 0 2 362.409 0.819 10 0 FCAELN CC(C)(C)OC(=O)Cn1ccc(=NC(=O)N=c2nc3n([nH]2)CCCC3)[nH]1 ZINC000596925841 492005161 /nfs/dbraw/zinc/00/51/61/492005161.db2.gz ISPOQQKMRMFDPR-UHFFFAOYSA-N 0 2 361.406 0.640 10 0 FCAELN CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000597602519 492050847 /nfs/dbraw/zinc/05/08/47/492050847.db2.gz UAHCQPCJNJUNOT-INIZCTEOSA-N 0 2 354.407 0.963 10 0 FCAELN CS(=O)(=O)Nc1nnc(NC(=O)c2ccc(-n3cncn3)cc2)s1 ZINC000615885340 492106357 /nfs/dbraw/zinc/10/63/57/492106357.db2.gz XOBOCYGJJGSXTL-UHFFFAOYSA-N 0 2 365.400 0.743 10 0 FCAELN Cn1nccc1[C@H]1COCCN1C(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000616566669 492137689 /nfs/dbraw/zinc/13/76/89/492137689.db2.gz XIIDOCUBHPZXPE-CQSZACIVSA-N 0 2 355.354 0.977 10 0 FCAELN O=C(NC1(c2nn[nH]n2)CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000607342494 492144293 /nfs/dbraw/zinc/14/42/93/492144293.db2.gz CHSSACXADMBRAI-HNNXBMFYSA-N 0 2 356.430 0.986 10 0 FCAELN O=C(CSc1n[nH]c(=O)[nH]1)N[C@H](C1CCOCC1)C1(CO)CCC1 ZINC000616911099 492148207 /nfs/dbraw/zinc/14/82/07/492148207.db2.gz YFNDANDRPMNGAC-GFCCVEGCSA-N 0 2 356.448 0.676 10 0 FCAELN COC(=O)CN(CCN1CCOCC1)C(=O)c1c(O)cc(F)cc1F ZINC000609806131 492222867 /nfs/dbraw/zinc/22/28/67/492222867.db2.gz MMJVEZFANYVMLW-UHFFFAOYSA-N 0 2 358.341 0.618 10 0 FCAELN CCOC(=O)c1nc(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c[nH]1 ZINC000618906567 492242531 /nfs/dbraw/zinc/24/25/31/492242531.db2.gz NRXNKUKITAFVKO-UHFFFAOYSA-N 0 2 369.403 0.428 10 0 FCAELN C[C@@H]1CCN(C(=O)C(=O)NCCc2cn3ccccc3[nH+]2)C[C@H]1C(=O)[O-] ZINC000647579150 492321930 /nfs/dbraw/zinc/32/19/30/492321930.db2.gz FQYIZAJEZLUDMB-TZMCWYRMSA-N 0 2 358.398 0.562 10 0 FCAELN Cc1nc(C)c(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@H](c3c[nH+]cn3C)C2)s1 ZINC000647625349 492337401 /nfs/dbraw/zinc/33/74/01/492337401.db2.gz GABXRDSWOCCFJZ-QWRGUYRKSA-N 0 2 370.456 0.982 10 0 FCAELN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCn2nnc(CO)c2C1 ZINC000647767807 492357825 /nfs/dbraw/zinc/35/78/25/492357825.db2.gz OFMDGLQFKBBNGQ-UHFFFAOYSA-N 0 2 374.788 0.971 10 0 FCAELN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000655050320 492395766 /nfs/dbraw/zinc/39/57/66/492395766.db2.gz TYUVWXZCMGSZMJ-LLVKDONJSA-N 0 2 351.388 0.458 10 0 FCAELN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@H]2C[C@H](C(N)=O)C2)s[nH]1 ZINC000627834090 492397415 /nfs/dbraw/zinc/39/74/15/492397415.db2.gz WXPFAASRGFKOLE-ZKCHVHJHSA-N 0 2 365.440 0.316 10 0 FCAELN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648229900 492416200 /nfs/dbraw/zinc/41/62/00/492416200.db2.gz WACLXTKIJOYZCO-VIFPVBQESA-N 0 2 356.429 0.389 10 0 FCAELN CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000622178278 492464034 /nfs/dbraw/zinc/46/40/34/492464034.db2.gz SIEZYDFRPMKMQL-CYBMUJFWSA-N 0 2 359.386 0.858 10 0 FCAELN C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655980366 492502920 /nfs/dbraw/zinc/50/29/20/492502920.db2.gz DOXYXYZYWOBNKE-ZDEQEGDKSA-N 0 2 350.419 0.639 10 0 FCAELN C[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(=O)[O-] ZINC000655996258 492508805 /nfs/dbraw/zinc/50/88/05/492508805.db2.gz OUOIEAJDLWQPTL-LLVKDONJSA-N 0 2 367.833 0.651 10 0 FCAELN C[C@H](CNC(=O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C(=O)[O-] ZINC000655996258 492508809 /nfs/dbraw/zinc/50/88/09/492508809.db2.gz OUOIEAJDLWQPTL-LLVKDONJSA-N 0 2 367.833 0.651 10 0 FCAELN CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000655998874 492509977 /nfs/dbraw/zinc/50/99/77/492509977.db2.gz YCCIKEXHJTVNCR-YIYPIFLZSA-N 0 2 357.451 0.073 10 0 FCAELN CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000655998874 492509982 /nfs/dbraw/zinc/50/99/82/492509982.db2.gz YCCIKEXHJTVNCR-YIYPIFLZSA-N 0 2 357.451 0.073 10 0 FCAELN C[C@H](NC(=O)C(=O)N(C)Cc1[nH+]ccn1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656021162 492519105 /nfs/dbraw/zinc/51/91/05/492519105.db2.gz VLELKCOXFJVUAO-SDDRHHMPSA-N 0 2 350.419 0.630 10 0 FCAELN C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656023806 492520489 /nfs/dbraw/zinc/52/04/89/492520489.db2.gz FSHDHVCBUCJWGS-HGTKMLMNSA-N 0 2 354.495 0.234 10 0 FCAELN COCCOCCN(CCO)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000628597657 492528531 /nfs/dbraw/zinc/52/85/31/492528531.db2.gz MZYNWLVMOKBYRG-UHFFFAOYSA-N 0 2 367.377 0.815 10 0 FCAELN C[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656086096 492546956 /nfs/dbraw/zinc/54/69/56/492546956.db2.gz QKODSKILMXRUEO-WCVJEAGWSA-N 0 2 354.495 0.153 10 0 FCAELN C[C@H](CNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656180343 492562268 /nfs/dbraw/zinc/56/22/68/492562268.db2.gz IBAITGDLTYFDBT-YIYPIFLZSA-N 0 2 363.480 0.115 10 0 FCAELN C[C@H](CNS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656180343 492562271 /nfs/dbraw/zinc/56/22/71/492562271.db2.gz IBAITGDLTYFDBT-YIYPIFLZSA-N 0 2 363.480 0.115 10 0 FCAELN CCNc1nc(NC(C)(C)C)[nH+]c(N2CCN(c3nncn3C)CC2)n1 ZINC000656216982 492564749 /nfs/dbraw/zinc/56/47/49/492564749.db2.gz AHLBIVGNGLOADN-UHFFFAOYSA-N 0 2 360.470 0.391 10 0 FCAELN Cc1cc(CN(Cc2n[nH]c(=O)[nH]2)C2CC2)cc(S(N)(=O)=O)c1C ZINC000649745214 492578180 /nfs/dbraw/zinc/57/81/80/492578180.db2.gz FQQUINDAGNLVDH-UHFFFAOYSA-N 0 2 351.432 0.939 10 0 FCAELN C[C@H](CNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656334919 492598549 /nfs/dbraw/zinc/59/85/49/492598549.db2.gz UWPDWFPSTPDJDU-NPCUJANDSA-N 0 2 366.506 0.199 10 0 FCAELN C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656334920 492598584 /nfs/dbraw/zinc/59/85/84/492598584.db2.gz UWPDWFPSTPDJDU-WVCIDPQESA-N 0 2 366.506 0.199 10 0 FCAELN CNC(=O)c1cc(S(=O)(=O)Nc2cnc(OC)c(OC)c2)cn1C ZINC000629315217 492607745 /nfs/dbraw/zinc/60/77/45/492607745.db2.gz LKSBLBAADTUVKK-UHFFFAOYSA-N 0 2 354.388 0.598 10 0 FCAELN C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N1CC(C)(C)C1)C(F)(F)F ZINC000656378142 492617480 /nfs/dbraw/zinc/61/74/80/492617480.db2.gz YENHXHNISKMRPV-SECBINFHSA-N 0 2 366.427 0.918 10 0 FCAELN O=S(=O)(CCCS(=O)(=O)N[C@H]1CCCC1(F)F)Nc1ccon1 ZINC000656382102 492619479 /nfs/dbraw/zinc/61/94/79/492619479.db2.gz XIZCMCVRRXJJBT-VIFPVBQESA-N 0 2 373.403 0.914 10 0 FCAELN Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H](C)C(C)(C)O)no1 ZINC000656383499 492619595 /nfs/dbraw/zinc/61/95/95/492619595.db2.gz YUAZBURMSOLAJL-SNVBAGLBSA-N 0 2 369.465 0.194 10 0 FCAELN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000650387503 492636945 /nfs/dbraw/zinc/63/69/45/492636945.db2.gz NTDZQHXLIYZGGT-SECBINFHSA-N 0 2 364.305 0.798 10 0 FCAELN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000650387503 492636949 /nfs/dbraw/zinc/63/69/49/492636949.db2.gz NTDZQHXLIYZGGT-SECBINFHSA-N 0 2 364.305 0.798 10 0 FCAELN COc1cccc(S(=O)(=O)N2C[C@H](C(=O)[O-])[C@@H](c3c[nH+]cn3C)C2)c1 ZINC000650424802 492641356 /nfs/dbraw/zinc/64/13/56/492641356.db2.gz MZONYQAOTTZDIJ-KBPBESRZSA-N 0 2 365.411 0.918 10 0 FCAELN CC(C)n1cnc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000650488503 492646747 /nfs/dbraw/zinc/64/67/47/492646747.db2.gz JDOPIFBRGZFYRX-UHFFFAOYSA-N 0 2 350.404 0.850 10 0 FCAELN Cc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC000650501175 492646861 /nfs/dbraw/zinc/64/68/61/492646861.db2.gz QQUIGKJITHFKIO-ZYHUDNBSSA-N 0 2 355.416 0.518 10 0 FCAELN Cc1ccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])cc1S(N)(=O)=O ZINC000650501175 492646862 /nfs/dbraw/zinc/64/68/62/492646862.db2.gz QQUIGKJITHFKIO-ZYHUDNBSSA-N 0 2 355.416 0.518 10 0 FCAELN CO[C@H](CS(=O)(=O)Nc1ccc(-c2cnn(C)c2)nn1)[C@H]1CCOC1 ZINC000656733645 492647238 /nfs/dbraw/zinc/64/72/38/492647238.db2.gz LZHIIIVPNWIMBK-SMDDNHRTSA-N 0 2 367.431 0.670 10 0 FCAELN COCCc1cc(NS(=O)(=O)c2cc(C)cc(C(N)=O)c2)n(C)n1 ZINC000656729836 492647609 /nfs/dbraw/zinc/64/76/09/492647609.db2.gz CBRGEYHGEIVTRX-UHFFFAOYSA-N 0 2 352.416 0.817 10 0 FCAELN CNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(n2)OCCO3)cn1C ZINC000656740476 492648461 /nfs/dbraw/zinc/64/84/61/492648461.db2.gz BYSWZNSAWOYUFV-UHFFFAOYSA-N 0 2 352.372 0.352 10 0 FCAELN C[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1 ZINC000629616754 492659733 /nfs/dbraw/zinc/65/97/33/492659733.db2.gz AITLIPIGTWTTCN-NOZJJQNGSA-N 0 2 356.429 0.897 10 0 FCAELN Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]2C)s1 ZINC000629628963 492660879 /nfs/dbraw/zinc/66/08/79/492660879.db2.gz KFLQZRBLVILPPI-PSASIEDQSA-N 0 2 353.491 0.911 10 0 FCAELN CNC(=O)c1ccc(=NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)[nH]n1 ZINC000650815234 492670147 /nfs/dbraw/zinc/67/01/47/492670147.db2.gz MOTDRESGOXMXSW-AWEZNQCLSA-N 0 2 369.381 0.628 10 0 FCAELN CNC(=O)c1ccc(=NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)[nH]n1 ZINC000650814860 492670259 /nfs/dbraw/zinc/67/02/59/492670259.db2.gz AAPFTNQAVDYGHE-ZDUSSCGKSA-N 0 2 367.409 0.867 10 0 FCAELN CNC(=O)c1ccc(=NC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)[nH]n1 ZINC000650816710 492671307 /nfs/dbraw/zinc/67/13/07/492671307.db2.gz DJDRSTNEOXEOAU-AWEZNQCLSA-N 0 2 367.409 0.749 10 0 FCAELN CNC(=O)c1ccc(=NC(=O)CCCOc2ccc3c(c2)OCO3)[nH]n1 ZINC000650817839 492672187 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0 2 374.378 0.972 10 0 FCAELN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001116945807 1221406218 /nfs/dbraw/zinc/40/62/18/1221406218.db2.gz MSUHCSPVAUXZNF-LBPRGKRZSA-N 0 2 370.417 0.904 10 0 FCAELN O=C([O-])[C@@]1([NH+]2CCN(C(=O)c3nnc4ccccc4c3O)CC2)CCOC1 ZINC001118972982 1221852175 /nfs/dbraw/zinc/85/21/75/1221852175.db2.gz OGSRZVVYCTXUHU-GOSISDBHSA-N 0 2 372.381 0.337 10 0 FCAELN Cn1cc(C[C@H](CO)NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)cn1 ZINC001142581504 1222836489 /nfs/dbraw/zinc/83/64/89/1222836489.db2.gz HLLYNYSMVBSHTN-SNVBAGLBSA-N 0 2 374.319 0.525 10 0 FCAELN Cc1nnc(CC(=O)N[C@@H]2CC[C@H](CNC(=O)C(F)C(F)(F)F)C2)[nH]1 ZINC001515069417 1265416599 /nfs/dbraw/zinc/41/65/99/1265416599.db2.gz FYQYCJFKENOHRF-SBMIAAHKSA-N 0 2 365.331 0.957 10 0 FCAELN CC(=O)N1CC(C(=O)N2CC[C@H](NC(=O)C(F)C(F)(F)F)[C@H]2C)C1 ZINC001520766059 1265991478 /nfs/dbraw/zinc/99/14/78/1265991478.db2.gz NREOYLDHPLVRLR-PPKCKEKNSA-N 0 2 353.316 0.471 10 0 FCAELN CC(=O)N1CC(C(=O)N2CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)[C@H]2C)C1 ZINC001520766059 1265991487 /nfs/dbraw/zinc/99/14/87/1265991487.db2.gz NREOYLDHPLVRLR-PPKCKEKNSA-N 0 2 353.316 0.471 10 0 FCAELN C[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CCN1C(=O)Cc1cnn(C)c1 ZINC001520765142 1265992217 /nfs/dbraw/zinc/99/22/17/1265992217.db2.gz FABYXTIAYHLPNH-QRTLGDNMSA-N 0 2 350.316 0.969 10 0 FCAELN C[C@@H]1[C@@H](NC(=O)[C@H](F)C(F)(F)F)CCN1C(=O)Cc1cnn(C)c1 ZINC001520765142 1265992225 /nfs/dbraw/zinc/99/22/25/1265992225.db2.gz FABYXTIAYHLPNH-QRTLGDNMSA-N 0 2 350.316 0.969 10 0 FCAELN Cn1c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(F)C(F)(F)F)C3)c[nH]c1=O ZINC001522160395 1266383272 /nfs/dbraw/zinc/38/32/72/1266383272.db2.gz ZSAUZFZBQMTIDP-VEVYYDQMSA-N 0 2 364.299 0.888 10 0 FCAELN Cn1c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](F)C(F)(F)F)C3)c[nH]c1=O ZINC001522160395 1266383280 /nfs/dbraw/zinc/38/32/80/1266383280.db2.gz ZSAUZFZBQMTIDP-VEVYYDQMSA-N 0 2 364.299 0.888 10 0 FCAELN CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)C1 ZINC001472022841 1261426176 /nfs/dbraw/zinc/42/61/76/1261426176.db2.gz JDRUGWKZIBMBOZ-LBPRGKRZSA-N 0 2 359.386 0.207 10 0 FCAELN COC(=O)CC1(NC(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)CCCC1 ZINC001297360030 1262862863 /nfs/dbraw/zinc/86/28/63/1262862863.db2.gz PKTWFNCQVWXYMT-UHFFFAOYSA-N 0 2 360.370 0.872 10 0 FCAELN Cc1ncc(CCNC(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)s1 ZINC001478262961 1263124609 /nfs/dbraw/zinc/12/46/09/1263124609.db2.gz SEZFNGGTUDTLJZ-UHFFFAOYSA-N 0 2 358.449 0.156 10 0 FCAELN CO[C@@](C)([C@@H](C)NC(=O)NCc1nnc(CS(C)(=O)=O)[nH]1)C1CC1 ZINC001478816381 1263146130 /nfs/dbraw/zinc/14/61/30/1263146130.db2.gz NDFQXXOYUXMQJP-OTYXRUKQSA-N 0 2 359.452 0.352 10 0 FCAELN C[C@@H](CNC(=O)NCc1nnc(CS(C)(=O)=O)[nH]1)CC(F)(F)F ZINC001478838060 1263147831 /nfs/dbraw/zinc/14/78/31/1263147831.db2.gz CSMFNBHCBTWLRY-SSDOTTSWSA-N 0 2 357.358 0.737 10 0 FCAELN COCC1(C2CCC2)CN(C(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)C1 ZINC001479429319 1263196394 /nfs/dbraw/zinc/19/63/94/1263196394.db2.gz SNUXNJQVTIPHBF-UHFFFAOYSA-N 0 2 371.463 0.307 10 0 FCAELN C[C@@H]1COC2(CCC2)CN1C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001479427974 1263196909 /nfs/dbraw/zinc/19/69/09/1263196909.db2.gz JGAKZZWURBMZNN-SNVBAGLBSA-N 0 2 357.436 0.202 10 0 FCAELN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NCCCc1nnnn1C ZINC001479553897 1263251631 /nfs/dbraw/zinc/25/16/31/1263251631.db2.gz YUWJZVVGJBIKIG-UHFFFAOYSA-N 0 2 362.419 0.695 10 0 FCAELN O=C(Cn1[nH]cc2c(=O)ncnc1-2)N[C@H](c1nc[nH]n1)c1ccccc1 ZINC001320245749 1263777043 /nfs/dbraw/zinc/77/70/43/1263777043.db2.gz BXAVQIPAUAABAC-ZDUSSCGKSA-N 0 2 350.342 0.095 10 0 FCAELN CCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C2)nn1C ZINC001512972033 1264779979 /nfs/dbraw/zinc/77/99/79/1264779979.db2.gz KKTTWKUKKNIQSA-MXWKQRLJSA-N 0 2 366.315 0.184 10 0 FCAELN CCc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)nn1C ZINC001512972033 1264779983 /nfs/dbraw/zinc/77/99/83/1264779983.db2.gz KKTTWKUKKNIQSA-MXWKQRLJSA-N 0 2 366.315 0.184 10 0 FCAELN CO[C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001513384676 1265079441 /nfs/dbraw/zinc/07/94/41/1265079441.db2.gz HYRODIYKFWPTCD-FOGDFJRCSA-N 0 2 367.299 0.850 10 0 FCAELN CO[C@@H]1CN(C(=O)CCc2ccon2)C[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC001513384676 1265079454 /nfs/dbraw/zinc/07/94/54/1265079454.db2.gz HYRODIYKFWPTCD-FOGDFJRCSA-N 0 2 367.299 0.850 10 0 FCAELN Cc1noc(C)c1C(=O)N1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C1 ZINC001513529193 1265183035 /nfs/dbraw/zinc/18/30/35/1265183035.db2.gz BZJJOKDOEKOUDN-WEDXCCLWSA-N 0 2 353.272 0.493 10 0 FCAELN Cc1noc(C)c1C(=O)N1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)[C@@H](O)C1 ZINC001513529193 1265183040 /nfs/dbraw/zinc/18/30/40/1265183040.db2.gz BZJJOKDOEKOUDN-WEDXCCLWSA-N 0 2 353.272 0.493 10 0 FCAELN COCc1nnc(CNC(=O)C(=O)Nc2ccc(C(=O)OC)cc2F)[nH]1 ZINC001327308683 1265280608 /nfs/dbraw/zinc/28/06/08/1265280608.db2.gz ZYJLZHKJJXTOLQ-UHFFFAOYSA-N 0 2 365.321 0.132 10 0 FCAELN Nc1nccnc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001522280595 1266463165 /nfs/dbraw/zinc/46/31/65/1266463165.db2.gz YNUMMVUTSKRKEO-BDNRQGISSA-N 0 2 361.299 0.821 10 0 FCAELN Nc1nccnc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2 ZINC001522280595 1266463170 /nfs/dbraw/zinc/46/31/70/1266463170.db2.gz YNUMMVUTSKRKEO-BDNRQGISSA-N 0 2 361.299 0.821 10 0 FCAELN COCc1nnc(CNC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)[nH]1 ZINC001334499196 1267038077 /nfs/dbraw/zinc/03/80/77/1267038077.db2.gz IQFUCWIYQZXICQ-SECBINFHSA-N 0 2 356.379 0.569 10 0 FCAELN CS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(CNC(=O)C(F)(F)F)o2)C1 ZINC001335201410 1267401823 /nfs/dbraw/zinc/40/18/23/1267401823.db2.gz VWQPFZNEAKTDDO-SECBINFHSA-N 0 2 368.333 0.717 10 0 FCAELN Nc1cc(I)ccc1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001545329378 1267611960 /nfs/dbraw/zinc/61/19/60/1267611960.db2.gz HSQYGPOKCBKDIW-UHFFFAOYSA-N 0 2 359.127 0.627 10 0 FCAELN CC[C@@H]1CN(C(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)C[C@@H](C)[S@@]1=O ZINC001556556968 1268865349 /nfs/dbraw/zinc/86/53/49/1268865349.db2.gz VZJNOSXNNVYWCW-NWLZYJAVSA-N 0 2 364.427 0.638 10 0 FCAELN O=C(C1=NN(c2ccccc2)CC1=O)N1CCC(O)(COCCO)CC1 ZINC001558420707 1269088157 /nfs/dbraw/zinc/08/81/57/1269088157.db2.gz CAROSLAUOJSSEG-UHFFFAOYSA-N 0 2 361.398 0.554 10 0 FCAELN Cc1nc(C(C)C)ncc1C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001558552956 1269112531 /nfs/dbraw/zinc/11/25/31/1269112531.db2.gz MGNIWIHRRJRSAL-UHFFFAOYSA-N 0 2 352.420 0.501 10 0 FCAELN O=C(NCC[C@H]1CNC(=O)C1)NCc1nnc(COc2ccccc2)[nH]1 ZINC001564599333 1269424639 /nfs/dbraw/zinc/42/46/39/1269424639.db2.gz KPJKJVLCQYDMSA-GFCCVEGCSA-N 0 2 358.402 0.709 10 0 FCAELN CS(=O)(=O)Cc1nnc(CNC(=O)NC[C@@H]2CC3CCC2CC3)[nH]1 ZINC001564966858 1269445926 /nfs/dbraw/zinc/44/59/26/1269445926.db2.gz HAEVXEMNHVCENJ-MCIGGMRASA-N 0 2 355.464 0.975 10 0 FCAELN CS(=O)(=O)Cc1nnc(CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)[nH]1 ZINC001564978799 1269447038 /nfs/dbraw/zinc/44/70/38/1269447038.db2.gz BIWINPROSCOIOY-STQMWFEESA-N 0 2 363.443 0.952 10 0 FCAELN CS(=O)(=O)Cc1nnc(CNC(=O)NC[C@H]2CCC3(CCC3)CO2)[nH]1 ZINC001565355793 1269464983 /nfs/dbraw/zinc/46/49/83/1269464983.db2.gz QMMWRFAPDPJLHR-LLVKDONJSA-N 0 2 371.463 0.498 10 0 FCAELN CC(C)(CNC(=O)NCc1nnc(CS(C)(=O)=O)[nH]1)C1CCOCC1 ZINC001565404360 1269470600 /nfs/dbraw/zinc/47/06/00/1269470600.db2.gz WHORVSCUIHULLQ-UHFFFAOYSA-N 0 2 373.479 0.601 10 0 FCAELN C[C@@H]1CN(C(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CC2(CCCC2)O1 ZINC001565403830 1269471115 /nfs/dbraw/zinc/47/11/15/1269471115.db2.gz IRMAHEZQBRCRGX-LLVKDONJSA-N 0 2 371.463 0.592 10 0 FCAELN Cn1cccc1[C@H]1CCCN1C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001565401691 1269471208 /nfs/dbraw/zinc/47/12/08/1269471208.db2.gz AVLTXDRJBVHJCN-GFCCVEGCSA-N 0 2 366.447 0.735 10 0 FCAELN C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)[C@@H]1C)N(C)CC(F)(F)F ZINC001566100901 1269602510 /nfs/dbraw/zinc/60/25/10/1269602510.db2.gz PWWWNLIXIQNPNL-BBBLOLIVSA-N 0 2 364.372 0.472 10 0 FCAELN C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@@H]1C)N(C)CC(F)(F)F ZINC001566100901 1269602516 /nfs/dbraw/zinc/60/25/16/1269602516.db2.gz PWWWNLIXIQNPNL-BBBLOLIVSA-N 0 2 364.372 0.472 10 0 FCAELN CO[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001342921664 1269680368 /nfs/dbraw/zinc/68/03/68/1269680368.db2.gz SLSZAXHPCVVSRW-FOGDFJRCSA-N 0 2 366.315 0.205 10 0 FCAELN CO[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC001342921664 1269680370 /nfs/dbraw/zinc/68/03/70/1269680370.db2.gz SLSZAXHPCVVSRW-FOGDFJRCSA-N 0 2 366.315 0.205 10 0 FCAELN O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCc1n[nH]c(=S)o1 ZINC001567852805 1269709939 /nfs/dbraw/zinc/70/99/39/1269709939.db2.gz NBIBBMPJPMKJMI-UHFFFAOYSA-N 0 2 353.404 0.272 10 0 FCAELN CCOC(=O)C[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccncc1 ZINC001570401950 1269877189 /nfs/dbraw/zinc/87/71/89/1269877189.db2.gz QYAXLUKCROOUJE-MNOVXSKESA-N 0 2 350.400 0.749 10 0 FCAELN COc1ccccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001572824790 1270198494 /nfs/dbraw/zinc/19/84/94/1270198494.db2.gz SWGOAKYRLHQNCL-FOGDFJRCSA-N 0 2 364.295 0.897 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C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C[C@@H]1C(=O)[O-] ZINC000647586316 492326605 /nfs/dbraw/zinc/32/66/05/492326605.db2.gz XOBKNPPDVGJJMH-UHOFOFEASA-N 0 2 359.426 0.859 10 0 FCAELN C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C[C@@H]1C(=O)[O-] ZINC000647586316 492326610 /nfs/dbraw/zinc/32/66/10/492326610.db2.gz XOBKNPPDVGJJMH-UHOFOFEASA-N 0 2 359.426 0.859 10 0 FCAELN CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000620723749 492328908 /nfs/dbraw/zinc/32/89/08/492328908.db2.gz QEMWXXNRSRNNFL-OAHLLOKOSA-N 0 2 371.441 0.032 10 0 FCAELN CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC000620723749 492328909 /nfs/dbraw/zinc/32/89/09/492328909.db2.gz QEMWXXNRSRNNFL-OAHLLOKOSA-N 0 2 371.441 0.032 10 0 