smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(-c2cc(C(=O)N3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)n[nH]2)c1 ZINC000161200720 525054615 /nfs/dbraw/zinc/05/46/15/525054615.db2.gz KCTYEWXZAQXBNF-ZIAGYGMSSA-N 1 2 358.442 1.612 10 70 FDIELO COc1cccc(-c2cc(C(=O)N3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)n[nH]2)c1 ZINC000161200720 525054622 /nfs/dbraw/zinc/05/46/22/525054622.db2.gz KCTYEWXZAQXBNF-ZIAGYGMSSA-N 1 2 358.442 1.612 10 70 FDIELO COC(=O)CNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161067822 525025995 /nfs/dbraw/zinc/02/59/95/525025995.db2.gz KTXOCHYXBHQJRH-QWHCGFSZSA-N 1 2 360.332 1.102 10 70 FDIELO COC(=O)CNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161067822 525026000 /nfs/dbraw/zinc/02/60/00/525026000.db2.gz KTXOCHYXBHQJRH-QWHCGFSZSA-N 1 2 360.332 1.102 10 70 FDIELO COCCCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161113780 525036726 /nfs/dbraw/zinc/03/67/26/525036726.db2.gz YOXTWHXPELRZCQ-HUUCEWRRSA-N 1 2 360.376 1.966 10 70 FDIELO COCCCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161113780 525036736 /nfs/dbraw/zinc/03/67/36/525036736.db2.gz YOXTWHXPELRZCQ-HUUCEWRRSA-N 1 2 360.376 1.966 10 70 FDIELO CCOCCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161158315 525045206 /nfs/dbraw/zinc/04/52/06/525045206.db2.gz IXUIGWUPUIGWLB-HUUCEWRRSA-N 1 2 360.376 1.966 10 70 FDIELO CCOCCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161158315 525045211 /nfs/dbraw/zinc/04/52/11/525045211.db2.gz IXUIGWUPUIGWLB-HUUCEWRRSA-N 1 2 360.376 1.966 10 70 FDIELO COC(=O)[C@H](c1cccnc1)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000159949993 524774621 /nfs/dbraw/zinc/77/46/21/524774621.db2.gz DDJBSOHDUSJHCR-SFHVURJKSA-N 1 2 357.458 1.464 10 70 FDIELO O=C([C@@H]1CCn2ccnc2C1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000161447892 525110954 /nfs/dbraw/zinc/11/09/54/525110954.db2.gz TZDJBEVAOAJOAU-QZTJIDSGSA-N 1 2 354.454 1.323 10 70 FDIELO O=C(N[C@H]1CCc2ncnn2C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000161343163 525084778 /nfs/dbraw/zinc/08/47/78/525084778.db2.gz NDMVFZVOTYVCOO-UKTKYZJWSA-N 1 2 366.469 1.634 10 70 FDIELO CCOc1cc(C)nc(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)n1 ZINC000161449880 525110679 /nfs/dbraw/zinc/11/06/79/525110679.db2.gz RETZAFBTSUFAQG-HNNXBMFYSA-N 1 2 370.457 1.291 10 70 FDIELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cnc(Cl)cc2C)C[C@H]1C ZINC000160362917 524868205 /nfs/dbraw/zinc/86/82/05/524868205.db2.gz UBKOWQJKEIERGP-GFCCVEGCSA-N 1 2 354.838 1.161 10 70 FDIELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cnc(Cl)cc2C)C[C@H]1C ZINC000160362917 524868216 /nfs/dbraw/zinc/86/82/16/524868216.db2.gz UBKOWQJKEIERGP-GFCCVEGCSA-N 1 2 354.838 1.161 10 70 FDIELO CCOCCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161158458 525045524 /nfs/dbraw/zinc/04/55/24/525045524.db2.gz IXUIGWUPUIGWLB-LSDHHAIUSA-N 1 2 360.376 1.966 10 70 FDIELO CCOCCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161158458 525045533 /nfs/dbraw/zinc/04/55/33/525045533.db2.gz IXUIGWUPUIGWLB-LSDHHAIUSA-N 1 2 360.376 1.966 10 70 FDIELO CCc1nc2n(n1)C[C@@H](NC(=O)N1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000160232500 173704022 /nfs/dbraw/zinc/70/40/22/173704022.db2.gz QJBSJYMTSWEQMM-INIZCTEOSA-N 1 2 369.473 1.078 10 70 FDIELO O=C(Nc1ccccc1C[NH+]1CCOCC1)N[C@H]1CCc2ncnn2C1 ZINC000160923837 173725584 /nfs/dbraw/zinc/72/55/84/173725584.db2.gz URIRWQQKCQQNCB-HNNXBMFYSA-N 1 2 356.430 1.247 10 70 FDIELO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000159579927 524701799 /nfs/dbraw/zinc/70/17/99/524701799.db2.gz ALLCQKPIPWSZCZ-XLIONFOSSA-N 1 2 374.485 1.755 10 70 FDIELO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000159699285 524722256 /nfs/dbraw/zinc/72/22/56/524722256.db2.gz HSTZPUAPDBHNLF-UHFFFAOYSA-N 1 2 354.414 1.531 10 70 FDIELO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1nnc2n1CCCC2 ZINC000160777256 524969063 /nfs/dbraw/zinc/96/90/63/524969063.db2.gz MSYUZDLBBXGSHK-OAHLLOKOSA-N 1 2 369.473 1.598 10 70 FDIELO CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)s1 ZINC000160993209 525013603 /nfs/dbraw/zinc/01/36/03/525013603.db2.gz WUCZLVULNDTHMH-CQSZACIVSA-N 1 2 374.514 1.744 10 70 FDIELO COC(=O)CNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161067715 