smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(-n4cncn4)c(C)c3)C2)[nH+]1 ZINC000092813051 494758213 /nfs/dbraw/zinc/75/82/13/494758213.db2.gz HOQFYSWCBOEALM-IBGZPJMESA-N 2 1 362.481 3.213 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(-n4cncn4)c(C)c3)C2)[nH+]1 ZINC000092813051 494758222 /nfs/dbraw/zinc/75/82/22/494758222.db2.gz HOQFYSWCBOEALM-IBGZPJMESA-N 2 1 362.481 3.213 10 0 FGAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123298982 495110341 /nfs/dbraw/zinc/11/03/41/495110341.db2.gz MPKFFVMVMQYFGF-JXFKEZNVSA-N 2 1 369.513 3.367 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123298982 495110344 /nfs/dbraw/zinc/11/03/44/495110344.db2.gz MPKFFVMVMQYFGF-JXFKEZNVSA-N 2 1 369.513 3.367 10 0 FGAEMP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nc(C2CC2)no1 ZINC000112550113 495204304 /nfs/dbraw/zinc/20/43/04/495204304.db2.gz HAEPDKGHABWRJP-HNAYVOBHSA-N 2 1 370.497 3.043 10 0 FGAEMP O[C@@H](C[NH+]1CCC(CNc2[nH]c3ccccc3[nH+]2)CC1)c1ccccc1 ZINC000134951167 495230369 /nfs/dbraw/zinc/23/03/69/495230369.db2.gz ZBVBOXXTBUXTBT-FQEVSTJZSA-N 2 1 350.466 3.420 10 0 FGAEMP C(=C/C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)\C[NH+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484590 495382855 /nfs/dbraw/zinc/38/28/55/495382855.db2.gz XHMCFEBFWBQFIY-BGEOSOQGSA-N 2 1 354.502 3.443 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2csc(-c3ccsc3)n2)CC1 ZINC000106124475 495417316 /nfs/dbraw/zinc/41/73/16/495417316.db2.gz WWDUOOOSNJIFGO-AWEZNQCLSA-N 2 1 365.568 3.396 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000106216099 495434920 /nfs/dbraw/zinc/43/49/20/495434920.db2.gz PWJHKQULGNRXPQ-QFBILLFUSA-N 2 1 372.488 3.269 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000106216099 495434922 /nfs/dbraw/zinc/43/49/22/495434922.db2.gz PWJHKQULGNRXPQ-QFBILLFUSA-N 2 1 372.488 3.269 10 0 FGAEMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179516021 495625473 /nfs/dbraw/zinc/62/54/73/495625473.db2.gz BPBZUAYQHKAPPN-KRWDZBQOSA-N 2 1 370.541 3.014 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C3CCCCC3)C2)[nH+]1 ZINC000151117555 495744311 /nfs/dbraw/zinc/74/43/11/495744311.db2.gz MJYWKWJWWDRWBG-ROUUACIJSA-N 2 1 358.530 3.303 10 0 FGAEMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCOCC2 ZINC000186241190 495909978 /nfs/dbraw/zinc/90/99/78/495909978.db2.gz JUSPLYUMGBIJBN-FGZHOGPDSA-N 2 1 372.553 3.257 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000152258475 496097159 /nfs/dbraw/zinc/09/71/59/496097159.db2.gz UZIKJOWTAHOGTK-LJQANCHMSA-N 2 1 369.513 3.054 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000178327912 496414797 /nfs/dbraw/zinc/41/47/97/496414797.db2.gz SVAGTLKWCNRXDG-LPHOPBHVSA-N 2 1 352.482 3.024 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000178327912 496414802 /nfs/dbraw/zinc/41/48/02/496414802.db2.gz SVAGTLKWCNRXDG-LPHOPBHVSA-N 2 1 352.482 3.024 10 0 FGAEMP CCN(C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)[C@@H](C)c1ccc(F)cc1 ZINC000178747515 496559029 /nfs/dbraw/zinc/55/90/29/496559029.db2.gz NAOKOVPTBMZIHR-OXJNMPFZSA-N 2 1 372.488 3.405 10 0 FGAEMP CCN(C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)[C@@H](C)c1ccc(F)cc1 ZINC000178747515 496559038 /nfs/dbraw/zinc/55/90/38/496559038.db2.gz NAOKOVPTBMZIHR-OXJNMPFZSA-N 2 1 372.488 3.405 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000164423206 496610533 /nfs/dbraw/zinc/61/05/33/496610533.db2.gz OGRQMOKTZXPQFH-FQEVSTJZSA-N 2 1 357.542 3.231 10 0 FGAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000247115759 496784261 /nfs/dbraw/zinc/78/42/61/496784261.db2.gz IVADIGPFURFWBP-NQIIRXRSSA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000247487441 496869925 /nfs/dbraw/zinc/86/99/25/496869925.db2.gz KXSVCINRAAMQDH-NQIIRXRSSA-N 2 1 370.541 3.051 10 0 FGAEMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000248903113 497131459 /nfs/dbraw/zinc/13/14/59/497131459.db2.gz VXWWNRXLVMHZQW-NRFANRHFSA-N 2 1 367.541 3.275 10 0 FGAEMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000248903113 497131467 /nfs/dbraw/zinc/13/14/67/497131467.db2.gz VXWWNRXLVMHZQW-NRFANRHFSA-N 2 1 367.541 3.275 10 0 FGAEMP C(=C\C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)\C[NH+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000255514082 497368950 /nfs/dbraw/zinc/36/89/50/497368950.db2.gz XHMCFEBFWBQFIY-SBUVDCAVSA-N 2 1 354.502 3.443 10 0 FGAEMP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261696636 497434419 /nfs/dbraw/zinc/43/44/19/497434419.db2.gz JJZHGCYTWDVUKA-UIFIKXQLSA-N 2 1 363.505 3.029 10 0 FGAEMP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261696636 497434421 /nfs/dbraw/zinc/43/44/21/497434421.db2.gz JJZHGCYTWDVUKA-UIFIKXQLSA-N 2 1 363.505 3.029 10 0 FGAEMP c1ccc(-c2ccccc2OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262014682 497492403 /nfs/dbraw/zinc/49/24/03/497492403.db2.gz VXNCKHNCEXCWOY-BHDDXSALSA-N 2 1 366.505 3.479 10 0 FGAEMP Brc1cccc(N[C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000262048867 497498688 /nfs/dbraw/zinc/49/86/88/497498688.db2.gz ZJZJBHIQYKLUHW-PBHICJAKSA-N 2 1 352.320 3.325 10 0 FGAEMP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c(C)c1 ZINC000246061055 497608268 /nfs/dbraw/zinc/60/82/68/497608268.db2.gz AHFICMSFWYXONW-VQTJNVASSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C)c1 ZINC000246061055 497608272 /nfs/dbraw/zinc/60/82/72/497608272.db2.gz AHFICMSFWYXONW-VQTJNVASSA-N 2 1 369.509 3.181 10 0 FGAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000246525699 497764430 /nfs/dbraw/zinc/76/44/30/497764430.db2.gz JGJJOZIGLKQEQO-YNIZLOQISA-N 2 1 364.578 3.057 10 0 FGAEMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246849668 497816394 /nfs/dbraw/zinc/81/63/94/497816394.db2.gz FGMFGGMTSHRDCG-YLJYHZDGSA-N 2 1 360.546 3.056 10 0 FGAEMP CCCOc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1OC ZINC000121135995 494612749 /nfs/dbraw/zinc/61/27/49/494612749.db2.gz VBXGOGNSGVQKEU-KRWDZBQOSA-N 2 1 364.530 3.009 10 0 FGAEMP CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000092761324 494739906 /nfs/dbraw/zinc/73/99/06/494739906.db2.gz JRPSEUQGBDEMHO-HKUYNNGSSA-N 2 1 374.529 3.108 10 0 FGAEMP O=C(C[N@@H+]1CCC[C@@H]1c1ccco1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000116287749 494752210 /nfs/dbraw/zinc/75/22/10/494752210.db2.gz SOVLGNZGGGSVIE-HXUWFJFHSA-N 2 1 367.493 3.329 10 0 FGAEMP O=C(C[N@H+]1CCC[C@@H]1c1ccco1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000116287749 494752215 /nfs/dbraw/zinc/75/22/15/494752215.db2.gz SOVLGNZGGGSVIE-HXUWFJFHSA-N 2 1 367.493 3.329 10 0 FGAEMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000124258465 495258922 /nfs/dbraw/zinc/25/89/22/495258922.db2.gz COVYXLXSIQQHRW-OAQYLSRUSA-N 2 1 374.573 3.400 10 0 FGAEMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000106427497 495455108 /nfs/dbraw/zinc/45/51/08/495455108.db2.gz DETZDENTTXOAHE-FCHUYYIVSA-N 2 1 365.521 3.113 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)Nc3cccc(F)c3)C2)[nH+]1 ZINC000170790305 495605545 /nfs/dbraw/zinc/60/55/45/495605545.db2.gz TYVDGCTXROJXKY-MRXNPFEDSA-N 2 1 356.445 3.292 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)Nc3cccc(F)c3)C2)[nH+]1 ZINC000170790305 495605549 /nfs/dbraw/zinc/60/55/49/495605549.db2.gz TYVDGCTXROJXKY-MRXNPFEDSA-N 2 1 356.445 3.292 10 0 FGAEMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000182584427 495624617 /nfs/dbraw/zinc/62/46/17/495624617.db2.gz DFTKVMVGUCUKQK-LJQANCHMSA-N 2 1 352.567 3.014 10 0 FGAEMP CCCOc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1OC ZINC000179517219 495624997 /nfs/dbraw/zinc/62/49/97/495624997.db2.gz ZQQQRWUZPUZIFT-KRWDZBQOSA-N 2 1 364.530 3.009 10 0 FGAEMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C12CCOCC2 ZINC000186249413 495913992 /nfs/dbraw/zinc/91/39/92/495913992.db2.gz KPCZGTIUUHWYDH-IYWMVGAKSA-N 2 1 352.563 3.308 10 0 FGAEMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C12CCOCC2 ZINC000186274783 495924023 /nfs/dbraw/zinc/92/40/23/495924023.db2.gz NAOJEHZUMNPOJT-VQTJNVASSA-N 2 1 373.472 3.384 10 0 FGAEMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652390 495972483 /nfs/dbraw/zinc/97/24/83/495972483.db2.gz ODVZHDVKYCHVER-IPMKNSEASA-N 2 1 358.530 3.303 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3C)C2)[nH+]1 ZINC000174766238 496098372 /nfs/dbraw/zinc/09/83/72/496098372.db2.gz WZRVSMTZTKVVOB-SFHVURJKSA-N 2 1 352.482 3.461 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3C)C2)[nH+]1 ZINC000174766238 496098374 /nfs/dbraw/zinc/09/83/74/496098374.db2.gz WZRVSMTZTKVVOB-SFHVURJKSA-N 2 1 352.482 3.461 10 0 FGAEMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000156732905 496322126 /nfs/dbraw/zinc/32/21/26/496322126.db2.gz FGMFGGMTSHRDCG-PXNSSMCTSA-N 2 1 360.546 3.056 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000178288241 496400244 /nfs/dbraw/zinc/40/02/44/496400244.db2.gz ULPTXWWCDKKVHZ-KRWDZBQOSA-N 2 1 367.449 3.150 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000178288241 496400250 /nfs/dbraw/zinc/40/02/50/496400250.db2.gz ULPTXWWCDKKVHZ-KRWDZBQOSA-N 2 1 367.449 3.150 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000175805957 496552673 /nfs/dbraw/zinc/55/26/73/496552673.db2.gz OJVOKONRMRKWMV-HKUYNNGSSA-N 2 1 361.534 3.020 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000175805957 496552678 /nfs/dbraw/zinc/55/26/78/496552678.db2.gz OJVOKONRMRKWMV-HKUYNNGSSA-N 2 1 361.534 3.020 10 0 FGAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000181966492 496617044 /nfs/dbraw/zinc/61/70/44/496617044.db2.gz BEHSICDCNUZUIH-ZWKOTPCHSA-N 2 1 374.529 3.026 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(Br)c1 ZINC000247137218 496790387 /nfs/dbraw/zinc/79/03/87/496790387.db2.gz SRBWXPOUCOEWJL-IAGOWNOFSA-N 2 1 364.287 3.152 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc(Br)c1 ZINC000247137218 496790393 /nfs/dbraw/zinc/79/03/93/496790393.db2.gz SRBWXPOUCOEWJL-IAGOWNOFSA-N 2 1 364.287 3.152 10 0 FGAEMP CCc1noc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000247539271 496883215 /nfs/dbraw/zinc/88/32/15/496883215.db2.gz CVKPVEXBTPPZIR-VQIMIIECSA-N 2 1 372.513 3.070 10 0 FGAEMP CCc1noc([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000247539271 496883220 /nfs/dbraw/zinc/88/32/20/496883220.db2.gz CVKPVEXBTPPZIR-VQIMIIECSA-N 2 1 372.513 3.070 10 0 FGAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCC5(CC4)OCCO5)[C@H]3C2)cc1 ZINC000248422490 497006447 /nfs/dbraw/zinc/00/64/47/497006447.db2.gz YQHKTOFTSLPOTN-JBACZVJFSA-N 2 1 356.510 3.172 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000261734253 497441885 /nfs/dbraw/zinc/44/18/85/497441885.db2.gz MCLOJDBAYZGPDF-APWZRJJASA-N 2 1 357.885 3.343 10 0 FGAEMP COc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CCCC2)c1 ZINC000262004272 497491270 /nfs/dbraw/zinc/49/12/70/497491270.db2.gz UVPDTCWPSOXUER-NJDAHSKKSA-N 2 1 358.526 3.254 10 0 FGAEMP C[N@@H+](CCO)C1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000272222305 497569101 /nfs/dbraw/zinc/56/91/01/497569101.db2.gz NTKDYXYKVJFWNC-UHFFFAOYSA-N 2 1 353.388 3.147 10 0 FGAEMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000194331461 497637036 /nfs/dbraw/zinc/63/70/36/497637036.db2.gz NFTRWKRDJZCFDG-KRWDZBQOSA-N 2 1 362.518 3.013 10 0 FGAEMP CC(C)(C)n1cc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nn1 ZINC000311892029 498754710 /nfs/dbraw/zinc/75/47/10/498754710.db2.gz AVICIQSQEFEGTB-MISYRCLQSA-N 2 1 353.514 3.033 10 0 FGAEMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000700805872 722409791 /nfs/dbraw/zinc/40/97/91/722409791.db2.gz VMESJLVMJNNQJE-OKZBNKHCSA-N 2 1 353.551 3.344 10 0 FGAEMP Cc1cc(Br)ccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121151416 494619391 /nfs/dbraw/zinc/61/93/91/494619391.db2.gz NIJPOMMFJMUWMX-OAHLLOKOSA-N 2 1 369.347 3.282 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1ccccc1Br ZINC000127356938 494933147 /nfs/dbraw/zinc/93/31/47/494933147.db2.gz ZWRRWOCNCHVZPZ-HNNXBMFYSA-N 2 1 364.287 3.497 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1ccccc1Br ZINC000127356938 494933149 /nfs/dbraw/zinc/93/31/49/494933149.db2.gz ZWRRWOCNCHVZPZ-HNNXBMFYSA-N 2 1 364.287 3.497 10 0 FGAEMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000122226533 494942592 /nfs/dbraw/zinc/94/25/92/494942592.db2.gz KLIPWSNPWPOPTH-ROUUACIJSA-N 2 1 369.513 3.210 10 0 FGAEMP COC(=O)c1ccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(F)c1 ZINC000135587323 495315147 /nfs/dbraw/zinc/31/51/47/495315147.db2.gz WYJFSTLQRJTCBR-OAHLLOKOSA-N 2 1 357.429 3.250 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)ccc2Br)CC1 ZINC000106124421 495416989 /nfs/dbraw/zinc/41/69/89/495416989.db2.gz QGCKKKHZCBUUOS-CYBMUJFWSA-N 2 1 373.310 3.113 10 0 FGAEMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106432346 495454963 /nfs/dbraw/zinc/45/49/63/495454963.db2.gz SQSUDICQEGFZHY-QFIPXVFZSA-N 2 1 367.537 3.316 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000130856783 495457417 /nfs/dbraw/zinc/45/74/17/495457417.db2.gz VZXAKSYTERRUKB-SFHVURJKSA-N 2 1 355.486 3.376 10 0 FGAEMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c2ccccc12 ZINC000179517941 495624919 /nfs/dbraw/zinc/62/49/19/495624919.db2.gz ZPGKLWGBQHXHMO-QGZVFWFLSA-N 2 1 356.510 3.373 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(-c3ccccc3)s2)CC1 ZINC000170941932 495660904 /nfs/dbraw/zinc/66/09/04/495660904.db2.gz PDTBSIMRNJCENY-INIZCTEOSA-N 2 1 359.539 3.335 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCOc3ccc4c(c3)OCO4)C2)[nH+]1 ZINC000171648487 495968839 /nfs/dbraw/zinc/96/88/39/495968839.db2.gz YNSRILAPINEUGR-KRWDZBQOSA-N 2 1 369.465 3.322 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCOc3ccc4c(c3)OCO4)C2)[nH+]1 ZINC000171648487 495968847 /nfs/dbraw/zinc/96/88/47/495968847.db2.gz YNSRILAPINEUGR-KRWDZBQOSA-N 2 1 369.465 3.322 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NCC3CCCCC3)C2)[nH+]1 ZINC000171652436 495972078 /nfs/dbraw/zinc/97/20/78/495972078.db2.gz ILMXPEPTPZYVRA-HKUYNNGSSA-N 2 1 358.530 3.209 10 0 FGAEMP CCN(C)c1ccc(CN2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)cn1 ZINC000191537581 496802505 /nfs/dbraw/zinc/80/25/05/496802505.db2.gz VHOMJZUYYSQXKH-GOSISDBHSA-N 2 1 373.570 3.257 10 0 FGAEMP CCN(C)c1ccc(CN2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)cn1 ZINC000191537581 496802509 /nfs/dbraw/zinc/80/25/09/496802509.db2.gz VHOMJZUYYSQXKH-GOSISDBHSA-N 2 1 373.570 3.257 10 0 FGAEMP CCO[C@H]1C[C@@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000191577210 496819810 /nfs/dbraw/zinc/81/98/10/496819810.db2.gz CIFAMLAGEFXWEA-UXHICEINSA-N 2 1 351.579 3.072 10 0 FGAEMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000195131911 496829395 /nfs/dbraw/zinc/82/93/95/496829395.db2.gz TXKGGQUYWVMWPS-PWRODBHTSA-N 2 1 358.526 3.072 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)C2)[nH+]1 ZINC000247310509 496831489 /nfs/dbraw/zinc/83/14/89/496831489.db2.gz HCRLTNMBHIMQJL-HCXYKTFWSA-N 2 1 358.530 3.302 10 0 FGAEMP COC(=O)c1oc([C@@H](C)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C ZINC000248649400 497071360 /nfs/dbraw/zinc/07/13/60/497071360.db2.gz KRNVVRLTLKDBIN-AEFFLSMTSA-N 2 1 371.481 3.285 10 0 FGAEMP COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1C ZINC000248649400 497071362 /nfs/dbraw/zinc/07/13/62/497071362.db2.gz KRNVVRLTLKDBIN-AEFFLSMTSA-N 2 1 371.481 3.285 10 0 FGAEMP COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1C ZINC000248649400 497071368 /nfs/dbraw/zinc/07/13/68/497071368.db2.gz KRNVVRLTLKDBIN-AEFFLSMTSA-N 2 1 371.481 3.285 10 0 FGAEMP Cc1csc([C@@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000192728974 497198398 /nfs/dbraw/zinc/19/83/98/497198398.db2.gz NYXBHBKZYBCORI-GOSISDBHSA-N 2 1 350.576 3.047 10 0 FGAEMP Cc1cncc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000189873379 497275977 /nfs/dbraw/zinc/27/59/77/497275977.db2.gz JEXREMBEBQMHGW-QFIPXVFZSA-N 2 1 353.510 3.267 10 0 FGAEMP Cc1ccccc1-c1noc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000245499907 497430856 /nfs/dbraw/zinc/43/08/56/497430856.db2.gz ZCCWEAIYZILPSW-DLBZAZTESA-N 2 1 372.513 3.131 10 0 FGAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000261931367 497479093 /nfs/dbraw/zinc/47/90/93/497479093.db2.gz WHSCCJVIKOGAMP-GMWOYJHMSA-N 2 1 373.516 3.060 10 0 FGAEMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc(C[NH+]2CCCCCC2)c1 ZINC000262041202 497498052 /nfs/dbraw/zinc/49/80/52/497498052.db2.gz YPLHFVXRFVGHCG-DNVJHFABSA-N 3 1 371.569 3.309 10 0 FGAEMP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262194079 497522964 /nfs/dbraw/zinc/52/29/64/497522964.db2.gz JXSKYTRUGJEUEI-NLEAXPPASA-N 2 1 363.505 3.027 10 0 FGAEMP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262194079 497522971 /nfs/dbraw/zinc/52/29/71/497522971.db2.gz JXSKYTRUGJEUEI-NLEAXPPASA-N 2 1 363.505 3.027 10 0 FGAEMP CCc1nccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000245753195 497528422 /nfs/dbraw/zinc/52/84/22/497528422.db2.gz CPSBDGFERBTYFN-DLBZAZTESA-N 2 1 368.481 3.004 10 0 FGAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000262313878 497538376 /nfs/dbraw/zinc/53/83/76/497538376.db2.gz TZXOAXUHGOCJDM-TWFHAPMSSA-N 2 1 357.542 3.298 10 0 FGAEMP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262653756 497592447 /nfs/dbraw/zinc/59/24/47/497592447.db2.gz BRDLSVINTRIRQV-UWJYYQICSA-N 2 1 369.484 3.196 10 0 FGAEMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262653756 497592452 /nfs/dbraw/zinc/59/24/52/497592452.db2.gz BRDLSVINTRIRQV-UWJYYQICSA-N 2 1 369.484 3.196 10 0 FGAEMP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000262661422 497594633 /nfs/dbraw/zinc/59/46/33/497594633.db2.gz YDGHMCSPKRRSHM-YADHBBJMSA-N 2 1 365.521 3.275 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NCC3CCCCC3)C2)[nH+]1 ZINC000246105419 497623348 /nfs/dbraw/zinc/62/33/48/497623348.db2.gz ILMXPEPTPZYVRA-MJGOQNOKSA-N 2 1 358.530 3.209 10 0 FGAEMP Cn1cc([C@@H]2CCC[NH+]2CCCCC[N@@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000246858893 497817222 /nfs/dbraw/zinc/81/72/22/497817222.db2.gz DNDISMONCAOLDF-SFTDATJTSA-N 2 1 370.545 3.298 10 0 FGAEMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000130091356 700795923 /nfs/dbraw/zinc/79/59/23/700795923.db2.gz YFPAATSQLVNNHO-ROUUACIJSA-N 2 1 353.551 3.344 10 0 FGAEMP CC[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000247217279 713637100 /nfs/dbraw/zinc/63/71/00/713637100.db2.gz WESNIGJJSIHZDH-AJYUKVHDSA-N 2 1 351.535 3.237 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(C3CCCC3)s2)CC1 ZINC000121094981 494593197 /nfs/dbraw/zinc/59/31/97/494593197.db2.gz FDWWYPLXGUUMOI-HNNXBMFYSA-N 2 1 351.560 3.325 10 0 FGAEMP COCCOc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000092813087 494758523 /nfs/dbraw/zinc/75/85/23/494758523.db2.gz KDGMMSDYQIJBET-IBGZPJMESA-N 2 1 355.482 3.349 10 0 FGAEMP COCCOc1cccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000092813087 494758533 /nfs/dbraw/zinc/75/85/33/494758533.db2.gz KDGMMSDYQIJBET-IBGZPJMESA-N 2 1 355.482 3.349 10 0 FGAEMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000116561164 494816090 /nfs/dbraw/zinc/81/60/90/494816090.db2.gz QDSBSUKVRMZEAG-WIYYLYMNSA-N 2 1 370.541 3.092 10 0 FGAEMP CC(C)c1noc([C@@H](C)[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000112550104 495204099 /nfs/dbraw/zinc/20/40/99/495204099.db2.gz FUHCAHXRRJDJMJ-APWZRJJASA-N 2 1 372.513 3.289 10 0 FGAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173540313 495581148 /nfs/dbraw/zinc/58/11/48/495581148.db2.gz SCAJDOYMKFNLKT-LEWJYISDSA-N 2 1 370.541 3.051 10 0 FGAEMP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000151110542 495740478 /nfs/dbraw/zinc/74/04/78/495740478.db2.gz FLAJYYPFSLUCMW-PMACEKPBSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000151110542 495740483 /nfs/dbraw/zinc/74/04/83/495740483.db2.gz FLAJYYPFSLUCMW-PMACEKPBSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1Br ZINC000155050576 495818122 /nfs/dbraw/zinc/81/81/22/495818122.db2.gz HSBGWQPRYUOOTK-PBHICJAKSA-N 2 1 364.287 3.152 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1ccccc1Br ZINC000155050576 495818126 /nfs/dbraw/zinc/81/81/26/495818126.db2.gz HSBGWQPRYUOOTK-PBHICJAKSA-N 2 1 364.287 3.152 10 0 FGAEMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCOCC2 ZINC000186195596 495893212 /nfs/dbraw/zinc/89/32/12/495893212.db2.gz SSFLMFHEGNWMJD-SFTDATJTSA-N 2 1 358.526 3.215 10 0 FGAEMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCOCC2 ZINC000186241171 495908760 /nfs/dbraw/zinc/90/87/60/495908760.db2.gz JUSPLYUMGBIJBN-VXKWHMMOSA-N 2 1 372.553 3.257 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)Cc3ccccc3)C2)[nH+]1 ZINC000171652490 495971904 /nfs/dbraw/zinc/97/19/04/495971904.db2.gz AXIHFRUFTOOSDH-AZUAARDMSA-N 2 1 366.509 3.171 10 0 FGAEMP C[N@H+]1CCCN(CCC[NH2+]C2c3ccccc3CCc3ccccc32)CC1 ZINC000180468072 496007083 /nfs/dbraw/zinc/00/70/83/496007083.db2.gz PYVGIWOSSSQCRF-UHFFFAOYSA-N 2 1 363.549 3.492 10 0 FGAEMP C[N@@H+](CCc1cccnc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000172162510 496191468 /nfs/dbraw/zinc/19/14/68/496191468.db2.gz VYJDIDVYOAPMTF-QFIPXVFZSA-N 2 1 353.510 3.002 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000178314519 496408934 /nfs/dbraw/zinc/40/89/34/496408934.db2.gz QZCUXYPNNBVWIX-TZIWHRDSSA-N 2 1 366.509 3.192 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000178314519 496408939 /nfs/dbraw/zinc/40/89/39/496408939.db2.gz QZCUXYPNNBVWIX-TZIWHRDSSA-N 2 1 366.509 3.192 10 0 FGAEMP CSc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178315573 496409905 /nfs/dbraw/zinc/40/99/05/496409905.db2.gz OSZZABDTDJJQTG-GOSISDBHSA-N 2 1 372.538 3.036 10 0 FGAEMP CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178315573 496409907 /nfs/dbraw/zinc/40/99/07/496409907.db2.gz OSZZABDTDJJQTG-GOSISDBHSA-N 2 1 372.538 3.036 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc4c(c3)sc(=O)n4C)C2)[nH+]1 ZINC000195001407 496786767 /nfs/dbraw/zinc/78/67/67/496786767.db2.gz NTZBIIFUUVCOND-MRXNPFEDSA-N 2 1 368.506 3.237 10 0 FGAEMP CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247438267 496858479 /nfs/dbraw/zinc/85/84/79/496858479.db2.gz XLJGPETXTMXHQF-SESVDKBCSA-N 2 1 372.557 3.165 10 0 FGAEMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261804509 497453804 /nfs/dbraw/zinc/45/38/04/497453804.db2.gz RCGFXEJSPQNIFB-RLLQIKCJSA-N 2 1 351.494 3.305 10 0 FGAEMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261804509 497453809 /nfs/dbraw/zinc/45/38/09/497453809.db2.gz RCGFXEJSPQNIFB-RLLQIKCJSA-N 2 1 351.494 3.305 10 0 FGAEMP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)cn2)c1 ZINC000262014725 497493094 /nfs/dbraw/zinc/49/30/94/497493094.db2.gz VYGJADQBBUTIAR-AQNXPRMDSA-N 2 1 371.456 3.260 10 0 FGAEMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc(C[NH+]2CCCCCC2)c1 ZINC000262041203 497497525 /nfs/dbraw/zinc/49/75/25/497497525.db2.gz YPLHFVXRFVGHCG-YTFSRNRJSA-N 3 1 371.569 3.309 10 0 FGAEMP CCc1nccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000245753203 497528479 /nfs/dbraw/zinc/52/84/79/497528479.db2.gz CPSBDGFERBTYFN-IAGOWNOFSA-N 2 1 368.481 3.004 10 0 FGAEMP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000262661421 497594429 /nfs/dbraw/zinc/59/44/29/497594429.db2.gz YDGHMCSPKRRSHM-VXKWHMMOSA-N 2 1 365.521 3.275 10 0 FGAEMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000194179815 497595206 /nfs/dbraw/zinc/59/52/06/497595206.db2.gz HBPPUBCTWNIOQT-QGZVFWFLSA-N 2 1 366.575 3.086 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N(C)[C@@H]3CCCC[C@H]3C)C2)[nH+]1 ZINC000246181996 497650777 /nfs/dbraw/zinc/65/07/77/497650777.db2.gz UVQXICNRTTZDOE-NZSAHSFTSA-N 2 1 358.530 3.161 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246457331 497739779 /nfs/dbraw/zinc/73/97/79/497739779.db2.gz JHEADHOOEFPXQP-CEWLAPEOSA-N 2 1 372.557 3.165 10 0 FGAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246457331 497739782 /nfs/dbraw/zinc/73/97/82/497739782.db2.gz JHEADHOOEFPXQP-CEWLAPEOSA-N 2 1 372.557 3.165 10 0 FGAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246457331 497739789 /nfs/dbraw/zinc/73/97/89/497739789.db2.gz JHEADHOOEFPXQP-CEWLAPEOSA-N 2 1 372.557 3.165 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246457378 