FCAELN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000622146540 492459179 /nfs/dbraw/zinc/45/91/79/492459179.db2.gz XKUQHYWXDLJEES-RYUDHWBXSA-N 0 2 351.384 0.186 10 0 FCAELN CC(C)[C@H](CNC(=O)N[C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C(=O)[O-] ZINC000655873327 492482349 /nfs/dbraw/zinc/48/23/49/492482349.db2.gz HBFAIRXBSAXOQH-STQMWFEESA-N 0 2 365.434 0.567 10 0 FCAELN CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000655996993 492508839 /nfs/dbraw/zinc/50/88/39/492508839.db2.gz AOPAYHGZJHEAOE-APIJFGDWSA-N 0 2 371.478 0.463 10 0 FCAELN CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000655996993 492508843 /nfs/dbraw/zinc/50/88/43/492508843.db2.gz AOPAYHGZJHEAOE-APIJFGDWSA-N 0 2 371.478 0.463 10 0 FCAELN CN1CC[C@H](C(=O)Nc2nc(-c3ccc(O)c(Cl)c3)n[nH]2)S1(=O)=O ZINC000649216073 492510736 /nfs/dbraw/zinc/51/07/36/492510736.db2.gz IACVJWRVYPBHFT-SNVBAGLBSA-N 0 2 371.806 0.803 10 0 FCAELN C[C@H](NC(=O)C(=O)N1CC[NH+](C2CC2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656016825 492518025 /nfs/dbraw/zinc/51/80/25/492518025.db2.gz FYNIOLJKMWEWOV-FPMFFAJLSA-N 0 2 351.447 0.545 10 0 FCAELN C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000623568682 492567737 /nfs/dbraw/zinc/56/77/37/492567737.db2.gz HDLFYXWFXZKZHL-KRWDZBQOSA-N 0 2 364.490 0.799 10 0 FCAELN CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656302979 492578358 /nfs/dbraw/zinc/57/83/58/492578358.db2.gz OBLMNYDSGSKOQZ-YHUYYLMFSA-N 0 2 356.511 0.447 10 0 FCAELN COc1cc(F)cc(-c2noc(=NCC[NH+]3CCN(C(C)=O)CC3)[n-]2)c1 ZINC000623858484 492601768 /nfs/dbraw/zinc/60/17/68/492601768.db2.gz NBBNWEXIPKPRNH-UHFFFAOYSA-N 0 2 363.393 0.882 10 0 FCAELN Cc1ccc(NS(=O)(=O)c2cnnn2C)cc1C(=O)N1CCOCC1 ZINC000629297641 492604117 /nfs/dbraw/zinc/60/41/17/492604117.db2.gz ULJUZFFVBHVEFD-UHFFFAOYSA-N 0 2 365.415 0.397 10 0 FCAELN Cn1nncc1S(=O)(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 ZINC000629305394 492605539 /nfs/dbraw/zinc/60/55/39/492605539.db2.gz YNNRUVCMXWTRIU-CQSZACIVSA-N 0 2 364.387 0.013 10 0 FCAELN CNC(=O)c1ccc(NS(=O)(=O)CC2(OC)CCOCC2)c(OC)c1 ZINC000629314520 492607413 /nfs/dbraw/zinc/60/74/13/492607413.db2.gz VTTWSSUSBYYHNH-UHFFFAOYSA-N 0 2 372.443 0.992 10 0 FCAELN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000650387135 492636846 /nfs/dbraw/zinc/63/68/46/492636846.db2.gz ZQATXVCYDZJSDT-AWEZNQCLSA-N 0 2 365.411 0.502 10 0 FCAELN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)CCc1ccc2c(c1)CCO2 ZINC000650387135 492636851 /nfs/dbraw/zinc/63/68/51/492636851.db2.gz ZQATXVCYDZJSDT-AWEZNQCLSA-N 0 2 365.411 0.502 10 0 FCAELN CC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000650514392 492648069 /nfs/dbraw/zinc/64/80/69/492648069.db2.gz IKOVVKLBSJTLDF-ZDUSSCGKSA-N 0 2 371.459 0.979 10 0 FCAELN CC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000650514392 492648073 /nfs/dbraw/zinc/64/80/73/492648073.db2.gz IKOVVKLBSJTLDF-ZDUSSCGKSA-N 0 2 371.459 0.979 10 0 FCAELN CN1C2(CCC2)COC[C@]1(CO)CNc1nc(C2CCOCC2)ns1 ZINC000624508878 492654851 /nfs/dbraw/zinc/65/48/51/492654851.db2.gz DSUZRNSSVRIJPX-QGZVFWFLSA-N 0 2 368.503 0.882 10 0 FCAELN CC(C)C[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000644203200 492667490 /nfs/dbraw/zinc/66/74/90/492667490.db2.gz KBYCWWHAXATMFX-GJZGRUSLSA-N 0 2 369.462 0.173 10 0 FCAELN CNC(=O)c1ccc(=NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)[nH]n1 ZINC000650815235 492670125 /nfs/dbraw/zinc/67/01/25/492670125.db2.gz MOTDRESGOXMXSW-CQSZACIVSA-N 0 2 369.381 0.628 10 0 FCAELN CNC(=O)c1ccc(=NC(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)[nH]n1 ZINC000650815782 492670966 /nfs/dbraw/zinc/67/09/66/492670966.db2.gz ATYCBESPYIXSMH-UHFFFAOYSA-N 0 2 367.413 0.646 10 0 FCAELN CNC(=O)c1ccc(=NC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)[nH]n1 ZINC000650816247 492671263 /nfs/dbraw/zinc/67/12/63/492671263.db2.gz PLHBZLLCQWRAEI-RYUDHWBXSA-N 0 2 370.413 0.519 10 0 FCAELN CNC(=O)c1ccc(=NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)[nH]n1 ZINC000650817342 492672308 /nfs/dbraw/zinc/67/23/08/492672308.db2.gz ZTJSZOZAWLAHIV-LLVKDONJSA-N 0 2 365.459 0.534 10 0 FCAELN COCc1nnc(CNS(=O)(=O)c2cc(C(F)(F)F)nn2C)[nH]1 ZINC000625277078 492750501 /nfs/dbraw/zinc/75/05/01/492750501.db2.gz QQRYZTYCZFZNAU-UHFFFAOYSA-N 0 2 354.314 0.182 10 0 FCAELN CC(C)n1cnc(=NC(=O)C(=O)NCCCN2CCCCCC2=O)[nH]1 ZINC000651496016 492767990 /nfs/dbraw/zinc/76/79/90/492767990.db2.gz DUIKTCWIWDXVII-UHFFFAOYSA-N 0 2 350.423 0.128 10 0 FCAELN CC(C)n1cnc(=NC(=O)C(=O)NCCc2cnn(-c3ccccc3)c2)[nH]1 ZINC000651500106 492768775 /nfs/dbraw/zinc/76/87/75/492768775.db2.gz UUCLMNIBRXHLKO-UHFFFAOYSA-N 0 2 367.413 0.764 10 0 FCAELN COCCOc1ccc(CNC(=O)C(=O)N=c2ncn(C(C)C)[nH]2)cc1 ZINC000651504216 492769532 /nfs/dbraw/zinc/76/95/32/492769532.db2.gz ITBPATZIXWNYEE-UHFFFAOYSA-N 0 2 361.402 0.561 10 0 FCAELN CC(C)n1cnc(=NC(=O)C(=O)N2CCCN(CC(F)(F)F)CC2)[nH]1 ZINC000651519128 492773419 /nfs/dbraw/zinc/77/34/19/492773419.db2.gz CENPBUDHECKDKB-UHFFFAOYSA-N 0 2 362.356 0.316 10 0 FCAELN COc1cccc(CCNC(=O)C(=O)N=c2ncn(C(C)C)[nH]2)c1OC ZINC000651522100 492773972 /nfs/dbraw/zinc/77/39/72/492773972.db2.gz RXPDZFAFRSOOQW-UHFFFAOYSA-N 0 2 361.402 0.596 10 0 FCAELN CC(C)n1cnc(=NC(=O)C(=O)N2CCN(c3ncccc3F)CC2)[nH]1 ZINC000651641504 492798632 /nfs/dbraw/zinc/79/86/32/492798632.db2.gz UTVYJRBLOOAXFL-UHFFFAOYSA-N 0 2 361.381 0.102 10 0 FCAELN CC(C)n1cnc(=NC(=O)C(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)[nH]1 ZINC000651642917 492798691 /nfs/dbraw/zinc/79/86/91/492798691.db2.gz KWCOGWPVMZAGNK-SNVBAGLBSA-N 0 2 362.356 0.314 10 0 FCAELN CC(C)n1cnc(=NC(=O)C(=O)N2CCSC3(CCOCC3)C2)[nH]1 ZINC000651676815 492804760 /nfs/dbraw/zinc/80/47/60/492804760.db2.gz OIMJTXRMOPJGFI-UHFFFAOYSA-N 0 2 353.448 0.344 10 0 FCAELN CC[C@@H]1CN(C(=O)C(=O)N=c2ncn(C(C)C)[nH]2)[C@@H](CC)CN1C(C)=O ZINC000651720115 492812630 /nfs/dbraw/zinc/81/26/30/492812630.db2.gz QWFZIPOWAHERKD-KGLIPLIRSA-N 0 2 364.450 0.467 10 0 FCAELN COC[C@H](Cc1ccccc1)N(C)C(=O)C(=O)N=c1ncn(C(C)C)[nH]1 ZINC000651746535 492817225 /nfs/dbraw/zinc/81/72/25/492817225.db2.gz UGMHQJTXNVZAPN-HNNXBMFYSA-N 0 2 359.430 0.936 10 0 FCAELN CC(C)n1cnc(=NC(=O)C(=O)NCCOCC(F)(F)C(F)F)[nH]1 ZINC000651755203 492817964 /nfs/dbraw/zinc/81/79/64/492817964.db2.gz DEOUUGOOKGSNRL-UHFFFAOYSA-N 0 2 355.292 0.253 10 0 FCAELN CC(C)n1cnc(=NC(=O)C(=O)NC[C@@]2(CO)C[C@H]2c2ccccc2)[nH]1 ZINC000651813558 492826979 /nfs/dbraw/zinc/82/69/79/492826979.db2.gz PUEIHNLFKGMOEN-KBXCAEBGSA-N 0 2 357.414 