525027094 /nfs/dbraw/zinc/02/70/94/525027094.db2.gz KTXOCHYXBHQJRH-CHWSQXEVSA-N 1 2 360.332 1.102 10 70 FDIELO COC(=O)CNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161067715 525027106 /nfs/dbraw/zinc/02/71/06/525027106.db2.gz KTXOCHYXBHQJRH-CHWSQXEVSA-N 1 2 360.332 1.102 10 70 FDIELO COc1cccc(-c2cc(C(=O)N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)n[nH]2)c1 ZINC000161200845 525053837 /nfs/dbraw/zinc/05/38/37/525053837.db2.gz KCTYEWXZAQXBNF-UONOGXRCSA-N 1 2 358.442 1.612 10 70 FDIELO COc1cccc(-c2cc(C(=O)N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)n[nH]2)c1 ZINC000161200845 525053846 /nfs/dbraw/zinc/05/38/46/525053846.db2.gz KCTYEWXZAQXBNF-UONOGXRCSA-N 1 2 358.442 1.612 10 70 FDIELO O=C(NCCc1nnc(-c2ccccc2)o1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000160055817 524799102 /nfs/dbraw/zinc/79/91/02/524799102.db2.gz UONNGFKECOPYKM-MRXNPFEDSA-N 1 2 371.441 1.395 10 70 FDIELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2cnc(Cl)cc2C)C[C@@H]1C ZINC000160363057 524869216 /nfs/dbraw/zinc/86/92/16/524869216.db2.gz UBKOWQJKEIERGP-LBPRGKRZSA-N 1 2 354.838 1.161 10 70 FDIELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2cnc(Cl)cc2C)C[C@@H]1C ZINC000160363057 524869225 /nfs/dbraw/zinc/86/92/25/524869225.db2.gz UBKOWQJKEIERGP-LBPRGKRZSA-N 1 2 354.838 1.161 10 70 FDIELO CCc1n[nH]c(=O)c(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1CC ZINC000160471163 524896565 /nfs/dbraw/zinc/89/65/65/524896565.db2.gz PALLMDQKLJZWAF-CYBMUJFWSA-N 1 2 358.446 1.465 10 70 FDIELO COC(=O)CCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160985772 525010674 /nfs/dbraw/zinc/01/06/74/525010674.db2.gz BXTFEDASOZTOQU-ZIAGYGMSSA-N 1 2 374.359 1.492 10 70 FDIELO COC(=O)CCNC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160985772 525010682 /nfs/dbraw/zinc/01/06/82/525010682.db2.gz BXTFEDASOZTOQU-ZIAGYGMSSA-N 1 2 374.359 1.492 10 70 FDIELO CNC(=O)COc1cccc(CC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000160094640 524806555 /nfs/dbraw/zinc/80/65/55/524806555.db2.gz OUKLIUSEEDVEMZ-MRXNPFEDSA-N 1 2 356.426 1.242 10 70 FDIELO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000159580072 524702054 /nfs/dbraw/zinc/70/20/54/524702054.db2.gz ALLCQKPIPWSZCZ-FXAWDEMLSA-N 1 2 374.485 1.755 10 70 FDIELO COc1ccc(Br)c(CC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000159588067 524704319 /nfs/dbraw/zinc/70/43/19/524704319.db2.gz NECMGRQDELWAJV-CYBMUJFWSA-N 1 2 357.248 1.447 10 70 FDIELO COc1ccc(Br)c(CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000159588067 524704325 /nfs/dbraw/zinc/70/43/25/524704325.db2.gz NECMGRQDELWAJV-CYBMUJFWSA-N 1 2 357.248 1.447 10 70 FDIELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)nc[nH+]1 ZINC000159771433 524735476 /nfs/dbraw/zinc/73/54/76/524735476.db2.gz WPQKOSIWTGKIIM-OAGGEKHMSA-N 1 2 374.489 1.744 10 70 FDIELO CNc1cc(N2CCC[C@@H]2CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)[nH+]cn1 ZINC000159771433 524735486 /nfs/dbraw/zinc/73/54/86/524735486.db2.gz WPQKOSIWTGKIIM-OAGGEKHMSA-N 1 2 374.489 1.744 10 70 FDIELO COCC[N@@H+]1CCN(C(=O)c2ccc(Br)c(O)c2)C[C@H]1C ZINC000160892175 524989965 /nfs/dbraw/zinc/98/99/65/524989965.db2.gz JVGFNGLIAZLFDS-LLVKDONJSA-N 1 2 357.248 1.947 10 70 FDIELO COCC[N@H+]1CCN(C(=O)c2ccc(Br)c(O)c2)C[C@H]1C ZINC000160892175 524989973 /nfs/dbraw/zinc/98/99/73/524989973.db2.gz JVGFNGLIAZLFDS-LLVKDONJSA-N 1 2 357.248 1.947 10 70 FDIELO CCN(C(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000160662390 524942730 /nfs/dbraw/zinc/94/27/30/524942730.db2.gz WXFLKBXRVZPEEE-BVIKNXMNSA-N 1 2 372.531 1.038 10 70 FDIELO CCN(C(=O)[C@H](C)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000160662390 524942740 /nfs/dbraw/zinc/94/27/40/524942740.db2.gz WXFLKBXRVZPEEE-BVIKNXMNSA-N 1 2 372.531 1.038 10 70 FDIELO CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160682356 524947051 /nfs/dbraw/zinc/94/70/51/524947051.db2.gz ODMYFXQURRRMQO-INIZCTEOSA-N 1 2 369.473 1.598 10 70 FDIELO O=C(Nc1ccccc1C[NH+]1CCOCC1)N[C@@H]1CCc2ncnn2C1 ZINC000160923718 524999189 /nfs/dbraw/zinc/99/91/89/524999189.db2.gz URIRWQQKCQQNCB-OAHLLOKOSA-N 1 2 356.430 1.247 10 70 FDIELO O[C@H](COCc1ccccc1)C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159486902 524682533 /nfs/dbraw/zinc/68/25/33/524682533.db2.gz PLOLSBWNVNQICD-FHWLQOOXSA-N 1 2 361.438 