497741403 /nfs/dbraw/zinc/74/14/03/497741403.db2.gz JHEADHOOEFPXQP-SESVDKBCSA-N 2 1 372.557 3.165 10 0 FGAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246457378 497741407 /nfs/dbraw/zinc/74/14/07/497741407.db2.gz JHEADHOOEFPXQP-SESVDKBCSA-N 2 1 372.557 3.165 10 0 FGAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246457378 497741412 /nfs/dbraw/zinc/74/14/12/497741412.db2.gz JHEADHOOEFPXQP-SESVDKBCSA-N 2 1 372.557 3.165 10 0 FGAEMP C[C@H](CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000263272065 497746535 /nfs/dbraw/zinc/74/65/35/497746535.db2.gz PHDNOAWNDCQCDG-HLAWJBBLSA-N 2 1 357.542 3.183 10 0 FGAEMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NCc1ccco1 ZINC000361254957 498364516 /nfs/dbraw/zinc/36/45/16/498364516.db2.gz GGGGSQLUMVJXQL-OHSMVPPVSA-N 2 1 367.493 3.070 10 0 FGAEMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NCc1ccco1 ZINC000361254957 498364521 /nfs/dbraw/zinc/36/45/21/498364521.db2.gz GGGGSQLUMVJXQL-OHSMVPPVSA-N 2 1 367.493 3.070 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(-c3ccccn3)c2)CC1 ZINC000121132619 494610636 /nfs/dbraw/zinc/61/06/36/494610636.db2.gz SYIWRCOFALCXLF-SFHVURJKSA-N 2 1 353.510 3.273 10 0 FGAEMP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000136956181 495412653 /nfs/dbraw/zinc/41/26/53/495412653.db2.gz FONJEOJBTIOWBD-QGZVFWFLSA-N 2 1 368.481 3.243 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000106216631 495434330 /nfs/dbraw/zinc/43/43/30/495434330.db2.gz JGGSSWNCJFBMIE-JENIJYKNSA-N 2 1 366.509 3.449 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000106216631 495434335 /nfs/dbraw/zinc/43/43/35/495434335.db2.gz JGGSSWNCJFBMIE-JENIJYKNSA-N 2 1 366.509 3.449 10 0 FGAEMP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000173458399 495538961 /nfs/dbraw/zinc/53/89/61/495538961.db2.gz ZPNAOKPIZGJJKY-RYRKJORJSA-N 2 1 355.486 3.057 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000176276098 495573773 /nfs/dbraw/zinc/57/37/73/495573773.db2.gz UVBUHSVIXBRROS-IBGZPJMESA-N 2 1 361.534 3.022 10 0 FGAEMP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154557790 495654355 /nfs/dbraw/zinc/65/43/55/495654355.db2.gz AWGOAFAQWGHZTP-NVXWUHKLSA-N 2 1 356.470 3.000 10 0 FGAEMP 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ZINC000180133461 495873249 /nfs/dbraw/zinc/87/32/49/495873249.db2.gz HEQJPPGYZSAOCX-LJQANCHMSA-N 2 1 371.481 3.025 10 0 FGAEMP COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1C ZINC000180133461 495873250 /nfs/dbraw/zinc/87/32/50/495873250.db2.gz HEQJPPGYZSAOCX-LJQANCHMSA-N 2 1 371.481 3.025 10 0 FGAEMP Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C)c1 ZINC000171648660 495967851 /nfs/dbraw/zinc/96/78/51/495967851.db2.gz AHFICMSFWYXONW-WOJBJXKFSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C)c1 ZINC000171648660 495967857 /nfs/dbraw/zinc/96/78/57/495967857.db2.gz AHFICMSFWYXONW-WOJBJXKFSA-N 2 1 369.509 3.181 10 0 FGAEMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186370554 495969796 /nfs/dbraw/zinc/96/97/96/495969796.db2.gz DOKGXRZOAGOYNS-HMXCVIKNSA-N 2 1 360.542 3.461 10 0 FGAEMP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171651018 495970581 /nfs/dbraw/zinc/97/05/81/495970581.db2.gz WTMBMMQBSNGPME-AZUAARDMSA-N 2 1 366.509 3.137 10 0 FGAEMP CCN(C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)[C@H](C)c1ccc(F)cc1 ZINC000178747523 496558355 /nfs/dbraw/zinc/55/83/55/496558355.db2.gz NAOKOVPTBMZIHR-OXQOHEQNSA-N 2 1 372.488 3.405 10 0 FGAEMP CCN(C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)[C@H](C)c1ccc(F)cc1 ZINC000178747523 496558364 /nfs/dbraw/zinc/55/83/64/496558364.db2.gz NAOKOVPTBMZIHR-OXQOHEQNSA-N 2 1 372.488 3.405 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000246976016 496740781 /nfs/dbraw/zinc/74/07/81/496740781.db2.gz ZVKADZNWKUFTME-MOPGFXCFSA-N 2 1 370.472 3.417 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000246976016 496740786 /nfs/dbraw/zinc/74/07/86/496740786.db2.gz ZVKADZNWKUFTME-MOPGFXCFSA-N 2 1 370.472 3.417 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000247115429 496784789 /nfs/dbraw/zinc/78/47/89/496784789.db2.gz RKPIMNDZFLBWPQ-VCBZYWHSSA-N 2 1 358.461 3.061 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000247115429 496784793 /nfs/dbraw/zinc/78/47/93/496784793.db2.gz RKPIMNDZFLBWPQ-VCBZYWHSSA-N 2 1 358.461 3.061 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000247175799 496799582 /nfs/dbraw/zinc/79/95/82/496799582.db2.gz VPSKWZFGFULJFD-LNLFQRSKSA-N 2 1 354.498 3.230 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000247175799 496799589 /nfs/dbraw/zinc/79/95/89/496799589.db2.gz VPSKWZFGFULJFD-LNLFQRSKSA-N 2 1 354.498 3.230 10 0 FGAEMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000247521815 496878525 /nfs/dbraw/zinc/87/85/25/496878525.db2.gz WUIMMPSTPUGJMJ-RBUKOAKNSA-N 2 1 370.493 3.102 10 0 FGAEMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000247521815 496878527 /nfs/dbraw/zinc/87/85/27/496878527.db2.gz WUIMMPSTPUGJMJ-RBUKOAKNSA-N 2 1 370.493 3.102 10 0 FGAEMP CCC[C@H]([NH3+])C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000236836418 497154722 /nfs/dbraw/zinc/15/47/22/497154722.db2.gz RLMVAXJRTCJLJY-FQEVSTJZSA-N 2 1 351.494 3.048 10 0 FGAEMP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000237920960 497315462 /nfs/dbraw/zinc/31/54/62/497315462.db2.gz NBFBMWPVYBVHPQ-UXHICEINSA-N 2 1 355.526 3.161 10 0 FGAEMP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@H]1c1ccccc1 ZINC000261892039 497469990 /nfs/dbraw/zinc/46/99/90/497469990.db2.gz ZUMYMDRLKVLLBM-CTNGQTDRSA-N 2 1 359.473 3.453 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@H]1c1ccccc1 ZINC000261892039 497469993 /nfs/dbraw/zinc/46/99/93/497469993.db2.gz ZUMYMDRLKVLLBM-CTNGQTDRSA-N 2 1 359.473 3.453 10 0 FGAEMP FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261924761 497477464 /nfs/dbraw/zinc/47/74/64/497477464.db2.gz KXUSNUMKYQUHPW-HCXYKTFWSA-N 2 1 366.452 3.412 10 0 FGAEMP COC(=O)c1ccc(CN2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)cc1 ZINC000190470287 497493213 /nfs/dbraw/zinc/49/32/13/497493213.db2.gz TUOPMWOAHLXYNX-KRWDZBQOSA-N 2 1 373.522 3.192 10 0 FGAEMP COC(=O)c1ccc(CN2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)cc1 ZINC000190470287 497493215 /nfs/dbraw/zinc/49/32/15/497493215.db2.gz TUOPMWOAHLXYNX-KRWDZBQOSA-N 2 1 373.522 3.192 10 0 FGAEMP Cc1cccc(C)c1OCC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262066473 497502857 /nfs/dbraw/zinc/50/28/57/497502857.db2.gz BBTCJULLSDEDEZ-IBGZPJMESA-N 2 1 368.525 3.060 10 0 FGAEMP Cc1cccc(C)c1OCC[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262066473 497502865 /nfs/dbraw/zinc/50/28/65/497502865.db2.gz BBTCJULLSDEDEZ-IBGZPJMESA-N 2 1 368.525 3.060 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N[C@H](C)c3ccccc3)C2)[nH+]1 ZINC000246133075 497632016 /nfs/dbraw/zinc/63/20/16/497632016.db2.gz MVCABWWGVQPSHZ-QYZOEREBSA-N 2 1 366.509 3.390 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N(C)[C@H]3CCCC[C@H]3C)C2)[nH+]1 ZINC000246181990 497650719 /nfs/dbraw/zinc/65/07/19/497650719.db2.gz UVQXICNRTTZDOE-NEWSRXKRSA-N 2 1 358.530 3.161 10 0 FGAEMP COCC[N@@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@@H]1C ZINC000301798309 498268767 /nfs/dbraw/zinc/26/87/67/498268767.db2.gz RACBGDQCRYUXQY-ZDUSSCGKSA-N 2 1 353.388 3.411 10 0 FGAEMP COCC[N@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@@H]1C ZINC000301798309 498268776 /nfs/dbraw/zinc/26/87/76/498268776.db2.gz RACBGDQCRYUXQY-ZDUSSCGKSA-N 2 1 353.388 3.411 10 0 FGAEMP CCc1cc(NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000302044826 498382532 /nfs/dbraw/zinc/38/25/32/498382532.db2.gz KADSYRKWCRCJLZ-HXUWFJFHSA-N 2 1 354.498 3.205 10 0 FGAEMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000311910187 498756468 /nfs/dbraw/zinc/75/64/68/498756468.db2.gz DZZBDFFJJWOPIC-FYZZASKESA-N 2 1 350.510 3.298 10 0 FGAEMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188672323 712774659 /nfs/dbraw/zinc/77/46/59/712774659.db2.gz YLHWWRTUXNAJCK-OKZBNKHCSA-N 2 1 353.551 3.486 10 0 FGAEMP Cc1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012306312 494222416 /nfs/dbraw/zinc/22/24/16/494222416.db2.gz ADOKIMZWJVOHOH-QFIPXVFZSA-N 2 1 372.557 3.476 10 0 FGAEMP Cc1[nH+]ccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012306312 494222421 /nfs/dbraw/zinc/22/24/21/494222421.db2.gz ADOKIMZWJVOHOH-QFIPXVFZSA-N 2 1 372.557 3.476 10 0 FGAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000067408130 494534227 /nfs/dbraw/zinc/53/42/27/494534227.db2.gz WJUWSKYKOIUROV-NRFANRHFSA-N 2 1 372.557 3.024 10 0 FGAEMP CC[NH+]1CCC[C@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000067408130 494534231 /nfs/dbraw/zinc/53/42/31/494534231.db2.gz WJUWSKYKOIUROV-NRFANRHFSA-N 2 1 372.557 3.024 10 0 FGAEMP CC[NH+]1CCC[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000067408130 494534236 /nfs/dbraw/zinc/53/42/36/494534236.db2.gz WJUWSKYKOIUROV-NRFANRHFSA-N 2 1 372.557 3.024 10 0 FGAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123298708 495110270 /nfs/dbraw/zinc/11/02/70/495110270.db2.gz MPKFFVMVMQYFGF-OXJNMPFZSA-N 2 1 369.513 3.367 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123298708 495110273 /nfs/dbraw/zinc/11/02/73/495110273.db2.gz MPKFFVMVMQYFGF-OXJNMPFZSA-N 2 1 369.513 3.367 10 0 FGAEMP O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000114562870 495392202 /nfs/dbraw/zinc/39/22/02/495392202.db2.gz JKXDTFUHOJBWPH-FGZHOGPDSA-N 2 1 360.542 3.152 10 0 FGAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000154545169 495650177 /nfs/dbraw/zinc/65/01/77/495650177.db2.gz ARXBCMZTECBNSY-XEPPQERFSA-N 2 1 370.541 3.129 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000154545169 495650184 /nfs/dbraw/zinc/65/01/84/495650184.db2.gz ARXBCMZTECBNSY-XEPPQERFSA-N 2 1 370.541 3.129 10 0 FGAEMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C12CCOCC2 ZINC000186249380 495914379 /nfs/dbraw/zinc/91/43/79/495914379.db2.gz KPCZGTIUUHWYDH-ZGXWSNOMSA-N 2 1 352.563 3.308 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000178319037 496411164 /nfs/dbraw/zinc/41/11/64/496411164.db2.gz FVZYBFXBDFYOGY-OAQYLSRUSA-N 2 1 366.509 3.156 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000178319037 496411166 /nfs/dbraw/zinc/41/11/66/496411166.db2.gz FVZYBFXBDFYOGY-OAQYLSRUSA-N 2 1 366.509 3.156 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000175778542 496542432 /nfs/dbraw/zinc/54/24/32/496542432.db2.gz ACIZXKQQSRDJDO-ZWKOTPCHSA-N 2 1 358.873 3.115 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000175778542 496542437 /nfs/dbraw/zinc/54/24/37/496542437.db2.gz ACIZXKQQSRDJDO-ZWKOTPCHSA-N 2 1 358.873 3.115 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000178753875 496560378 /nfs/dbraw/zinc/56/03/78/496560378.db2.gz UTFBFJKGHQBTGH-NHCUHLMSSA-N 2 1 368.525 3.212 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000178753875 496560383 /nfs/dbraw/zinc/56/03/83/496560383.db2.gz UTFBFJKGHQBTGH-NHCUHLMSSA-N 2 1 368.525 3.212 10 0 FGAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164778647 496632147 /nfs/dbraw/zinc/63/21/47/496632147.db2.gz YUOXJUKUMPDKSW-QUCCMNQESA-N 2 1 357.542 3.134 10 0 FGAEMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)c1ccco1 ZINC000176012927 496643532 /nfs/dbraw/zinc/64/35/32/496643532.db2.gz PPIZYUYPJMNJKH-ROUUACIJSA-N 2 1 373.501 3.042 10 0 FGAEMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000247487452 496870482 /nfs/dbraw/zinc/87/04/82/496870482.db2.gz KXSVCINRAAMQDH-RXVVDRJESA-N 2 1 370.541 3.051 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000247587765 496893493 /nfs/dbraw/zinc/89/34/93/496893493.db2.gz JGGSSWNCJFBMIE-ZHALLVOQSA-N 2 1 366.509 3.449 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000247587765 496893494 /nfs/dbraw/zinc/89/34/94/496893494.db2.gz JGGSSWNCJFBMIE-ZHALLVOQSA-N 2 1 366.509 3.449 10 0 FGAEMP Cc1nnc([C@@H]2CC3(C[N@@H+]2CC(C)C)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257190642 497388228 /nfs/dbraw/zinc/38/82/28/497388228.db2.gz NENXNGOSRSKRBD-IBGZPJMESA-N 2 1 369.513 3.458 10 0 FGAEMP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc3c1OCO3)CC2 ZINC000275742287 497419337 /nfs/dbraw/zinc/41/93/37/497419337.db2.gz PUKSYCKGUAIUFM-KRWDZBQOSA-N 2 1 371.506 3.358 10 0 FGAEMP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc3c1OCO3)CC2 ZINC000275742287 497419342 /nfs/dbraw/zinc/41/93/42/497419342.db2.gz PUKSYCKGUAIUFM-KRWDZBQOSA-N 2 1 371.506 3.358 10 0 FGAEMP CN(c1ccccc1C[N@H+]1CCO[C@H]2CCCC[C@H]21)C1CC[NH+](C)CC1 ZINC000245513610 497436583 /nfs/dbraw/zinc/43/65/83/497436583.db2.gz CZXJVHHXOYYWBC-YADHBBJMSA-N 2 1 357.542 3.360 10 0 FGAEMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000261886640 497469200 /nfs/dbraw/zinc/46/92/00/497469200.db2.gz FZKVQKBWPRLIMS-ZRBLBEILSA-N 3 1 371.569 3.165 10 0 FGAEMP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261947776 497481352 /nfs/dbraw/zinc/48/13/52/497481352.db2.gz NUAWRJCQBUKTEX-KURKYZTESA-N 2 1 372.431 3.012 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CN(c4ccccc4)C(=O)O3)C2)[nH+]1 ZINC000246620786 497790124 /nfs/dbraw/zinc/79/01/24/497790124.db2.gz HDEIYGLYTBVYHR-HKUYNNGSSA-N 2 1 366.465 3.149 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CN(c4ccccc4)C(=O)O3)C2)[nH+]1 ZINC000246620786 497790128 /nfs/dbraw/zinc/79/01/28/497790128.db2.gz HDEIYGLYTBVYHR-HKUYNNGSSA-N 2 1 366.465 3.149 10 0 FGAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)[C@H]3C2)cc1 ZINC000312598048 498761106 /nfs/dbraw/zinc/76/11/06/498761106.db2.gz XVAIZOZGMPXYDC-CMOCDZPBSA-N 2 1 370.537 3.215 10 0 FGAEMP CCc1ccc([C@H]2CCCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000124824345 495349869 /nfs/dbraw/zinc/34/98/69/495349869.db2.gz TUFUDDBCVJHUAJ-LJQANCHMSA-N 2 1 361.530 3.358 10 0 FGAEMP CCc1ccc([C@H]2CCCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000124824345 495349872 /nfs/dbraw/zinc/34/98/72/495349872.db2.gz TUFUDDBCVJHUAJ-LJQANCHMSA-N 2 1 361.530 3.358 10 0 FGAEMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000106427517 495455693 /nfs/dbraw/zinc/45/56/93/495455693.db2.gz WWKDMHTVVKTMAM-OALUTQOASA-N 2 1 371.550 3.174 10 0 FGAEMP C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182378470 495539465 /nfs/dbraw/zinc/53/94/65/495539465.db2.gz FCRYZILHEAJMTG-CUWPLCDZSA-N 2 1 372.557 3.242 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)Nc3cccc(F)c3)C2)[nH+]1 ZINC000170790303 495606316 /nfs/dbraw/zinc/60/63/16/495606316.db2.gz TYVDGCTXROJXKY-INIZCTEOSA-N 2 1 356.445 3.292 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)Nc3cccc(F)c3)C2)[nH+]1 ZINC000170790303 495606322 /nfs/dbraw/zinc/60/63/22/495606322.db2.gz TYVDGCTXROJXKY-INIZCTEOSA-N 2 1 356.445 3.292 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176407840 495640279 /nfs/dbraw/zinc/64/02/79/495640279.db2.gz VEOQOBDNHFHCIC-HXUWFJFHSA-N 2 1 373.545 3.163 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2OCC(F)(F)F)CC1 ZINC000173682250 495646391 /nfs/dbraw/zinc/64/63/91/495646391.db2.gz PMVBNSWFOCUJMP-OAHLLOKOSA-N 2 1 374.447 3.152 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)COc3c(C)cccc3C)C2)[nH+]1 ZINC000171650483 495968520 /nfs/dbraw/zinc/96/85/20/495968520.db2.gz CBPOZMDQHDXNNZ-UXHICEINSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)COc3c(C)cccc3C)C2)[nH+]1 ZINC000171650483 495968528 /nfs/dbraw/zinc/96/85/28/495968528.db2.gz CBPOZMDQHDXNNZ-UXHICEINSA-N 2 1 369.509 3.181 10 0 FGAEMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000177557794 496111636 /nfs/dbraw/zinc/11/16/36/496111636.db2.gz FRECLXIAVYSEHQ-FQEVSTJZSA-N 2 1 367.541 3.193 10 0 FGAEMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000156391892 496231988 /nfs/dbraw/zinc/23/19/88/496231988.db2.gz BJKDJRAXSCWHQQ-FXAWDEMLSA-N 2 1 360.546 3.056 10 0 FGAEMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178301525 496403625 /nfs/dbraw/zinc/40/36/25/496403625.db2.gz HNVYKNFDIPZDHX-OAQYLSRUSA-N 2 1 368.525 3.403 10 0 FGAEMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178301525 496403631 /nfs/dbraw/zinc/40/36/31/496403631.db2.gz HNVYKNFDIPZDHX-OAQYLSRUSA-N 2 1 368.525 3.403 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)[nH+]1 ZINC000172771137 496423268 /nfs/dbraw/zinc/42/32/68/496423268.db2.gz HDEIYGLYTBVYHR-PKOBYXMFSA-N 2 1 366.465 3.149 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)[nH+]1 ZINC000172771137 496423277 /nfs/dbraw/zinc/42/32/77/496423277.db2.gz HDEIYGLYTBVYHR-PKOBYXMFSA-N 2 1 366.465 3.149 10 0 FGAEMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000158046835 496615433 /nfs/dbraw/zinc/61/54/33/496615433.db2.gz ZYOJZPYERCXSLE-SFHVURJKSA-N 2 1 373.541 3.353 10 0 FGAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246997814 496746931 /nfs/dbraw/zinc/74/69/31/496746931.db2.gz GTPVEQMWPXXEGO-ZFMNYDKASA-N 2 1 372.557 3.067 10 0 FGAEMP Cc1cnn(CCCCC[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195271123 496870697 /nfs/dbraw/zinc/87/06/97/496870697.db2.gz SBHAXHDJVHANDJ-OAQYLSRUSA-N 2 1 355.530 3.211 10 0 FGAEMP Cc1cnn(CCCCC[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195271123 496870704 /nfs/dbraw/zinc/87/07/04/496870704.db2.gz SBHAXHDJVHANDJ-OAQYLSRUSA-N 2 1 355.530 3.211 10 0 FGAEMP Cc1cnn(CCCCC[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195271123 496870708 /nfs/dbraw/zinc/87/07/08/496870708.db2.gz SBHAXHDJVHANDJ-OAQYLSRUSA-N 2 1 355.530 3.211 10 0 FGAEMP Cc1cnn(CCCCC[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195271123 496870715 /nfs/dbraw/zinc/87/07/15/496870715.db2.gz SBHAXHDJVHANDJ-OAQYLSRUSA-N 2 1 355.530 3.211 10 0 FGAEMP CCc1csc([C@@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000192729128 497197836 /nfs/dbraw/zinc/19/78/36/497197836.db2.gz PHGPZSAHNMCUMF-GOSISDBHSA-N 2 1 364.603 3.301 10 0 FGAEMP Cc1cncc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000189873404 497276104 /nfs/dbraw/zinc/27/61/04/497276104.db2.gz JEXREMBEBQMHGW-JOCHJYFZSA-N 2 1 353.510 3.267 10 0 FGAEMP CSc1ccccc1NC(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261743639 497443358 /nfs/dbraw/zinc/44/33/58/497443358.db2.gz MVDZFAFPWFCTKJ-MSOLQXFVSA-N 2 1 369.534 3.411 10 0 FGAEMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261757640 497445868 /nfs/dbraw/zinc/44/58/68/497445868.db2.gz NVQWBFDKUUYCEH-BHIFYINESA-N 2 1 365.521 3.270 10 0 FGAEMP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261960106 497483676 /nfs/dbraw/zinc/48/36/76/497483676.db2.gz PLSWIEAHJUYWCZ-YTFSRNRJSA-N 3 1 371.569 3.309 10 0 FGAEMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000245678851 497498764 /nfs/dbraw/zinc/49/87/64/497498764.db2.gz GFAPRLMTXSKSEE-HMXCVIKNSA-N 2 1 372.557 3.165 10 0 FGAEMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000245678851 497498766 /nfs/dbraw/zinc/49/87/66/497498766.db2.gz GFAPRLMTXSKSEE-HMXCVIKNSA-N 2 1 372.557 3.165 10 0 FGAEMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000245678851 497498769 /nfs/dbraw/zinc/49/87/69/497498769.db2.gz GFAPRLMTXSKSEE-HMXCVIKNSA-N 2 1 372.557 3.165 10 0 FGAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000245960465 497584780 /nfs/dbraw/zinc/58/47/80/497584780.db2.gz SATUZOKLARRFHZ-WBVHZDCISA-N 2 1 363.465 3.231 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000245960465 497584783 /nfs/dbraw/zinc/58/47/83/497584783.db2.gz SATUZOKLARRFHZ-WBVHZDCISA-N 2 1 363.465 3.231 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NCc3ccccc3C)C2)[nH+]1 ZINC000246143780 497636295 /nfs/dbraw/zinc/63/62/95/497636295.db2.gz ODZCOVNWMZDVQL-MOPGFXCFSA-N 2 1 366.509 3.137 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H]3CN(c4ccccc4)C(=O)O3)C2)[nH+]1 ZINC000246620797 497789854 /nfs/dbraw/zinc/78/98/54/497789854.db2.gz HDEIYGLYTBVYHR-MJGOQNOKSA-N 2 1 366.465 3.149 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H]3CN(c4ccccc4)C(=O)O3)C2)[nH+]1 ZINC000246620797 497789858 /nfs/dbraw/zinc/78/98/58/497789858.db2.gz HDEIYGLYTBVYHR-MJGOQNOKSA-N 2 1 366.465 3.149 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc3ccccc3nc2Cl)CC1 ZINC000106126002 700506683 /nfs/dbraw/zinc/50/66/83/700506683.db2.gz QSUQJTUZWWZQKW-HNNXBMFYSA-N 2 1 361.917 3.413 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000072810382 494255584 /nfs/dbraw/zinc/25/55/84/494255584.db2.gz JZDJUKODEUQHMI-BAGYTPMASA-N 2 1 371.569 3.272 10 0 FGAEMP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000136956959 495412436 /nfs/dbraw/zinc/41/24/36/495412436.db2.gz GXSNHLNGHOCSEV-QGZVFWFLSA-N 2 1 368.481 3.243 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Br)ccc2F)CC1 ZINC000106124552 495417610 /nfs/dbraw/zinc/41/76/10/495417610.db2.gz DRBZEUZKGPDCMX-CYBMUJFWSA-N 2 1 373.310 3.113 10 0 FGAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000106427524 495455041 /nfs/dbraw/zinc/45/50/41/495455041.db2.gz WWKDMHTVVKTMAM-RTBURBONSA-N 2 1 371.550 3.174 10 0 FGAEMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000106427489 495455640 /nfs/dbraw/zinc/45/56/40/495455640.db2.gz DETZDENTTXOAHE-VXKWHMMOSA-N 2 1 365.521 3.113 10 0 FGAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173540298 495580661 /nfs/dbraw/zinc/58/06/61/495580661.db2.gz SCAJDOYMKFNLKT-NHCUHLMSSA-N 2 1 370.541 3.051 10 0 FGAEMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000151328748 495806763 /nfs/dbraw/zinc/80/67/63/495806763.db2.gz QVURCFQXTNSJOD-DLBZAZTESA-N 2 1 355.320 3.337 10 0 FGAEMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000151341457 495809688 /nfs/dbraw/zinc/80/96/88/495809688.db2.gz IXUGKUGEDNZTGF-IAGOWNOFSA-N 2 1 355.320 3.337 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000177518461 496094937 /nfs/dbraw/zinc/09/49/37/496094937.db2.gz SMJOBKHOFCYUEM-RXVVDRJESA-N 2 1 372.557 3.338 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000177710555 496168688 /nfs/dbraw/zinc/16/86/88/496168688.db2.gz VMSMOIAALXWADC-CYBMUJFWSA-N 2 1 373.310 3.113 10 0 FGAEMP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178749963 496559858 /nfs/dbraw/zinc/55/98/58/496559858.db2.gz CXMDGNTVROPQBI-MRXNPFEDSA-N 2 1 358.511 3.407 10 0 FGAEMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178749963 496559865 /nfs/dbraw/zinc/55/98/65/496559865.db2.gz CXMDGNTVROPQBI-MRXNPFEDSA-N 2 1 358.511 3.407 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000247140198 496791942 /nfs/dbraw/zinc/79/19/42/496791942.db2.gz SUUPKZWSBGWKOP-LEWJYISDSA-N 2 1 366.509 3.410 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000247140198 496791943 /nfs/dbraw/zinc/79/19/43/496791943.db2.gz SUUPKZWSBGWKOP-LEWJYISDSA-N 2 1 366.509 3.410 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000247151039 496792540 /nfs/dbraw/zinc/79/25/40/496792540.db2.gz UHNPSKFYSXGHGV-MDZRGWNJSA-N 2 1 352.482 3.022 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000247151039 496792543 /nfs/dbraw/zinc/79/25/43/496792543.db2.gz UHNPSKFYSXGHGV-MDZRGWNJSA-N 2 1 352.482 3.022 10 0 FGAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248390620 496991569 /nfs/dbraw/zinc/99/15/69/496991569.db2.gz BKMYWVHBNZEEBS-WSTZPKSXSA-N 2 1 364.578 3.059 10 0 FGAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248390620 496991572 /nfs/dbraw/zinc/99/15/72/496991572.db2.gz BKMYWVHBNZEEBS-WSTZPKSXSA-N 2 1 364.578 3.059 10 0 FGAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248390620 496991578 /nfs/dbraw/zinc/99/15/78/496991578.db2.gz BKMYWVHBNZEEBS-WSTZPKSXSA-N 2 1 364.578 3.059 10 0 FGAEMP [NH3+][C@H]1CC[C@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000237926180 497314757 /nfs/dbraw/zinc/31/47/57/497314757.db2.gz NBFBMWPVYBVHPQ-PMACEKPBSA-N 2 1 355.526 3.161 10 0 FGAEMP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000237920826 497314822 /nfs/dbraw/zinc/31/48/22/497314822.db2.gz MDSFGDQGCLBUQT-RTWAWAEBSA-N 2 1 363.505 3.048 10 0 FGAEMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1OC1CCCC1 ZINC000261911097 497475306 /nfs/dbraw/zinc/47/53/06/497475306.db2.gz IZIROBJYSPFORC-AQNXPRMDSA-N 2 1 374.525 3.263 10 0 FGAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000261931369 497478525 /nfs/dbraw/zinc/47/85/25/497478525.db2.gz WHSCCJVIKOGAMP-XGNNGGHXSA-N 2 1 373.516 3.060 10 0 FGAEMP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1)C1CCCC1 ZINC000261956980 497482526 /nfs/dbraw/zinc/48/25/26/497482526.db2.gz