0.502 10 0 FCAELN CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)[nH]1 ZINC000651832198 492829514 /nfs/dbraw/zinc/82/95/14/492829514.db2.gz BMSNXSVRKJTYJL-GFCCVEGCSA-N 0 2 364.450 0.360 10 0 FCAELN CC(C)n1cnc(=NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)[nH]1 ZINC000651851395 492835234 /nfs/dbraw/zinc/83/52/34/492835234.db2.gz SSCYTNUIYVKEGN-HNNXBMFYSA-N 0 2 370.457 0.952 10 0 FCAELN CC(C)(C)c1nc(=NC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)s[nH]1 ZINC000646259808 493033524 /nfs/dbraw/zinc/03/35/24/493033524.db2.gz BUDSYXDFJRHSRJ-CQSZACIVSA-N 0 2 374.488 0.679 10 0 FCAELN O=C([O-])c1ncccc1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000659050031 493129308 /nfs/dbraw/zinc/12/93/08/493129308.db2.gz GNLRPIAVJBSRSG-UHFFFAOYSA-N 0 2 369.381 0.899 10 0 FCAELN CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCO1 ZINC000681941790 493253748 /nfs/dbraw/zinc/25/37/48/493253748.db2.gz GRHNBKGGTQQNPL-HNNXBMFYSA-N 0 2 374.397 0.037 10 0 FCAELN O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCOC2(C[NH2+]C2)C1 ZINC000668608587 493383051 /nfs/dbraw/zinc/38/30/51/493383051.db2.gz YVSPCOUPWHGTPQ-KRWDZBQOSA-N 0 2 360.458 0.271 10 0 FCAELN CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662200829 493495130 /nfs/dbraw/zinc/49/51/30/493495130.db2.gz LXGWULUITYQMHI-LBPRGKRZSA-N 0 2 351.428 0.964 10 0 FCAELN CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662200829 493495133 /nfs/dbraw/zinc/49/51/33/493495133.db2.gz LXGWULUITYQMHI-LBPRGKRZSA-N 0 2 351.428 0.964 10 0 FCAELN COc1ccc(F)cc1CN1CC[NH+]([C@@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC000662206637 493495685 /nfs/dbraw/zinc/49/56/85/493495685.db2.gz RRBZPUVGEJRRKZ-OAHLLOKOSA-N 0 2 365.405 0.637 10 0 FCAELN COc1cc(F)ccc1N1CC[NH+]([C@H]2CCN(CC(=O)[O-])C2=O)CC1 ZINC000662205928 493496011 /nfs/dbraw/zinc/49/60/11/493496011.db2.gz OFSCAIIDWWKSNR-AWEZNQCLSA-N 0 2 351.378 0.642 10 0 FCAELN C[N@H+]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)[C@@H](C[NH3+])C1 ZINC000669569648 493511519 /nfs/dbraw/zinc/51/15/19/493511519.db2.gz DPJGQIRBDQPQNO-HOTGVXAUSA-N 0 2 363.437 0.211 10 0 FCAELN O=C([O-])c1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)c(F)c1 ZINC000663426138 493588454 /nfs/dbraw/zinc/58/84/54/493588454.db2.gz KZMQOLILCVANFN-UHFFFAOYSA-N 0 2 360.407 0.666 10 0 FCAELN CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000664205738 493644517 /nfs/dbraw/zinc/64/45/17/493644517.db2.gz VLVYXAPMUFJHPP-MGPQQGTHSA-N 0 2 374.507 0.740 10 0 FCAELN C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000665324132 493709414 /nfs/dbraw/zinc/70/94/14/493709414.db2.gz MJXWWTXEZCXCGI-DOMZBBRYSA-N 0 2 366.462 0.482 10 0 FCAELN COCc1cc(OCC(=O)[O-])nc(N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000073710910 522937998 /nfs/dbraw/zinc/93/79/98/522937998.db2.gz VZAOALIANNXZRH-UHFFFAOYSA-N 0 2 359.386 0.808 10 0 FCAELN CCn1cnc(S(=O)(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c1 ZINC000439582913 536129125 /nfs/dbraw/zinc/12/91/25/536129125.db2.gz VJQZGVDPYZTKJZ-UHFFFAOYSA-N 0 2 360.399 0.988 10 0 FCAELN CCOC(=O)c1nc(NS(=O)(=O)C[C@H](OC)C2CCOCC2)c[nH]1 ZINC000592385198 546636296 /nfs/dbraw/zinc/63/62/96/546636296.db2.gz QXWPPVRYGJKHND-NSHDSACASA-N 0 2 361.420 0.770 10 0 FCAELN CCOC(=O)c1ncc(NS(=O)(=O)C[C@H](OC)C2CCOCC2)[nH]1 ZINC000592385198 546636299 /nfs/dbraw/zinc/63/62/99/546636299.db2.gz QXWPPVRYGJKHND-NSHDSACASA-N 0 2 361.420 0.770 10 0 FCAELN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ncn(CC(=O)OC(C)(C)C)n1 ZINC000592383873 546636740 /nfs/dbraw/zinc/63/67/40/546636740.db2.gz OBYZHAOYCVOKDN-UHFFFAOYSA-N 0 2 370.435 0.771 10 0 FCAELN O=C(N=c1nc(-c2ccccc2)[nH]s1)C(=O)N1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593726993 546745562 /nfs/dbraw/zinc/74/55/62/546745562.db2.gz UHWMHYODLBBYMR-MAXLSHCHSA-N 0 2 362.436 0.297 10 0 FCAELN CCOC(=O)c1cn(C)nc1NS(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 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CCCS(=O)(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ncc1F)C2 ZINC001719931358 1191220489 /nfs/dbraw/zinc/22/04/89/1191220489.db2.gz AIXASCQAJBZQPI-JLLWLGSASA-N 0 2 372.422 0.235 10 0 FCAELN O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCC[C@H]1COc2ccccc2O1 ZINC000766570449 1199042982 /nfs/dbraw/zinc/04/29/82/1199042982.db2.gz HCAMNSZZRSPVEZ-NSHDSACASA-N 0 2 355.354 0.418 10 0 FCAELN CN1CC[N@H+](CCCNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](c2ccccc2)C1 ZINC001136202199 1203152293 /nfs/dbraw/zinc/15/22/93/1203152293.db2.gz JXKAPKQPINCWNG-OAHLLOKOSA-N 0 2 374.445 0.184 10 0 FCAELN CN1CC[N@@H+](CCCNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](c2ccccc2)C1 ZINC001136202199 1203152303 /nfs/dbraw/zinc/15/23/03/1203152303.db2.gz JXKAPKQPINCWNG-OAHLLOKOSA-N 0 2 374.445 0.184 10 0 FCAELN C[N@@H+]1CCN(CCCNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](c2ccccc2)C1 ZINC001136202199 1203152308 /nfs/dbraw/zinc/15/23/08/1203152308.db2.gz JXKAPKQPINCWNG-OAHLLOKOSA-N 0 2 374.445 0.184 10 0 FCAELN C[N@H+]1CCN(CCCNC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](c2ccccc2)C1 ZINC001136202199 1203152313 /nfs/dbraw/zinc/15/23/13/1203152313.db2.gz JXKAPKQPINCWNG-OAHLLOKOSA-N 0 2 374.445 0.184 10 0 FCAELN CC(=O)Nc1cccc2c1CN(Cc1cc(=O)n3[nH]c(N)nc3n1)CC2 ZINC001175277032 1206302450 /nfs/dbraw/zinc/30/24/50/1206302450.db2.gz OYJAZBPFYRAOLN-UHFFFAOYSA-N 0 2 353.386 0.517 10 0 FCAELN CCc1ccccc1N1CC(=O)C(C(=O)N[C@@]2(C(=O)OC)C[C@@H](O)C2)=N1 ZINC001175642305 1206306486 /nfs/dbraw/zinc/30/64/86/1206306486.db2.gz WNFGZHJMBGGTGA-HEHXSTRBSA-N 0 2 359.382 0.937 10 0 FCAELN O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCc1c[nH]c(=O)c2ccccc12 ZINC001178115454 1206352866 /nfs/dbraw/zinc/35/28/66/1206352866.db2.gz ZITWQZWHNIPZCX-UHFFFAOYSA-N 0 2 350.338 0.641 10 0 FCAELN COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC000775361261 1207656431 /nfs/dbraw/zinc/65/64/31/1207656431.db2.gz HYNXWQIWJIVMSO-WDEREUQCSA-N 0 2 362.390 0.054 10 0 FCAELN COc1cccc(OCC(=O)N[C@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)[C@@H]2C)c1 ZINC001489291033 1208721575 /nfs/dbraw/zinc/72/15/75/1208721575.db2.gz RZGGERGQOKPYIN-RISCZKNCSA-N 0 2 361.402 0.677 10 0 FCAELN COc1cccc(OCC(=O)N[C@H]2CC[N@@H+](Cc3n[nH]c(=O)[n-]3)[C@@H]2C)c1 ZINC001489291033 1208721580 /nfs/dbraw/zinc/72/15/80/1208721580.db2.gz RZGGERGQOKPYIN-RISCZKNCSA-N 0 2 361.402 0.677 10 0 FCAELN