1.982 10 70 FDIELO O[C@H](COCc1ccccc1)C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159486902 524682545 /nfs/dbraw/zinc/68/25/45/524682545.db2.gz PLOLSBWNVNQICD-FHWLQOOXSA-N 1 2 361.438 1.982 10 70 FDIELO C[C@H](CNC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1)[NH+]1CCOCC1 ZINC000160229870 524836091 /nfs/dbraw/zinc/83/60/91/524836091.db2.gz ROYIQQOIYXBAIU-PMPSAXMXSA-N 1 2 351.447 1.598 10 70 FDIELO CCS(=O)(=O)c1cccc(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000159439620 524669897 /nfs/dbraw/zinc/66/98/97/524669897.db2.gz LRYLBYHDPZDOJH-INIZCTEOSA-N 1 2 350.484 1.719 10 70 FDIELO CCS(=O)(=O)c1cccc(CC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000159439620 524669904 /nfs/dbraw/zinc/66/99/04/524669904.db2.gz LRYLBYHDPZDOJH-INIZCTEOSA-N 1 2 350.484 1.719 10 70 FDIELO Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)o1 ZINC000159827974 524746299 /nfs/dbraw/zinc/74/62/99/524746299.db2.gz RLTXFRNPXWVZJV-CQSZACIVSA-N 1 2 372.425 1.944 10 70 FDIELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CCC(C)C)n2)C[C@@H]1C ZINC000160362179 524868292 /nfs/dbraw/zinc/86/82/92/524868292.db2.gz UGEVGCCNYQGMMD-HNNXBMFYSA-N 1 2 365.478 1.047 10 70 FDIELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CCC(C)C)n2)C[C@@H]1C ZINC000160362179 524868301 /nfs/dbraw/zinc/86/83/01/524868301.db2.gz UGEVGCCNYQGMMD-HNNXBMFYSA-N 1 2 365.478 1.047 10 70 FDIELO COCC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CCC(C)C)n2)C[C@H]1C ZINC000160362004 524868349 /nfs/dbraw/zinc/86/83/49/524868349.db2.gz UGEVGCCNYQGMMD-OAHLLOKOSA-N 1 2 365.478 1.047 10 70 FDIELO COCC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CCC(C)C)n2)C[C@H]1C ZINC000160362004 524868357 /nfs/dbraw/zinc/86/83/57/524868357.db2.gz UGEVGCCNYQGMMD-OAHLLOKOSA-N 1 2 365.478 1.047 10 70 FDIELO COCCCN(CC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160534695 524910748 /nfs/dbraw/zinc/91/07/48/524910748.db2.gz SQTYYWPDBLNOIH-GOSISDBHSA-N 1 2 372.506 1.783 10 70 FDIELO COCCCN(CC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160534695 524910756 /nfs/dbraw/zinc/91/07/56/524910756.db2.gz SQTYYWPDBLNOIH-GOSISDBHSA-N 1 2 372.506 1.783 10 70 FDIELO CNC(=O)[C@@H]1CCCN1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000159630650 524711350 /nfs/dbraw/zinc/71/13/50/524711350.db2.gz MYYBWHQQWHHPNI-KRWDZBQOSA-N 1 2 369.469 1.936 10 70 FDIELO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1nnc2n1CCCC2 ZINC000160777109 524967803 /nfs/dbraw/zinc/96/78/03/524967803.db2.gz MSYUZDLBBXGSHK-HNNXBMFYSA-N 1 2 369.473 1.598 10 70 FDIELO CCc1ncc(NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000161159624 525044937 /nfs/dbraw/zinc/04/49/37/525044937.db2.gz IKOQFOCJHHTGIB-KRWDZBQOSA-N 1 2 355.442 1.922 10 70 FDIELO CC(C)CCS(=O)(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000161478902 525116088 /nfs/dbraw/zinc/11/60/88/525116088.db2.gz HNTGIZALXOZOOB-KRWDZBQOSA-N 1 2 370.515 1.420 10 70 FDIELO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000159579805 524700846 /nfs/dbraw/zinc/70/08/46/524700846.db2.gz ALLCQKPIPWSZCZ-YLJYHZDGSA-N 1 2 374.485 1.755 10 70 FDIELO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCC[C@@H](NC(C)=O)C3)c2c1 ZINC000160607926 524928010 /nfs/dbraw/zinc/92/80/10/524928010.db2.gz CBFJIWSJIWWIEE-CQSZACIVSA-N 1 2 357.410 1.738 10 70 FDIELO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCC[C@@H](NC(C)=O)C3)c2c1 ZINC000160607926 524928020 /nfs/dbraw/zinc/92/80/20/524928020.db2.gz CBFJIWSJIWWIEE-CQSZACIVSA-N 1 2 357.410 1.738 10 70 FDIELO CC1(C)NC(=O)N(CCC[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)C1=O ZINC000160611088 524928630 /nfs/dbraw/zinc/92/86/30/524928630.db2.gz LSXUKVOSDAFRGI-CQSZACIVSA-N 1 2 374.489 1.862 10 70 FDIELO CC1(C)NC(=O)N(CCC[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)C1=O ZINC000160611088 524928641 /nfs/dbraw/zinc/92/86/41/524928641.db2.gz LSXUKVOSDAFRGI-CQSZACIVSA-N 1 2 374.489 1.862 10 70 FDIELO COCCN(CC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000161155333 525046173 /nfs/dbraw/zinc/04/61/73/525046173.db2.gz HMSWZAQNOSQBAZ-QGZVFWFLSA-N 1 2 358.479 1.393 10 70 FDIELO COCCN(CC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000161155333 525046185 /nfs/dbraw/zinc/04/61/85/525046185.db2.gz HMSWZAQNOSQBAZ-QGZVFWFLSA-N 1 2 358.479 1.393 10 