PCIYUMBUHXPTSY-HBMCJLEFSA-N 2 1 371.525 3.062 10 0 FGAEMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262005721 497491839 /nfs/dbraw/zinc/49/18/39/497491839.db2.gz VBBAXBMFFGBFQL-YXIAPDDASA-N 2 1 358.526 3.209 10 0 FGAEMP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)s1 ZINC000190489098 497501981 /nfs/dbraw/zinc/50/19/81/497501981.db2.gz BJIHSNOKXWVUEA-SFHVURJKSA-N 2 1 373.570 3.338 10 0 FGAEMP CCN(CC)c1ncc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)s1 ZINC000190489098 497501984 /nfs/dbraw/zinc/50/19/84/497501984.db2.gz BJIHSNOKXWVUEA-SFHVURJKSA-N 2 1 373.570 3.338 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000246211779 497663271 /nfs/dbraw/zinc/66/32/71/497663271.db2.gz ALSOASVHSYDUST-YLJYHZDGSA-N 2 1 366.509 3.056 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000246211779 497663273 /nfs/dbraw/zinc/66/32/73/497663273.db2.gz ALSOASVHSYDUST-YLJYHZDGSA-N 2 1 366.509 3.056 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000246458161 497740538 /nfs/dbraw/zinc/74/05/38/497740538.db2.gz PDLOXAKQKQVMFJ-GQIGUUNPSA-N 2 1 369.513 3.270 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246458161 497740540 /nfs/dbraw/zinc/74/05/40/497740540.db2.gz PDLOXAKQKQVMFJ-GQIGUUNPSA-N 2 1 369.513 3.270 10 0 FGAEMP C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246759900 497808609 /nfs/dbraw/zinc/80/86/09/497808609.db2.gz NRMOZFXBMUCEIP-GJZGRUSLSA-N 2 1 350.426 3.022 10 0 FGAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)[C@@H]3C2)cc1 ZINC000312598047 498761954 /nfs/dbraw/zinc/76/19/54/498761954.db2.gz XVAIZOZGMPXYDC-CBPXPLCBSA-N 2 1 370.537 3.215 10 0 FGAEMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000379659838 499542543 /nfs/dbraw/zinc/54/25/43/499542543.db2.gz BFOLJIDETOGCBU-UNMCSNQZSA-N 2 1 363.505 3.044 10 0 FGAEMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000082147955 527413160 /nfs/dbraw/zinc/41/31/60/527413160.db2.gz RTDMFQMEQMXYOC-NRFANRHFSA-N 2 1 360.546 3.332 10 0 FGAEMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000082147955 527413167 /nfs/dbraw/zinc/41/31/67/527413167.db2.gz RTDMFQMEQMXYOC-NRFANRHFSA-N 2 1 360.546 3.332 10 0 FGAEMP Cc1cn2c(C[NH2+]C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)c(C)nc2s1 ZINC000840956777 730196942 /nfs/dbraw/zinc/19/69/42/730196942.db2.gz HMUGEJBBAXMDHD-WMZOPIPTSA-N 2 1 355.511 3.190 10 0 FGAEMP Cc1cn2c(C[NH2+]C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)c(C)nc2s1 ZINC000840956777 730196945 /nfs/dbraw/zinc/19/69/45/730196945.db2.gz HMUGEJBBAXMDHD-WMZOPIPTSA-N 2 1 355.511 3.190 10 0 FGAEMP CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000127319934 494927676 /nfs/dbraw/zinc/92/76/76/494927676.db2.gz QYUCEVHNBUPGQQ-IBGZPJMESA-N 2 1 374.529 3.157 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000101587048 495083421 /nfs/dbraw/zinc/08/34/21/495083421.db2.gz ZMOXKKPBRMHGKG-MRXNPFEDSA-N 2 1 356.445 3.292 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)Nc3ccc(F)cc3)C2)[nH+]1 ZINC000101587048 495083424 /nfs/dbraw/zinc/08/34/24/495083424.db2.gz ZMOXKKPBRMHGKG-MRXNPFEDSA-N 2 1 356.445 3.292 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)Nc3ccc(F)cc3)C2)[nH+]1 ZINC000101587048 495083427 /nfs/dbraw/zinc/08/34/27/495083427.db2.gz ZMOXKKPBRMHGKG-MRXNPFEDSA-N 2 1 356.445 3.292 10 0 FGAEMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000113515935 495308975 /nfs/dbraw/zinc/30/89/75/495308975.db2.gz WUIMMPSTPUGJMJ-MOPGFXCFSA-N 2 1 370.493 3.102 10 0 FGAEMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000113515935 495308979 /nfs/dbraw/zinc/30/89/79/495308979.db2.gz WUIMMPSTPUGJMJ-MOPGFXCFSA-N 2 1 370.493 3.102 10 0 FGAEMP CCc1noc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000106127678 495417050 /nfs/dbraw/zinc/41/70/50/495417050.db2.gz CVKPVEXBTPPZIR-LPHOPBHVSA-N 2 1 372.513 3.070 10 0 FGAEMP CCc1noc([C@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000106127678 495417055 /nfs/dbraw/zinc/41/70/55/495417055.db2.gz CVKPVEXBTPPZIR-LPHOPBHVSA-N 2 1 372.513 3.070 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2ccccc2C(F)(F)F)CC1 ZINC000106124622 495417076 /nfs/dbraw/zinc/41/70/76/495417076.db2.gz ISSSAGGFPLNAEW-HNNXBMFYSA-N 2 1 374.447 3.109 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000106124843 495417730 /nfs/dbraw/zinc/41/77/30/495417730.db2.gz HCFXSOUEVNZIEI-QGZVFWFLSA-N 2 1 373.566 3.259 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000106124843 495417736 /nfs/dbraw/zinc/41/77/36/495417736.db2.gz HCFXSOUEVNZIEI-QGZVFWFLSA-N 2 1 373.566 3.259 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000178311183 496408660 /nfs/dbraw/zinc/40/86/60/496408660.db2.gz RQEQMCBSSMWZMD-OAHLLOKOSA-N 2 1 364.852 3.477 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000178311183 496408664 /nfs/dbraw/zinc/40/86/64/496408664.db2.gz RQEQMCBSSMWZMD-OAHLLOKOSA-N 2 1 364.852 3.477 10 0 FGAEMP Cc1nccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1cccc(Br)c1 ZINC000178322368 496412582 /nfs/dbraw/zinc/41/25/82/496412582.db2.gz SRBWXPOUCOEWJL-SJORKVTESA-N 2 1 364.287 3.152 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(Br)c1 ZINC000178322368 496412585 /nfs/dbraw/zinc/41/25/85/496412585.db2.gz SRBWXPOUCOEWJL-SJORKVTESA-N 2 1 364.287 3.152 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1cccc(Br)c1 ZINC000178322368 496412590 /nfs/dbraw/zinc/41/25/90/496412590.db2.gz SRBWXPOUCOEWJL-SJORKVTESA-N 2 1 364.287 3.152 10 0 FGAEMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000247536728 496883136 /nfs/dbraw/zinc/88/31/36/496883136.db2.gz QDSBSUKVRMZEAG-NQIIRXRSSA-N 2 1 370.541 3.092 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000247598344 496894676 /nfs/dbraw/zinc/89/46/76/496894676.db2.gz KPSJMUUCIVGNRC-UYAOXDASSA-N 2 1 368.525 3.438 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000247598344 496894680 /nfs/dbraw/zinc/89/46/80/496894680.db2.gz KPSJMUUCIVGNRC-UYAOXDASSA-N 2 1 368.525 3.438 10 0 FGAEMP C[C@H](C(=O)N(C)C1CCCCC1)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248651370 497072873 /nfs/dbraw/zinc/07/28/73/497072873.db2.gz MXCUYZXKMDJBFH-QUCCMNQESA-N 2 1 372.557 3.015 10 0 FGAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193327535 497351029 /nfs/dbraw/zinc/35/10/29/497351029.db2.gz JDXDSVAJISTWSS-NRFANRHFSA-N 2 1 365.521 3.403 10 0 FGAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193327535 497351033 /nfs/dbraw/zinc/35/10/33/497351033.db2.gz JDXDSVAJISTWSS-NRFANRHFSA-N 2 1 365.521 3.403 10 0 FGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193327535 497351035 /nfs/dbraw/zinc/35/10/35/497351035.db2.gz JDXDSVAJISTWSS-NRFANRHFSA-N 2 1 365.521 3.403 10 0 FGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193327535 497351039 /nfs/dbraw/zinc/35/10/39/497351039.db2.gz JDXDSVAJISTWSS-NRFANRHFSA-N 2 1 365.521 3.403 10 0 FGAEMP Brc1cccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCOCC2)c1 ZINC000261751377 497444194 /nfs/dbraw/zinc/44/41/94/497444194.db2.gz CECIQGOZJQRQNC-MRXNPFEDSA-N 2 1 367.331 3.430 10 0 FGAEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C1 ZINC000261928224 497477318 /nfs/dbraw/zinc/47/73/18/497477318.db2.gz LKIZEVFTPHSIIV-YJSIEXFISA-N 2 1 371.569 3.165 10 0 FGAEMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261928224 497477321 /nfs/dbraw/zinc/47/73/21/497477321.db2.gz LKIZEVFTPHSIIV-YJSIEXFISA-N 3 1 371.569 3.165 10 0 FGAEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261928224 497477325 /nfs/dbraw/zinc/47/73/25/497477325.db2.gz LKIZEVFTPHSIIV-YJSIEXFISA-N 3 1 371.569 3.165 10 0 FGAEMP c1sc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262047219 497498867 /nfs/dbraw/zinc/49/88/67/497498867.db2.gz ZFHAYNVKRJYEQW-IPMKNSEASA-N 2 1 357.523 3.099 10 0 FGAEMP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262194084 497522322 /nfs/dbraw/zinc/52/23/22/497522322.db2.gz JXSKYTRUGJEUEI-PZBISTMVSA-N 2 1 363.505 3.027 10 0 FGAEMP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262194084 497522327 /nfs/dbraw/zinc/52/23/27/497522327.db2.gz JXSKYTRUGJEUEI-PZBISTMVSA-N 2 1 363.505 3.027 10 0 FGAEMP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245915539 497570525 /nfs/dbraw/zinc/57/05/25/497570525.db2.gz FJEJYNGLSZTBQB-IRXDYDNUSA-N 2 1 359.474 3.150 10 0 FGAEMP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245915539 497570526 /nfs/dbraw/zinc/57/05/26/497570526.db2.gz FJEJYNGLSZTBQB-IRXDYDNUSA-N 2 1 359.474 3.150 10 0 FGAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246003982 497594605 /nfs/dbraw/zinc/59/46/05/497594605.db2.gz GCYYPHCXKNLIEP-LVCYWYKZSA-N 2 1 372.557 3.010 10 0 FGAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000246273729 497679817 /nfs/dbraw/zinc/67/98/17/497679817.db2.gz JCIAKLVHXXZHMZ-HMXCVIKNSA-N 2 1 372.557 3.023 10 0 FGAEMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000246273729 497679822 /nfs/dbraw/zinc/67/98/22/497679822.db2.gz JCIAKLVHXXZHMZ-HMXCVIKNSA-N 2 1 372.557 3.023 10 0 FGAEMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000246273729 497679824 /nfs/dbraw/zinc/67/98/24/497679824.db2.gz JCIAKLVHXXZHMZ-HMXCVIKNSA-N 2 1 372.557 3.023 10 0 FGAEMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000246750860 497808046 /nfs/dbraw/zinc/80/80/46/497808046.db2.gz BJKDJRAXSCWHQQ-YLJYHZDGSA-N 2 1 360.546 3.056 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(-c3cccnc3)c2)CC1 ZINC000121106550 494598281 /nfs/dbraw/zinc/59/82/81/494598281.db2.gz GFQVXKZCKZUSSD-GOSISDBHSA-N 2 1 353.510 3.273 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(-c3cccs3)s2)CC1 ZINC000121130355 494610038 /nfs/dbraw/zinc/61/00/38/494610038.db2.gz DTDNMMQUBQSGDA-CQSZACIVSA-N 2 1 365.568 3.396 10 0 FGAEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(Br)c1 ZINC000121131963 494610782 /nfs/dbraw/zinc/61/07/82/494610782.db2.gz RNCWRMSZELJRDZ-OAHLLOKOSA-N 2 1 369.347 3.282 10 0 FGAEMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000118545941 495008572 /nfs/dbraw/zinc/00/85/72/495008572.db2.gz NQKBSNAHPAMPMN-SFHVURJKSA-N 2 1 362.518 3.013 10 0 FGAEMP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nc(C2CC2)no1 ZINC000112550114 495204243 /nfs/dbraw/zinc/20/42/43/495204243.db2.gz HAEPDKGHABWRJP-DNVCBOLYSA-N 2 1 370.497 3.043 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2csc(Nc3ccccc3)n2)CC1 ZINC000106124944 495417223 /nfs/dbraw/zinc/41/72/23/495417223.db2.gz CMCOPJZNOFVMAE-INIZCTEOSA-N 2 1 374.554 3.411 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2csc(Nc3ccccc3)n2)CC1 ZINC000106124944 495417227 /nfs/dbraw/zinc/41/72/27/495417227.db2.gz CMCOPJZNOFVMAE-INIZCTEOSA-N 2 1 374.554 3.411 10 0 FGAEMP Cc1noc(C)c1C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128036 495418458 /nfs/dbraw/zinc/41/84/58/495418458.db2.gz LUIGJOBFNUVTSO-OAQYLSRUSA-N 2 1 357.498 3.169 10 0 FGAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000173568133 495591859 /nfs/dbraw/zinc/59/18/59/495591859.db2.gz PFICSAAQNBGDGR-NHCUHLMSSA-N 2 1 370.541 3.051 10 0 FGAEMP CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000247855876 496921328 /nfs/dbraw/zinc/92/13/28/496921328.db2.gz YDHHDPQJBKOOJK-OLMNPRSZSA-N 2 1 369.912 3.318 10 0 FGAEMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248649014 497071901 /nfs/dbraw/zinc/07/19/01/497071901.db2.gz KGKXKEUVSBONAK-HLAWJBBLSA-N 2 1 372.557 3.015 10 0 FGAEMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248649014 497071904 /nfs/dbraw/zinc/07/19/04/497071904.db2.gz KGKXKEUVSBONAK-HLAWJBBLSA-N 2 1 372.557 3.015 10 0 FGAEMP C[C@@H]1CCC[C@@H](N(Cc2noc(C[NH3+])n2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000261645341 497426312 /nfs/dbraw/zinc/42/63/12/497426312.db2.gz FXPDJTGZVQMGRB-IIAWOOMASA-N 2 1 372.469 3.084 10 0 FGAEMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000261886638 497468849 /nfs/dbraw/zinc/46/88/49/497468849.db2.gz FZKVQKBWPRLIMS-YTFSRNRJSA-N 3 1 371.569 3.165 10 0 FGAEMP C[NH+](C)[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000261893246 497470104 /nfs/dbraw/zinc/47/01/04/497470104.db2.gz ZXNVRQWNWPIGFQ-YZGWKJHDSA-N 2 1 371.912 3.144 10 0 FGAEMP c1sc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)nc1C1CCCCC1 ZINC000261905886 497472648 /nfs/dbraw/zinc/47/26/48/497472648.db2.gz IGJLIXRJGKHQRD-KSZLIROESA-N 2 1 363.571 3.480 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261983023 497488005 /nfs/dbraw/zinc/48/80/05/497488005.db2.gz RWPAWVZLZOKREN-RLLPEYFOSA-N 2 1 371.569 3.308 10 0 FGAEMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261983023 497488009 /nfs/dbraw/zinc/48/80/09/497488009.db2.gz RWPAWVZLZOKREN-RLLPEYFOSA-N 3 1 371.569 3.308 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261983023 497488017 /nfs/dbraw/zinc/48/80/17/497488017.db2.gz RWPAWVZLZOKREN-RLLPEYFOSA-N 3 1 371.569 3.308 10 0 FGAEMP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000262013213 497492726 /nfs/dbraw/zinc/49/27/26/497492726.db2.gz VTGUJIKTXQODPC-RLLQIKCJSA-N 2 1 358.526 3.254 10 0 FGAEMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc(C[NH+]2CCCCCC2)c1 ZINC000262041205 497497744 /nfs/dbraw/zinc/49/77/44/497497744.db2.gz YPLHFVXRFVGHCG-ZRBLBEILSA-N 3 1 371.569 3.309 10 0 FGAEMP CCN(CC)c1ncc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)s1 ZINC000190489078 497501468 /nfs/dbraw/zinc/50/14/68/497501468.db2.gz BJIHSNOKXWVUEA-GOSISDBHSA-N 2 1 373.570 3.338 10 0 FGAEMP CCN(CC)c1ncc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)s1 ZINC000190489078 497501475 /nfs/dbraw/zinc/50/14/75/497501475.db2.gz BJIHSNOKXWVUEA-GOSISDBHSA-N 2 1 373.570 3.338 10 0 FGAEMP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262194076 497522762 /nfs/dbraw/zinc/52/27/62/497522762.db2.gz JXSKYTRUGJEUEI-DGQTTZFYSA-N 2 1 363.505 3.027 10 0 FGAEMP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262194076 497522769 /nfs/dbraw/zinc/52/27/69/497522769.db2.gz JXSKYTRUGJEUEI-DGQTTZFYSA-N 2 1 363.505 3.027 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000245930324 497576311 /nfs/dbraw/zinc/57/63/11/497576311.db2.gz IYKMEZZHWKDFEP-NJAFHUGGSA-N 2 1 372.538 3.470 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000245930324 497576314 /nfs/dbraw/zinc/57/63/14/497576314.db2.gz IYKMEZZHWKDFEP-NJAFHUGGSA-N 2 1 372.538 3.470 10 0 FGAEMP Cc1nccn1-c1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000246134501 497633342 /nfs/dbraw/zinc/63/33/42/497633342.db2.gz YUQKFSCVXFBJTK-GQIGUUNPSA-N 2 1 367.497 3.120 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246134501 497633347 /nfs/dbraw/zinc/63/33/47/497633347.db2.gz YUQKFSCVXFBJTK-GQIGUUNPSA-N 2 1 367.497 3.120 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000246134501 497633350 /nfs/dbraw/zinc/63/33/50/497633350.db2.gz YUQKFSCVXFBJTK-GQIGUUNPSA-N 2 1 367.497 3.120 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1c2ccccc2CC[C@H]1C ZINC000246924015 497820577 /nfs/dbraw/zinc/82/05/77/497820577.db2.gz GSGWIKZMINQQHP-VQIMIIECSA-N 2 1 352.482 3.024 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1c2ccccc2CC[C@H]1C ZINC000246924015 497820578 /nfs/dbraw/zinc/82/05/78/497820578.db2.gz GSGWIKZMINQQHP-VQIMIIECSA-N 2 1 352.482 3.024 10 0 FGAEMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784273 700504937 /nfs/dbraw/zinc/50/49/37/700504937.db2.gz LHTWRJJRAJIFRD-ULQDDVLXSA-N 2 1 351.535 3.096 10 0 FGAEMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000174453662 705504985 /nfs/dbraw/zinc/50/49/85/705504985.db2.gz LIIPZUKOSZRBIK-KRWDZBQOSA-N 2 1 350.507 3.208 10 0 FGAEMP O[C@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044331 705725795 /nfs/dbraw/zinc/72/57/95/705725795.db2.gz KBTTXDJYZUKDJY-MSOLQXFVSA-N 2 1 367.331 3.337 10 0 FGAEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000261755407 713713858 /nfs/dbraw/zinc/71/38/58/713713858.db2.gz CLPITHCROSRJKR-INIZCTEOSA-N 2 1 356.539 3.373 10 0 FGAEMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261865678 713715507 /nfs/dbraw/zinc/71/55/07/713715507.db2.gz CPQLYLSHVWKMHT-ZACQAIPSSA-N 2 1 353.304 3.004 10 0 FGAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000301314900 713781714 /nfs/dbraw/zinc/78/17/14/713781714.db2.gz SPBGRGFJBYSEFI-OKZBNKHCSA-N 2 1 353.551 3.342 10 0 FGAEMP C[N@@H+](C[C@H](O)COCc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110045 493825444 /nfs/dbraw/zinc/82/54/44/493825444.db2.gz OMBAJEUUEHXDOP-PKTZIBPZSA-N 2 1 368.521 3.018 10 0 FGAEMP C[NH+](C[C@H](O)COCc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110045 493825450 /nfs/dbraw/zinc/82/54/50/493825450.db2.gz OMBAJEUUEHXDOP-PKTZIBPZSA-N 2 1 368.521 3.018 10 0 FGAEMP C[NH+](C[C@H](O)COCc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110045 493825457 /nfs/dbraw/zinc/82/54/57/493825457.db2.gz OMBAJEUUEHXDOP-PKTZIBPZSA-N 2 1 368.521 3.018 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(C3CCCC3)s2)CC1 ZINC000121095169 494593664 /nfs/dbraw/zinc/59/36/64/494593664.db2.gz FDWWYPLXGUUMOI-OAHLLOKOSA-N 2 1 351.560 3.325 10 0 FGAEMP COCCOc1cccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000092813088 494757355 /nfs/dbraw/zinc/75/73/55/494757355.db2.gz KDGMMSDYQIJBET-LJQANCHMSA-N 2 1 355.482 3.349 10 0 FGAEMP COCCOc1cccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000092813088 494757367 /nfs/dbraw/zinc/75/73/67/494757367.db2.gz KDGMMSDYQIJBET-LJQANCHMSA-N 2 1 355.482 3.349 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccccc3N3CCOCC3)C2)[nH+]1 ZINC000092813340 494762013 /nfs/dbraw/zinc/76/20/13/494762013.db2.gz HMQASQASTKMNQX-LJQANCHMSA-N 2 1 366.509 3.161 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccccc3N3CCOCC3)C2)[nH+]1 ZINC000092813340 494762023 /nfs/dbraw/zinc/76/20/23/494762023.db2.gz HMQASQASTKMNQX-LJQANCHMSA-N 2 1 366.509 3.161 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2cccc(Cl)c2)CC1 ZINC000106124576 495417042 /nfs/dbraw/zinc/41/70/42/495417042.db2.gz GCGLJKDJQQXKSC-INIZCTEOSA-N 2 1 354.922 3.134 10 0 FGAEMP C[N@@H+](CCc1ccccn1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128325 495418525 /nfs/dbraw/zinc/41/85/25/495418525.db2.gz LIZXGRFQVBCFKX-QFIPXVFZSA-N 2 1 353.510 3.002 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2OCC(F)(F)F)CC1 ZINC000173682236 495645668 /nfs/dbraw/zinc/64/56/68/495645668.db2.gz PMVBNSWFOCUJMP-HNNXBMFYSA-N 2 1 374.447 3.152 10 0 FGAEMP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000180126823 495868915 /nfs/dbraw/zinc/86/89/15/495868915.db2.gz OAOFXOHZVGRGRY-OAHLLOKOSA-N 2 1 351.397 3.466 10 0 FGAEMP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000180126823 495868921 /nfs/dbraw/zinc/86/89/21/495868921.db2.gz OAOFXOHZVGRGRY-OAHLLOKOSA-N 2 1 351.397 3.466 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)Cc3ccccc3)C2)[nH+]1 ZINC000171652488 495972197 /nfs/dbraw/zinc/97/21/97/495972197.db2.gz AXIHFRUFTOOSDH-ICSRJNTNSA-N 2 1 366.509 3.171 10 0 FGAEMP CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC000180617960 496071594 /nfs/dbraw/zinc/07/15/94/496071594.db2.gz LLMBNLJPKNYQDP-PBHICJAKSA-N 2 1 350.470 3.000 10 0 FGAEMP CCOC(=O)[C@H](c1ccccc1)N1CC[C@H](CNc2cccc(C)n2)C1 ZINC000171922983 496093336 /nfs/dbraw/zinc/09/33/36/496093336.db2.gz RNPRESLWCLRFIS-XLIONFOSSA-N 2 1 353.466 3.428 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152701987 496231036 /nfs/dbraw/zinc/23/10/36/496231036.db2.gz GFXUQSBBVVMPQK-SOAGJPPSSA-N 2 1 364.578 3.155 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000153261582 496401176 /nfs/dbraw/zinc/40/11/76/496401176.db2.gz VYIBPCNOFZMXCP-DLBZAZTESA-N 2 1 363.550 3.158 10 0 FGAEMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccco1 ZINC000176012896 496643287 /nfs/dbraw/zinc/64/32/87/496643287.db2.gz PPIZYUYPJMNJKH-MSOLQXFVSA-N 2 1 373.501 3.042 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000247107760 496781716 /nfs/dbraw/zinc/78/17/16/496781716.db2.gz QUWYUHJVBQSDCD-WIYYLYMNSA-N 2 1 368.525 3.482 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000247107760 496781718 /nfs/dbraw/zinc/78/17/18/496781718.db2.gz QUWYUHJVBQSDCD-WIYYLYMNSA-N 2 1 368.525 3.482 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000247115418 496784463 /nfs/dbraw/zinc/78/44/63/496784463.db2.gz RKPIMNDZFLBWPQ-KHYOSLBOSA-N 2 1 358.461 3.061 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000247115418 496784468 /nfs/dbraw/zinc/78/44/68/496784468.db2.gz RKPIMNDZFLBWPQ-KHYOSLBOSA-N 2 1 358.461 3.061 10 0 FGAEMP Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000249349585 497193741 /nfs/dbraw/zinc/19/37/41/497193741.db2.gz VYDACRDMHZWNNK-LNLFQRSKSA-N 2 1 355.482 3.018 10 0 FGAEMP Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000249349585 497193745 /nfs/dbraw/zinc/19/37/45/497193745.db2.gz VYDACRDMHZWNNK-LNLFQRSKSA-N 2 1 355.482 3.018 10 0 FGAEMP [NH3+][C@H]1CC[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000237926067 497314796 /nfs/dbraw/zinc/31/47/96/497314796.db2.gz MDSFGDQGCLBUQT-SFTDATJTSA-N 2 1 363.505 3.048 10 0 FGAEMP Cc1cc(C)c(C[NH+]2CCC3(CC[C@H](C[NH+]4CCOCC4)O3)CC2)c(C)c1 ZINC000257191824 497388576 /nfs/dbraw/zinc/38/85/76/497388576.db2.gz RLDPJKAOIBRKOX-OAQYLSRUSA-N 2 1 372.553 3.458 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000261783335 497450991 /nfs/dbraw/zinc/45/09/91/497450991.db2.gz PPLNLMWZTLRGPN-UXPWSPDFSA-N 2 1 369.896 3.120 10 0 FGAEMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000261783335 497450995 /nfs/dbraw/zinc/45/09/95/497450995.db2.gz PPLNLMWZTLRGPN-UXPWSPDFSA-N 2 1 369.896 3.120 10 0 FGAEMP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000261991409 497489045 /nfs/dbraw/zinc/48/90/45/497489045.db2.gz STUOCYMZBPBUPP-KURKYZTESA-N 2 1 368.443 3.484 10 0 FGAEMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000245683790 497500664 /nfs/dbraw/zinc/50/06/64/497500664.db2.gz GTAKJBQWPREXRZ-LEWJYISDSA-N 2 1 372.557 3.024 10 0 FGAEMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000245683790 497500669 /nfs/dbraw/zinc/50/06/69/497500669.db2.gz GTAKJBQWPREXRZ-LEWJYISDSA-N 2 1 372.557 3.024 10 0 FGAEMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000245683790 497500672 /nfs/dbraw/zinc/50/06/72/497500672.db2.gz GTAKJBQWPREXRZ-LEWJYISDSA-N 2 1 372.557 3.024 10 0 FGAEMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246849633 497816270 /nfs/dbraw/zinc/81/62/70/497816270.db2.gz FGMFGGMTSHRDCG-XLIONFOSSA-N 2 1 360.546 3.056 10 0 FGAEMP CCc1nccn1[C@H]1CCC[N@@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000246935649 497821089 /nfs/dbraw/zinc/82/10/89/497821089.db2.gz AVOIWNRQGMLXMB-APWZRJJASA-N 2 1 372.488 3.441 10 0 FGAEMP CC[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247217318 713637159 /nfs/dbraw/zinc/63/71/59/713637159.db2.gz WESNIGJJSIHZDH-VGUREELVSA-N 2 1 351.535 3.237 10 0 FGAEMP COc1ccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(OC)c1OC ZINC000092813115 494759619 /nfs/dbraw/zinc/75/96/19/494759619.db2.gz VQTRFTHIHQSQNE-INIZCTEOSA-N 2 1 371.481 3.350 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000109678440 494906338 /nfs/dbraw/zinc/90/63/38/494906338.db2.gz XSNQVVUHAXCORT-PMACEKPBSA-N 2 1 366.509 3.274 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000109678440 494906340 /nfs/dbraw/zinc/90/63/40/494906340.db2.gz XSNQVVUHAXCORT-PMACEKPBSA-N 2 1 366.509 3.274 10 0 FGAEMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000112918472 495257355 /nfs/dbraw/zinc/25/73/55/495257355.db2.gz OYCOYLDKCAJUHU-OAQYLSRUSA-N 2 1 359.558 3.130 10 0 FGAEMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccsc1 ZINC000105124007 495338920 /nfs/dbraw/zinc/33/89/20/495338920.db2.gz DRTUZHLQESYMTC-QZTJIDSGSA-N 2 1 364.559 3.011 10 0 FGAEMP C[N@@H+](CCc1ccncc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128246 495418755 /nfs/dbraw/zinc/41/87/55/495418755.db2.gz BMTOOKVCZAHMPY-JOCHJYFZSA-N 2 1 353.510 3.002 10 0 FGAEMP CCC[C@H](C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)c1ccccc1 ZINC000180090161 495854877 /nfs/dbraw/zinc/85/48/77/495854877.db2.gz LKRJUCXZDPVJNY-DHIUTWEWSA-N 2 1 373.585 3.297 10 0 FGAEMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000174410669 495946592 /nfs/dbraw/zinc/94/65/92/495946592.db2.gz GFAPRLMTXSKSEE-NRSPTQNISA-N 2 1 372.557 3.165 10 0 FGAEMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000174410669 495946599 /nfs/dbraw/zinc/94/65/99/495946599.db2.gz GFAPRLMTXSKSEE-NRSPTQNISA-N 2 1 372.557 3.165 10 0 FGAEMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000174410669 495946604 /nfs/dbraw/zinc/94/66/04/495946604.db2.gz GFAPRLMTXSKSEE-NRSPTQNISA-N 2 1 372.557 3.165 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccc(C(=O)N(C)C)c3)C2)[nH+]1 ZINC000171648721 495968705 /nfs/dbraw/zinc/96/87/05/495968705.db2.gz CTJPXIGVMMFAEU-SFHVURJKSA-N 2 1 352.482 3.026 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccc(C(=O)N(C)C)c3)C2)[nH+]1 ZINC000171648721 495968706 /nfs/dbraw/zinc/96/87/06/495968706.db2.gz CTJPXIGVMMFAEU-SFHVURJKSA-N 2 1 352.482 3.026 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NCc3ccccc3C)C2)[nH+]1 ZINC000171650153 495969211 /nfs/dbraw/zinc/96/92/11/495969211.db2.gz ODZCOVNWMZDVQL-RBUKOAKNSA-N 2 1 366.509 3.137 10 0 FGAEMP Cc1cnc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)s1 ZINC000180477931 496012723 /nfs/dbraw/zinc/01/27/23/496012723.db2.gz BNYFJKDGFFHROP-IBGZPJMESA-N 2 1 359.539 3.329 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175191584 496285431 /nfs/dbraw/zinc/28/54/31/496285431.db2.gz NNQHGCDDKIZOHO-HNNXBMFYSA-N 2 1 361.461 3.005 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000178334957 496417554 /nfs/dbraw/zinc/41/75/54/496417554.db2.gz IZZAQURTWHPSGE-KBXCAEBGSA-N 2 1 360.889 3.014 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000178334957 496417556 /nfs/dbraw/zinc/41/75/56/496417556.db2.gz IZZAQURTWHPSGE-KBXCAEBGSA-N 2 1 360.889 3.014 10 0 FGAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246997779 496746866 /nfs/dbraw/zinc/74/68/66/496746866.db2.gz GTPVEQMWPXXEGO-UKAVVXHISA-N 2 1 372.557 3.067 10 0 FGAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000247109511 496781909 /nfs/dbraw/zinc/78/19/09/496781909.db2.gz DUHIZKMYOWPACI-NHCUHLMSSA-N 2 1 372.557 3.024 10 0 FGAEMP Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000193285499 497341394 /nfs/dbraw/zinc/34/13/94/497341394.db2.gz JVUUCMVRXQMZOG-ZWKOTPCHSA-N 2 1 369.509 3.408 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000245461973 497419268 /nfs/dbraw/zinc/41/92/68/497419268.db2.gz GDPYLPFAOFPAJO-IEBWSBKVSA-N 2 1 360.546 3.242 10 0 FGAEMP C[C@@H](C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000261954070 497482559 /nfs/dbraw/zinc/48/25/59/497482559.db2.gz OJYNMXKCWGRUHF-QFBILLFUSA-N 2 1 356.489 3.307 10 0 FGAEMP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cn2)c1 ZINC000262014727 497492500 /nfs/dbraw/zinc/49/25/00/497492500.db2.gz VYGJADQBBUTIAR-VAMGGRTRSA-N 2 1 371.456 3.260 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000245981335 497588739 /nfs/dbraw/zinc/58/87/39/497588739.db2.gz YLCHYHLWYGFSPQ-UWVAXJGDSA-N 2 1 366.509 3.412 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000245981335 497588742 /nfs/dbraw/zinc/58/87/42/497588742.db2.gz YLCHYHLWYGFSPQ-UWVAXJGDSA-N 2 1 366.509 3.412 10 0 FGAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246089231 497618599 /nfs/dbraw/zinc/61/85/99/497618599.db2.gz MPKFFVMVMQYFGF-OXQOHEQNSA-N 2 1 369.513 3.367 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246089231 497618606 /nfs/dbraw/zinc/61/86/06/497618606.db2.gz MPKFFVMVMQYFGF-OXQOHEQNSA-N 2 1 369.513 3.367 10 0 FGAEMP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246098907 497620901 /nfs/dbraw/zinc/62/09/01/497620901.db2.gz PEAFLNBXQBVALL-CRAIPNDOSA-N 2 1 355.486 3.025 10 0 FGAEMP CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246098907 497620903 /nfs/dbraw/zinc/62/09/03/497620903.db2.gz PEAFLNBXQBVALL-CRAIPNDOSA-N 2 1 355.486 3.025 10 0 FGAEMP COC(=O)C1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000311494673 498751916 /nfs/dbraw/zinc/75/19/16/498751916.db2.gz CWNLFYMMUFKLEA-SSXNTNPLSA-N 2 1 356.510 3.218 10 0 FGAEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000048745041 257344084 /nfs/dbraw/zinc/34/40/84/257344084.db2.gz OLMVYWBMRCQDCW-SFHVURJKSA-N 2 1 361.493 3.366 10 0 FGAEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1Br ZINC000121120041 494605773 /nfs/dbraw/zinc/60/57/73/494605773.db2.gz ZQTKAUGFYBWUMA-HNNXBMFYSA-N 2 1 369.347 3.282 10 0 FGAEMP CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000127320172 494927265 /nfs/dbraw/zinc/92/72/65/494927265.db2.gz QYUCEVHNBUPGQQ-LJQANCHMSA-N 2 1 374.529 3.157 10 0 FGAEMP O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000114562872 495391615 /nfs/dbraw/zinc/39/16/15/495391615.db2.gz JKXDTFUHOJBWPH-FCHUYYIVSA-N 2 1 360.542 3.152 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000176359019 495618974 /nfs/dbraw/zinc/61/89/74/495618974.db2.gz GDPYLPFAOFPAJO-PKOBYXMFSA-N 2 1 360.546 3.242 10 0 FGAEMP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000154573107 495658045 /nfs/dbraw/zinc/65/80/45/495658045.db2.gz RHBSJRDXZBMIOR-MAUKXSAKSA-N 2 1 356.470 3.082 10 0 FGAEMP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000154573107 495658061 /nfs/dbraw/zinc/65/80/61/495658061.db2.gz RHBSJRDXZBMIOR-MAUKXSAKSA-N 2 1 356.470 3.082 10 0 FGAEMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000151341338 495809484 /nfs/dbraw/zinc/80/94/84/495809484.db2.gz IXUGKUGEDNZTGF-DLBZAZTESA-N 2 1 355.320 3.337 10 0 FGAEMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCOCC2 ZINC000186195632 495892948 /nfs/dbraw/zinc/89/29/48/495892948.db2.gz SSFLMFHEGNWMJD-RTWAWAEBSA-N 2 1 358.526 3.215 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000151885070 495981616 /nfs/dbraw/zinc/98/16/16/495981616.db2.gz FFOLXWYZCOPIKG-MOPGFXCFSA-N 2 1 369.513 3.095 10 0 FGAEMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000177329346 496020738 /nfs/dbraw/zinc/02/07/38/496020738.db2.gz YXUBXEQMBFKBBW-HXUWFJFHSA-N 2 1 360.546 3.154 10 0 FGAEMP COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000152146913 496061683 /nfs/dbraw/zinc/06/16/83/496061683.db2.gz PCCZECKNMGXOQS-YOEHRIQHSA-N 2 1 367.453 3.476 10 0 FGAEMP COc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000152146913 496061694 /nfs/dbraw/zinc/06/16/94/496061694.db2.gz PCCZECKNMGXOQS-YOEHRIQHSA-N 2 1 367.453 3.476 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000153261245 496401673 /nfs/dbraw/zinc/40/16/73/496401673.db2.gz VYIBPCNOFZMXCP-SJORKVTESA-N 2 1 363.550 3.158 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000178311231 496407780 /nfs/dbraw/zinc/40/77/80/496407780.db2.gz FXAPPZYVNDORQM-TZIWHRDSSA-N 2 1 366.509 3.240 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000178311231 496407788 /nfs/dbraw/zinc/40/77/88/496407788.db2.gz FXAPPZYVNDORQM-TZIWHRDSSA-N 2 1 366.509 3.240 10 0 FGAEMP Cc1nccn1C[C@H]1CCCN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000175783341 496543249 /nfs/dbraw/zinc/54/32/49/496543249.db2.gz DABZTJFTRXYDBS-LJQANCHMSA-N 2 1 361.534 3.020 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000175783341 496543257 /nfs/dbraw/zinc/54/32/57/496543257.db2.gz DABZTJFTRXYDBS-LJQANCHMSA-N 2 1 361.534 3.020 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000175783341 496543266 /nfs/dbraw/zinc/54/32/66/496543266.db2.gz DABZTJFTRXYDBS-LJQANCHMSA-N 2 1 361.534 3.020 10 0 FGAEMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247536626 496882863 /nfs/dbraw/zinc/88/28/63/496882863.db2.gz QCXQKEQVPVLKSQ-DBXWQHBBSA-N 2 1 370.541 3.090 10 0 FGAEMP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261960105 497483651 /nfs/dbraw/zinc/48/36/51/497483651.db2.gz PLSWIEAHJUYWCZ-DNVJHFABSA-N 3 1 371.569 3.309 10 0 FGAEMP Clc1ccc2sc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)nc2c1 ZINC000261974337 497486142 /nfs/dbraw/zinc/48/61/42/497486142.db2.gz QWOBQMYDMIGSFK-IIAWOOMASA-N 2 1 365.930 3.239 10 0 FGAEMP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)C1 ZINC000246574872 497779102 /nfs/dbraw/zinc/77/91/02/497779102.db2.gz VGTOCWGRHUNTHO-QRQLOZEOSA-N 2 1 369.534 3.091 10 0 FGAEMP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)C1 ZINC000246574872 497779106 /nfs/dbraw/zinc/77/91/06/497779106.db2.gz VGTOCWGRHUNTHO-QRQLOZEOSA-N 2 1 369.534 3.091 10 0 FGAEMP O[C@@H](CNc1cc[nH+]c2cc(F)ccc12)C[N@H+]1CCc2ccccc2C1 ZINC000301526827 498148980 /nfs/dbraw/zinc/14/89/80/498148980.db2.gz NRVGFKHNGPFTSD-SFHVURJKSA-N 2 1 351.425 3.205 10 0 FGAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)[C@H]3C2)cc1 ZINC000312598050 498760876 /nfs/dbraw/zinc/76/08/76/498760876.db2.gz XVAIZOZGMPXYDC-LRSLUSHPSA-N 2 1 370.537 3.215 10 0 FGAEMP c1[nH]nc2c1cccc2C[N@@H+]1CCC[C@@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000583623790 506882605 /nfs/dbraw/zinc/88/26/05/506882605.db2.gz KVLHPSSLOZKXTF-GOSISDBHSA-N 2 1 364.497 3.261 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(CSC(F)F)o2)CC1 ZINC000121141069 700666860 /nfs/dbraw/zinc/66/68/60/700666860.db2.gz NZSGIIMBUQLMHP-CYBMUJFWSA-N 2 1 362.486 3.260 10 0 FGAEMP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000103473903 495239182 /nfs/dbraw/zinc/23/91/82/495239182.db2.gz MICSQJKYLRLEST-KRWDZBQOSA-N 2 1 368.481 3.161 10 0 FGAEMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000103473903 495239184 /nfs/dbraw/zinc/23/91/84/495239184.db2.gz MICSQJKYLRLEST-KRWDZBQOSA-N 2 1 368.481 3.161 10 0 FGAEMP C[C@H]1CCC[N@H+]1C1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000154930705 495775561 /nfs/dbraw/zinc/77/55/61/495775561.db2.gz JUVXSSIDBKZVFA-INIZCTEOSA-N 2 1 362.481 3.269 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000155051276 495817807 /nfs/dbraw/zinc/81/78/07/495817807.db2.gz VGGNJMLXQLMXCG-IAGOWNOFSA-N 2 1 367.415 3.278 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000155051276 495817809 /nfs/dbraw/zinc/81/78/09/495817809.db2.gz VGGNJMLXQLMXCG-IAGOWNOFSA-N 2 1 367.415 3.278 10 0 FGAEMP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652169 495970803 /nfs/dbraw/zinc/97/08/03/495970803.db2.gz PAHHINHZINFGLN-SFHVURJKSA-N 2 1 353.466 3.405 10 0 FGAEMP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652169 495970806 /nfs/dbraw/zinc/97/08/06/495970806.db2.gz PAHHINHZINFGLN-SFHVURJKSA-N 2 1 353.466 3.405 10 0 FGAEMP CCOC(=O)[C@@H](c1ccccc1)N1CC[C@H](CNc2cccc(C)n2)C1 ZINC000171922982 496093740 /nfs/dbraw/zinc/09/37/40/496093740.db2.gz RNPRESLWCLRFIS-YLJYHZDGSA-N 2 1 353.466 3.428 10 0 FGAEMP CC(C)n1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000172014300 496130258 /nfs/dbraw/zinc/13/02/58/496130258.db2.gz IFZPMNHMEBWLCI-QFIPXVFZSA-N 2 1 370.541 3.341 10 0 FGAEMP COC(=O)c1ccccc1CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000187066286 496277332 /nfs/dbraw/zinc/27/73/32/496277332.db2.gz CREWUVPZRMEQPQ-QGZVFWFLSA-N 2 1 353.466 3.153 10 0 FGAEMP COC(=O)c1ccccc1CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000187066286 496277337 /nfs/dbraw/zinc/27/73/37/496277337.db2.gz CREWUVPZRMEQPQ-QGZVFWFLSA-N 2 1 353.466 3.153 10 0 FGAEMP Cn1cc([C@H]2CCC[NH+]2CCCCC[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cn1 ZINC000157886643 496576765 /nfs/dbraw/zinc/57/67/65/496576765.db2.gz DNDISMONCAOLDF-NHCUHLMSSA-N 2 1 370.545 3.298 10 0 FGAEMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000247202894 496804462 /nfs/dbraw/zinc/80/44/62/496804462.db2.gz XHSRQDUSLRXVEZ-FIKGOQFSSA-N 2 1 368.525 3.484 10 0 FGAEMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000247202894 496804470 /nfs/dbraw/zinc/80/44/70/496804470.db2.gz XHSRQDUSLRXVEZ-FIKGOQFSSA-N 2 1 368.525 3.484 10 0 FGAEMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCOCc2ccccc2)C1 ZINC000195269431 496869225 /nfs/dbraw/zinc/86/92/25/496869225.db2.gz WWJROKJMERIAOW-JOCHJYFZSA-N 2 1 353.510 3.442 10 0 FGAEMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCOCc2ccccc2)C1 ZINC000195269431 496869229 /nfs/dbraw/zinc/86/92/29/496869229.db2.gz WWJROKJMERIAOW-JOCHJYFZSA-N 2 1 353.510 3.442 10 0 FGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCOCc2ccccc2)C1 ZINC000195269431 496869233 /nfs/dbraw/zinc/86/92/33/496869233.db2.gz WWJROKJMERIAOW-JOCHJYFZSA-N 2 1 353.510 3.442 10 0 FGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000195269431 496869236 /nfs/dbraw/zinc/86/92/36/496869236.db2.gz WWJROKJMERIAOW-JOCHJYFZSA-N 2 1 353.510 3.442 10 0 FGAEMP C[N@@H+](C[C@@H](O)c1ccccc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247804659 496916245 /nfs/dbraw/zinc/91/62/45/496916245.db2.gz SGDYDZMFJGKGGM-DHIUTWEWSA-N 2 1 368.521 3.097 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248128180 496958976 /nfs/dbraw/zinc/95/89/76/496958976.db2.gz ODKOJOYNYFMOBP-PWRODBHTSA-N 2 1 360.542 3.149 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248128180 496958980 /nfs/dbraw/zinc/95/89/80/496958980.db2.gz ODKOJOYNYFMOBP-PWRODBHTSA-N 2 1 360.542 3.149 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248128180 496958982 /nfs/dbraw/zinc/95/89/82/496958982.db2.gz ODKOJOYNYFMOBP-PWRODBHTSA-N 2 1 360.542 3.149 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248128180 496958985 /nfs/dbraw/zinc/95/89/85/496958985.db2.gz ODKOJOYNYFMOBP-PWRODBHTSA-N 2 1 360.542 3.149 10 0 FGAEMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000249119541 497169437 /nfs/dbraw/zinc/16/94/37/497169437.db2.gz TXKGGQUYWVMWPS-QHAWAJNXSA-N 2 1 358.526 3.072 10 0 FGAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000245435670 497405296 /nfs/dbraw/zinc/40/52/96/497405296.db2.gz TWFNTHRVKCLDAJ-FXAWDEMLSA-N 2 1 374.529 3.028 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000245435670 497405299 /nfs/dbraw/zinc/40/52/99/497405299.db2.gz TWFNTHRVKCLDAJ-FXAWDEMLSA-N 2 1 374.529 3.028 10 0 FGAEMP Cc1sc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)nc1-c1ccccc1 ZINC000261892836 497469684 /nfs/dbraw/zinc/46/96/84/497469684.db2.gz GRZLWZVYUMZOKJ-QRVBRYPASA-N 2 1 371.550 3.408 10 0 FGAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000261927068 497477375 /nfs/dbraw/zinc/47/73/75/497477375.db2.gz VVFDVNNDGAZNBT-SEZOEQDJSA-N 2 1 373.516 3.202 10 0 FGAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000261927068 497477380 /nfs/dbraw/zinc/47/73/80/497477380.db2.gz VVFDVNNDGAZNBT-SEZOEQDJSA-N 2 1 373.516 3.202 10 0 FGAEMP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261968908 497485284 /nfs/dbraw/zinc/48/52/84/497485284.db2.gz QJNMIOVTLVICBB-DNVJHFABSA-N 3 1 371.569 3.309 10 0 FGAEMP Clc1ccc2sc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)nc2c1 ZINC000261974339 497486712 /nfs/dbraw/zinc/48/67/12/497486712.db2.gz QWOBQMYDMIGSFK-SQWLQELKSA-N 2 1 365.930 3.239 10 0 FGAEMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262005715 497491622 /nfs/dbraw/zinc/49/16/22/497491622.db2.gz VBBAXBMFFGBFQL-LMYCIYFBSA-N 2 1 358.526 3.209 10 0 FGAEMP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)C1 ZINC000246574881 497779543 /nfs/dbraw/zinc/77/95/43/497779543.db2.gz VGTOCWGRHUNTHO-QXAKKESOSA-N 2 1 369.534 3.091 10 0 FGAEMP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)C1 ZINC000246574881 497779546 /nfs/dbraw/zinc/77/95/46/497779546.db2.gz VGTOCWGRHUNTHO-QXAKKESOSA-N 2 1 369.534 3.091 10 0 FGAEMP COC(=O)C1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000311494678 498751338 /nfs/dbraw/zinc/75/13/38/498751338.db2.gz CWNLFYMMUFKLEA-YWHRJQNKSA-N 2 1 356.510 3.218 10 0 FGAEMP COC(=O)C1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000311494676 498753206 /nfs/dbraw/zinc/75/32/06/498753206.db2.gz CWNLFYMMUFKLEA-YCHQTSKFSA-N 2 1 356.510 3.218 10 0 FGAEMP COC(=O)c1cccnc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000585717354 507603075 /nfs/dbraw/zinc/60/30/75/507603075.db2.gz HPUNGDOORYRAEE-UHFFFAOYSA-N 2 1 367.493 3.212 10 0 FGAEMP COC(=O)c1cccnc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000585717354 507603079 /nfs/dbraw/zinc/60/30/79/507603079.db2.gz HPUNGDOORYRAEE-UHFFFAOYSA-N 2 1 367.493 3.212 10 0 FGAEMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000125492595 700736493 /nfs/dbraw/zinc/73/64/93/700736493.db2.gz DYDZZLROFNNXGM-QGZVFWFLSA-N 2 1 350.507 3.351 10 0 FGAEMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000125492595 700736495 /nfs/dbraw/zinc/73/64/95/700736495.db2.gz DYDZZLROFNNXGM-QGZVFWFLSA-N 2 1 350.507 3.351 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cn(C)nc3-c3cccnc3)C2)[nH+]1 ZINC000092813144 494758991 /nfs/dbraw/zinc/75/89/91/494758991.db2.gz LAAPFLBBPMYLKO-QGZVFWFLSA-N 2 1 362.481 3.120 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cn(C)nc3-c3cccnc3)C2)[nH+]1 ZINC000092813144 494758994 /nfs/dbraw/zinc/75/89/94/494758994.db2.gz LAAPFLBBPMYLKO-QGZVFWFLSA-N 2 1 362.481 3.120 10 0 FGAEMP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nc(C2CC2)no1 ZINC000112550110 495204265 /nfs/dbraw/zinc/20/42/65/495204265.db2.gz HAEPDKGHABWRJP-KXBFYZLASA-N 2 1 370.497 3.043 10 0 FGAEMP Cc1cccc(C)c1OCCC[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000112697848 495224375 /nfs/dbraw/zinc/22/43/75/495224375.db2.gz LHNOIOXCNDHQQB-UHFFFAOYSA-N 2 1 370.541 3.365 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000106125347 495416774 /nfs/dbraw/zinc/41/67/74/495416774.db2.gz OLNUOWJIAYJWON-OAHLLOKOSA-N 2 1 361.461 3.005 10 0 FGAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)cc2)C1 ZINC000170829378 495618272 /nfs/dbraw/zinc/61/82/72/495618272.db2.gz RERBZBRQQVCZIU-UEXGIBASSA-N 2 1 372.557 3.010 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154556828 495654409 /nfs/dbraw/zinc/65/44/09/495654409.db2.gz HSDISJLHXGCNAC-ZWKOTPCHSA-N 2 1 367.415 3.278 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154556828 495654413 /nfs/dbraw/zinc/65/44/13/495654413.db2.gz HSDISJLHXGCNAC-ZWKOTPCHSA-N 2 1 367.415 3.278 10 0 FGAEMP Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C)c1 ZINC000171648662 495967730 /nfs/dbraw/zinc/96/77/30/495967730.db2.gz AHFICMSFWYXONW-UXHICEINSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C)c1 ZINC000171648662 495967736 /nfs/dbraw/zinc/96/77/36/495967736.db2.gz AHFICMSFWYXONW-UXHICEINSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1cccnc1C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000180478048 496012473 /nfs/dbraw/zinc/01/24/73/496012473.db2.gz YLUPOPPHUVUKLY-JOCHJYFZSA-N 2 1 353.510 3.267 10 0 FGAEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000177866107 496230344 /nfs/dbraw/zinc/23/03/44/496230344.db2.gz DUHIZKMYOWPACI-RTWAWAEBSA-N 2 1 372.557 3.024 10 0 FGAEMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000177866107 496230345 /nfs/dbraw/zinc/23/03/45/496230345.db2.gz DUHIZKMYOWPACI-RTWAWAEBSA-N 2 1 372.557 3.024 10 0 FGAEMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000177866107 496230346 /nfs/dbraw/zinc/23/03/46/496230346.db2.gz DUHIZKMYOWPACI-RTWAWAEBSA-N 2 1 372.557 3.024 10 0 FGAEMP CC(C)CCc1nc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cs1 ZINC000173335336 496648019 /nfs/dbraw/zinc/64/80/19/496648019.db2.gz HPPRTHIRKWZJTM-INIZCTEOSA-N 2 1 353.576 3.256 10 0 FGAEMP CC(C)CCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cs1 ZINC000173335336 496648024 /nfs/dbraw/zinc/64/80/24/496648024.db2.gz HPPRTHIRKWZJTM-INIZCTEOSA-N 2 1 353.576 3.256 10 0 FGAEMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247121363 496786173 /nfs/dbraw/zinc/78/61/73/496786173.db2.gz FTFWQCFJAUBSCS-MSOLQXFVSA-N 2 1 374.529 3.108 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000247160480 496795902 /nfs/dbraw/zinc/79/59/02/496795902.db2.gz UTFBFJKGHQBTGH-SFTDATJTSA-N 2 1 368.525 3.212 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000247160480 496795909 /nfs/dbraw/zinc/79/59/09/496795909.db2.gz UTFBFJKGHQBTGH-SFTDATJTSA-N 2 1 368.525 3.212 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)C2)[nH+]1 ZINC000247310523 496831310 /nfs/dbraw/zinc/83/13/10/496831310.db2.gz HCRLTNMBHIMQJL-MKXGPGLRSA-N 2 1 358.530 3.302 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000247733512 496910798 /nfs/dbraw/zinc/91/07/98/496910798.db2.gz MNNROAXVLLYDFW-AEFFLSMTSA-N 2 1 352.482 3.060 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000247733512 496910800 /nfs/dbraw/zinc/91/08/00/496910800.db2.gz MNNROAXVLLYDFW-AEFFLSMTSA-N 2 1 352.482 3.060 10 0 FGAEMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261852598 497462715 /nfs/dbraw/zinc/46/27/15/497462715.db2.gz VMFCNIUDFAJZDL-IKLNAOFOSA-N 2 1 365.521 3.235 10 0 FGAEMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261852598 497462721 /nfs/dbraw/zinc/46/27/21/497462721.db2.gz VMFCNIUDFAJZDL-IKLNAOFOSA-N 2 1 365.521 3.235 10 0 FGAEMP CC(=O)Nc1ccccc1CN1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190458476 497485500 /nfs/dbraw/zinc/48/55/00/497485500.db2.gz GRTXTMOJOPFYIH-QGZVFWFLSA-N 2 1 372.538 3.364 10 0 FGAEMP CC(=O)Nc1ccccc1CN1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190458476 497485507 /nfs/dbraw/zinc/48/55/07/497485507.db2.gz GRTXTMOJOPFYIH-QGZVFWFLSA-N 2 1 372.538 3.364 10 0 FGAEMP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000262013211 497492811 /nfs/dbraw/zinc/49/28/11/497492811.db2.gz VTGUJIKTXQODPC-DFQSSKMNSA-N 2 1 358.526 3.254 10 0 FGAEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000190470236 497492989 /nfs/dbraw/zinc/49/29/89/497492989.db2.gz XHSBEZINGXQBAK-KRWDZBQOSA-N 2 1 358.555 3.471 10 0 FGAEMP COc1ccc2ccccc2c1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121086035 494588900 /nfs/dbraw/zinc/58/89/00/494588900.db2.gz BAIHHVRPOIIJPW-KRWDZBQOSA-N 2 1 356.510 3.373 10 0 FGAEMP CN(c1ccccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000091979097 494740665 /nfs/dbraw/zinc/74/06/65/494740665.db2.gz CZXJVHHXOYYWBC-VXKWHMMOSA-N 2 1 357.542 3.360 10 0 FGAEMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000122660030 495011206 /nfs/dbraw/zinc/01/12/06/495011206.db2.gz PNFPGRXHLWZVQY-SFHVURJKSA-N 2 1 362.543 3.039 10 0 FGAEMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000122660030 495011210 /nfs/dbraw/zinc/01/12/10/495011210.db2.gz PNFPGRXHLWZVQY-SFHVURJKSA-N 2 1 362.543 3.039 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000101587047 495083204 /nfs/dbraw/zinc/08/32/04/495083204.db2.gz ZMOXKKPBRMHGKG-INIZCTEOSA-N 2 1 356.445 3.292 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)Nc3ccc(F)cc3)C2)[nH+]1 ZINC000101587047 495083206 /nfs/dbraw/zinc/08/32/06/495083206.db2.gz ZMOXKKPBRMHGKG-INIZCTEOSA-N 2 1 356.445 3.292 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(F)cc3)C2)[nH+]1 ZINC000101587047 495083210 /nfs/dbraw/zinc/08/32/10/495083210.db2.gz ZMOXKKPBRMHGKG-INIZCTEOSA-N 2 1 356.445 3.292 10 0 FGAEMP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)c1ccsc1 ZINC000113590868 495318700 /nfs/dbraw/zinc/31/87/00/495318700.db2.gz ITSLNBYPRZLZBT-CGTJXYLNSA-N 2 1 364.559 3.009 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2cccc3ccccc32)CC1 ZINC000106124203 495416808 /nfs/dbraw/zinc/41/68/08/495416808.db2.gz UVOUXCPZDIWTIM-GOSISDBHSA-N 2 1 356.510 3.243 10 0 FGAEMP C[N@@H+](CCc1ccccn1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128328 495418089 /nfs/dbraw/zinc/41/80/89/495418089.db2.gz LIZXGRFQVBCFKX-JOCHJYFZSA-N 2 1 353.510 3.002 10 0 FGAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176501358 495674646 /nfs/dbraw/zinc/67/46/46/495674646.db2.gz AAJFUOIQKRIMQR-UYAOXDASSA-N 2 1 362.562 3.052 10 0 FGAEMP C[C@@H]1CCC[N@H+]1C1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000154930597 495775541 /nfs/dbraw/zinc/77/55/41/495775541.db2.gz JUVXSSIDBKZVFA-MRXNPFEDSA-N 2 1 362.481 3.269 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000155230005 495883734 /nfs/dbraw/zinc/88/37/34/495883734.db2.gz ALSOASVHSYDUST-PXNSSMCTSA-N 2 1 366.509 3.056 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000155230005 495883736 /nfs/dbraw/zinc/88/37/36/495883736.db2.gz ALSOASVHSYDUST-PXNSSMCTSA-N 2 1 366.509 3.056 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000178288146 496399704 /nfs/dbraw/zinc/39/97/04/496399704.db2.gz VGXWLQMKFAFREU-ZWKOTPCHSA-N 2 1 358.873 3.115 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000178288146 496399706 /nfs/dbraw/zinc/39/97/06/496399706.db2.gz VGXWLQMKFAFREU-ZWKOTPCHSA-N 2 1 358.873 3.115 10 0 FGAEMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178301544 496403835 /nfs/dbraw/zinc/40/38/35/496403835.db2.gz HNVYKNFDIPZDHX-NRFANRHFSA-N 2 1 368.525 3.403 10 0 FGAEMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178301544 496403840 /nfs/dbraw/zinc/40/38/40/496403840.db2.gz HNVYKNFDIPZDHX-NRFANRHFSA-N 2 1 368.525 3.403 10 0 FGAEMP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000176039649 496655763 /nfs/dbraw/zinc/65/57/63/496655763.db2.gz