Cc1cc(C)nc(C(=O)N2C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C2)c1 ZINC001489588478 1209007381 /nfs/dbraw/zinc/00/73/81/1209007381.db2.gz WHFUPEHXGVZYDR-GRYCIOLGSA-N 0 2 363.311 0.900 10 0 FCAELN Cc1cc(C)nc(C(=O)N2C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)[C@@H](O)C2)c1 ZINC001489588478 1209007384 /nfs/dbraw/zinc/00/73/84/1209007384.db2.gz WHFUPEHXGVZYDR-GRYCIOLGSA-N 0 2 363.311 0.900 10 0 FCAELN O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000855843881 1209682695 /nfs/dbraw/zinc/68/26/95/1209682695.db2.gz IYTKQYPYQITBJU-CQSZACIVSA-N 0 2 357.345 0.810 10 0 FCAELN CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCCN(C)C2=O)C1 ZINC000856328791 1209704475 /nfs/dbraw/zinc/70/44/75/1209704475.db2.gz SYWUGXBSXXUIIN-MSOLQXFVSA-N 0 2 358.486 0.787 10 0 FCAELN CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CCN2CCOC2=O)C1 ZINC000856327404 1209704913 /nfs/dbraw/zinc/70/49/13/1209704913.db2.gz ILGSFCVNHWOGOM-KRWDZBQOSA-N 0 2 360.458 0.761 10 0 FCAELN CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000862301338 1209909529 /nfs/dbraw/zinc/90/95/29/1209909529.db2.gz FGSBLLDCXUMWBV-QGZVFWFLSA-N 0 2 361.402 0.794 10 0 FCAELN COC(=O)[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H]2CCC[C@@H]21 ZINC000863334902 1209939542 /nfs/dbraw/zinc/93/95/42/1209939542.db2.gz DLDVTIKUALQUOD-WZRBSPASSA-N 0 2 359.386 0.261 10 0 FCAELN CC[C@@]1(C(=O)[O-])CCCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000926284633 1211525897 /nfs/dbraw/zinc/52/58/97/1211525897.db2.gz NQJFXMBKCDFWTC-LJQANCHMSA-N 0 2 374.441 0.834 10 0 FCAELN COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000778838528 1211928953 /nfs/dbraw/zinc/92/89/53/1211928953.db2.gz WSWLKXZYODHQOO-GFCCVEGCSA-N 0 2 363.374 0.458 10 0 FCAELN NC(=O)C1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)C(F)C(F)(F)F)C2)CC1 ZINC001490915187 1219663517 /nfs/dbraw/zinc/66/35/17/1219663517.db2.gz OCAVRLYISKTXAI-FZNYLWTLSA-N 0 2 365.327 0.650 10 0 FCAELN NC(=O)C1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001490915187 1219663520 /nfs/dbraw/zinc/66/35/20/1219663520.db2.gz OCAVRLYISKTXAI-FZNYLWTLSA-N 0 2 365.327 0.650 10 0 FCAELN O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001137887611 1222445237 /nfs/dbraw/zinc/44/52/37/1222445237.db2.gz OQVXHQVVKBWPAQ-SJKOYZFVSA-N 0 2 360.370 0.334 10 0 FCAELN O=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001141718912 1222759862 /nfs/dbraw/zinc/75/98/62/1222759862.db2.gz OCCLNZDYBGAXCX-UHFFFAOYSA-N 0 2 365.349 0.804 10 0 FCAELN Cn1cc[nH+]c1C[C@@H](NC(=O)C(=O)[N-]OC[C@@H]1CCOC1)c1ccccc1 ZINC001328144618 1265490418 /nfs/dbraw/zinc/49/04/18/1265490418.db2.gz GYFUEUNXIFYMJM-GDBMZVCRSA-N 0 2 372.425 0.904 10 0 FCAELN COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001329208573 1265713393 /nfs/dbraw/zinc/71/33/93/1265713393.db2.gz SCNGRMUSNYMQPA-WHCBVINPSA-N 0 2 367.398 0.811 10 0 FCAELN COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001329208573 1265713403 /nfs/dbraw/zinc/71/34/03/1265713403.db2.gz SCNGRMUSNYMQPA-WHCBVINPSA-N 0 2 367.398 0.811 10 0 FCAELN O=C1CC[C@@H]2CN(c3nnc(-c4n[nH]c(Cl)n4)n3CC3CC3)CCN12 ZINC001519586115 1265735505 /nfs/dbraw/zinc/73/55/05/1265735505.db2.gz COGHRALHZAJRPX-SNVBAGLBSA-N 0 2 362.825 0.938 10 0 FCAELN CCn1ncc(C(=O)N2CC[C@H](NC(=O)C(F)C(F)(F)F)[C@H]2C)n1 ZINC001520764710 1265991393 /nfs/dbraw/zinc/99/13/93/1265991393.db2.gz BPDKQJFEUGUZEK-WEDXCCLWSA-N 0 2 351.304 0.918 10 0 FCAELN CCn1ncc(C(=O)N2CC[C@H](NC(=O)[C@H](F)C(F)(F)F)[C@H]2C)n1 ZINC001520764710 1265991403 /nfs/dbraw/zinc/99/14/03/1265991403.db2.gz BPDKQJFEUGUZEK-WEDXCCLWSA-N 0 2 351.304 0.918 10 0 FCAELN CCC[N@@H+](C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H]1C ZINC001520939969 1266045929 /nfs/dbraw/zinc/04/59/29/1266045929.db2.gz KQQROBPJFVOPNR-INMHGKMJSA-N 0 2 361.490 0.893 10 0 FCAELN CS(=O)(=O)Cc1nnc(CNC(=O)C2(Cc3ccc(O)cc3)CC2)[nH]1 ZINC001472084464 1261434074 /nfs/dbraw/zinc/43/40/74/1261434074.db2.gz CUERAAHPWXICCK-UHFFFAOYSA-N 0 2 364.427 0.694 10 0 FCAELN C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1nn(C)cc1O ZINC001472237718 1261453139 /nfs/dbraw/zinc/45/31/39/1261453139.db2.gz VICPAFNTQPXHEM-LLVKDONJSA-N 0 2 366.443 0.708 10 0 FCAELN O=C(Cn1[nH]cc2c(=O)ncnc1-2)NC/C=C\CNC(=O)[C@]12C[C@H]1CCC2 ZINC001285606913 1261859191 /nfs/dbraw/zinc/85/91/91/1261859191.db2.gz MRPBLHLFHJYHCS-DQKLHNPZSA-N 0 2 370.413 0.050 10 0 FCAELN COc1ccc(N2CC(=O)C(C(=O)NCC(=O)Nc3ccn(C)n3)=N2)cc1 ZINC001297230391 1262855413 /nfs/dbraw/zinc/85/54/13/1262855413.db2.gz ABQCCMYOLZEJQC-UHFFFAOYSA-N 0 2 370.369 0.689 10 0 FCAELN CN(CCCNC(=O)c1cccc(-n2[n-]nnc2=N)c1)c1cccc[nH+]1 ZINC001302976293 1263070485 /nfs/dbraw/zinc/07/04/85/1263070485.db2.gz PDEDWGSWDDGCPJ-UHFFFAOYSA-N 0 2 352.402 0.726 10 0 FCAELN C[C@@H]1C[C@H](CCNC(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CCO1 ZINC001478420898 1263131052 /nfs/dbraw/zinc/13/10/52/1263131052.db2.gz AJTDVVXSNIAFOW-GHMZBOCLSA-N 0 2 359.452 0.354 10 0 FCAELN C[C@H]1C[C@H](CCNC(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CCO1 ZINC001478420901 1263132602 /nfs/dbraw/zinc/13/26/02/1263132602.db2.gz AJTDVVXSNIAFOW-WDEREUQCSA-N 0 2 359.452 0.354 10 0 FCAELN CNC(=O)[C@@H]1CCN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC001478476348 1263135469 /nfs/dbraw/zinc/13/54/69/1263135469.db2.gz UUZQJOXEFTXQBM-GFCCVEGCSA-N 0 2 358.402 0.661 10 0 FCAELN CNC(=O)[C@H]1CCN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC001478476349 1263135658 /nfs/dbraw/zinc/13/56/58/1263135658.db2.gz UUZQJOXEFTXQBM-LBPRGKRZSA-N 0 2 358.402 0.661 10 0 FCAELN CS(=O)(=O)Cc1nnc(CNC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)[nH]1 ZINC001478898630 1263153042 /nfs/dbraw/zinc/15/30/42/1263153042.db2.gz FTTWAEYCCGRXCG-SMDDNHRTSA-N 0 2 371.463 0.496 10 0 FCAELN CCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001317767841 1263520734 /nfs/dbraw/zinc/52/07/34/1263520734.db2.gz VSKCIUWIDFURPT-FRRDWIJNSA-N 0 2 364.450 0.225 10 0 FCAELN CCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001317767841 1263520743 /nfs/dbraw/zinc/52/07/43/1263520743.db2.gz VSKCIUWIDFURPT-FRRDWIJNSA-N 0 2 364.450 0.225 10 0 FCAELN O=C(NCC[C@H]1CCOC1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC001324453513 1264648288 /nfs/dbraw/zinc/64/82/88/1264648288.db2.gz DARDOCBMDVOAFY-ZDUSSCGKSA-N 0 2 373.413 0.543 10 0 FCAELN CO[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001513386636 1265083175 /nfs/dbraw/zinc/08/31/75/1265083175.db2.gz