70 FDIELO COCC[N@H+](CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000161155333 525046198 /nfs/dbraw/zinc/04/61/98/525046198.db2.gz HMSWZAQNOSQBAZ-QGZVFWFLSA-N 1 2 358.479 1.393 10 70 FDIELO COCC[N@@H+](CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000161155333 525046208 /nfs/dbraw/zinc/04/62/08/525046208.db2.gz HMSWZAQNOSQBAZ-QGZVFWFLSA-N 1 2 358.479 1.393 10 70 FDIELO Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)o1 ZINC000159828117 524747445 /nfs/dbraw/zinc/74/74/45/524747445.db2.gz RLTXFRNPXWVZJV-AWEZNQCLSA-N 1 2 372.425 1.944 10 70 FDIELO CCc1ncc(NC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cn1 ZINC000161163005 525045832 /nfs/dbraw/zinc/04/58/32/525045832.db2.gz MWTASDKIPLGCPC-UHFFFAOYSA-N 1 2 357.462 1.739 10 70 FDIELO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCC[C@H](NC(C)=O)C3)c2c1 ZINC000160608075 524926886 /nfs/dbraw/zinc/92/68/86/524926886.db2.gz CBFJIWSJIWWIEE-AWEZNQCLSA-N 1 2 357.410 1.738 10 70 FDIELO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCC[C@H](NC(C)=O)C3)c2c1 ZINC000160608075 524926892 /nfs/dbraw/zinc/92/68/92/524926892.db2.gz CBFJIWSJIWWIEE-AWEZNQCLSA-N 1 2 357.410 1.738 10 70 FDIELO C[C@H](CNC(=O)N(C)Cc1cc(Br)cn1C)[NH+]1CCOCC1 ZINC000160227787 524835498 /nfs/dbraw/zinc/83/54/98/524835498.db2.gz NNRDPSROCGXKDF-GFCCVEGCSA-N 1 2 373.295 1.650 10 70 FDIELO C[C@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000160442143 524889316 /nfs/dbraw/zinc/88/93/16/524889316.db2.gz QKUJFYZETSLEFC-RYUDHWBXSA-N 1 2 361.368 1.630 10 70 FDIELO COCc1nc2n(n1)CCC[C@H]2NC(=O)NCCCNc1cccc[nH+]1 ZINC000161035694 525020626 /nfs/dbraw/zinc/02/06/26/525020626.db2.gz BLKGJCSHDXCZCM-CYBMUJFWSA-N 1 2 359.434 1.456 10 70 FDIELO CCCCN(C)S(=O)(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000161383456 525097668 /nfs/dbraw/zinc/09/76/68/525097668.db2.gz QABNDQDITAYCEV-KRWDZBQOSA-N 1 2 355.504 1.314 10 70 FDIELO COCC(=O)N1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159751636 524730639 /nfs/dbraw/zinc/73/06/39/524730639.db2.gz HXPIGQVIAVKINF-HNNXBMFYSA-N 1 2 351.834 1.624 10 70 FDIELO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160994700 525011630 /nfs/dbraw/zinc/01/16/30/525011630.db2.gz DXSQCVRYACNLDV-QZTJIDSGSA-N 1 2 357.502 1.931 10 70 FDIELO CC(C)[C@H](O)CC(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000160216869 173702413 /nfs/dbraw/zinc/70/24/13/173702413.db2.gz SBVYIGODTHQVMJ-LJQANCHMSA-N 1 2 356.470 1.924 10 70 FDIELO CNC(=O)[C@@H]1CCCN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000159629408 524709919 /nfs/dbraw/zinc/70/99/19/524709919.db2.gz GUTKHINPWMIUHC-INIZCTEOSA-N 1 2 355.442 1.546 10 70 FDIELO CCn1cc(C[N@@H+]2CCCN(C(=O)C(=O)Nc3ccc(F)nc3)CC2)cn1 ZINC000159687772 524721943 /nfs/dbraw/zinc/72/19/43/524721943.db2.gz XLADJTWUHFIFNM-UHFFFAOYSA-N 1 2 374.420 1.110 10 70 FDIELO CCn1cc(C[N@H+]2CCCN(C(=O)C(=O)Nc3ccc(F)nc3)CC2)cn1 ZINC000159687772 524721952 /nfs/dbraw/zinc/72/19/52/524721952.db2.gz XLADJTWUHFIFNM-UHFFFAOYSA-N 1 2 374.420 1.110 10 70 FDIELO COCCCS(=O)(=O)N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000159991539 524784894 /nfs/dbraw/zinc/78/48/94/524784894.db2.gz UYTFCUXBFPLRLP-UHFFFAOYSA-N 1 2 363.483 1.719 10 70 FDIELO CC1(C)NC(=O)N(CCC[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)C1=O ZINC000160611218 524929385 /nfs/dbraw/zinc/92/93/85/524929385.db2.gz LSXUKVOSDAFRGI-AWEZNQCLSA-N 1 2 374.489 1.862 10 70 FDIELO CC1(C)NC(=O)N(CCC[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)C1=O ZINC000160611218 524929400 /nfs/dbraw/zinc/92/94/00/524929400.db2.gz LSXUKVOSDAFRGI-AWEZNQCLSA-N 1 2 374.489 1.862 10 70 FDIELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2OCCc3ccccc32)nc[nH+]1 ZINC000161340144 525085500 /nfs/dbraw/zinc/08/55/00/525085500.db2.gz CDHNCFSHJPWDAM-KXBFYZLASA-N 1 2 367.453 1.917 10 70 FDIELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@H]2OCCc3ccccc32)[nH+]cn1 ZINC000161340144 525085508 /nfs/dbraw/zinc/08/55/08/525085508.db2.gz CDHNCFSHJPWDAM-KXBFYZLASA-N 1 2 367.453 1.917 10 70 FDIELO CNC(=O)[C@H]1CCCN1C(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000159630781 524709688 /nfs/dbraw/zinc/70/96/88/524709688.db2.gz MYYBWHQQWHHPNI-QGZVFWFLSA-N 1 2 369.469 1.936 10 70 FDIELO O=C([C@H]1CCn2ccnc2C1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000161448161 