PQFQLPKOEJFVSY-FQEVSTJZSA-N 2 1 369.513 3.017 10 0 FGAEMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000176039649 496655768 /nfs/dbraw/zinc/65/57/68/496655768.db2.gz PQFQLPKOEJFVSY-FQEVSTJZSA-N 2 1 369.513 3.017 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000247030992 496758415 /nfs/dbraw/zinc/75/84/15/496758415.db2.gz MIOSKSIMAPGFSD-CTNGQTDRSA-N 2 1 372.488 3.309 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000247030992 496758419 /nfs/dbraw/zinc/75/84/19/496758419.db2.gz MIOSKSIMAPGFSD-CTNGQTDRSA-N 2 1 372.488 3.309 10 0 FGAEMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000195254372 496862984 /nfs/dbraw/zinc/86/29/84/496862984.db2.gz ZBRXLQLPLARSPD-SFHVURJKSA-N 2 1 350.576 3.081 10 0 FGAEMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000195298918 496880560 /nfs/dbraw/zinc/88/05/60/496880560.db2.gz PEMBEHBZMJHCQP-GOSISDBHSA-N 2 1 370.472 3.003 10 0 FGAEMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000195298918 496880566 /nfs/dbraw/zinc/88/05/66/496880566.db2.gz PEMBEHBZMJHCQP-GOSISDBHSA-N 2 1 370.472 3.003 10 0 FGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000195298918 496880571 /nfs/dbraw/zinc/88/05/71/496880571.db2.gz PEMBEHBZMJHCQP-GOSISDBHSA-N 2 1 370.472 3.003 10 0 FGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000195298918 496880576 /nfs/dbraw/zinc/88/05/76/496880576.db2.gz PEMBEHBZMJHCQP-GOSISDBHSA-N 2 1 370.472 3.003 10 0 FGAEMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261616546 497420176 /nfs/dbraw/zinc/42/01/76/497420176.db2.gz CMYNFVQYWASWHG-OGWOLHLISA-N 2 1 357.885 3.341 10 0 FGAEMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261616546 497420179 /nfs/dbraw/zinc/42/01/79/497420179.db2.gz CMYNFVQYWASWHG-OGWOLHLISA-N 2 1 357.885 3.341 10 0 FGAEMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000261886637 497468653 /nfs/dbraw/zinc/46/86/53/497468653.db2.gz FZKVQKBWPRLIMS-DNVJHFABSA-N 3 1 371.569 3.165 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000262029430 497494877 /nfs/dbraw/zinc/49/48/77/497494877.db2.gz XARUOAHFYJZXQL-UTKZUKDTSA-N 2 1 350.441 3.186 10 0 FGAEMP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1OC1CCCC1 ZINC000262033226 497496268 /nfs/dbraw/zinc/49/62/68/497496268.db2.gz XRDPSQTWMDRMTO-VAMGGRTRSA-N 2 1 374.525 3.263 10 0 FGAEMP Brc1cccc(N[C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000262048875 497498557 /nfs/dbraw/zinc/49/85/57/497498557.db2.gz ZJZJBHIQYKLUHW-WMLDXEAASA-N 2 1 352.320 3.325 10 0 FGAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000262305126 497537697 /nfs/dbraw/zinc/53/76/97/497537697.db2.gz RFXINGDZPXNHBD-KJNZLNQQSA-N 2 1 357.542 3.298 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000245925357 497573750 /nfs/dbraw/zinc/57/37/50/497573750.db2.gz HSDISJLHXGCNAC-ROUUACIJSA-N 2 1 367.415 3.278 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000245925357 497573754 /nfs/dbraw/zinc/57/37/54/497573754.db2.gz HSDISJLHXGCNAC-ROUUACIJSA-N 2 1 367.415 3.278 10 0 FGAEMP Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c(C)c1 ZINC000246061044 497608367 /nfs/dbraw/zinc/60/83/67/497608367.db2.gz AHFICMSFWYXONW-PMACEKPBSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C)c1 ZINC000246061044 497608375 /nfs/dbraw/zinc/60/83/75/497608375.db2.gz AHFICMSFWYXONW-PMACEKPBSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000246135991 497633200 /nfs/dbraw/zinc/63/32/00/497633200.db2.gz NDVJOYQEOFBDOO-PMACEKPBSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000246135991 497633206 /nfs/dbraw/zinc/63/32/06/497633206.db2.gz NDVJOYQEOFBDOO-PMACEKPBSA-N 2 1 369.509 3.181 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246353260 497705328 /nfs/dbraw/zinc/70/53/28/497705328.db2.gz JZDJUKODEUQHMI-CEMLEFRQSA-N 2 1 371.569 3.272 10 0 FGAEMP O[C@@]12CCCC[C@H]1C[NH+](CCCC[N@H+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246940607 497821359 /nfs/dbraw/zinc/82/13/59/497821359.db2.gz NOOJQOFXODYPRF-ZDNVTZCJSA-N 2 1 364.574 3.021 10 0 FGAEMP O[C@@]12CCCC[C@H]1C[N@H+](CCCC[NH+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246940607 497821360 /nfs/dbraw/zinc/82/13/60/497821360.db2.gz NOOJQOFXODYPRF-ZDNVTZCJSA-N 2 1 364.574 3.021 10 0 FGAEMP O[C@@]12CCCC[C@H]1C[N@@H+](CCCC[NH+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246940607 497821361 /nfs/dbraw/zinc/82/13/61/497821361.db2.gz NOOJQOFXODYPRF-ZDNVTZCJSA-N 2 1 364.574 3.021 10 0 FGAEMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000311910185 498756168 /nfs/dbraw/zinc/75/61/68/498756168.db2.gz DZZBDFFJJWOPIC-BVOGOJNSSA-N 2 1 350.510 3.298 10 0 FGAEMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000311910189 498756910 /nfs/dbraw/zinc/75/69/10/498756910.db2.gz DZZBDFFJJWOPIC-ZIBCJSCZSA-N 2 1 350.510 3.298 10 0 FGAEMP CCC[C@@H](C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1)[NH+](C)C ZINC000122433905 494974948 /nfs/dbraw/zinc/97/49/48/494974948.db2.gz WEHZSXFZNXODNC-IBGZPJMESA-N 2 1 374.529 3.088 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2csc(-c3cccs3)n2)CC1 ZINC000106126766 495417301 /nfs/dbraw/zinc/41/73/01/495417301.db2.gz NCMZWCUOFQFECZ-CQSZACIVSA-N 2 1 365.568 3.396 10 0 FGAEMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000130777993 495444510 /nfs/dbraw/zinc/44/45/10/495444510.db2.gz DWLBGKXUDWSVKK-NRFANRHFSA-N 2 1 368.525 3.240 10 0 FGAEMP CC(C)n1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000179518726 495626280 /nfs/dbraw/zinc/62/62/80/495626280.db2.gz OJWIKINHOHJUHK-JOCHJYFZSA-N 2 1 370.541 3.341 10 0 FGAEMP Cc1ccc(-c2cc(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)on2)cc1 ZINC000170941746 495660669 /nfs/dbraw/zinc/66/06/69/495660669.db2.gz GIWHCIHCYGHKEC-KRWDZBQOSA-N 2 1 357.498 3.175 10 0 FGAEMP COC(=O)c1ccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1F ZINC000150914703 495679611 /nfs/dbraw/zinc/67/96/11/495679611.db2.gz FHMBPZQJVMIHSJ-MRXNPFEDSA-N 2 1 357.429 3.250 10 0 FGAEMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000151328687 495805782 /nfs/dbraw/zinc/80/57/82/495805782.db2.gz QVURCFQXTNSJOD-IRXDYDNUSA-N 2 1 355.320 3.337 10 0 FGAEMP COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000180126807 495869188 /nfs/dbraw/zinc/86/91/88/495869188.db2.gz OAOFXOHZVGRGRY-HNNXBMFYSA-N 2 1 351.397 3.466 10 0 FGAEMP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000180126807 495869195 /nfs/dbraw/zinc/86/91/95/495869195.db2.gz OAOFXOHZVGRGRY-HNNXBMFYSA-N 2 1 351.397 3.466 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000177437714 496061979 /nfs/dbraw/zinc/06/19/79/496061979.db2.gz UTXIQAQBYGYRTO-NRFANRHFSA-N 2 1 372.557 3.024 10 0 FGAEMP CSc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178315560 496409979 /nfs/dbraw/zinc/40/99/79/496409979.db2.gz OSZZABDTDJJQTG-SFHVURJKSA-N 2 1 372.538 3.036 10 0 FGAEMP CSc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178315560 496409981 /nfs/dbraw/zinc/40/99/81/496409981.db2.gz OSZZABDTDJJQTG-SFHVURJKSA-N 2 1 372.538 3.036 10 0 FGAEMP Cc1c(Br)cccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179210802 496713453 /nfs/dbraw/zinc/71/34/53/496713453.db2.gz BBXUSKIONKWPAQ-AWEZNQCLSA-N 2 1 369.347 3.282 10 0 FGAEMP C[NH+](Cc1cccnc1)C[C@H]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000195269398 496869563 /nfs/dbraw/zinc/86/95/63/496869563.db2.gz VIHWKJCPYMEOSS-OAQYLSRUSA-N 2 1 370.516 3.106 10 0 FGAEMP C[NH+](CCN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)Cc1ccc(F)cc1 ZINC000195269398 496869570 /nfs/dbraw/zinc/86/95/70/496869570.db2.gz VIHWKJCPYMEOSS-OAQYLSRUSA-N 2 1 370.516 3.106 10 0 FGAEMP C[NH+](CCN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)Cc1ccc(F)cc1 ZINC000195269398 496869575 /nfs/dbraw/zinc/86/95/75/496869575.db2.gz VIHWKJCPYMEOSS-OAQYLSRUSA-N 2 1 370.516 3.106 10 0 FGAEMP Cc1cnn(CCCCC[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195271138 496870021 /nfs/dbraw/zinc/87/00/21/496870021.db2.gz SBHAXHDJVHANDJ-NRFANRHFSA-N 2 1 355.530 3.211 10 0 FGAEMP Cc1cnn(CCCCC[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195271138 496870028 /nfs/dbraw/zinc/87/00/28/496870028.db2.gz SBHAXHDJVHANDJ-NRFANRHFSA-N 2 1 355.530 3.211 10 0 FGAEMP Cc1cnn(CCCCC[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195271138 496870033 /nfs/dbraw/zinc/87/00/33/496870033.db2.gz SBHAXHDJVHANDJ-NRFANRHFSA-N 2 1 355.530 3.211 10 0 FGAEMP Cc1cnn(CCCCC[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195271138 496870039 /nfs/dbraw/zinc/87/00/39/496870039.db2.gz SBHAXHDJVHANDJ-NRFANRHFSA-N 2 1 355.530 3.211 10 0 FGAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000237685417 497275650 /nfs/dbraw/zinc/27/56/50/497275650.db2.gz TZXOAXUHGOCJDM-BMQTXXJKSA-N 2 1 357.542 3.298 10 0 FGAEMP CC(C)CNC(=O)c1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261797096 497452670 /nfs/dbraw/zinc/45/26/70/497452670.db2.gz QPPMETBFVRWYFB-YADHBBJMSA-N 2 1 365.521 3.247 10 0 FGAEMP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261838748 497460537 /nfs/dbraw/zinc/46/05/37/497460537.db2.gz UHRGBTJLHVSJAT-HQRMLTQVSA-N 2 1 374.488 3.236 10 0 FGAEMP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261838748 497460541 /nfs/dbraw/zinc/46/05/41/497460541.db2.gz UHRGBTJLHVSJAT-HQRMLTQVSA-N 2 1 374.488 3.236 10 0 FGAEMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262118420 497510975 /nfs/dbraw/zinc/51/09/75/497510975.db2.gz JEBDVSDZDPUUCL-ULQDDVLXSA-N 2 1 355.885 3.247 10 0 FGAEMP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262118420 497510979 /nfs/dbraw/zinc/51/09/79/497510979.db2.gz JEBDVSDZDPUUCL-ULQDDVLXSA-N 2 1 355.885 3.247 10 0 FGAEMP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262653754 497591838 /nfs/dbraw/zinc/59/18/38/497591838.db2.gz BRDLSVINTRIRQV-UTKZUKDTSA-N 2 1 369.484 3.196 10 0 FGAEMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262653754 497591841 /nfs/dbraw/zinc/59/18/41/497591841.db2.gz BRDLSVINTRIRQV-UTKZUKDTSA-N 2 1 369.484 3.196 10 0 FGAEMP CCC[C@H](NC(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000246061140 497608851 /nfs/dbraw/zinc/60/88/51/497608851.db2.gz AINIZPIBSCJGNJ-ICSRJNTNSA-N 2 1 366.509 3.473 10 0 FGAEMP CCC[C@H](NC(=O)CN1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000246061140 497608854 /nfs/dbraw/zinc/60/88/54/497608854.db2.gz AINIZPIBSCJGNJ-ICSRJNTNSA-N 2 1 366.509 3.473 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)Cc3ccccc3)C2)[nH+]1 ZINC000246066604 497609592 /nfs/dbraw/zinc/60/95/92/497609592.db2.gz AXIHFRUFTOOSDH-QUCCMNQESA-N 2 1 366.509 3.171 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000246211772 497663071 /nfs/dbraw/zinc/66/30/71/497663071.db2.gz ALSOASVHSYDUST-XLIONFOSSA-N 2 1 366.509 3.056 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000246211772 497663075 /nfs/dbraw/zinc/66/30/75/497663075.db2.gz ALSOASVHSYDUST-XLIONFOSSA-N 2 1 366.509 3.056 10 0 FGAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)[C@@H]3C2)cc1 ZINC000312598049 498760106 /nfs/dbraw/zinc/76/01/06/498760106.db2.gz XVAIZOZGMPXYDC-KJJMTIBFSA-N 2 1 370.537 3.215 10 0 FGAEMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000373358288 499465258 /nfs/dbraw/zinc/46/52/58/499465258.db2.gz JBTLRTOGAGTLGQ-VQTPCSAVSA-N 2 1 351.535 3.237 10 0 FGAEMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000373358288 499465259 /nfs/dbraw/zinc/46/52/59/499465259.db2.gz JBTLRTOGAGTLGQ-VQTPCSAVSA-N 2 1 351.535 3.237 10 0 FGAEMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000082147957 527413828 /nfs/dbraw/zinc/41/38/28/527413828.db2.gz RTDMFQMEQMXYOC-OAQYLSRUSA-N 2 1 360.546 3.332 10 0 FGAEMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000082147957 527413833 /nfs/dbraw/zinc/41/38/33/527413833.db2.gz RTDMFQMEQMXYOC-OAQYLSRUSA-N 2 1 360.546 3.332 10 0 FGAEMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000261755411 713713820 /nfs/dbraw/zinc/71/38/20/713713820.db2.gz CLPITHCROSRJKR-MRXNPFEDSA-N 2 1 356.539 3.373 10 0 FGAEMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000700805516 722409887 /nfs/dbraw/zinc/40/98/87/722409887.db2.gz VMESJLVMJNNQJE-BZSNNMDCSA-N 2 1 353.551 3.344 10 0 FGAEMP CC[NH2+]CC(=O)Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccc(Cl)cc1 ZINC000028220199 210242439 /nfs/dbraw/zinc/24/24/39/210242439.db2.gz XRIHXUYKZGXHML-KRWDZBQOSA-N 2 1 357.885 3.465 10 0 FGAEMP COc1ccc(CC[N@H+](Cc2ccncc2)CC2CC[NH+](C)CC2)cc1 ZINC000015064615 211116389 /nfs/dbraw/zinc/11/63/89/211116389.db2.gz DMLLOWMRZWWJOQ-UHFFFAOYSA-N 2 1 353.510 3.477 10 0 FGAEMP COc1ccc(CN(CC[N@@H+](C)CCCCC[NH3+])c2ccccn2)cc1 ZINC000002528472 493811328 /nfs/dbraw/zinc/81/13/28/493811328.db2.gz DIJPLTNMTKLZPZ-UHFFFAOYSA-N 2 1 356.514 3.158 10 0 FGAEMP C[N@@H+](C[C@H](O)COCc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110044 493824929 /nfs/dbraw/zinc/82/49/29/493824929.db2.gz OMBAJEUUEHXDOP-GOTSBHOMSA-N 2 1 368.521 3.018 10 0 FGAEMP C[NH+](C[C@H](O)COCc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110044 493824931 /nfs/dbraw/zinc/82/49/31/493824931.db2.gz OMBAJEUUEHXDOP-GOTSBHOMSA-N 2 1 368.521 3.018 10 0 FGAEMP C[NH+](C[C@H](O)COCc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110044 493824932 /nfs/dbraw/zinc/82/49/32/493824932.db2.gz OMBAJEUUEHXDOP-GOTSBHOMSA-N 2 1 368.521 3.018 10 0 FGAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086364658 494150772 /nfs/dbraw/zinc/15/07/72/494150772.db2.gz AUIRJYFMVOXOJL-JKSUJKDBSA-N 2 1 357.502 3.271 10 0 FGAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000132514652 494886239 /nfs/dbraw/zinc/88/62/39/494886239.db2.gz IEURCDDHWUDIME-OAQYLSRUSA-N 2 1 372.557 3.071 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000119183219 495112561 /nfs/dbraw/zinc/11/25/61/495112561.db2.gz JEHVCQKTIFVZTH-OAHLLOKOSA-N 2 1 361.461 3.005 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(Br)s2)CC1 ZINC000106124558 495416905 /nfs/dbraw/zinc/41/69/05/495416905.db2.gz ANCJRUGXNLEJBT-LBPRGKRZSA-N 2 1 361.349 3.035 10 0 FGAEMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000173458383 495538764 /nfs/dbraw/zinc/53/87/64/495538764.db2.gz ZPNAOKPIZGJJKY-XYJFISCASA-N 2 1 355.486 3.057 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000176276113 495573814 /nfs/dbraw/zinc/57/38/14/495573814.db2.gz UVBUHSVIXBRROS-LJQANCHMSA-N 2 1 361.534 3.022 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000176359040 495618884 /nfs/dbraw/zinc/61/88/84/495618884.db2.gz GDPYLPFAOFPAJO-HKUYNNGSSA-N 2 1 360.546 3.242 10 0 FGAEMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000177375942 496037760 /nfs/dbraw/zinc/03/77/60/496037760.db2.gz SRYLUNHNCIRNPJ-FQEVSTJZSA-N 2 1 360.546 3.154 10 0 FGAEMP CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC000180617908 496070949 /nfs/dbraw/zinc/07/09/49/496070949.db2.gz LLMBNLJPKNYQDP-WMLDXEAASA-N 2 1 350.470 3.000 10 0 FGAEMP CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC000180617945 496071338 /nfs/dbraw/zinc/07/13/38/496071338.db2.gz LLMBNLJPKNYQDP-RHSMWYFYSA-N 2 1 350.470 3.000 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171900371 496083260 /nfs/dbraw/zinc/08/32/60/496083260.db2.gz SNUVKBBZLGBYCA-WIYYLYMNSA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900371 496083264 /nfs/dbraw/zinc/08/32/64/496083264.db2.gz SNUVKBBZLGBYCA-WIYYLYMNSA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171900371 496083267 /nfs/dbraw/zinc/08/32/67/496083267.db2.gz SNUVKBBZLGBYCA-WIYYLYMNSA-N 2 1 370.541 3.051 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000178310719 496407625 /nfs/dbraw/zinc/40/76/25/496407625.db2.gz QUWYUHJVBQSDCD-RXVVDRJESA-N 2 1 368.525 3.482 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000178310719 496407631 /nfs/dbraw/zinc/40/76/31/496407631.db2.gz QUWYUHJVBQSDCD-RXVVDRJESA-N 2 1 368.525 3.482 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000178312792 496409953 /nfs/dbraw/zinc/40/99/53/496409953.db2.gz MGHIPAAZXZOBGW-FXAWDEMLSA-N 2 1 354.498 3.150 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000178312792 496409954 /nfs/dbraw/zinc/40/99/54/496409954.db2.gz MGHIPAAZXZOBGW-FXAWDEMLSA-N 2 1 354.498 3.150 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000178321796 496411892 /nfs/dbraw/zinc/41/18/92/496411892.db2.gz SUUPKZWSBGWKOP-SFTDATJTSA-N 2 1 366.509 3.410 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000178321796 496411897 /nfs/dbraw/zinc/41/18/97/496411897.db2.gz SUUPKZWSBGWKOP-SFTDATJTSA-N 2 1 366.509 3.410 10 0 FGAEMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247067927 496769943 /nfs/dbraw/zinc/76/99/43/496769943.db2.gz OLGXCKHRWDEZOA-PKOBYXMFSA-N 2 1 356.470 3.082 10 0 FGAEMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247067927 496769945 /nfs/dbraw/zinc/76/99/45/496769945.db2.gz OLGXCKHRWDEZOA-PKOBYXMFSA-N 2 1 356.470 3.082 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000247170273 496798432 /nfs/dbraw/zinc/79/84/32/496798432.db2.gz VGXWLQMKFAFREU-ROUUACIJSA-N 2 1 358.873 3.115 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000247170273 496798437 /nfs/dbraw/zinc/79/84/37/496798437.db2.gz VGXWLQMKFAFREU-ROUUACIJSA-N 2 1 358.873 3.115 10 0 FGAEMP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000247879193 496924411 /nfs/dbraw/zinc/92/44/11/496924411.db2.gz ZDKUSFDXHCWFKC-DFEOGRTESA-N 2 1 360.546 3.004 10 0 FGAEMP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000237989529 497324325 /nfs/dbraw/zinc/32/43/25/497324325.db2.gz MDSFGDQGCLBUQT-LEWJYISDSA-N 2 1 363.505 3.048 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000245424918 497398199 /nfs/dbraw/zinc/39/81/99/497398199.db2.gz SMJOBKHOFCYUEM-WIYYLYMNSA-N 2 1 372.557 3.338 10 0 FGAEMP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261614639 497419570 /nfs/dbraw/zinc/41/95/70/497419570.db2.gz CHXCRHQXHSCAPU-CDXJDZJCSA-N 2 1 367.493 3.087 10 0 FGAEMP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261614639 497419575 /nfs/dbraw/zinc/41/95/75/497419575.db2.gz CHXCRHQXHSCAPU-CDXJDZJCSA-N 2 1 367.493 3.087 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1c1ccccc1 ZINC000261614615 497420201 /nfs/dbraw/zinc/42/02/01/497420201.db2.gz CHNICSJXTZKSAQ-UXPWSPDFSA-N 2 1 369.896 3.120 10 0 FGAEMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1c1ccccc1 ZINC000261614615 497420202 /nfs/dbraw/zinc/42/02/02/497420202.db2.gz CHNICSJXTZKSAQ-UXPWSPDFSA-N 2 1 369.896 3.120 10 0 FGAEMP Cc1ccccc1-c1noc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000245499908 497430409 /nfs/dbraw/zinc/43/04/09/497430409.db2.gz ZCCWEAIYZILPSW-IRXDYDNUSA-N 2 1 372.513 3.131 10 0 FGAEMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261859133 497464151 /nfs/dbraw/zinc/46/41/51/497464151.db2.gz BZSCSGIEYCIBTG-VAMGGRTRSA-N 2 1 371.456 3.260 10 0 FGAEMP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1)C1CCCC1 ZINC000261956983 497482999 /nfs/dbraw/zinc/48/29/99/497482999.db2.gz PCIYUMBUHXPTSY-PWRODBHTSA-N 2 1 371.525 3.062 10 0 FGAEMP COC(=O)C(C)(C)CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261976479 497486740 /nfs/dbraw/zinc/48/67/40/497486740.db2.gz QVRJXIRKKDJXEO-INIZCTEOSA-N 2 1 350.528 3.282 10 0 FGAEMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000245678847 497497996 /nfs/dbraw/zinc/49/79/96/497497996.db2.gz GFAPRLMTXSKSEE-HLAWJBBLSA-N 2 1 372.557 3.165 10 0 FGAEMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000245678847 497497999 /nfs/dbraw/zinc/49/79/99/497497999.db2.gz GFAPRLMTXSKSEE-HLAWJBBLSA-N 2 1 372.557 3.165 10 0 FGAEMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000245678847 497498003 /nfs/dbraw/zinc/49/80/03/497498003.db2.gz GFAPRLMTXSKSEE-HLAWJBBLSA-N 2 1 372.557 3.165 10 0 FGAEMP Clc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000262046114 497498529 /nfs/dbraw/zinc/49/85/29/497498529.db2.gz ZCTAGZKOUNDXLO-DKKFBQAASA-N 2 1 363.933 3.056 10 0 FGAEMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000246135997 497633149 /nfs/dbraw/zinc/63/31/49/497633149.db2.gz NDVJOYQEOFBDOO-VQTJNVASSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000246135997 497633154 /nfs/dbraw/zinc/63/31/54/497633154.db2.gz NDVJOYQEOFBDOO-VQTJNVASSA-N 2 1 369.509 3.181 10 0 FGAEMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784914 700504827 /nfs/dbraw/zinc/50/48/27/700504827.db2.gz BLKYQLOUDOBMOV-DLBZAZTESA-N 2 1 353.551 3.486 10 0 FGAEMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784914 700504828 /nfs/dbraw/zinc/50/48/28/700504828.db2.gz BLKYQLOUDOBMOV-DLBZAZTESA-N 2 1 353.551 3.486 10 0 FGAEMP COc1ccc2cc(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)ccc2c1 ZINC000121087762 494588641 /nfs/dbraw/zinc/58/86/41/494588641.db2.gz GPSQSMRNFORQHL-KRWDZBQOSA-N 2 1 356.510 3.373 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000119183089 495112523 /nfs/dbraw/zinc/11/25/23/495112523.db2.gz JEHVCQKTIFVZTH-HNNXBMFYSA-N 2 1 361.461 3.005 10 0 FGAEMP CCc1noc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000106127676 495416837 /nfs/dbraw/zinc/41/68/37/495416837.db2.gz CVKPVEXBTPPZIR-APWZRJJASA-N 2 1 372.513 3.070 10 0 FGAEMP CCc1noc([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000106127676 495416839 /nfs/dbraw/zinc/41/68/39/495416839.db2.gz CVKPVEXBTPPZIR-APWZRJJASA-N 2 1 372.513 3.070 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2ccccc2C(F)(F)F)CC1 ZINC000106124625 495417455 /nfs/dbraw/zinc/41/74/55/495417455.db2.gz ISSSAGGFPLNAEW-OAHLLOKOSA-N 2 1 374.447 3.109 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185510970 495605263 /nfs/dbraw/zinc/60/52/63/495605263.db2.gz IFHICICRPJPCMY-UQPPLGOBSA-N 2 1 350.469 3.380 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000178315403 496409371 /nfs/dbraw/zinc/40/93/71/496409371.db2.gz CYXOZUBTRMJPGP-HNAYVOBHSA-N 2 1 358.461 3.015 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000178315403 496409378 /nfs/dbraw/zinc/40/93/78/496409378.db2.gz CYXOZUBTRMJPGP-HNAYVOBHSA-N 2 1 358.461 3.015 10 0 FGAEMP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000176039628 496655064 /nfs/dbraw/zinc/65/50/64/496655064.db2.gz PQFQLPKOEJFVSY-HXUWFJFHSA-N 2 1 369.513 3.017 10 0 FGAEMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000176039628 496655066 /nfs/dbraw/zinc/65/50/66/496655066.db2.gz PQFQLPKOEJFVSY-HXUWFJFHSA-N 2 1 369.513 3.017 10 0 FGAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000246969113 496738263 /nfs/dbraw/zinc/73/82/63/496738263.db2.gz FZMAZEFMJODKDK-LVCYWYKZSA-N 2 1 372.557 3.240 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccccc2)C1 ZINC000247770981 496913832 /nfs/dbraw/zinc/91/38/32/496913832.db2.gz PDLFLSJAWYYAPV-IEBWSBKVSA-N 2 1 354.498 3.130 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)Cc2ccccc2)C1 ZINC000247770981 496913836 /nfs/dbraw/zinc/91/38/36/496913836.db2.gz PDLFLSJAWYYAPV-IEBWSBKVSA-N 2 1 354.498 3.130 10 0 FGAEMP CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000248918145 497135627 /nfs/dbraw/zinc/13/56/27/497135627.db2.gz DOKGXRZOAGOYNS-SESVDKBCSA-N 2 1 360.542 3.461 10 0 FGAEMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000252480537 497302062 /nfs/dbraw/zinc/30/20/62/497302062.db2.gz BDIYKDAMLXSIHD-RTBURBONSA-N 2 1 354.922 3.024 10 0 FGAEMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000252480537 497302065 /nfs/dbraw/zinc/30/20/65/497302065.db2.gz BDIYKDAMLXSIHD-RTBURBONSA-N 2 1 354.922 3.024 10 0 FGAEMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000252480537 497302068 /nfs/dbraw/zinc/30/20/68/497302068.db2.gz BDIYKDAMLXSIHD-RTBURBONSA-N 2 1 354.922 3.024 10 0 FGAEMP [NH3+][C@@H](CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000237889059 497308618 /nfs/dbraw/zinc/30/86/18/497308618.db2.gz NRRXITYCPXHXRA-SFTDATJTSA-N 2 1 351.494 3.247 10 0 FGAEMP Cc1nnc([C@H]2CC3(C[N@@H+]2CC(C)C)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257190644 497387667 /nfs/dbraw/zinc/38/76/67/497387667.db2.gz NENXNGOSRSKRBD-LJQANCHMSA-N 2 1 369.513 3.458 10 0 FGAEMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261731989 497442461 /nfs/dbraw/zinc/44/24/61/497442461.db2.gz LXILJNWWPSWNAA-OGWOLHLISA-N 2 1 357.885 3.341 10 0 FGAEMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261731989 497442466 /nfs/dbraw/zinc/44/24/66/497442466.db2.gz LXILJNWWPSWNAA-OGWOLHLISA-N 2 1 357.885 3.341 10 0 FGAEMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261875744 497466482 /nfs/dbraw/zinc/46/64/82/497466482.db2.gz