ZNVCJKUFPSJZSH-OPRDCNLKSA-N 0 2 350.272 0.333 10 0 FCAELN CO[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC001513386636 1265083182 /nfs/dbraw/zinc/08/31/82/1265083182.db2.gz ZNVCJKUFPSJZSH-OPRDCNLKSA-N 0 2 350.272 0.333 10 0 FCAELN CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C(F)C(F)(F)F)C1 ZINC001522372483 1266523497 /nfs/dbraw/zinc/52/34/97/1266523497.db2.gz RHTVVYRYFZSKRB-GAFUQQFSSA-N 0 2 353.316 0.520 10 0 FCAELN CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001522372483 1266523500 /nfs/dbraw/zinc/52/35/00/1266523500.db2.gz RHTVVYRYFZSKRB-GAFUQQFSSA-N 0 2 353.316 0.520 10 0 FCAELN C[NH+]1CCCC[C@H]1CNC(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001528037758 1266940133 /nfs/dbraw/zinc/94/01/33/1266940133.db2.gz PZEIAGFTNDTUSQ-MAUKXSAKSA-N 0 2 354.495 0.386 10 0 FCAELN CC[C@@H](CNC(=O)[C@@H]1C[C@H]1CC)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001531508435 1267137861 /nfs/dbraw/zinc/13/78/61/1267137861.db2.gz BFVZAUNCIDCYDM-GRYCIOLGSA-N 0 2 360.418 0.128 10 0 FCAELN O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCc1ccc2c(c1)OC(F)(F)O2 ZINC001537329028 1267366127 /nfs/dbraw/zinc/36/61/27/1267366127.db2.gz HFOPTVWISYZIEK-UHFFFAOYSA-N 0 2 363.280 0.709 10 0 FCAELN CC(=O)Nc1ccc(OC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c(F)c1F ZINC001540099663 1267440688 /nfs/dbraw/zinc/44/06/88/1267440688.db2.gz FSEVXELBRDYEEU-UHFFFAOYSA-N 0 2 363.280 0.913 10 0 FCAELN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001543415988 1267548023 /nfs/dbraw/zinc/54/80/23/1267548023.db2.gz AJWHPWIBOWBABY-ZJUUUORDSA-N 0 2 368.415 0.160 10 0 FCAELN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001543415986 1267548144 /nfs/dbraw/zinc/54/81/44/1267548144.db2.gz AJWHPWIBOWBABY-UWVGGRQHSA-N 0 2 368.415 0.160 10 0 FCAELN Cc1nn(C)c(N2CCC2)c1NC(=O)c1cc(S(N)(=O)=O)ccc1O ZINC001557738205 1268973153 /nfs/dbraw/zinc/97/31/53/1268973153.db2.gz RBAPNZIXEOTRCA-UHFFFAOYSA-N 0 2 365.415 0.544 10 0 FCAELN O=C(CCCn1cccn1)N1C[C@@H](O)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001341492610 1269029562 /nfs/dbraw/zinc/02/95/62/1269029562.db2.gz QOMKUDCGCIPLDK-FOGDFJRCSA-N 0 2 366.315 0.252 10 0 FCAELN O=C(CCCn1cccn1)N1C[C@@H](O)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001341492610 1269029572 /nfs/dbraw/zinc/02/95/72/1269029572.db2.gz QOMKUDCGCIPLDK-FOGDFJRCSA-N 0 2 366.315 0.252 10 0 FCAELN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001558315637 1269064958 /nfs/dbraw/zinc/06/49/58/1269064958.db2.gz AZKXUNTWZRPBGZ-GFCCVEGCSA-N 0 2 360.345 0.040 10 0 FCAELN NS(=O)(=O)C1(CNC(=O)C2=NN(c3ccccc3)CC2=O)CCC1 ZINC001558388484 1269081743 /nfs/dbraw/zinc/08/17/43/1269081743.db2.gz BACDZRQSWYLKBN-UHFFFAOYSA-N 0 2 350.400 0.519 10 0 FCAELN Cc1ccccc1-n1cc(C(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)cn1 ZINC001558550272 1269108768 /nfs/dbraw/zinc/10/87/68/1269108768.db2.gz AAQCAVRLPIOMJH-UHFFFAOYSA-N 0 2 374.426 0.773 10 0 FCAELN COCCCC(=O)Nc1cccc(S(=O)(=O)Nc2nnn(C)n2)c1 ZINC001558577265 1269116050 /nfs/dbraw/zinc/11/60/50/1269116050.db2.gz HAFABLQWDGEQCN-UHFFFAOYSA-N 0 2 354.392 0.376 10 0 FCAELN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC3(C2)NC(=O)NC3=O)=N1 ZINC001558793631 1269141327 /nfs/dbraw/zinc/14/13/27/1269141327.db2.gz GKTJJAMSLIYGQR-UHFFFAOYSA-N 0 2 359.317 0.059 10 0 FCAELN CS(=O)(=O)Cc1nnc(CNC(=O)NCc2cccc3ncccc23)[nH]1 ZINC001565306714 1269462457 /nfs/dbraw/zinc/46/24/57/1269462457.db2.gz BVSLXNWLRWMXLA-UHFFFAOYSA-N 0 2 374.426 0.897 10 0 FCAELN CS(=O)(=O)Cc1nnc(CNC(=O)N2CCOC[C@H]2CC2CC2)[nH]1 ZINC001565404306 1269470285 /nfs/dbraw/zinc/47/02/85/1269470285.db2.gz VDMXFMOEHJWFGL-LLVKDONJSA-N 0 2 357.436 0.060 10 0 FCAELN CN(C[C@H]1CCCC[C@@H]1O)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001565403882 1269470617 /nfs/dbraw/zinc/47/06/17/1269470617.db2.gz KCZSJWSBZNOZPU-MNOVXSKESA-N 0 2 359.452 0.042 10 0 FCAELN CS(=O)(=O)Cc1nnc(CNC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)[nH]1 ZINC001565403421 1269470666 /nfs/dbraw/zinc/47/06/66/1269470666.db2.gz ATKHUCREZVUQEW-BXUZGUMPSA-N 0 2 353.448 0.679 10 0 FCAELN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CC(=O)N1 ZINC001566175472 1269620234 /nfs/dbraw/zinc/62/02/34/1269620234.db2.gz MKFQFCSILAZLIK-JTQLQIEISA-N 0 2 352.397 0.771 10 0 FCAELN O=C(NC[C@]1(O)CCc2ccccc21)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001566680451 1269656611 /nfs/dbraw/zinc/65/66/11/1269656611.db2.gz CNRYNEXGXQIXCW-LJQANCHMSA-N 0 2 366.377 0.830 10 0 FCAELN O=C(NC[C@@]1(O)CCc2ccccc21)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001566680450 1269656751 /nfs/dbraw/zinc/65/67/51/1269656751.db2.gz CNRYNEXGXQIXCW-IBGZPJMESA-N 0 2 366.377 0.830 10 0 FCAELN Cn1ncc2cc(S(=O)(=O)Nc3cnn(-c4ncccn4)c3)cnc21 ZINC001342995779 1269719519 /nfs/dbraw/zinc/71/95/19/1269719519.db2.gz XRJNNBODFRFPRC-UHFFFAOYSA-N 0 2 356.371 0.745 10 0 FCAELN C[C@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568997789 1269757820 /nfs/dbraw/zinc/75/78/20/1269757820.db2.gz KAKFKHVTFGIZRH-IJLUTSLNSA-N 0 2 364.450 0.232 10 0 FCAELN COCc1nc(CNC(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)cs1 ZINC001569874544 1269811806 /nfs/dbraw/zinc/81/18/06/1269811806.db2.gz WZINCCCLKDRZFO-UHFFFAOYSA-N 0 2 361.383 0.799 10 0 FCAELN C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1nc[nH]c(=O)c1Br ZINC001570456188 1269884891 /nfs/dbraw/zinc/88/48/91/1269884891.db2.gz GCGRQKKTLHVQFA-DTWKUNHWSA-N 0 2 359.224 0.472 10 0 FCAELN CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001344847083 1270257607 /nfs/dbraw/zinc/25/76/07/1270257607.db2.gz BUXSYHCGMBMVKF-BBWFWOEESA-N 0 2 366.506 0.297 10 0 FCAELN CO[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1NC(=O)C(F)C(F)(F)F ZINC001572953893 1270397569 /nfs/dbraw/zinc/39/75/69/1270397569.db2.gz SFPSAHLHPBKTKM-CKYFFXLPSA-N 0 2 366.315 0.434 10 0 FCAELN CO[C@@H]1CN(C(=O)Cn2cc(C)cn2)C[C@H]1NC(=O)[C@@H](F)C(F)(F)F ZINC001572953893 1270397579 /nfs/dbraw/zinc/39/75/79/1270397579.db2.gz SFPSAHLHPBKTKM-CKYFFXLPSA-N 0 2 366.315 0.434 10 0 FCAELN O=C(N[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@H]1O)C(F)C(F)(F)F ZINC001573001651 1270482984 /nfs/dbraw/zinc/48/29/84/1270482984.db2.gz BMXXPSWIYVTTGL-VWYCJHECSA-N 0 2 364.299 0.489 10 0 FCAELN O=C(N[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@H]1O)[C@H](F)C(F)(F)F ZINC001573001651 1270482989 /nfs/dbraw/zinc/48/29/89/1270482989.db2.gz BMXXPSWIYVTTGL-VWYCJHECSA-N 0 2 364.299 0.489 10 0 FCAELN