525109878 /nfs/dbraw/zinc/10/98/78/525109878.db2.gz TZDJBEVAOAJOAU-ZWKOTPCHSA-N 1 2 354.454 1.323 10 70 FDIELO CCc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)s1 ZINC000160993342 525013070 /nfs/dbraw/zinc/01/30/70/525013070.db2.gz WUCZLVULNDTHMH-AWEZNQCLSA-N 1 2 374.514 1.744 10 70 FDIELO O=C([C@@H]1CCn2ccnc2C1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000161448032 525110338 /nfs/dbraw/zinc/11/03/38/525110338.db2.gz TZDJBEVAOAJOAU-MSOLQXFVSA-N 1 2 354.454 1.323 10 70 FDIELO CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC(n3cc[nH+]c3)CC1)CC2 ZINC000161473217 525116112 /nfs/dbraw/zinc/11/61/12/525116112.db2.gz DKACVTQWDZJDAN-CQSZACIVSA-N 1 2 357.462 1.960 10 70 FDIELO CCNC(=O)NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161198206 525051361 /nfs/dbraw/zinc/05/13/61/525051361.db2.gz ZFVFHODNLOYWBD-CHWSQXEVSA-N 1 2 359.348 1.659 10 70 FDIELO CCNC(=O)NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161198206 525051375 /nfs/dbraw/zinc/05/13/75/525051375.db2.gz ZFVFHODNLOYWBD-CHWSQXEVSA-N 1 2 359.348 1.659 10 70 FDIELO CCc1ncnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1F ZINC000159507730 173680177 /nfs/dbraw/zinc/68/01/77/173680177.db2.gz SAMAJTVXXRKTBU-OAHLLOKOSA-N 1 2 360.433 1.740 10 70 FDIELO COCC[N@@H+](CC(=O)N(C)C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159754223 524732553 /nfs/dbraw/zinc/73/25/53/524732553.db2.gz OQQYDAUJTQPMDI-HNNXBMFYSA-N 1 2 353.850 1.870 10 70 FDIELO COCC[N@H+](CC(=O)N(C)C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159754223 524732560 /nfs/dbraw/zinc/73/25/60/524732560.db2.gz OQQYDAUJTQPMDI-HNNXBMFYSA-N 1 2 353.850 1.870 10 70 FDIELO COCC[N@@H+](CC(=O)N(C)C)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159754373 524733884 /nfs/dbraw/zinc/73/38/84/524733884.db2.gz OQQYDAUJTQPMDI-OAHLLOKOSA-N 1 2 353.850 1.870 10 70 FDIELO COCC[N@H+](CC(=O)N(C)C)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159754373 524733894 /nfs/dbraw/zinc/73/38/94/524733894.db2.gz OQQYDAUJTQPMDI-OAHLLOKOSA-N 1 2 353.850 1.870 10 70 FDIELO CC(C)[C@@H](O)CC(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000160216981 524833034 /nfs/dbraw/zinc/83/30/34/524833034.db2.gz SBVYIGODTHQVMJ-IBGZPJMESA-N 1 2 356.470 1.924 10 70 FDIELO COCC[N@@H+]1CCN(C(=O)c2ccc(Br)c(O)c2)C[C@@H]1C ZINC000160892318 524990909 /nfs/dbraw/zinc/99/09/09/524990909.db2.gz JVGFNGLIAZLFDS-NSHDSACASA-N 1 2 357.248 1.947 10 70 FDIELO COCC[N@H+]1CCN(C(=O)c2ccc(Br)c(O)c2)C[C@@H]1C ZINC000160892318 524990918 /nfs/dbraw/zinc/99/09/18/524990918.db2.gz JVGFNGLIAZLFDS-NSHDSACASA-N 1 2 357.248 1.947 10 70 FDIELO O=C(N[C@@H]1CCc2ncnn2C1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000161230948 525059696 /nfs/dbraw/zinc/05/96/96/525059696.db2.gz IDUKRFSIWNYLCR-MRXNPFEDSA-N 1 2 374.876 1.774 10 70 FDIELO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160617974 524931239 /nfs/dbraw/zinc/93/12/39/524931239.db2.gz SVDAQIDMMYNXQF-INIZCTEOSA-N 1 2 355.446 1.344 10 70 FDIELO CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160682477 524947305 /nfs/dbraw/zinc/94/73/05/524947305.db2.gz ODMYFXQURRRMQO-MRXNPFEDSA-N 1 2 369.473 1.598 10 70 FDIELO O=C(N[C@H]1CCc2ncnn2C1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000160949557 525002730 /nfs/dbraw/zinc/00/27/30/525002730.db2.gz CDSKNVWHZGJLON-INIZCTEOSA-N 1 2 374.876 1.774 10 70 FDIELO CCc1ncnc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c1F ZINC000159507594 524688045 /nfs/dbraw/zinc/68/80/45/524688045.db2.gz SAMAJTVXXRKTBU-HNNXBMFYSA-N 1 2 360.433 1.740 10 70 FDIELO C[C@@H](CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)[NH+]1CCOCC1 ZINC000160213547 524832704 /nfs/dbraw/zinc/83/27/04/524832704.db2.gz LHRMBNFRZMHQQP-HNNXBMFYSA-N 1 2 361.486 1.799 10 70 FDIELO COC(=O)CCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160985917 525011349 /nfs/dbraw/zinc/01/13/49/525011349.db2.gz BXTFEDASOZTOQU-UONOGXRCSA-N 1 2 374.359 1.492 10 70 FDIELO COC(=O)CCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160985917 525011361 /nfs/dbraw/zinc/01/13/61/525011361.db2.gz BXTFEDASOZTOQU-UONOGXRCSA-N 1 2 374.359 1.492 10 70 FDIELO CCS(=O)(=O)NCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161189759 525050617 /nfs/dbraw/zinc/05/06/17/525050617.db2.gz LQZZTJWMBOVQBW-UONOGXRCSA-N 1 2 366.405 1.752 10 70 FDIELO