DQBSUXQACMLYRO-ZNMIVQPWSA-N 2 1 360.832 3.188 10 0 FGAEMP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261970348 497485247 /nfs/dbraw/zinc/48/52/47/497485247.db2.gz QMSFYCBYYLUDST-KBAYOESNSA-N 2 1 367.331 3.313 10 0 FGAEMP c1sc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262047222 497499147 /nfs/dbraw/zinc/49/91/47/497499147.db2.gz ZFHAYNVKRJYEQW-QRVBRYPASA-N 2 1 357.523 3.099 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N3C[C@@H](C)C[C@H](C)C3)C2)[nH+]1 ZINC000246166248 497645114 /nfs/dbraw/zinc/64/51/14/497645114.db2.gz RSFWIVBUKLZJAK-DKKFBQAASA-N 2 1 358.530 3.017 10 0 FGAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000246198620 497657127 /nfs/dbraw/zinc/65/71/27/497657127.db2.gz MVPOWVPUEJVGHN-RTWAWAEBSA-N 2 1 370.541 3.051 10 0 FGAEMP COC[C@H](C)[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000301779315 498260326 /nfs/dbraw/zinc/26/03/26/498260326.db2.gz HYAOYPIRSGQXKQ-ZDUSSCGKSA-N 2 1 353.388 3.411 10 0 FGAEMP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cnn3ccccc13)CC2 ZINC000275891087 523606057 /nfs/dbraw/zinc/60/60/57/523606057.db2.gz ZNLFAPIDBLARFT-GOSISDBHSA-N 2 1 367.522 3.277 10 0 FGAEMP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cnn3ccccc13)CC2 ZINC000275891087 523606064 /nfs/dbraw/zinc/60/60/64/523606064.db2.gz ZNLFAPIDBLARFT-GOSISDBHSA-N 2 1 367.522 3.277 10 0 FGAEMP COc1ccccc1-c1ncc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cn1 ZINC000065395937 221211318 /nfs/dbraw/zinc/21/13/18/221211318.db2.gz ONBDQNLKIHAZEG-UHFFFAOYSA-N 2 1 352.482 3.070 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089732574 494350586 /nfs/dbraw/zinc/35/05/86/494350586.db2.gz FUCLMIQJELUTPK-VQIMIIECSA-N 2 1 362.481 3.290 10 0 FGAEMP Cc1cc(Br)ccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121151575 494618637 /nfs/dbraw/zinc/61/86/37/494618637.db2.gz NIJPOMMFJMUWMX-HNNXBMFYSA-N 2 1 369.347 3.282 10 0 FGAEMP O[C@@H]1C[C@H](c2cc(F)ccc2F)[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000121191797 494638557 /nfs/dbraw/zinc/63/85/57/494638557.db2.gz XXOWMXVAEHFHIO-YLJYHZDGSA-N 2 1 355.388 3.458 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCSCc2ccccc2)CC1 ZINC000131833536 494746517 /nfs/dbraw/zinc/74/65/17/494746517.db2.gz AKJDCKQREYONFQ-SFHVURJKSA-N 2 1 350.572 3.335 10 0 FGAEMP COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000132241319 494845168 /nfs/dbraw/zinc/84/51/68/494845168.db2.gz OJDRCAWSTGVLQY-QFBILLFUSA-N 2 1 372.513 3.165 10 0 FGAEMP COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000132241319 494845170 /nfs/dbraw/zinc/84/51/70/494845170.db2.gz OJDRCAWSTGVLQY-QFBILLFUSA-N 2 1 372.513 3.165 10 0 FGAEMP CC(C)c1noc([C@H](C)[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000112550105 495203991 /nfs/dbraw/zinc/20/39/91/495203991.db2.gz FUHCAHXRRJDJMJ-LPHOPBHVSA-N 2 1 372.513 3.289 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000106125344 495417707 /nfs/dbraw/zinc/41/77/07/495417707.db2.gz OLNUOWJIAYJWON-HNNXBMFYSA-N 2 1 361.461 3.005 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000179515315 495623820 /nfs/dbraw/zinc/62/38/20/495623820.db2.gz CZDPGFKBGPGMSN-KRWDZBQOSA-N 2 1 371.500 3.412 10 0 FGAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182766892 495695321 /nfs/dbraw/zinc/69/53/21/495695321.db2.gz BKMYWVHBNZEEBS-NLWGTHIKSA-N 2 1 364.578 3.059 10 0 FGAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182766892 495695325 /nfs/dbraw/zinc/69/53/25/495695325.db2.gz BKMYWVHBNZEEBS-NLWGTHIKSA-N 2 1 364.578 3.059 10 0 FGAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182766892 495695329 /nfs/dbraw/zinc/69/53/29/495695329.db2.gz BKMYWVHBNZEEBS-NLWGTHIKSA-N 2 1 364.578 3.059 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)N3CCc4ccccc43)C2)[nH+]1 ZINC000171652433 495971926 /nfs/dbraw/zinc/97/19/26/495971926.db2.gz TZZDBOXCZAPZPT-ZWKOTPCHSA-N 2 1 364.493 3.102 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000171652444 495972292 /nfs/dbraw/zinc/97/22/92/495972292.db2.gz MVCABWWGVQPSHZ-FHWLQOOXSA-N 2 1 366.509 3.390 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000152258571 496096900 /nfs/dbraw/zinc/09/69/00/496096900.db2.gz UZIKJOWTAHOGTK-IBGZPJMESA-N 2 1 369.513 3.054 10 0 FGAEMP Cc1ncsc1CC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000172535642 496331414 /nfs/dbraw/zinc/33/14/14/496331414.db2.gz ULQMJHSTZGUCQN-FQEVSTJZSA-N 2 1 373.566 3.371 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000178287594 496399608 /nfs/dbraw/zinc/39/96/08/496399608.db2.gz SGXYPSGUPQGCTJ-TZIWHRDSSA-N 2 1 354.498 3.169 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000178287594 496399612 /nfs/dbraw/zinc/39/96/12/496399612.db2.gz SGXYPSGUPQGCTJ-TZIWHRDSSA-N 2 1 354.498 3.169 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000178334266 496416861 /nfs/dbraw/zinc/41/68/61/496416861.db2.gz UZUVYLRHHGOERI-YOEHRIQHSA-N 2 1 360.889 3.014 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000178334266 496416864 /nfs/dbraw/zinc/41/68/64/496416864.db2.gz UZUVYLRHHGOERI-YOEHRIQHSA-N 2 1 360.889 3.014 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000176021207 496647035 /nfs/dbraw/zinc/64/70/35/496647035.db2.gz ULGRNFMPBLBENV-LJQANCHMSA-N 2 1 373.545 3.199 10 0 FGAEMP CCN(C(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)[C@@H](C)c1ccc(F)cc1 ZINC000247042257 496760636 /nfs/dbraw/zinc/76/06/36/496760636.db2.gz NAOKOVPTBMZIHR-JXFKEZNVSA-N 2 1 372.488 3.405 10 0 FGAEMP CCN(C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C)[C@@H](C)c1ccc(F)cc1 ZINC000247042257 496760639 /nfs/dbraw/zinc/76/06/39/496760639.db2.gz NAOKOVPTBMZIHR-JXFKEZNVSA-N 2 1 372.488 3.405 10 0 FGAEMP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)c1ccsc1 ZINC000247112308 496783263 /nfs/dbraw/zinc/78/32/63/496783263.db2.gz ITSLNBYPRZLZBT-BPQIPLTHSA-N 2 1 364.559 3.009 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000247140209 496791918 /nfs/dbraw/zinc/79/19/18/496791918.db2.gz SUUPKZWSBGWKOP-NHCUHLMSSA-N 2 1 366.509 3.410 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000247140209 496791920 /nfs/dbraw/zinc/79/19/20/496791920.db2.gz SUUPKZWSBGWKOP-NHCUHLMSSA-N 2 1 366.509 3.410 10 0 FGAEMP COc1ccc(OCCC[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195291165 496877345 /nfs/dbraw/zinc/87/73/45/496877345.db2.gz LDJYVYPGHPBBOV-FQEVSTJZSA-N 2 1 369.509 3.313 10 0 FGAEMP COc1ccc(OCCC[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195291165 496877346 /nfs/dbraw/zinc/87/73/46/496877346.db2.gz LDJYVYPGHPBBOV-FQEVSTJZSA-N 2 1 369.509 3.313 10 0 FGAEMP COc1ccc(OCCC[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000195291165 496877349 /nfs/dbraw/zinc/87/73/49/496877349.db2.gz LDJYVYPGHPBBOV-FQEVSTJZSA-N 2 1 369.509 3.313 10 0 FGAEMP COc1ccc(OCCC[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000195291165 496877350 /nfs/dbraw/zinc/87/73/50/496877350.db2.gz LDJYVYPGHPBBOV-FQEVSTJZSA-N 2 1 369.509 3.313 10 0 FGAEMP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000236931330 497169933 /nfs/dbraw/zinc/16/99/33/497169933.db2.gz RLMVAXJRTCJLJY-HXUWFJFHSA-N 2 1 351.494 3.048 10 0 FGAEMP CCc1csc([C@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000192729141 497198119 /nfs/dbraw/zinc/19/81/19/497198119.db2.gz PHGPZSAHNMCUMF-SFHVURJKSA-N 2 1 364.603 3.301 10 0 FGAEMP [NH3+]C[C@@H]1C[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1c1ccccc1 ZINC000261780793 497449177 /nfs/dbraw/zinc/44/91/77/497449177.db2.gz PKDGHJYTWIPIGG-UTKZUKDTSA-N 2 1 350.441 3.186 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1c1ccccc1 ZINC000261780793 497449180 /nfs/dbraw/zinc/44/91/80/497449180.db2.gz PKDGHJYTWIPIGG-UTKZUKDTSA-N 2 1 350.441 3.186 10 0 FGAEMP [NH3+]C[C@@H]1C[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C[C@H]1c1ccccc1 ZINC000261807987 497455877 /nfs/dbraw/zinc/45/58/77/497455877.db2.gz RJGWOMVOXJPMDI-AEFFLSMTSA-N 2 1 352.413 3.050 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C[C@H]1c1ccccc1 ZINC000261807987 497455882 /nfs/dbraw/zinc/45/58/82/497455882.db2.gz RJGWOMVOXJPMDI-AEFFLSMTSA-N 2 1 352.413 3.050 10 0 FGAEMP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1)C1CCCC1 ZINC000261956982 497482718 /nfs/dbraw/zinc/48/27/18/497482718.db2.gz PCIYUMBUHXPTSY-NJYVYQBISA-N 2 1 371.525 3.062 10 0 FGAEMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc(C[NH+]2CCCCCC2)c1 ZINC000262041204 497497991 /nfs/dbraw/zinc/49/79/91/497497991.db2.gz YPLHFVXRFVGHCG-ZLNRFVROSA-N 3 1 371.569 3.309 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N3C[C@H](C)C[C@@H](C)C3)C2)[nH+]1 ZINC000246166258 497644490 /nfs/dbraw/zinc/64/44/90/497644490.db2.gz RSFWIVBUKLZJAK-RWQQGDIJSA-N 2 1 358.530 3.017 10 0 FGAEMP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246300217 497688736 /nfs/dbraw/zinc/68/87/36/497688736.db2.gz DNJUXQCFPVZTJU-RBUKOAKNSA-N 2 1 369.509 3.379 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000246869564 497817860 /nfs/dbraw/zinc/81/78/60/497817860.db2.gz CYXOZUBTRMJPGP-DNVCBOLYSA-N 2 1 358.461 3.015 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000246869564 497817861 /nfs/dbraw/zinc/81/78/61/497817861.db2.gz CYXOZUBTRMJPGP-DNVCBOLYSA-N 2 1 358.461 3.015 10 0 FGAEMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000045185987 494404815 /nfs/dbraw/zinc/40/48/15/494404815.db2.gz WHCYSPDSDJIFPW-ICSRJNTNSA-N 2 1 360.546 3.101 10 0 FGAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000067408132 494533831 /nfs/dbraw/zinc/53/38/31/494533831.db2.gz WJUWSKYKOIUROV-OAQYLSRUSA-N 2 1 372.557 3.024 10 0 FGAEMP CC[NH+]1CCC[C@@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000067408132 494533835 /nfs/dbraw/zinc/53/38/35/494533835.db2.gz WJUWSKYKOIUROV-OAQYLSRUSA-N 2 1 372.557 3.024 10 0 FGAEMP CC[NH+]1CCC[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000067408132 494533840 /nfs/dbraw/zinc/53/38/40/494533840.db2.gz WJUWSKYKOIUROV-OAQYLSRUSA-N 2 1 372.557 3.024 10 0 FGAEMP C[N@H+](Cc1cccc(O)c1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000121178813 494632591 /nfs/dbraw/zinc/63/25/91/494632591.db2.gz NBHXMLNHLKIOPB-JOCHJYFZSA-N 2 1 354.494 3.270 10 0 FGAEMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000104989355 495322830 /nfs/dbraw/zinc/32/28/30/495322830.db2.gz UXWLEWZXLLMYAF-GOSISDBHSA-N 2 1 374.529 3.109 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000107304135 495525023 /nfs/dbraw/zinc/52/50/23/495525023.db2.gz CZQVWWUSBSLAEI-OAHLLOKOSA-N 2 1 374.447 3.109 10 0 FGAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000173568143 495591172 /nfs/dbraw/zinc/59/11/72/495591172.db2.gz PFICSAAQNBGDGR-LEWJYISDSA-N 2 1 370.541 3.051 10 0 FGAEMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000151328856 495806701 /nfs/dbraw/zinc/80/67/01/495806701.db2.gz QVURCFQXTNSJOD-IAGOWNOFSA-N 2 1 355.320 3.337 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NCC3CCCCC3)C2)[nH+]1 ZINC000171652439 495971820 /nfs/dbraw/zinc/97/18/20/495971820.db2.gz ILMXPEPTPZYVRA-PKOBYXMFSA-N 2 1 358.530 3.209 10 0 FGAEMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178307712 496406424 /nfs/dbraw/zinc/40/64/24/496406424.db2.gz OHIVSDJZZGZGJW-AEFFLSMTSA-N 2 1 372.538 3.253 10 0 FGAEMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178307712 496406426 /nfs/dbraw/zinc/40/64/26/496406426.db2.gz OHIVSDJZZGZGJW-AEFFLSMTSA-N 2 1 372.538 3.253 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000247151003 496792371 /nfs/dbraw/zinc/79/23/71/496792371.db2.gz UHNPSKFYSXGHGV-FCEWJHQRSA-N 2 1 352.482 3.022 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000247151003 496792374 /nfs/dbraw/zinc/79/23/74/496792374.db2.gz UHNPSKFYSXGHGV-FCEWJHQRSA-N 2 1 352.482 3.022 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000247151020 496792896 /nfs/dbraw/zinc/79/28/96/496792896.db2.gz UHNPSKFYSXGHGV-GJYPPUQNSA-N 2 1 352.482 3.022 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000247151020 496792903 /nfs/dbraw/zinc/79/29/03/496792903.db2.gz UHNPSKFYSXGHGV-GJYPPUQNSA-N 2 1 352.482 3.022 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000247216706 496807081 /nfs/dbraw/zinc/80/70/81/496807081.db2.gz YEGNHFONEQHIPF-XLIONFOSSA-N 2 1 354.498 3.011 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000247216706 496807088 /nfs/dbraw/zinc/80/70/88/496807088.db2.gz YEGNHFONEQHIPF-XLIONFOSSA-N 2 1 354.498 3.011 10 0 FGAEMP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261683548 497432135 /nfs/dbraw/zinc/43/21/35/497432135.db2.gz IMUSBBJTTUVJMY-MDYRTPRTSA-N 2 1 369.534 3.410 10 0 FGAEMP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261683548 497432139 /nfs/dbraw/zinc/43/21/39/497432139.db2.gz IMUSBBJTTUVJMY-MDYRTPRTSA-N 2 1 369.534 3.410 10 0 FGAEMP COc1cc2c(c(C[N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)c1)O[C@H](C)C2 ZINC000261704748 497436870 /nfs/dbraw/zinc/43/68/70/497436870.db2.gz JNBYBEOKUUCWLC-VMRPVKRXSA-N 2 1 352.478 3.193 10 0 FGAEMP CC(C)N(C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261816993 497456753 /nfs/dbraw/zinc/45/67/53/497456753.db2.gz RYSQHKNVJBDMPZ-CTNGQTDRSA-N 2 1 351.494 3.102 10 0 FGAEMP CC(C)N(C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261816993 497456759 /nfs/dbraw/zinc/45/67/59/497456759.db2.gz RYSQHKNVJBDMPZ-CTNGQTDRSA-N 2 1 351.494 3.102 10 0 FGAEMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261859131 497463684 /nfs/dbraw/zinc/46/36/84/497463684.db2.gz BZSCSGIEYCIBTG-AQNXPRMDSA-N 2 1 371.456 3.260 10 0 FGAEMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1OC1CCCC1 ZINC000261911108 497475316 /nfs/dbraw/zinc/47/53/16/497475316.db2.gz IZIROBJYSPFORC-XUVXKRRUSA-N 2 1 374.525 3.263 10 0 FGAEMP Cn1ccnc1C[N@H+](CCSCc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261971739 497485149 /nfs/dbraw/zinc/48/51/49/497485149.db2.gz QHFRUDRUYWPWLH-IBGZPJMESA-N 2 1 370.566 3.298 10 0 FGAEMP Cn1ccnc1C[N@@H+](CCSCc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261971739 497485151 /nfs/dbraw/zinc/48/51/51/497485151.db2.gz QHFRUDRUYWPWLH-IBGZPJMESA-N 2 1 370.566 3.298 10 0 FGAEMP c1ccc(-c2ccccc2OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262014684 497493025 /nfs/dbraw/zinc/49/30/25/497493025.db2.gz VXNCKHNCEXCWOY-YPAWHYETSA-N 2 1 366.505 3.479 10 0 FGAEMP CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000190488511 497501663 /nfs/dbraw/zinc/50/16/63/497501663.db2.gz VUNPVNSYMKSLAU-OAQYLSRUSA-N 2 1 365.525 3.031 10 0 FGAEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000190488511 497501669 /nfs/dbraw/zinc/50/16/69/497501669.db2.gz VUNPVNSYMKSLAU-OAQYLSRUSA-N 2 1 365.525 3.031 10 0 FGAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000245934487 497577153 /nfs/dbraw/zinc/57/71/53/497577153.db2.gz SYBVIRBQIQPIIZ-WMZOPIPTSA-N 2 1 355.486 3.167 10 0 FGAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000245981884 497589916 /nfs/dbraw/zinc/58/99/16/497589916.db2.gz BEHSICDCNUZUIH-ROUUACIJSA-N 2 1 374.529 3.026 10 0 FGAEMP CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000246109374 497625486 /nfs/dbraw/zinc/62/54/86/497625486.db2.gz JRPSEUQGBDEMHO-IEBWSBKVSA-N 2 1 374.529 3.108 10 0 FGAEMP CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246300198 497688830 /nfs/dbraw/zinc/68/88/30/497688830.db2.gz DNJUXQCFPVZTJU-OALUTQOASA-N 2 1 369.509 3.379 10 0 FGAEMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NCc1ccco1 ZINC000361254958 498365579 /nfs/dbraw/zinc/36/55/79/498365579.db2.gz GGGGSQLUMVJXQL-VOBGVNJCSA-N 2 1 367.493 3.070 10 0 FGAEMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)NCc1ccco1 ZINC000361254958 498365583 /nfs/dbraw/zinc/36/55/83/498365583.db2.gz GGGGSQLUMVJXQL-VOBGVNJCSA-N 2 1 367.493 3.070 10 0 FGAEMP C[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnc(C4CC4)s3)C2)ccn1 ZINC000886046193 739211552 /nfs/dbraw/zinc/21/15/52/739211552.db2.gz WACWMHIZTMKKOR-KRWDZBQOSA-N 2 1 358.511 3.130 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000121131797 494611083 /nfs/dbraw/zinc/61/10/83/494611083.db2.gz HFRKRIPHYDSKDK-CYBMUJFWSA-N 2 1 362.411 3.369 10 0 FGAEMP COc1cc(OC)c(OC)cc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813241 494757182 /nfs/dbraw/zinc/75/71/82/494757182.db2.gz LGVLWMSBZYUNOT-INIZCTEOSA-N 2 1 371.481 3.350 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccccc3N3CCOCC3)C2)[nH+]1 ZINC000092813339 494760987 /nfs/dbraw/zinc/76/09/87/494760987.db2.gz HMQASQASTKMNQX-IBGZPJMESA-N 2 1 366.509 3.161 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3N3CCOCC3)C2)[nH+]1 ZINC000092813339 494760992 /nfs/dbraw/zinc/76/09/92/494760992.db2.gz HMQASQASTKMNQX-IBGZPJMESA-N 2 1 366.509 3.161 10 0 FGAEMP C[N@H+](Cc1ccc(CO)cc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000182752751 495689400 /nfs/dbraw/zinc/68/94/00/495689400.db2.gz KFIJFCAILLLLOY-HSZRJFAPSA-N 2 1 368.521 3.056 10 0 FGAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000173781512 495689953 /nfs/dbraw/zinc/68/99/53/495689953.db2.gz MVPOWVPUEJVGHN-LEWJYISDSA-N 2 1 370.541 3.051 10 0 FGAEMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C12CCOCC2 ZINC000186316220 495944139 /nfs/dbraw/zinc/94/41/39/495944139.db2.gz XCBPWPIVNLGUPO-FDFHNCONSA-N 2 1 372.553 3.115 10 0 FGAEMP CC(C)n1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000172014303 496130343 /nfs/dbraw/zinc/13/03/43/496130343.db2.gz IFZPMNHMEBWLCI-JOCHJYFZSA-N 2 1 370.541 3.341 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000176153010 496705584 /nfs/dbraw/zinc/70/55/84/496705584.db2.gz TYKDTKVHDYRGQX-IRXDYDNUSA-N 2 1 364.559 3.011 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000246968111 496738631 /nfs/dbraw/zinc/73/86/31/496738631.db2.gz IZZAQURTWHPSGE-RDTXWAMCSA-N 2 1 360.889 3.014 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000246968111 496738636 /nfs/dbraw/zinc/73/86/36/496738636.db2.gz IZZAQURTWHPSGE-RDTXWAMCSA-N 2 1 360.889 3.014 10 0 FGAEMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000247536645 496883315 /nfs/dbraw/zinc/88/33/15/496883315.db2.gz QCXQKEQVPVLKSQ-WAOWUJCRSA-N 2 1 370.541 3.090 10 0 FGAEMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000247536642 496883334 /nfs/dbraw/zinc/88/33/34/496883334.db2.gz QCXQKEQVPVLKSQ-UEXGIBASSA-N 2 1 370.541 3.090 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247596761 496894705 /nfs/dbraw/zinc/89/47/05/496894705.db2.gz SNUVKBBZLGBYCA-NQIIRXRSSA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247596761 496894707 /nfs/dbraw/zinc/89/47/07/496894707.db2.gz SNUVKBBZLGBYCA-NQIIRXRSSA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247596761 496894711 /nfs/dbraw/zinc/89/47/11/496894711.db2.gz SNUVKBBZLGBYCA-NQIIRXRSSA-N 2 1 370.541 3.051 10 0 FGAEMP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000237984868 497323331 /nfs/dbraw/zinc/32/33/31/497323331.db2.gz MDSFGDQGCLBUQT-NHCUHLMSSA-N 2 1 363.505 3.048 10 0 FGAEMP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000193285464 497341912 /nfs/dbraw/zinc/34/19/12/497341912.db2.gz JVUUCMVRXQMZOG-MSOLQXFVSA-N 2 1 369.509 3.408 10 0 FGAEMP CN(c1ccccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000245513608 497436559 /nfs/dbraw/zinc/43/65/59/497436559.db2.gz CZXJVHHXOYYWBC-FCHUYYIVSA-N 2 1 357.542 3.360 10 0 FGAEMP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccc(Cl)cc3Br)C[C@H]12 ZINC000261717238 497437924 /nfs/dbraw/zinc/43/79/24/497437924.db2.gz JXHBESZYXOHJTM-VHRBIJSZSA-N 2 1 359.695 3.150 10 0 FGAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccc(Cl)cc3Br)C[C@H]12 ZINC000261717238 497437928 /nfs/dbraw/zinc/43/79/28/497437928.db2.gz JXHBESZYXOHJTM-VHRBIJSZSA-N 2 1 359.695 3.150 10 0 FGAEMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261859135 497463749 /nfs/dbraw/zinc/46/37/49/497463749.db2.gz BZSCSGIEYCIBTG-XUVXKRRUSA-N 2 1 371.456 3.260 10 0 FGAEMP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)cn2)cc1 ZINC000262004358 497491809 /nfs/dbraw/zinc/49/18/09/497491809.db2.gz UXNSCDIRPSKSFA-AQNXPRMDSA-N 2 1 371.456 3.260 10 0 FGAEMP c1sc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262047220 497498954 /nfs/dbraw/zinc/49/89/54/497498954.db2.gz ZFHAYNVKRJYEQW-OTWHNJEPSA-N 2 1 357.523 3.099 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000245925354 497574040 /nfs/dbraw/zinc/57/40/40/497574040.db2.gz HSDISJLHXGCNAC-MSOLQXFVSA-N 2 1 367.415 3.278 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000245925354 497574043 /nfs/dbraw/zinc/57/40/43/497574043.db2.gz HSDISJLHXGCNAC-MSOLQXFVSA-N 2 1 367.415 3.278 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000246907914 497819703 /nfs/dbraw/zinc/81/97/03/497819703.db2.gz FXAPPZYVNDORQM-FPOVZHCZSA-N 2 1 366.509 3.240 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000246907914 497819704 /nfs/dbraw/zinc/81/97/04/497819704.db2.gz FXAPPZYVNDORQM-FPOVZHCZSA-N 2 1 366.509 3.240 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc3ccccc3nc2Cl)CC1 ZINC000106126003 700506837 /nfs/dbraw/zinc/50/68/37/700506837.db2.gz QSUQJTUZWWZQKW-OAHLLOKOSA-N 2 1 361.917 3.413 10 0 FGAEMP C[NH+](C)C1(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCCC1 ZINC000304975655 713792136 /nfs/dbraw/zinc/79/21/36/713792136.db2.gz BHBALFRZJDKVIU-QGZVFWFLSA-N 2 1 353.551 3.488 10 0 FGAEMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000304929881 713792184 /nfs/dbraw/zinc/79/21/84/713792184.db2.gz LHTWRJJRAJIFRD-BBWFWOEESA-N 2 1 351.535 3.096 10 0 FGAEMP Cc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(OC(F)F)cc1C ZINC000121148802 494617020 /nfs/dbraw/zinc/61/70/20/494617020.db2.gz CKASSWDGJPYUNZ-MRXNPFEDSA-N 2 1 370.484 3.429 10 0 FGAEMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116289440 494753966 /nfs/dbraw/zinc/75/39/66/494753966.db2.gz UIUXHADFJWRBCD-MISYRCLQSA-N 2 1 367.493 3.196 10 0 FGAEMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116289440 494753970 /nfs/dbraw/zinc/75/39/70/494753970.db2.gz UIUXHADFJWRBCD-MISYRCLQSA-N 2 1 367.493 3.196 10 0 FGAEMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H]1c1ccco1 ZINC000116289440 494753979 /nfs/dbraw/zinc/75/39/79/494753979.db2.gz UIUXHADFJWRBCD-MISYRCLQSA-N 2 1 367.493 3.196 10 0 FGAEMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H]1c1ccco1 ZINC000116289440 494753985 /nfs/dbraw/zinc/75/39/85/494753985.db2.gz UIUXHADFJWRBCD-MISYRCLQSA-N 2 1 367.493 3.196 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2cccc(Cl)c2)CC1 ZINC000106124580 495417292 /nfs/dbraw/zinc/41/72/92/495417292.db2.gz GCGLJKDJQQXKSC-MRXNPFEDSA-N 2 1 354.922 3.134 10 0 FGAEMP CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000130688387 495430416 /nfs/dbraw/zinc/43/04/16/495430416.db2.gz ZUWCFRLVYOVVCH-INIZCTEOSA-N 2 1 364.559 3.087 10 0 FGAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000106427493 495455204 /nfs/dbraw/zinc/45/52/04/495455204.db2.gz DETZDENTTXOAHE-YADHBBJMSA-N 2 1 365.521 3.113 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154556941 495653788 /nfs/dbraw/zinc/65/37/88/495653788.db2.gz HSDISJLHXGCNAC-QZTJIDSGSA-N 2 1 367.415 3.278 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154556941 495653793 /nfs/dbraw/zinc/65/37/93/495653793.db2.gz HSDISJLHXGCNAC-QZTJIDSGSA-N 2 1 367.415 3.278 10 0 FGAEMP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000154573001 495657940 /nfs/dbraw/zinc/65/79/40/495657940.db2.gz RHBSJRDXZBMIOR-CRAIPNDOSA-N 2 1 356.470 3.082 10 0 FGAEMP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000154573001 495657946 /nfs/dbraw/zinc/65/79/46/495657946.db2.gz RHBSJRDXZBMIOR-CRAIPNDOSA-N 2 1 356.470 3.082 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177184873 495966362 /nfs/dbraw/zinc/96/63/62/495966362.db2.gz LKIRCRZZZQCUNK-SFTDATJTSA-N 2 1 366.509 3.095 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177184873 495966368 /nfs/dbraw/zinc/96/63/68/495966368.db2.gz LKIRCRZZZQCUNK-SFTDATJTSA-N 2 1 366.509 3.095 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCCOc3ccc4c(c3)OCO4)C2)[nH+]1 ZINC000171648491 495968032 /nfs/dbraw/zinc/96/80/32/495968032.db2.gz YNSRILAPINEUGR-QGZVFWFLSA-N 2 1 369.465 3.322 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCOc3ccc4c(c3)OCO4)C2)[nH+]1 ZINC000171648491 495968040 /nfs/dbraw/zinc/96/80/40/495968040.db2.gz YNSRILAPINEUGR-QGZVFWFLSA-N 2 1 369.465 3.322 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000177389786 496042686 /nfs/dbraw/zinc/04/26/86/496042686.db2.gz