Cc1cnc(C(=O)N2C[C@@H](NC(=O)C(F)C(F)(F)F)[C@@H](O)C2)cc1C ZINC001573001883 1270483069 /nfs/dbraw/zinc/48/30/69/1270483069.db2.gz KDXVNWYGZXIOPP-WOPDTQHZSA-N 0 2 363.311 0.900 10 0 FCAELN Cc1cnc(C(=O)N2C[C@@H](NC(=O)[C@H](F)C(F)(F)F)[C@@H](O)C2)cc1C ZINC001573001883 1270483072 /nfs/dbraw/zinc/48/30/72/1270483072.db2.gz KDXVNWYGZXIOPP-WOPDTQHZSA-N 0 2 363.311 0.900 10 0 FCAELN O=C(N[C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@@H]1O)C(F)C(F)(F)F ZINC001573002792 1270484812 /nfs/dbraw/zinc/48/48/12/1270484812.db2.gz YBMBGPVNUXHLQH-OUAUKWLOSA-N 0 2 364.299 0.031 10 0 FCAELN O=C(N[C@@H]1CN(C(=O)c2cc3n(n2)CCC3)C[C@@H]1O)[C@@H](F)C(F)(F)F ZINC001573002792 1270484814 /nfs/dbraw/zinc/48/48/14/1270484814.db2.gz YBMBGPVNUXHLQH-OUAUKWLOSA-N 0 2 364.299 0.031 10 0 FCAELN CNC(=O)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)C(F)C(F)(F)F ZINC001573232249 1270698294 /nfs/dbraw/zinc/69/82/94/1270698294.db2.gz PTXIUQDQYXRQNP-PTRXPTGYSA-N 0 2 355.332 0.766 10 0 FCAELN CNC(=O)CC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)[C@H](F)C(F)(F)F ZINC001573232249 1270698307 /nfs/dbraw/zinc/69/83/07/1270698307.db2.gz PTXIUQDQYXRQNP-PTRXPTGYSA-N 0 2 355.332 0.766 10 0 FCAELN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C(F)C(F)(F)F)C2)C1 ZINC001578844688 1276365433 /nfs/dbraw/zinc/36/54/33/1276365433.db2.gz HFGLZBUIZGBHNC-MQIGXGKASA-N 0 2 353.316 0.552 10 0 FCAELN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001578844688 1276365437 /nfs/dbraw/zinc/36/54/37/1276365437.db2.gz HFGLZBUIZGBHNC-MQIGXGKASA-N 0 2 353.316 0.552 10 0 FCAELN CC(C)(C)OC(=O)NCCNC(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001583745346 1282108143 /nfs/dbraw/zinc/10/81/43/1282108143.db2.gz GPUODXRTDCKAFA-UHFFFAOYSA-N 0 2 363.374 0.521 10 0 FCAELN O=C(N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1)C1=C2CCCN=C2NN1 ZINC001631929791 1282138742 /nfs/dbraw/zinc/13/87/42/1282138742.db2.gz RRSNLGPWCZKCJW-LBPRGKRZSA-N 0 2 353.386 0.465 10 0 FCAELN O=C(c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1)N1CCC[C@H](C2OCCO2)C1 ZINC001584549705 1282158760 /nfs/dbraw/zinc/15/87/60/1282158760.db2.gz UTQREYYKYUGEIV-LBPRGKRZSA-N 0 2 360.370 0.491 10 0 FCAELN CSCc1nc(CNC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)n[nH]1 ZINC001584525090 1282158848 /nfs/dbraw/zinc/15/88/48/1282158848.db2.gz ODHCGGPCLKLMRX-UHFFFAOYSA-N 0 2 361.431 0.892 10 0 FCAELN CSCc1n[nH]c(CNC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)n1 ZINC001584525090 1282158855 /nfs/dbraw/zinc/15/88/55/1282158855.db2.gz ODHCGGPCLKLMRX-UHFFFAOYSA-N 0 2 361.431 0.892 10 0 FCAELN CSCc1nnc(CNC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)[nH]1 ZINC001584525090 1282158858 /nfs/dbraw/zinc/15/88/58/1282158858.db2.gz ODHCGGPCLKLMRX-UHFFFAOYSA-N 0 2 361.431 0.892 10 0 FCAELN O=C(c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1)N1CC[C@H](Cn2ccnn2)C1 ZINC001632630993 1282193188 /nfs/dbraw/zinc/19/31/88/1282193188.db2.gz FGRFXJBDMXEPKQ-NSHDSACASA-N 0 2 355.358 0.020 10 0 FCAELN Cc1[nH][nH]c(=O)c1CCNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001585163742 1282206907 /nfs/dbraw/zinc/20/69/07/1282206907.db2.gz QIYVCKZMVGRPAO-VIFPVBQESA-N 0 2 360.292 0.700 10 0 FCAELN CCc1ccccc1N1CC(=O)C(C(=O)N2CC[C@](O)(C(=O)OC)C2)=N1 ZINC001633144060 1282230536 /nfs/dbraw/zinc/23/05/36/1282230536.db2.gz IALXGKJTEQSPSR-GOSISDBHSA-N 0 2 359.382 0.890 10 0 FCAELN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCN(c2nccnn2)CC1 ZINC001585520387 1282232124 /nfs/dbraw/zinc/23/21/24/1282232124.db2.gz MTBMOAOWQDALRY-UHFFFAOYSA-N 0 2 369.360 0.864 10 0 FCAELN Cc1nc(C(=O)Nc2nccc(Br)c2O)nn1-c1nc[nH]n1 ZINC001586414691 1282294663 /nfs/dbraw/zinc/29/46/63/1282294663.db2.gz CNOZVCVLVKGTMU-UHFFFAOYSA-N 0 2 365.151 0.809 10 0 FCAELN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001634446534 1282330696 /nfs/dbraw/zinc/33/06/96/1282330696.db2.gz PFHYILANDKWOGM-AAEUAGOBSA-N 0 2 357.370 0.698 10 0 FCAELN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1n[nH]c(=S)o1 ZINC001634590875 1282337742 /nfs/dbraw/zinc/33/77/42/1282337742.db2.gz IWZYDWFETIWZCM-SNVBAGLBSA-N 0 2 362.477 0.611 10 0 FCAELN O=C(C[C@H]1CS(=O)(=O)c2ccccc2O1)NCCc1n[nH]c(=S)o1 ZINC001634591321 1282338049 /nfs/dbraw/zinc/33/80/49/1282338049.db2.gz ZQAFXMFGQWUKFV-VIFPVBQESA-N 0 2 369.424 0.642 10 0 FCAELN O=C(c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1)N1CCO[C@]2(CCCOC2)C1 ZINC001635179659 1282385623 /nfs/dbraw/zinc/38/56/23/1282385623.db2.gz YGYQZTBDGSFRIL-QGZVFWFLSA-N 0 2 360.370 0.288 10 0 FCAELN CC(C)[C@H]1C[C@@H](CNC(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)CCO1 ZINC001635408988 1282403638 /nfs/dbraw/zinc/40/36/38/1282403638.db2.gz XNUYOJMXZPSRTG-NWDGAFQWSA-N 0 2 373.479 0.600 10 0 FCAELN CON(C(=O)Cn1[nH]cc2c(=O)ncnc1-2)[C@H](C)C(=O)OC(C)(C)C ZINC001635962294 1282445629 /nfs/dbraw/zinc/44/56/29/1282445629.db2.gz XRBBOVYBNCFNAZ-SECBINFHSA-N 0 2 351.363 0.191 10 0 FCAELN C[C@]1(CCNC(=O)NCc2nnc(CS(C)(=O)=O)[nH]2)C[C@]1(F)Cl ZINC001636615940 1282522503 /nfs/dbraw/zinc/52/25/03/1282522503.db2.gz SYOHUTHQQYEKBA-NWDGAFQWSA-N 0 2 367.834 0.853 10 0 FCAELN CC(C)(C)N1CC[C@H](NC(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)C1=O ZINC001638962408 1282735760 /nfs/dbraw/zinc/73/57/60/1282735760.db2.gz WGIJAHORWGZONL-LBPRGKRZSA-N 0 2 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1292801317 /nfs/dbraw/zinc/80/13/17/1292801317.db2.gz NALFCWKIVVORIS-HNCHTBHHSA-N 0 2 367.343 0.467 10 0 FCAELN O=C(CN1CCOCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2 ZINC001686180246 1292801328 /nfs/dbraw/zinc/80/13/28/1292801328.db2.gz NALFCWKIVVORIS-HNCHTBHHSA-N 0 2 367.343 0.467 10 0 FCAELN CN(C)C(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)C(F)(F)F)C2 ZINC001686181030 1292802222 /nfs/dbraw/zinc/80/22/22/1292802222.db2.gz WOXXIGQFLUBOCI-KZFFXBSXSA-N 0 2 353.316 0.613 10 0 FCAELN CN(C)C(=O)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2 ZINC001686181030 1292802236 /nfs/dbraw/zinc/80/22/36/1292802236.db2.gz WOXXIGQFLUBOCI-KZFFXBSXSA-N 0 2 353.316 0.613 10 0 FCAELN CS(=O)(=O)Cc1nnc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)S3)[nH]1 ZINC001687718087 1293003155 /nfs/dbraw/zinc/00/31/55/1293003155.db2.gz QRGUEVPIUVZLEC-PBINXNQUSA-N 0 2 359.477 0.575 10 0 FCAELN CS(=O)(=O)Cc1nnc(CNC(=O)N2CCCCC[C@@H]2CCO)[nH]1 ZINC001687716617 1293004074 /nfs/dbraw/zinc/00/40/74/1293004074.db2.gz XYMQJPIUXCKHBY-LLVKDONJSA-N 0 2 359.452 0.186 10 0 FCAELN