CCS(=O)(=O)NCC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161189759 525050628 /nfs/dbraw/zinc/05/06/28/525050628.db2.gz LQZZTJWMBOVQBW-UONOGXRCSA-N 1 2 366.405 1.752 10 70 FDIELO CCCCN(C)S(=O)(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000161383565 525097490 /nfs/dbraw/zinc/09/74/90/525097490.db2.gz QABNDQDITAYCEV-QGZVFWFLSA-N 1 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ZINC000160668176 524943216 /nfs/dbraw/zinc/94/32/16/524943216.db2.gz XHMLNOHLZZCLLC-HNNXBMFYSA-N 1 2 354.410 1.134 10 70 FDIELO C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160668176 524943224 /nfs/dbraw/zinc/94/32/24/524943224.db2.gz XHMLNOHLZZCLLC-HNNXBMFYSA-N 1 2 354.410 1.134 10 70 FDIELO CCS(=O)(=O)NCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161189644 525050735 /nfs/dbraw/zinc/05/07/35/525050735.db2.gz LQZZTJWMBOVQBW-ZIAGYGMSSA-N 1 2 366.405 1.752 10 70 FDIELO CCS(=O)(=O)NCC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161189644 525050744 /nfs/dbraw/zinc/05/07/44/525050744.db2.gz LQZZTJWMBOVQBW-ZIAGYGMSSA-N 1 2 366.405 1.752 10 70 FDIELO CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC(n3cc[nH+]c3)CC1)CC2 ZINC000161473348 525116301 /nfs/dbraw/zinc/11/63/01/525116301.db2.gz DKACVTQWDZJDAN-AWEZNQCLSA-N 1 2 357.462 1.960 10 70 FDIELO CNC(=O)[C@H]1CCCN1C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000159629549 173684381 /nfs/dbraw/zinc/68/43/81/173684381.db2.gz GUTKHINPWMIUHC-MRXNPFEDSA-N 1 2 355.442 1.546 10 70 FDIELO COc1c(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(C)nn1C ZINC000161259085 525066878 /nfs/dbraw/zinc/06/68/78/525066878.db2.gz GHZWYRDTHCDBCC-UHFFFAOYSA-N 1 2 358.446 1.160 10 70 FDIELO COc1ccc(Br)c(CC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000159588227 524703990 /nfs/dbraw/zinc/70/39/90/524703990.db2.gz NECMGRQDELWAJV-ZDUSSCGKSA-N 1 2 357.248 1.447 10 70 FDIELO COc1ccc(Br)c(CC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000159588227 524703996 /nfs/dbraw/zinc/70/39/96/524703996.db2.gz NECMGRQDELWAJV-ZDUSSCGKSA-N 1 2 357.248 1.447 10 70 FDIELO O=C(NCCc1nnc(-c2ccccc2)o1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000160055695 524799499 /nfs/dbraw/zinc/79/94/99/524799499.db2.gz UONNGFKECOPYKM-INIZCTEOSA-N 1 2 371.441 1.395 10 70 FDIELO CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000160215559 524832884 /nfs/dbraw/zinc/83/28/84/524832884.db2.gz GZLZIJRDGFXSPO-INIZCTEOSA-N 1 2 361.486 1.752 10 70 FDIELO COCC(=O)N1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159751767 524733742 /nfs/dbraw/zinc/73/37/42/524733742.db2.gz HXPIGQVIAVKINF-OAHLLOKOSA-N 1 2 351.834 1.624 10 70 FDIELO O=C(c1cc(I)ccc1O)N1CCn2cc[nH+]c2C1 ZINC000217916748 537457431 /nfs/dbraw/zinc/45/74/31/537457431.db2.gz CBSOSUZWGFSHNS-UHFFFAOYSA-N 1 2 369.162 1.849 10 70 FDIELO CC(C)[C@H](O)CC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000159533094 524690374 /nfs/dbraw/zinc/69/03/74/524690374.db2.gz KUCFKWYCCKUGNM-QGZVFWFLSA-N 1 2 365.449 1.107 10 70 FDIELO CCN(C(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000160662519 524942857 /nfs/dbraw/zinc/94/28/57/524942857.db2.gz WXFLKBXRVZPEEE-UIBIWLFHSA-N 1 2 372.531 1.038 10 70 FDIELO CCN(C(=O)[C@H](C)[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000160662519 524942870 /nfs/dbraw/zinc/94/28/70/524942870.db2.gz WXFLKBXRVZPEEE-UIBIWLFHSA-N 1 2 372.531 1.038 10 70 FDIELO O=C(N[C@@H]1CCc2ncnn2C1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000160949444 525001950 /nfs/dbraw/zinc/00/19/50/525001950.db2.gz CDSKNVWHZGJLON-MRXNPFEDSA-N 1 2 374.876 1.774 10 70 FDIELO C[C@H](CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1)[NH+]1CCOCC1 ZINC000160229619 524836887 /nfs/dbraw/zinc/83/68/87/524836887.db2.gz ROYIQQOIYXBAIU-OAGGEKHMSA-N 1 2 351.447 1.598 10 70 FDIELO CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161198362 525052195 /nfs/dbraw/zinc/05/21/95/525052195.db2.gz ZFVFHODNLOYWBD-QWHCGFSZSA-N 1 2 359.348 1.659 10 70 FDIELO CCNC(=O)NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161198362 525052204 /nfs/dbraw/zinc/05/22/04/525052204.db2.gz ZFVFHODNLOYWBD-QWHCGFSZSA-N 1 2 359.348 1.659 10 70 FDIELO CCS(=O)(=O)c1cccc(CC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000159439478 524670585 /nfs/dbraw/zinc/67/05/85/524670585.db2.gz LRYLBYHDPZDOJH-MRXNPFEDSA-N 1 2 350.484 1.719 10 70 FDIELO CCS(=O)(=O)c1cccc(CC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000159439478 524670592 /nfs/dbraw/zinc/67/05/92/524670592.db2.gz LRYLBYHDPZDOJH-MRXNPFEDSA-N 1 2 350.484 1.719 10 70 FDIELO CC(C)[C@@H](O)CC(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000159533217 524690241 /nfs/dbraw/zinc/69/02/41/524690241.db2.gz KUCFKWYCCKUGNM-KRWDZBQOSA-N 1 2 365.449 1.107 10 70 FDIELO C[C@@H](CNC(=O)NCc1ccc(O)c(Br)c1)[NH+]1CCOCC1 ZINC000159894781 524761164 /nfs/dbraw/zinc/76/11/64/524761164.db2.gz AQGFHQDRZHPLDD-NSHDSACASA-N 1 2 372.263 1.675 10 70 FDIELO O=C(N[C@H]1CCc2ncnn2C1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000161231077 525060137 /nfs/dbraw/zinc/06/01/37/525060137.db2.gz IDUKRFSIWNYLCR-INIZCTEOSA-N 1 2 374.876 1.774 10 70 FDIELO O=C([C@H]1CCn2ccnc2C1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000161448288 525110080 /nfs/dbraw/zinc/11/00/80/525110080.db2.gz TZDJBEVAOAJOAU-ROUUACIJSA-N 1 2 354.454 1.323 10 70 FDIELO C[N@@H+]1CCO[C@H](CNC(=O)CSc2cccc(Br)c2)C1 ZINC000161169720 525047838 /nfs/dbraw/zinc/04/78/38/525047838.db2.gz ILKFDOHHMMJSSZ-GFCCVEGCSA-N 1 2 359.289 1.988 10 70 FDIELO C[N@H+]1CCO[C@H](CNC(=O)CSc2cccc(Br)c2)C1 ZINC000161169720 525047846 /nfs/dbraw/zinc/04/78/46/525047846.db2.gz ILKFDOHHMMJSSZ-GFCCVEGCSA-N 1 2 359.289 1.988 10 70 FDIELO CS(=O)(=O)CC[NH+]1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000160060697 524799190 /nfs/dbraw/zinc/79/91/90/524799190.db2.gz FGRLHFUSHJMELS-UHFFFAOYSA-N 1 2 355.410 1.680 10 70 FDIELO C[C@@H](CNC(=O)C(=O)Nc1cccnc1-c1ccccc1)[NH+]1CCOCC1 ZINC000160069250 524801062 /nfs/dbraw/zinc/80/10/62/524801062.db2.gz RJDDRMQONZADCX-HNNXBMFYSA-N 1 2 368.437 1.524 10 70 FDIELO COCCCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161113922 525036813 /nfs/dbraw/zinc/03/68/13/525036813.db2.gz YOXTWHXPELRZCQ-LSDHHAIUSA-N 1 2 360.376 1.966 10 70 FDIELO COCCCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161113922 525036824 /nfs/dbraw/zinc/03/68/24/525036824.db2.gz YOXTWHXPELRZCQ-LSDHHAIUSA-N 1 2 360.376 1.966 10 70 FDIELO CCc1ncc(NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000161159711 525045389 /nfs/dbraw/zinc/04/53/89/525045389.db2.gz IKOQFOCJHHTGIB-QGZVFWFLSA-N 1 2 355.442 1.922 10 70 FDIELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2OCCc3ccccc32)nc[nH+]1 ZINC000161339996 525085353 /nfs/dbraw/zinc/08/53/53/525085353.db2.gz CDHNCFSHJPWDAM-BEFAXECRSA-N 1 2 367.453 1.917 10 70 FDIELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H]2OCCc3ccccc32)[nH+]cn1 ZINC000161339996 525085364 /nfs/dbraw/zinc/08/53/64/525085364.db2.gz CDHNCFSHJPWDAM-BEFAXECRSA-N 1 2 367.453 1.917 10 70 FDIELO C[C@@H](CNC(=O)N(C)Cc1cc(Br)cn1C)[NH+]1CCOCC1 ZINC000160227653 524834114 /nfs/dbraw/zinc/83/41/14/524834114.db2.gz NNRDPSROCGXKDF-LBPRGKRZSA-N 1 2 373.295 1.650 10 70 FDIELO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCC[C@@H]3C(=O)N(C)C)c2c1 ZINC000160496331 524902021 /nfs/dbraw/zinc/90/20/21/524902021.db2.gz DGOUGELDTCBUGT-MRXNPFEDSA-N 1 2 357.410 1.690 10 70 FDIELO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCC[C@@H]3C(=O)N(C)C)c2c1 ZINC000160496331 524902025 /nfs/dbraw/zinc/90/20/25/524902025.db2.gz DGOUGELDTCBUGT-MRXNPFEDSA-N 1 2 357.410 1.690 10 70 FDIELO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000160994795 525013209 /nfs/dbraw/zinc/01/32/09/525013209.db2.gz DXSQCVRYACNLDV-MSOLQXFVSA-N 1 2 357.502 1.931 10 70 FDIELO CC(C)CCS(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000161479026 525115337 /nfs/dbraw/zinc/11/53/37/525115337.db2.gz HNTGIZALXOZOOB-QGZVFWFLSA-N 1 2 370.515 1.420 10 70 FDIELO C[C@H](CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)[NH+]1CCOCC1 ZINC000160212650 524833838 /nfs/dbraw/zinc/83/38/38/524833838.db2.gz QJDLMNKKDXXCQY-OAHLLOKOSA-N 1 2 361.486 1.913 10 70 FDIELO C[C@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@H]1[NH+]1CCOCC1 ZINC000160442404 524888748 /nfs/dbraw/zinc/88/87/48/524888748.db2.gz QKUJFYZETSLEFC-NWDGAFQWSA-N 1 2 361.368 1.630 10 70 FDIELO C[N@@H+]1CCO[C@@H](CNC(=O)CSc2cccc(Br)c2)C1 ZINC000161169847 525047205 /nfs/dbraw/zinc/04/72/05/525047205.db2.gz ILKFDOHHMMJSSZ-LBPRGKRZSA-N 1 2 359.289 1.988 10 70 FDIELO C[N@H+]1CCO[C@@H](CNC(=O)CSc2cccc(Br)c2)C1 ZINC000161169847 525047220 /nfs/dbraw/zinc/04/72/20/525047220.db2.gz ILKFDOHHMMJSSZ-LBPRGKRZSA-N 1 2 359.289 1.988 10 70 FDIELO CS(=O)(=O)N1CCC[N@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159723336 524727904 /nfs/dbraw/zinc/72/79/04/524727904.db2.gz FYADDOQZUBYELM-HNNXBMFYSA-N 1 2 371.890 1.800 10 70 FDIELO CS(=O)(=O)N1CCC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159723336 524727914 /nfs/dbraw/zinc/72/79/14/524727914.db2.gz FYADDOQZUBYELM-HNNXBMFYSA-N 1 2 371.890 1.800 10 70 FDIELO COC(=O)[C@@H](c1cccnc1)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000159950150 524774705 /nfs/dbraw/zinc/77/47/05/524774705.db2.gz DDJBSOHDUSJHCR-GOSISDBHSA-N 1 2 357.458 1.464 10 70 FDIELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160519245 524908596 /nfs/dbraw/zinc/90/85/96/524908596.db2.gz MAAOEGWHPKKZNP-UHFFFAOYSA-N 1 2 367.457 1.277 10 70 FDIELO Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160618104 524931736 /nfs/dbraw/zinc/93/17/36/524931736.db2.gz SVDAQIDMMYNXQF-MRXNPFEDSA-N 1 2 355.446 1.344 10 70 FDIELO C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160668040 524941550 /nfs/dbraw/zinc/94/15/50/524941550.db2.gz XHMLNOHLZZCLLC-OAHLLOKOSA-N 1 2 354.410 1.134 10 70 FDIELO C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2cccnc2-c2ccccc2)C1 ZINC000160668040 524941563 /nfs/dbraw/zinc/94/15/63/524941563.db2.gz XHMLNOHLZZCLLC-OAHLLOKOSA-N 1 2 354.410 1.134 10 70 FDIELO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000159580216 524701633 /nfs/dbraw/zinc/70/16/33/524701633.db2.gz ALLCQKPIPWSZCZ-PXNSSMCTSA-N 1 2 374.485 1.755 10 70 FDIELO C[C@H](CNC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1)[NH+]1CCOCC1 ZINC000160213712 524832508 /nfs/dbraw/zinc/83/25/08/524832508.db2.gz LHRMBNFRZMHQQP-OAHLLOKOSA-N 1 2 361.486 1.799 10 70 FDIELO C[C@H](CNC(=O)NCc1ccc(O)c(Br)c1)[NH+]1CCOCC1 ZINC000159894934 524761212 /nfs/dbraw/zinc/76/12/12/524761212.db2.gz AQGFHQDRZHPLDD-LLVKDONJSA-N 1 2 372.263 1.675 10 70 FDIELO C[C@@H](CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)[NH+]1CCOCC1 ZINC000160212592 524832284 /nfs/dbraw/zinc/83/22/84/524832284.db2.gz QJDLMNKKDXXCQY-HNNXBMFYSA-N 1 2 361.486 1.913 10 70 FDIELO COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000161362699 525089202 /nfs/dbraw/zinc/08/92/02/525089202.db2.gz BYKLEAAKGOPCLU-MRXNPFEDSA-N 1 2 370.457 1.129 10 70 FDIELO COc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000161362833 525088891 /nfs/dbraw/zinc/08/88/91/525088891.db2.gz BYKLEAAKGOPCLU-INIZCTEOSA-N 1 2 370.457 1.129 10 70 FDIELO Cc1ccn2c(CN3CCN(S(=O)(=O)c4cccnc4)CC3)c[nH+]c2c1 ZINC000159880076 524759887 /nfs/dbraw/zinc/75/98/87/524759887.db2.gz SMKYDGVYXMBRQE-UHFFFAOYSA-N 1 2 371.466 1.544 10 70 FDIELO C[C@H](CNC(=O)C(=O)Nc1cccnc1-c1ccccc1)[NH+]1CCOCC1 ZINC000160069362 524800555 /nfs/dbraw/zinc/80/05/55/524800555.db2.gz RJDDRMQONZADCX-OAHLLOKOSA-N 1 2 368.437 1.524 10 70 FDIELO CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000160215455 524833732 /nfs/dbraw/zinc/83/37/32/524833732.db2.gz GZLZIJRDGFXSPO-MRXNPFEDSA-N 1 2 361.486 1.752 10 70 FDIELO CCc1nc2n(n1)C[C@H](NC(=O)N1CC[NH+](Cc3ccccn3)CC1)CC2 ZINC000160232368 524836059 /nfs/dbraw/zinc/83/60/59/524836059.db2.gz QJBSJYMTSWEQMM-MRXNPFEDSA-N 1 2 369.473 1.078 10 70 FDIELO CCOCC[N@@H+]1CCN(C(=O)C(=O)Nc2c(C)onc2CC)C[C@@H]1C ZINC000160656875 524939852 /nfs/dbraw/zinc/93/98/52/524939852.db2.gz VJBMOFPSBYQSCC-LBPRGKRZSA-N 1 2 352.435 1.053 10 70 FDIELO CCOCC[N@H+]1CCN(C(=O)C(=O)Nc2c(C)onc2CC)C[C@@H]1C ZINC000160656875 524939856 /nfs/dbraw/zinc/93/98/56/524939856.db2.gz VJBMOFPSBYQSCC-LBPRGKRZSA-N 1 2 352.435 1.053 10 70 FDIELO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000160994928 525013185 /nfs/dbraw/zinc/01/31/85/525013185.db2.gz DXSQCVRYACNLDV-ZWKOTPCHSA-N 1 2 357.502 1.931 10 70 FDIELO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000160995066 525013358 /nfs/dbraw/zinc/01/33/58/525013358.db2.gz DXSQCVRYACNLDV-ROUUACIJSA-N 1 2 357.502 1.931 10 70 FDIELO C[C@@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)C[C@H]1[NH+]1CCOCC1 ZINC000160442275 524888680 /nfs/dbraw/zinc/88/86/80/524888680.db2.gz QKUJFYZETSLEFC-VXGBXAGGSA-N 1 2 361.368 1.630 10 70 FDIELO COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCCNc1cccc[nH+]1 ZINC000161035574 525020036 /nfs/dbraw/zinc/02/00/36/525020036.db2.gz BLKGJCSHDXCZCM-ZDUSSCGKSA-N 1 2 359.434 1.456 10 70 FDIELO