YFXDOECSAVDEJQ-FQEVSTJZSA-N 2 1 360.546 3.153 10 0 FGAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000177389786 496042690 /nfs/dbraw/zinc/04/26/90/496042690.db2.gz YFXDOECSAVDEJQ-FQEVSTJZSA-N 2 1 360.546 3.153 10 0 FGAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000177389786 496042694 /nfs/dbraw/zinc/04/26/94/496042694.db2.gz YFXDOECSAVDEJQ-FQEVSTJZSA-N 2 1 360.546 3.153 10 0 FGAEMP C[N@@H+](CCc1cccnc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000172162518 496191275 /nfs/dbraw/zinc/19/12/75/496191275.db2.gz VYJDIDVYOAPMTF-JOCHJYFZSA-N 2 1 353.510 3.002 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000178293307 496400791 /nfs/dbraw/zinc/40/07/91/496400791.db2.gz DSHZLKBPQOLGHV-HOCLYGCPSA-N 2 1 360.889 3.187 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000178293307 496400798 /nfs/dbraw/zinc/40/07/98/496400798.db2.gz DSHZLKBPQOLGHV-HOCLYGCPSA-N 2 1 360.889 3.187 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000175641851 496478899 /nfs/dbraw/zinc/47/88/99/496478899.db2.gz JHEADHOOEFPXQP-HMXCVIKNSA-N 2 1 372.557 3.165 10 0 FGAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175641851 496478902 /nfs/dbraw/zinc/47/89/02/496478902.db2.gz JHEADHOOEFPXQP-HMXCVIKNSA-N 2 1 372.557 3.165 10 0 FGAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175641851 496478905 /nfs/dbraw/zinc/47/89/05/496478905.db2.gz JHEADHOOEFPXQP-HMXCVIKNSA-N 2 1 372.557 3.165 10 0 FGAEMP CCC[C@H](NC(=O)C[N@H+]1CCC[C@H]1Cn1ccnc1C)c1ccccc1 ZINC000247108666 496781595 /nfs/dbraw/zinc/78/15/95/496781595.db2.gz QYKJCAKXLGLLTE-PMACEKPBSA-N 2 1 354.498 3.314 10 0 FGAEMP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000247108666 496781601 /nfs/dbraw/zinc/78/16/01/496781601.db2.gz QYKJCAKXLGLLTE-PMACEKPBSA-N 2 1 354.498 3.314 10 0 FGAEMP CCc1nccn1[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000247568927 496891166 /nfs/dbraw/zinc/89/11/66/496891166.db2.gz GYGMVOCZGPNOIY-WBVHZDCISA-N 2 1 356.470 3.118 10 0 FGAEMP CC1CCN(C(=O)CCC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](C[NH+]2C)[C@@H]34)CC1 ZINC000257177122 497383614 /nfs/dbraw/zinc/38/36/14/497383614.db2.gz AWOOBXNBEXBRJQ-HIUFNZKISA-N 2 1 361.574 3.220 10 0 FGAEMP CC1CCN(C(=O)CCC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](C[NH+]2C)[C@@H]34)CC1 ZINC000257177122 497383617 /nfs/dbraw/zinc/38/36/17/497383617.db2.gz AWOOBXNBEXBRJQ-HIUFNZKISA-N 2 1 361.574 3.220 10 0 FGAEMP CC1CCN(C(=O)CCC[C@@H]2[C@H]3CCC[NH+]4CCC[C@@H](C[N@@H+]2C)[C@@H]34)CC1 ZINC000257177122 497383622 /nfs/dbraw/zinc/38/36/22/497383622.db2.gz AWOOBXNBEXBRJQ-HIUFNZKISA-N 2 1 361.574 3.220 10 0 FGAEMP CC1CCN(C(=O)CCC[C@@H]2[C@H]3CCC[NH+]4CCC[C@@H](C[N@H+]2C)[C@@H]34)CC1 ZINC000257177122 497383627 /nfs/dbraw/zinc/38/36/27/497383627.db2.gz AWOOBXNBEXBRJQ-HIUFNZKISA-N 2 1 361.574 3.220 10 0 FGAEMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261613477 497420442 /nfs/dbraw/zinc/42/04/42/497420442.db2.gz CFYWHWNLXCZYII-BWAGFHJFSA-N 2 1 365.521 3.016 10 0 FGAEMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261613477 497420447 /nfs/dbraw/zinc/42/04/47/497420447.db2.gz CFYWHWNLXCZYII-BWAGFHJFSA-N 2 1 365.521 3.016 10 0 FGAEMP CCOc1c(OC)cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC ZINC000261765382 497446691 /nfs/dbraw/zinc/44/66/91/497446691.db2.gz ROVREKIKVXXOTK-MOPGFXCFSA-N 2 1 370.493 3.277 10 0 FGAEMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261778369 497449467 /nfs/dbraw/zinc/44/94/67/497449467.db2.gz PGBQGNQZZOKKDT-QMMLZNLJSA-N 2 1 367.493 3.087 10 0 FGAEMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261778369 497449473 /nfs/dbraw/zinc/44/94/73/497449473.db2.gz PGBQGNQZZOKKDT-QMMLZNLJSA-N 2 1 367.493 3.087 10 0 FGAEMP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cn2)cc1 ZINC000262004359 497491378 /nfs/dbraw/zinc/49/13/78/497491378.db2.gz UXNSCDIRPSKSFA-VAMGGRTRSA-N 2 1 371.456 3.260 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H](O)COCc2ccccc2)C1 ZINC000246722183 497804293 /nfs/dbraw/zinc/80/42/93/497804293.db2.gz NIFHWLRAKNFCPP-BAGYTPMASA-N 2 1 360.542 3.151 10 0 FGAEMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000246722183 497804295 /nfs/dbraw/zinc/80/42/95/497804295.db2.gz NIFHWLRAKNFCPP-BAGYTPMASA-N 2 1 360.542 3.151 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000246722183 497804296 /nfs/dbraw/zinc/80/42/96/497804296.db2.gz NIFHWLRAKNFCPP-BAGYTPMASA-N 2 1 360.542 3.151 10 0 FGAEMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000246722183 497804298 /nfs/dbraw/zinc/80/42/98/497804298.db2.gz NIFHWLRAKNFCPP-BAGYTPMASA-N 2 1 360.542 3.151 10 0 FGAEMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000246722183 497804300 /nfs/dbraw/zinc/80/43/00/497804300.db2.gz NIFHWLRAKNFCPP-BAGYTPMASA-N 2 1 360.542 3.151 10 0 FGAEMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000379659836 499542735 /nfs/dbraw/zinc/54/27/35/499542735.db2.gz BFOLJIDETOGCBU-RBBKRZOGSA-N 2 1 363.505 3.044 10 0 FGAEMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247235391 713637866 /nfs/dbraw/zinc/63/78/66/713637866.db2.gz YFPAATSQLVNNHO-ZWKOTPCHSA-N 2 1 353.551 3.344 10 0 FGAEMP Cc1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012306311 494221431 /nfs/dbraw/zinc/22/14/31/494221431.db2.gz ADOKIMZWJVOHOH-JOCHJYFZSA-N 2 1 372.557 3.476 10 0 FGAEMP Cc1[nH+]ccn1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012306311 494221433 /nfs/dbraw/zinc/22/14/33/494221433.db2.gz ADOKIMZWJVOHOH-JOCHJYFZSA-N 2 1 372.557 3.476 10 0 FGAEMP O=C(NC1CCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012718971 494251364 /nfs/dbraw/zinc/25/13/64/494251364.db2.gz OFGZKFNPUNEGJJ-LJQANCHMSA-N 2 1 355.526 3.032 10 0 FGAEMP O=C(NC1CCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012718971 494251368 /nfs/dbraw/zinc/25/13/68/494251368.db2.gz OFGZKFNPUNEGJJ-LJQANCHMSA-N 2 1 355.526 3.032 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc(-n4cncn4)c(C)c3)C2)[nH+]1 ZINC000092813052 494757507 /nfs/dbraw/zinc/75/75/07/494757507.db2.gz HOQFYSWCBOEALM-LJQANCHMSA-N 2 1 362.481 3.213 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(-n4cncn4)c(C)c3)C2)[nH+]1 ZINC000092813052 494757514 /nfs/dbraw/zinc/75/75/14/494757514.db2.gz HOQFYSWCBOEALM-LJQANCHMSA-N 2 1 362.481 3.213 10 0 FGAEMP COCCOc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000092813363 494762308 /nfs/dbraw/zinc/76/23/08/494762308.db2.gz UFFXXGFEGCXBJF-IBGZPJMESA-N 2 1 355.482 3.349 10 0 FGAEMP COCCOc1ccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000092813363 494762314 /nfs/dbraw/zinc/76/23/14/494762314.db2.gz UFFXXGFEGCXBJF-IBGZPJMESA-N 2 1 355.482 3.349 10 0 FGAEMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccsc1 ZINC000105124003 495338961 /nfs/dbraw/zinc/33/89/61/495338961.db2.gz DRTUZHLQESYMTC-MSOLQXFVSA-N 2 1 364.559 3.011 10 0 FGAEMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114563116 495392282 /nfs/dbraw/zinc/39/22/82/495392282.db2.gz NIFHWLRAKNFCPP-CEMLEFRQSA-N 2 1 360.542 3.151 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114563116 495392285 /nfs/dbraw/zinc/39/22/85/495392285.db2.gz NIFHWLRAKNFCPP-CEMLEFRQSA-N 2 1 360.542 3.151 10 0 FGAEMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114563116 495392288 /nfs/dbraw/zinc/39/22/88/495392288.db2.gz NIFHWLRAKNFCPP-CEMLEFRQSA-N 2 1 360.542 3.151 10 0 FGAEMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000114563116 495392290 /nfs/dbraw/zinc/39/22/90/495392290.db2.gz NIFHWLRAKNFCPP-CEMLEFRQSA-N 2 1 360.542 3.151 10 0 FGAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176501375 495675349 /nfs/dbraw/zinc/67/53/49/495675349.db2.gz AAJFUOIQKRIMQR-AZUAARDMSA-N 2 1 362.562 3.052 10 0 FGAEMP COc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1OC(F)F ZINC000180126203 495869470 /nfs/dbraw/zinc/86/94/70/495869470.db2.gz UUFHSDUUCBLAOS-HNNXBMFYSA-N 2 1 351.397 3.466 10 0 FGAEMP COc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1OC(F)F ZINC000180126203 495869479 /nfs/dbraw/zinc/86/94/79/495869479.db2.gz UUFHSDUUCBLAOS-HNNXBMFYSA-N 2 1 351.397 3.466 10 0 FGAEMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000174236846 495875932 /nfs/dbraw/zinc/87/59/32/495875932.db2.gz GTAKJBQWPREXRZ-RTWAWAEBSA-N 2 1 372.557 3.024 10 0 FGAEMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000174236846 495875935 /nfs/dbraw/zinc/87/59/35/495875935.db2.gz GTAKJBQWPREXRZ-RTWAWAEBSA-N 2 1 372.557 3.024 10 0 FGAEMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000174236846 495875940 /nfs/dbraw/zinc/87/59/40/495875940.db2.gz GTAKJBQWPREXRZ-RTWAWAEBSA-N 2 1 372.557 3.024 10 0 FGAEMP CCN(C(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C1CCCCC1 ZINC000171651536 495970866 /nfs/dbraw/zinc/97/08/66/495970866.db2.gz ASMRFAWUKIZKKV-SFHVURJKSA-N 2 1 358.530 3.305 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000177710547 496168118 /nfs/dbraw/zinc/16/81/18/496168118.db2.gz VMSMOIAALXWADC-ZDUSSCGKSA-N 2 1 373.310 3.113 10 0 FGAEMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1OCC ZINC000178609841 496515610 /nfs/dbraw/zinc/51/56/10/496515610.db2.gz PGQLAROPXQIYRW-QGZVFWFLSA-N 2 1 364.530 3.009 10 0 FGAEMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000158046987 496615040 /nfs/dbraw/zinc/61/50/40/496615040.db2.gz ZYOJZPYERCXSLE-GOSISDBHSA-N 2 1 373.541 3.353 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000247028373 496757085 /nfs/dbraw/zinc/75/70/85/496757085.db2.gz MGHIPAAZXZOBGW-XLIONFOSSA-N 2 1 354.498 3.150 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000247028373 496757090 /nfs/dbraw/zinc/75/70/90/496757090.db2.gz MGHIPAAZXZOBGW-XLIONFOSSA-N 2 1 354.498 3.150 10 0 FGAEMP Cc1cnn([C@@H]2CCCN(CCC[N@H+]3CCC[C@@H](n4cc(C)cn4)C3)C2)c1 ZINC000247079345 496773567 /nfs/dbraw/zinc/77/35/67/496773567.db2.gz SVUYDYWDSRCVOA-NHCUHLMSSA-N 2 1 370.545 3.061 10 0 FGAEMP Cc1cnn([C@@H]2CCC[NH+](CCC[N@H+]3CCC[C@@H](n4cc(C)cn4)C3)C2)c1 ZINC000247079345 496773571 /nfs/dbraw/zinc/77/35/71/496773571.db2.gz SVUYDYWDSRCVOA-NHCUHLMSSA-N 2 1 370.545 3.061 10 0 FGAEMP Cc1cnn([C@@H]2CCC[NH+](CCC[N@@H+]3CCC[C@@H](n4cc(C)cn4)C3)C2)c1 ZINC000247079345 496773578 /nfs/dbraw/zinc/77/35/78/496773578.db2.gz SVUYDYWDSRCVOA-NHCUHLMSSA-N 2 1 370.545 3.061 10 0 FGAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000247130640 496788648 /nfs/dbraw/zinc/78/86/48/496788648.db2.gz SGXYPSGUPQGCTJ-FPOVZHCZSA-N 2 1 354.498 3.169 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000247130640 496788653 /nfs/dbraw/zinc/78/86/53/496788653.db2.gz SGXYPSGUPQGCTJ-FPOVZHCZSA-N 2 1 354.498 3.169 10 0 FGAEMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247503445 496875246 /nfs/dbraw/zinc/87/52/46/496875246.db2.gz XTVICZXYCHVIMW-YLJYHZDGSA-N 2 1 360.546 3.008 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000247587770 496893640 /nfs/dbraw/zinc/89/36/40/496893640.db2.gz JGGSSWNCJFBMIE-ZIFCJYIRSA-N 2 1 366.509 3.449 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)C1 ZINC000247587770 496893641 /nfs/dbraw/zinc/89/36/41/496893641.db2.gz JGGSSWNCJFBMIE-ZIFCJYIRSA-N 2 1 366.509 3.449 10 0 FGAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248390619 496991525 /nfs/dbraw/zinc/99/15/25/496991525.db2.gz BKMYWVHBNZEEBS-CMKODMSKSA-N 2 1 364.578 3.059 10 0 FGAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248390619 496991528 /nfs/dbraw/zinc/99/15/28/496991528.db2.gz BKMYWVHBNZEEBS-CMKODMSKSA-N 2 1 364.578 3.059 10 0 FGAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248390619 496991531 /nfs/dbraw/zinc/99/15/31/496991531.db2.gz BKMYWVHBNZEEBS-CMKODMSKSA-N 2 1 364.578 3.059 10 0 FGAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248663618 497075884 /nfs/dbraw/zinc/07/58/84/497075884.db2.gz ZWISGALTMWNFSH-BDTNDASRSA-N 2 1 360.542 3.151 10 0 FGAEMP CCCCOC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248663618 497075889 /nfs/dbraw/zinc/07/58/89/497075889.db2.gz ZWISGALTMWNFSH-BDTNDASRSA-N 2 1 360.542 3.151 10 0 FGAEMP CCCCOC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248663618 497075893 /nfs/dbraw/zinc/07/58/93/497075893.db2.gz ZWISGALTMWNFSH-BDTNDASRSA-N 2 1 360.542 3.151 10 0 FGAEMP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000237133537 497195972 /nfs/dbraw/zinc/19/59/72/497195972.db2.gz YDGHMCSPKRRSHM-FGZHOGPDSA-N 2 1 365.521 3.275 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000261783333 497450728 /nfs/dbraw/zinc/45/07/28/497450728.db2.gz PPLNLMWZTLRGPN-LSTHTHJFSA-N 2 1 369.896 3.120 10 0 FGAEMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C[C@H]1c1ccccc1 ZINC000261783333 497450733 /nfs/dbraw/zinc/45/07/33/497450733.db2.gz PPLNLMWZTLRGPN-LSTHTHJFSA-N 2 1 369.896 3.120 10 0 FGAEMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1F ZINC000261812218 497455245 /nfs/dbraw/zinc/45/52/45/497455245.db2.gz ROWGFDDXIXHFFZ-SUMDDJOVSA-N 2 1 355.457 3.135 10 0 FGAEMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1F ZINC000261812218 497455250 /nfs/dbraw/zinc/45/52/50/497455250.db2.gz ROWGFDDXIXHFFZ-SUMDDJOVSA-N 2 1 355.457 3.135 10 0 FGAEMP FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261924763 497477175 /nfs/dbraw/zinc/47/71/75/497477175.db2.gz KXUSNUMKYQUHPW-INDMIFKZSA-N 2 1 366.452 3.412 10 0 FGAEMP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cn2)cc1 ZINC000262004361 497491950 /nfs/dbraw/zinc/49/19/50/497491950.db2.gz UXNSCDIRPSKSFA-ZCNNSNEGSA-N 2 1 371.456 3.260 10 0 FGAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)cc2)C1 ZINC000262046044 497498827 /nfs/dbraw/zinc/49/88/27/497498827.db2.gz ZBIFZEOTLJMQRS-HWHRFOGPSA-N 2 1 371.569 3.165 10 0 FGAEMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000262046044 497498828 /nfs/dbraw/zinc/49/88/28/497498828.db2.gz ZBIFZEOTLJMQRS-HWHRFOGPSA-N 3 1 371.569 3.165 10 0 FGAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000262046044 497498831 /nfs/dbraw/zinc/49/88/31/497498831.db2.gz ZBIFZEOTLJMQRS-HWHRFOGPSA-N 3 1 371.569 3.165 10 0 FGAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000246198626 497657732 /nfs/dbraw/zinc/65/77/32/497657732.db2.gz MVPOWVPUEJVGHN-SFTDATJTSA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000246273721 497679369 /nfs/dbraw/zinc/67/93/69/497679369.db2.gz JCIAKLVHXXZHMZ-HLAWJBBLSA-N 2 1 372.557 3.023 10 0 FGAEMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000246273721 497679372 /nfs/dbraw/zinc/67/93/72/497679372.db2.gz JCIAKLVHXXZHMZ-HLAWJBBLSA-N 2 1 372.557 3.023 10 0 FGAEMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000246273721 497679377 /nfs/dbraw/zinc/67/93/77/497679377.db2.gz JCIAKLVHXXZHMZ-HLAWJBBLSA-N 2 1 372.557 3.023 10 0 FGAEMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000125492893 700736472 /nfs/dbraw/zinc/73/64/72/700736472.db2.gz DYDZZLROFNNXGM-KRWDZBQOSA-N 2 1 350.507 3.351 10 0 FGAEMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000125492893 700736474 /nfs/dbraw/zinc/73/64/74/700736474.db2.gz DYDZZLROFNNXGM-KRWDZBQOSA-N 2 1 350.507 3.351 10 0 FGAEMP OC[C@@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000169782441 705351782 /nfs/dbraw/zinc/35/17/82/705351782.db2.gz KVPGYLRFSBRUSA-INIZCTEOSA-N 2 1 350.453 3.024 10 0 FGAEMP OC[C@@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000169782441 705351786 /nfs/dbraw/zinc/35/17/86/705351786.db2.gz KVPGYLRFSBRUSA-INIZCTEOSA-N 2 1 350.453 3.024 10 0 FGAEMP CC(C)[C@H](C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000236673476 713582320 /nfs/dbraw/zinc/58/23/20/713582320.db2.gz ABKZMSRWOZZTPR-MSOLQXFVSA-N 2 1 353.551 3.344 10 0 FGAEMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000122660271 495011480 /nfs/dbraw/zinc/01/14/80/495011480.db2.gz PNFPGRXHLWZVQY-GOSISDBHSA-N 2 1 362.543 3.039 10 0 FGAEMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000122660271 495011483 /nfs/dbraw/zinc/01/14/83/495011483.db2.gz PNFPGRXHLWZVQY-GOSISDBHSA-N 2 1 362.543 3.039 10 0 FGAEMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000111240446 495052229 /nfs/dbraw/zinc/05/22/29/495052229.db2.gz ASSTZOVQOVOLGF-IBGZPJMESA-N 2 1 354.922 3.024 10 0 FGAEMP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nc(C2CC2)no1 ZINC000112550111 495204203 /nfs/dbraw/zinc/20/42/03/495204203.db2.gz HAEPDKGHABWRJP-BEFAXECRSA-N 2 1 370.497 3.043 10 0 FGAEMP COc1ccccc1C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C(C)C ZINC000124524035 495301555 /nfs/dbraw/zinc/30/15/55/495301555.db2.gz VZJAYEAIVNSXIN-OAQYLSRUSA-N 2 1 361.574 3.126 10 0 FGAEMP Cc1ncc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)s1 ZINC000106127008 495416860 /nfs/dbraw/zinc/41/68/60/495416860.db2.gz BNTGWZZIZYUEDO-FQEVSTJZSA-N 2 1 359.539 3.329 10 0 FGAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000106427502 495455086 /nfs/dbraw/zinc/45/50/86/495455086.db2.gz DETZDENTTXOAHE-FGZHOGPDSA-N 2 1 365.521 3.113 10 0 FGAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000176352060 495615540 /nfs/dbraw/zinc/61/55/40/495615540.db2.gz TWFNTHRVKCLDAJ-YLJYHZDGSA-N 2 1 374.529 3.028 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000176352060 495615548 /nfs/dbraw/zinc/61/55/48/495615548.db2.gz TWFNTHRVKCLDAJ-YLJYHZDGSA-N 2 1 374.529 3.028 10 0 FGAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000173752181 495677570 /nfs/dbraw/zinc/67/75/70/495677570.db2.gz LHOYNNJSARRQEV-NHCUHLMSSA-N 2 1 372.557 3.295 10 0 FGAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000173752181 495677573 /nfs/dbraw/zinc/67/75/73/495677573.db2.gz LHOYNNJSARRQEV-NHCUHLMSSA-N 2 1 372.557 3.295 10 0 FGAEMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000173752181 495677576 /nfs/dbraw/zinc/67/75/76/495677576.db2.gz LHOYNNJSARRQEV-NHCUHLMSSA-N 2 1 372.557 3.295 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000151885239 495981632 /nfs/dbraw/zinc/98/16/32/495981632.db2.gz FFOLXWYZCOPIKG-RTBURBONSA-N 2 1 369.513 3.095 10 0 FGAEMP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178291061 496401661 /nfs/dbraw/zinc/40/16/61/496401661.db2.gz GUCHSJKRJXRDIY-WMLDXEAASA-N 2 1 358.511 3.405 10 0 FGAEMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178291061 496401664 /nfs/dbraw/zinc/40/16/64/496401664.db2.gz GUCHSJKRJXRDIY-WMLDXEAASA-N 2 1 358.511 3.405 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000178320306 496411852 /nfs/dbraw/zinc/41/18/52/496411852.db2.gz JOILANJKOZXCTR-NRFANRHFSA-N 2 1 368.525 3.138 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000178320306 496411859 /nfs/dbraw/zinc/41/18/59/496411859.db2.gz JOILANJKOZXCTR-NRFANRHFSA-N 2 1 368.525 3.138 10 0 FGAEMP CCC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000158461051 496707005 /nfs/dbraw/zinc/70/70/05/496707005.db2.gz AZVNXLOOOKFYEX-SJORKVTESA-N 2 1 371.447 3.126 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NCc1ccccc1Cl ZINC000247164556 496796631 /nfs/dbraw/zinc/79/66/31/496796631.db2.gz UZUVYLRHHGOERI-PBHICJAKSA-N 2 1 360.889 3.014 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NCc1ccccc1Cl ZINC000247164556 496796636 /nfs/dbraw/zinc/79/66/36/496796636.db2.gz UZUVYLRHHGOERI-PBHICJAKSA-N 2 1 360.889 3.014 10 0 FGAEMP CCO[C@H]1C[C@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000191577187 496819063 /nfs/dbraw/zinc/81/90/63/496819063.db2.gz CIFAMLAGEFXWEA-PMACEKPBSA-N 2 1 351.579 3.072 10 0 FGAEMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000191577200 496819289 /nfs/dbraw/zinc/81/92/89/496819289.db2.gz CIFAMLAGEFXWEA-WOJBJXKFSA-N 2 1 351.579 3.072 10 0 FGAEMP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1OC(F)F ZINC000261608775 497418450 /nfs/dbraw/zinc/41/84/50/497418450.db2.gz AKJKAXFPWHKAFL-SJORKVTESA-N 2 1 362.420 3.471 10 0 FGAEMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1OC(F)F ZINC000261608775 497418454 /nfs/dbraw/zinc/41/84/54/497418454.db2.gz AKJKAXFPWHKAFL-SJORKVTESA-N 2 1 362.420 3.471 10 0 FGAEMP C[C@H](C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000261954066 497482289 /nfs/dbraw/zinc/48/22/89/497482289.db2.gz OJYNMXKCWGRUHF-APWZRJJASA-N 2 1 356.489 3.307 10 0 FGAEMP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261968912 497485179 /nfs/dbraw/zinc/48/51/79/497485179.db2.gz QJNMIOVTLVICBB-YTFSRNRJSA-N 3 1 371.569 3.309 10 0 FGAEMP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)cn2)cc1 ZINC000262004360 497491690 /nfs/dbraw/zinc/49/16/90/497491690.db2.gz UXNSCDIRPSKSFA-XUVXKRRUSA-N 2 1 371.456 3.260 10 0 FGAEMP COc1ccc(OC)c(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190479689 497497230 /nfs/dbraw/zinc/49/72/30/497497230.db2.gz UWUYYUZNAFVAJC-SFHVURJKSA-N 2 1 355.482 3.053 10 0 FGAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000090773299 700407279 /nfs/dbraw/zinc/40/72/79/700407279.db2.gz XRASGHVDSOOARP-LSDHHAIUSA-N 2 1 352.910 3.162 10 0 FGAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156329603 705111564 /nfs/dbraw/zinc/11/15/64/705111564.db2.gz ZZNFCSGDSAZJIU-RCCFBDPRSA-N 2 1 353.551 3.344 10 0 FGAEMP C[C@@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000637886848 717387204 /nfs/dbraw/zinc/38/72/04/717387204.db2.gz UTRHWTAHZRCDKB-MRXNPFEDSA-N 2 1 357.523 3.309 10 0 FGAEMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)COCc3ccccc3)C2)CC1 ZINC000084962296 494108661 /nfs/dbraw/zinc/10/86/61/494108661.db2.gz BEFJWMGUVIKZDB-YADHBBJMSA-N 2 1 360.542 3.008 10 0 FGAEMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)COCc3ccccc3)C2)CC1 ZINC000084962293 494108884 /nfs/dbraw/zinc/10/88/84/494108884.db2.gz BEFJWMGUVIKZDB-VXKWHMMOSA-N 2 1 360.542 3.008 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000121114894 494601976 /nfs/dbraw/zinc/60/19/76/494601976.db2.gz YAIXJRINXJYNOO-ZDUSSCGKSA-N 2 1 362.411 3.369 10 0 FGAEMP COc1cc(OC)c(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(OC)c1 ZINC000092813293 494759076 /nfs/dbraw/zinc/75/90/76/494759076.db2.gz LXQPBCMKQVEYLR-INIZCTEOSA-N 2 1 371.481 3.350 10 0 FGAEMP COCCOc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000092813364 494761348 /nfs/dbraw/zinc/76/13/48/494761348.db2.gz UFFXXGFEGCXBJF-LJQANCHMSA-N 2 1 355.482 3.349 10 0 FGAEMP COCCOc1ccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000092813364 494761352 /nfs/dbraw/zinc/76/13/52/494761352.db2.gz UFFXXGFEGCXBJF-LJQANCHMSA-N 2 1 355.482 3.349 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000106124919 495417167 /nfs/dbraw/zinc/41/71/67/495417167.db2.gz OBBIGGWPMPYXHS-CQSZACIVSA-N 2 1 360.420 3.110 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000115543108 495513984 /nfs/dbraw/zinc/51/39/84/495513984.db2.gz ZVKADZNWKUFTME-RTBURBONSA-N 2 1 370.472 3.417 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000115543108 495513986 /nfs/dbraw/zinc/51/39/86/495513986.db2.gz ZVKADZNWKUFTME-RTBURBONSA-N 2 1 370.472 3.417 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N(C)Cc3ccccc3C)C2)[nH+]1 ZINC000171652238 495972621 /nfs/dbraw/zinc/97/26/21/495972621.db2.gz PBJCOXPGUWIYSI-LJQANCHMSA-N 2 1 366.509 3.091 10 0 FGAEMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171871246 496070746 /nfs/dbraw/zinc/07/07/46/496070746.db2.gz HRQQDPCMNJVYDK-NRFANRHFSA-N 2 1 370.541 3.052 10 0 FGAEMP CC(C)CCc1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cs1 ZINC000173335320 496648047 /nfs/dbraw/zinc/64/80/47/496648047.db2.gz HPPRTHIRKWZJTM-MRXNPFEDSA-N 2 1 353.576 3.256 10 0 FGAEMP CC(C)CCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cs1 ZINC000173335320 496648053 /nfs/dbraw/zinc/64/80/53/496648053.db2.gz HPPRTHIRKWZJTM-MRXNPFEDSA-N 2 1 353.576 3.256 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000248671515 497077149 /nfs/dbraw/zinc/07/71/49/497077149.db2.gz TZNKZGIYWINFHB-FXAWDEMLSA-N 2 1 362.518 3.303 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000248671515 497077153 /nfs/dbraw/zinc/07/71/53/497077153.db2.gz TZNKZGIYWINFHB-FXAWDEMLSA-N 2 1 362.518 3.303 10 0 FGAEMP CCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000236868647 497160526 /nfs/dbraw/zinc/16/05/26/497160526.db2.gz OTTLWMAKTZPREB-ZWKOTPCHSA-N 2 1 357.523 3.091 10 0 FGAEMP CCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000236868647 497160534 /nfs/dbraw/zinc/16/05/34/497160534.db2.gz OTTLWMAKTZPREB-ZWKOTPCHSA-N 2 1 357.523 3.091 10 0 FGAEMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000249513065 497215355 /nfs/dbraw/zinc/21/53/55/497215355.db2.gz WHCYSPDSDJIFPW-AZUAARDMSA-N 2 1 360.546 3.101 10 0 FGAEMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261804512 497453864 /nfs/dbraw/zinc/45/38/64/497453864.db2.gz RCGFXEJSPQNIFB-SXLOBPIMSA-N 2 1 351.494 3.305 10 0 FGAEMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261804512 497453869 /nfs/dbraw/zinc/45/38/69/497453869.db2.gz RCGFXEJSPQNIFB-SXLOBPIMSA-N 2 1 351.494 3.305 10 0 FGAEMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261952261 497482281 /nfs/dbraw/zinc/48/22/81/497482281.db2.gz OMWNGSACXDMGPN-ZLNRFVROSA-N 3 1 371.569 3.165 10 0 FGAEMP C[C@H](C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000261954072 497482356 /nfs/dbraw/zinc/48/23/56/497482356.db2.gz OJYNMXKCWGRUHF-VQIMIIECSA-N 2 1 356.489 3.307 10 0 FGAEMP Cn1ccnc1C[N@H+](CCSCc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261971743 497485186 /nfs/dbraw/zinc/48/51/86/497485186.db2.gz QHFRUDRUYWPWLH-LJQANCHMSA-N 2 1 370.566 3.298 10 0 FGAEMP Cn1ccnc1C[N@@H+](CCSCc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261971743 497485187 /nfs/dbraw/zinc/48/51/87/497485187.db2.gz QHFRUDRUYWPWLH-LJQANCHMSA-N 2 1 370.566 3.298 10 0 FGAEMP c1sc(-c2ccccc2)nc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262047217 497498976 /nfs/dbraw/zinc/49/89/76/497498976.db2.gz ZFHAYNVKRJYEQW-GUDVDZBRSA-N 2 1 357.523 3.099 10 0 FGAEMP Cc1cccc(C)c1OCC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262066475 497503182 /nfs/dbraw/zinc/50/31/82/497503182.db2.gz BBTCJULLSDEDEZ-LJQANCHMSA-N 2 1 368.525 3.060 10 0 FGAEMP Cc1cccc(C)c1OCC[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262066475 497503186 /nfs/dbraw/zinc/50/31/86/497503186.db2.gz BBTCJULLSDEDEZ-LJQANCHMSA-N 2 1 368.525 3.060 10 0 FGAEMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccsc1 ZINC000246357479 497707214 /nfs/dbraw/zinc/70/72/14/497707214.db2.gz DRTUZHLQESYMTC-ROUUACIJSA-N 2 1 364.559 3.011 10 0 FGAEMP Cc1[nH+]ccn1-c1cncc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000302087453 498401197 /nfs/dbraw/zinc/40/11/97/498401197.db2.gz ZRQMSVWSOZHRBI-AEFFLSMTSA-N 2 1 354.502 3.062 10 0 FGAEMP Cc1[nH+]ccn1-c1cncc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000302087453 498401203 /nfs/dbraw/zinc/40/12/03/498401203.db2.gz ZRQMSVWSOZHRBI-AEFFLSMTSA-N 2 1 354.502 3.062 10 0 FGAEMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000305462646 713792913 /nfs/dbraw/zinc/79/29/13/713792913.db2.gz CRFCZVLJBHMZIJ-SJORKVTESA-N 2 1 353.551 3.486 10 0 FGAEMP C[C@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000637886847 717387380 /nfs/dbraw/zinc/38/73/80/717387380.db2.gz UTRHWTAHZRCDKB-INIZCTEOSA-N 2 1 357.523 3.309 10 0 FGAEMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000700805873 722409881 /nfs/dbraw/zinc/40/98/81/722409881.db2.gz VMESJLVMJNNQJE-RCCFBDPRSA-N 2 1 353.551 3.344 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089732575 494350235 /nfs/dbraw/zinc/35/02/35/494350235.db2.gz FUCLMIQJELUTPK-QFBILLFUSA-N 2 1 362.481 3.290 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089732576 494350521 /nfs/dbraw/zinc/35/05/21/494350521.db2.gz FUCLMIQJELUTPK-APWZRJJASA-N 2 1 362.481 3.290 10 0 FGAEMP Cc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc(C)c1OC(F)F ZINC000121098443 494595296 /nfs/dbraw/zinc/59/52/96/494595296.db2.gz URGGTTZAWLFAMG-MRXNPFEDSA-N 2 1 370.484 3.429 10 0 FGAEMP CN(c1ccccc1C[N@H+]1CCC[C@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000131904611 494768642 /nfs/dbraw/zinc/76/86/42/494768642.db2.gz RECLQHRBKAXHNG-QFIPXVFZSA-N 2 1 367.541 3.288 10 0 FGAEMP CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cc(C[NH+](C)C)cs1)C2 ZINC000092096679 494787892 /nfs/dbraw/zinc/78/78/92/494787892.db2.gz TTYKWMYTDLRXAJ-ZWKOTPCHSA-N 2 1 361.555 3.199 10 0 FGAEMP CCC[C@H](C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1)[NH+](C)C ZINC000122434054 494974783 /nfs/dbraw/zinc/97/47/83/494974783.db2.gz WEHZSXFZNXODNC-LJQANCHMSA-N 2 1 374.529 3.088 10 0 FGAEMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000120746806 495448777 /nfs/dbraw/zinc/44/87/77/495448777.db2.gz LWKADMSDOURENX-UHFFFAOYSA-N 2 1 353.470 3.244 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185510986 495604668 /nfs/dbraw/zinc/60/46/68/495604668.db2.gz IFHICICRPJPCMY-HPUBIQBYSA-N 2 1 350.469 3.380 10 0 FGAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182766918 495695137 /nfs/dbraw/zinc/69/51/37/495695137.db2.gz BKMYWVHBNZEEBS-QWFCFKBJSA-N 2 1 364.578 3.059 10 0 FGAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182766918 495695140 /nfs/dbraw/zinc/69/51/40/495695140.db2.gz BKMYWVHBNZEEBS-QWFCFKBJSA-N 2 1 364.578 3.059 10 0 FGAEMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182766918 495695145 /nfs/dbraw/zinc/69/51/45/495695145.db2.gz BKMYWVHBNZEEBS-QWFCFKBJSA-N 2 1 364.578 3.059 10 0 FGAEMP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000151110607 495739900 /nfs/dbraw/zinc/73/99/00/495739900.db2.gz FLAJYYPFSLUCMW-UXHICEINSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000151110607 495739908 /nfs/dbraw/zinc/73/99/08/495739908.db2.gz FLAJYYPFSLUCMW-UXHICEINSA-N 2 1 369.509 3.181 10 0 FGAEMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCOCC2 ZINC000186241152 495909189 /nfs/dbraw/zinc/90/91/89/495909189.db2.gz JUSPLYUMGBIJBN-FCHUYYIVSA-N 2 1 372.553 3.257 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000174358946 495926305 /nfs/dbraw/zinc/92/63/05/495926305.db2.gz HHVZNSSOWCGRJR-SFHVURJKSA-N 2 1 363.550 3.301 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c(F)cccc2Br)CC1 ZINC000180477842 496012326 /nfs/dbraw/zinc/01/23/26/496012326.db2.gz PUTNENJAUGLKKU-ZDUSSCGKSA-N 2 1 373.310 3.113 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c(F)cccc2Br)CC1 ZINC000180477842 496012332 /nfs/dbraw/zinc/01/23/32/496012332.db2.gz PUTNENJAUGLKKU-ZDUSSCGKSA-N 2 1 373.310 3.113 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000178293191 496401095 /nfs/dbraw/zinc/40/10/95/496401095.db2.gz MIOSKSIMAPGFSD-TZIWHRDSSA-N 2 1 372.488 3.309 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000178293191 496401099 /nfs/dbraw/zinc/40/10/99/496401099.db2.gz MIOSKSIMAPGFSD-TZIWHRDSSA-N 2 1 372.488 3.309 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000178300740 496404396 /nfs/dbraw/zinc/40/43/96/496404396.db2.gz RKPIMNDZFLBWPQ-DOXZYTNZSA-N 2 1 358.461 3.061 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000178300740 496404399 /nfs/dbraw/zinc/40/43/99/496404399.db2.gz RKPIMNDZFLBWPQ-DOXZYTNZSA-N 2 1 358.461 3.061 10 0 FGAEMP CCN(C(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)[C@H](C)c1ccc(F)cc1 ZINC000247042274 496759880 /nfs/dbraw/zinc/75/98/80/496759880.db2.gz NAOKOVPTBMZIHR-UZLBHIALSA-N 2 1 372.488 3.405 10 0 FGAEMP CCN(C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C)[C@H](C)c1ccc(F)cc1 ZINC000247042274 496759884 /nfs/dbraw/zinc/75/98/84/496759884.db2.gz NAOKOVPTBMZIHR-UZLBHIALSA-N 2 1 372.488 3.405 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(Br)c1 ZINC000247137198 496790485 /nfs/dbraw/zinc/79/04/85/496790485.db2.gz SRBWXPOUCOEWJL-DLBZAZTESA-N 2 1 364.287 3.152 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc(Br)c1 ZINC000247137198 496790493 /nfs/dbraw/zinc/79/04/93/496790493.db2.gz SRBWXPOUCOEWJL-DLBZAZTESA-N 2 1 364.287 3.152 10 0 FGAEMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000247536733 496883280 /nfs/dbraw/zinc/88/32/80/496883280.db2.gz QDSBSUKVRMZEAG-RXVVDRJESA-N 2 1 370.541 3.092 10 0 FGAEMP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000247879196 496924885 /nfs/dbraw/zinc/92/48/85/496924885.db2.gz ZDKUSFDXHCWFKC-NTDBWNAOSA-N 2 1 360.546 3.004 10 0 FGAEMP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000245417662 497396360 /nfs/dbraw/zinc/39/63/60/497396360.db2.gz KFMIECBZRQKNDG-QZTJIDSGSA-N 2 1 366.575 3.257 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000261793730 497451907 /nfs/dbraw/zinc/45/19/07/497451907.db2.gz LDVBXZSDMUHWDI-XLIONFOSSA-N 2 1 350.441 3.390 10 0 FGAEMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(OC(F)F)c1 ZINC000261818687 497456501 /nfs/dbraw/zinc/45/65/01/497456501.db2.gz NHXLYUFMNMJZJO-AEFFLSMTSA-N 2 1 362.420 3.471 10 0 FGAEMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(OC(F)F)c1 ZINC000261818687 497456504 /nfs/dbraw/zinc/45/65/04/497456504.db2.gz NHXLYUFMNMJZJO-AEFFLSMTSA-N 2 1 362.420 3.471 10 0 FGAEMP c1ccc(-c2ccccc2OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262014681 497492850 /nfs/dbraw/zinc/49/28/50/497492850.db2.gz VXNCKHNCEXCWOY-BDTNDASRSA-N 2 1 366.505 3.479 10 0 FGAEMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000190470257 497493250 /nfs/dbraw/zinc/49/32/50/497493250.db2.gz XHSBEZINGXQBAK-QGZVFWFLSA-N 2 1 358.555 3.471 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)COc3c(C)cccc3C)C2)[nH+]1 ZINC000246073021 497612334 /nfs/dbraw/zinc/61/23/34/497612334.db2.gz CBPOZMDQHDXNNZ-VQTJNVASSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)COc3c(C)cccc3C)C2)[nH+]1 ZINC000246073021 497612340 /nfs/dbraw/zinc/61/23/40/497612340.db2.gz CBPOZMDQHDXNNZ-VQTJNVASSA-N 2 1 369.509 3.181 10 0 FGAEMP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246176625 497647984 /nfs/dbraw/zinc/64/79/84/497647984.db2.gz UDDBLSIEXPYEOD-IRXDYDNUSA-N 2 1 368.481 3.241 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000246222201 497666770 /nfs/dbraw/zinc/66/67/70/497666770.db2.gz LNFNNAFOVQMHFT-PBHICJAKSA-N 2 1 374.435 3.166 10 0 FGAEMP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@H]1C ZINC000301812940 498276219 /nfs/dbraw/zinc/27/62/19/498276219.db2.gz YKORLMLDUSTFJA-OLZOCXBDSA-N 2 1 353.388 3.145 10 0 FGAEMP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@H]1C ZINC000301812940 498276224 /nfs/dbraw/zinc/27/62/24/498276224.db2.gz YKORLMLDUSTFJA-OLZOCXBDSA-N 2 1 353.388 3.145 10 0 FGAEMP Cc1[nH+]ccn1-c1cncc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000302087456 498401532 /nfs/dbraw/zinc/40/15/32/498401532.db2.gz ZRQMSVWSOZHRBI-WMZOPIPTSA-N 2 1 354.502 3.062 10 0 FGAEMP Cc1[nH+]ccn1-c1cncc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000302087456 498401537 /nfs/dbraw/zinc/40/15/37/498401537.db2.gz ZRQMSVWSOZHRBI-WMZOPIPTSA-N 2 1 354.502 3.062 10 0 FGAEMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000249115491 713663963 /nfs/dbraw/zinc/66/39/63/713663963.db2.gz YLHWWRTUXNAJCK-FGTMMUONSA-N 2 1 353.551 3.486 10 0 FGAEMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301314934 713781854 /nfs/dbraw/zinc/78/18/54/713781854.db2.gz UNLIDADNXHGFTA-BSDSXHPESA-N 2 1 351.535 3.238 10 0 FGAEMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301314934 713781858 /nfs/dbraw/zinc/78/18/58/713781858.db2.gz UNLIDADNXHGFTA-BSDSXHPESA-N 2 1 351.535 3.238 10 0 FGAEMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000067569992 494570408 /nfs/dbraw/zinc/57/04/08/494570408.db2.gz FGGIQJQDCAQXBV-NRFANRHFSA-N 2 1 372.557 3.213 10 0 FGAEMP COc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1OC(C)C ZINC000121087455 494588758 /nfs/dbraw/zinc/58/87/58/494588758.db2.gz DOFZXTQLUCCUBB-QGZVFWFLSA-N 2 1 364.530 3.007 10 0 FGAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000111816718 495115419 /nfs/dbraw/zinc/11/54/19/495115419.db2.gz JHHURQJFFCBOHY-XSLAUPDRSA-N 2 1 372.557 3.212 10 0 FGAEMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105094124 495336066 /nfs/dbraw/zinc/33/60/66/495336066.db2.gz QNKXJVZFGGHJOE-OAQYLSRUSA-N 2 1 370.541 3.052 10 0 FGAEMP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000173458415 495538849 /nfs/dbraw/zinc/53/88/49/495538849.db2.gz ZPNAOKPIZGJJKY-BQFCYCMXSA-N 2 1 355.486 3.057 10 0 FGAEMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)ccc1OC ZINC000183090688 495830508 /nfs/dbraw/zinc/83/05/08/495830508.db2.gz TUNFTRAHOQFBPL-MAUKXSAKSA-N 2 1 357.502 3.314 10 0 FGAEMP CCC[C@@H](C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)c1ccccc1 ZINC000180090178 495854764 /nfs/dbraw/zinc/85/47/64/495854764.db2.gz LKRJUCXZDPVJNY-GOTSBHOMSA-N 2 1 373.585 3.297 10 0 FGAEMP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000177092975 495922796 /nfs/dbraw/zinc/92/27/96/495922796.db2.gz HIGFYOZAFMANSW-OAHLLOKOSA-N 2 1 357.454 3.266 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N(C)Cc3ccccc3C)C2)[nH+]1 ZINC000171652244 495972237 /nfs/dbraw/zinc/97/22/37/495972237.db2.gz PBJCOXPGUWIYSI-IBGZPJMESA-N 2 1 366.509 3.091 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000177437701 496061286 /nfs/dbraw/zinc/06/12/86/496061286.db2.gz UTXIQAQBYGYRTO-OAQYLSRUSA-N 2 1 372.557 3.024 10 0 FGAEMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171900372 496083618 /nfs/dbraw/zinc/08/36/18/496083618.db2.gz SNUVKBBZLGBYCA-GHTZIAJQSA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900372 496083626 /nfs/dbraw/zinc/08/36/26/496083626.db2.gz SNUVKBBZLGBYCA-GHTZIAJQSA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171900372 496083633 /nfs/dbraw/zinc/08/36/33/496083633.db2.gz SNUVKBBZLGBYCA-GHTZIAJQSA-N 2 1 370.541 3.051 10 0 FGAEMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000157824047 496564035 /nfs/dbraw/zinc/56/40/35/496564035.db2.gz ZTGZRMSTDZBQIA-XLIONFOSSA-N 2 1 360.546 3.055 10 0 FGAEMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000157824047 496564043 /nfs/dbraw/zinc/56/40/43/496564043.db2.gz ZTGZRMSTDZBQIA-XLIONFOSSA-N 2 1 360.546 3.055 10 0 FGAEMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000157824047 496564049 /nfs/dbraw/zinc/56/40/49/496564049.db2.gz ZTGZRMSTDZBQIA-XLIONFOSSA-N 2 1 360.546 3.055 10 0 FGAEMP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246947782 496732529 /nfs/dbraw/zinc/73/25/29/496732529.db2.gz HWXXRKVUGQIWGG-PXNSSMCTSA-N 2 1 354.498 3.093 10 0 FGAEMP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246947782 496732532 /nfs/dbraw/zinc/73/25/32/496732532.db2.gz HWXXRKVUGQIWGG-PXNSSMCTSA-N 2 1 354.498 3.093 10 0 FGAEMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247067911 496769783 /nfs/dbraw/zinc/76/97/83/496769783.db2.gz OLGXCKHRWDEZOA-HKUYNNGSSA-N 2 1 356.470 3.082 10 0 FGAEMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247067911 496769785 /nfs/dbraw/zinc/76/97/85/496769785.db2.gz OLGXCKHRWDEZOA-HKUYNNGSSA-N 2 1 356.470 3.082 10 0 FGAEMP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)c1ccsc1 ZINC000247112320 496783082 /nfs/dbraw/zinc/78/30/82/496783082.db2.gz ITSLNBYPRZLZBT-KBAYOESNSA-N 2 1 364.559 3.009 10 0 FGAEMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000247202905 496804022 /nfs/dbraw/zinc/80/40/22/496804022.db2.gz XHSRQDUSLRXVEZ-FVJLSDCUSA-N 2 1 368.525 3.484 10 0 FGAEMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000247202905 496804028 /nfs/dbraw/zinc/80/40/28/496804028.db2.gz XHSRQDUSLRXVEZ-FVJLSDCUSA-N 2 1 368.525 3.484 10 0 FGAEMP COc1ccccc1CCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195295471 496879436 /nfs/dbraw/zinc/87/94/36/496879436.db2.gz KLDLNCYXVOLPCE-HXUWFJFHSA-N 2 1 353.510 3.477 10 0 FGAEMP COc1ccccc1CCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195295471 496879439 /nfs/dbraw/zinc/87/94/39/496879439.db2.gz KLDLNCYXVOLPCE-HXUWFJFHSA-N 2 1 353.510 3.477 10 0 FGAEMP COc1ccccc1CCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195295471 496879444 /nfs/dbraw/zinc/87/94/44/496879444.db2.gz KLDLNCYXVOLPCE-HXUWFJFHSA-N 2 1 353.510 3.477 10 0 FGAEMP COc1ccccc1CCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195295471 496879447 /nfs/dbraw/zinc/87/94/47/496879447.db2.gz KLDLNCYXVOLPCE-HXUWFJFHSA-N 2 1 353.510 3.477 10 0 FGAEMP CCc1noc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000247539265 496883574 /nfs/dbraw/zinc/88/35/74/496883574.db2.gz CVKPVEXBTPPZIR-QFBILLFUSA-N 2 1 372.513 3.070 10 0 FGAEMP CCc1noc([C@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000247539265 496883575 /nfs/dbraw/zinc/88/35/75/496883575.db2.gz CVKPVEXBTPPZIR-QFBILLFUSA-N 2 1 372.513 3.070 10 0 FGAEMP C[N@@H+](C[C@@H](O)c1ccccc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000247804660 496916552 /nfs/dbraw/zinc/91/65/52/496916552.db2.gz SGDYDZMFJGKGGM-PKTZIBPZSA-N 2 1 368.521 3.097 10 0 FGAEMP C[C@@H](C(=O)N(C)C1CCCCC1)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248651369 497072941 /nfs/dbraw/zinc/07/29/41/497072941.db2.gz MXCUYZXKMDJBFH-ICSRJNTNSA-N 2 1 372.557 3.015 10 0 FGAEMP COc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261615091 497420329 /nfs/dbraw/zinc/42/03/29/497420329.db2.gz CNZYKEWOICWVJM-NQIIRXRSSA-N 2 1 362.477 3.260 10 0 FGAEMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261875736 497466371 /nfs/dbraw/zinc/46/63/71/497466371.db2.gz DQBSUXQACMLYRO-RBSFLKMASA-N 2 1 360.832 3.188 10 0 FGAEMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000261886639 497469313 /nfs/dbraw/zinc/46/93/13/497469313.db2.gz FZKVQKBWPRLIMS-ZLNRFVROSA-N 3 1 371.569 3.165 10 0 FGAEMP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261960108 497484053 /nfs/dbraw/zinc/48/40/53/497484053.db2.gz PLSWIEAHJUYWCZ-ZRBLBEILSA-N 3 1 371.569 3.309 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1c2ccccc2CC[C@H]1C ZINC000246923994 497820455 /nfs/dbraw/zinc/82/04/55/497820455.db2.gz GSGWIKZMINQQHP-APWZRJJASA-N 2 1 352.482 3.024 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1c2ccccc2CC[C@H]1C ZINC000246923994 497820456 /nfs/dbraw/zinc/82/04/56/497820456.db2.gz GSGWIKZMINQQHP-APWZRJJASA-N 2 1 352.482 3.024 10 0 FGAEMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)C[C@H]12 ZINC000119488316 700630609 /nfs/dbraw/zinc/63/06/09/700630609.db2.gz NLLUYCOMMIWIPV-FGTMMUONSA-N 2 1 351.535 3.098 10 0 FGAEMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC[NH+]3CCCCC3)C[C@@H]21 ZINC000119488038 700630698 /nfs/dbraw/zinc/63/06/98/700630698.db2.gz NLLUYCOMMIWIPV-OKZBNKHCSA-N 2 1 351.535 3.098 10 0 FGAEMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188672275 712774648 /nfs/dbraw/zinc/77/46/48/712774648.db2.gz YLHWWRTUXNAJCK-BZSNNMDCSA-N 2 1 353.551 3.486 10 0 FGAEMP C[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110073 493824734 /nfs/dbraw/zinc/82/47/34/493824734.db2.gz OMBAJEUUEHXDOP-DHIUTWEWSA-N 2 1 368.521 3.018 10 0 FGAEMP C[NH+](C[C@@H](O)COCc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110073 493824739 /nfs/dbraw/zinc/82/47/39/493824739.db2.gz OMBAJEUUEHXDOP-DHIUTWEWSA-N 2 1 368.521 3.018 10 0 FGAEMP C[NH+](C[C@@H](O)COCc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110073 493824746 /nfs/dbraw/zinc/82/47/46/493824746.db2.gz OMBAJEUUEHXDOP-DHIUTWEWSA-N 2 1 368.521 3.018 10 0 FGAEMP C[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110072 493824848 /nfs/dbraw/zinc/82/48/48/493824848.db2.gz OMBAJEUUEHXDOP-XZOQPEGZSA-N 2 1 368.521 3.018 10 0 FGAEMP C[NH+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110072 493824849 /nfs/dbraw/zinc/82/48/49/493824849.db2.gz OMBAJEUUEHXDOP-XZOQPEGZSA-N 2 1 368.521 3.018 10 0 FGAEMP C[NH+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110072 493824850 /nfs/dbraw/zinc/82/48/50/493824850.db2.gz OMBAJEUUEHXDOP-XZOQPEGZSA-N 2 1 368.521 3.018 10 0 FGAEMP COCCOc1ccccc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813315 494759307 /nfs/dbraw/zinc/75/93/07/494759307.db2.gz SQPJFOCUCPAVGT-SFHVURJKSA-N 2 1 355.482 3.349 10 0 FGAEMP COCCOc1ccccc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813315 494759311 /nfs/dbraw/zinc/75/93/11/494759311.db2.gz SQPJFOCUCPAVGT-SFHVURJKSA-N 2 1 355.482 3.349 10 0 FGAEMP C[N@@H+](CCc1ccncc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128243 495418573 /nfs/dbraw/zinc/41/85/73/495418573.db2.gz BMTOOKVCZAHMPY-QFIPXVFZSA-N 2 1 353.510 3.002 10 0 FGAEMP CC[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1CCOC ZINC000120951099 495490682 /nfs/dbraw/zinc/49/06/82/495490682.db2.gz ZXEZLYKAUIRNMN-NRFANRHFSA-N 2 1 361.574 3.187 10 0 FGAEMP CC[C@H]1CN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@@H+]1CCOC ZINC000120951099 495490686 /nfs/dbraw/zinc/49/06/86/495490686.db2.gz ZXEZLYKAUIRNMN-NRFANRHFSA-N 2 1 361.574 3.187 10 0 FGAEMP CC[C@H]1CN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1CCOC ZINC000120951099 495490687 /nfs/dbraw/zinc/49/06/87/495490687.db2.gz ZXEZLYKAUIRNMN-NRFANRHFSA-N 2 1 361.574 3.187 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000154546847 495651197 /nfs/dbraw/zinc/65/11/97/495651197.db2.gz IYKMEZZHWKDFEP-RYQLBKOJSA-N 2 1 372.538 3.470 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000154546847 495651200 /nfs/dbraw/zinc/65/12/00/495651200.db2.gz IYKMEZZHWKDFEP-RYQLBKOJSA-N 2 1 372.538 3.470 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000151885156 495981521 /nfs/dbraw/zinc/98/15/21/495981521.db2.gz FFOLXWYZCOPIKG-OALUTQOASA-N 2 1 369.513 3.095 10 0 FGAEMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171905303 496085914 /nfs/dbraw/zinc/08/59/14/496085914.db2.gz CQFYIIFPHDICGN-OAQYLSRUSA-N 2 1 370.541 3.052 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000178320230 496412244 /nfs/dbraw/zinc/41/22/44/496412244.db2.gz FHMBTIYPDXTCPA-KBXCAEBGSA-N 2 1 360.889 3.187 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000178320230 496412250 /nfs/dbraw/zinc/41/22/50/496412250.db2.gz FHMBTIYPDXTCPA-KBXCAEBGSA-N 2 1 360.889 3.187 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000178334682 496416474 /nfs/dbraw/zinc/41/64/74/496416474.db2.gz YEGNHFONEQHIPF-FXAWDEMLSA-N 2 1 354.498 3.011 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000178334682 496416479 /nfs/dbraw/zinc/41/64/79/496416479.db2.gz YEGNHFONEQHIPF-FXAWDEMLSA-N 2 1 354.498 3.011 10 0 FGAEMP COc1cccc(CCC[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195271418 496870522 /nfs/dbraw/zinc/87/05/22/496870522.db2.gz RYTDJYKBAHBXLY-NRFANRHFSA-N 2 1 353.510 3.477 10 0 FGAEMP COc1cccc(CCC[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195271418 496870528 /nfs/dbraw/zinc/87/05/28/496870528.db2.gz RYTDJYKBAHBXLY-NRFANRHFSA-N 2 1 353.510 3.477 10 0 FGAEMP COc1cccc(CCC[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195271418 496870536 /nfs/dbraw/zinc/87/05/36/496870536.db2.gz RYTDJYKBAHBXLY-NRFANRHFSA-N 2 1 353.510 3.477 10 0 FGAEMP COc1cccc(CCC[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195271418 496870539 /nfs/dbraw/zinc/87/05/39/496870539.db2.gz RYTDJYKBAHBXLY-NRFANRHFSA-N 2 1 353.510 3.477 10 0 FGAEMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000247508859 496874882 /nfs/dbraw/zinc/87/48/82/496874882.db2.gz VRGQJYFJWGBXKZ-SIKLNZKXSA-N 2 1 368.521 3.037 10 0 FGAEMP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000248918143 497135259 /nfs/dbraw/zinc/13/52/59/497135259.db2.gz DOKGXRZOAGOYNS-CEWLAPEOSA-N 2 1 360.542 3.461 10 0 FGAEMP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261613480 497419815 /nfs/dbraw/zinc/41/98/15/497419815.db2.gz CFYWHWNLXCZYII-QIJUGHKUSA-N 2 1 365.521 3.016 10 0 FGAEMP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261613480 497419823 /nfs/dbraw/zinc/41/98/23/497419823.db2.gz CFYWHWNLXCZYII-QIJUGHKUSA-N 2 1 365.521 3.016 10 0 FGAEMP C[C@@H]1CCC[C@H](N(Cc2noc(C[NH3+])n2)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000261645338 497426354 /nfs/dbraw/zinc/42/63/54/497426354.db2.gz FXPDJTGZVQMGRB-FMKPAKJESA-N 2 1 372.469 3.084 10 0 FGAEMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261852607 497462963 /nfs/dbraw/zinc/46/29/63/497462963.db2.gz VMFCNIUDFAJZDL-RUOSDFBUSA-N 2 1 365.521 3.235 10 0 FGAEMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261852607 497462969 /nfs/dbraw/zinc/46/29/69/497462969.db2.gz VMFCNIUDFAJZDL-RUOSDFBUSA-N 2 1 365.521 3.235 10 0 FGAEMP Cc1sc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)nc1-c1ccccc1 ZINC000261892833 497469848 /nfs/dbraw/zinc/46/98/48/497469848.db2.gz GRZLWZVYUMZOKJ-GUDVDZBRSA-N 2 1 371.550 3.408 10 0 FGAEMP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261968916 497485225 /nfs/dbraw/zinc/48/52/25/497485225.db2.gz QJNMIOVTLVICBB-ZLNRFVROSA-N 3 1 371.569 3.309 10 0 FGAEMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262005719 497491359 /nfs/dbraw/zinc/49/13/59/497491359.db2.gz VBBAXBMFFGBFQL-YHINDDMVSA-N 2 1 358.526 3.209 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000245900626 497564229 /nfs/dbraw/zinc/56/42/29/497564229.db2.gz ARXBCMZTECBNSY-KABOJTHCSA-N 2 1 370.541 3.129 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000245900626 497564235 /nfs/dbraw/zinc/56/42/35/497564235.db2.gz ARXBCMZTECBNSY-KABOJTHCSA-N 2 1 370.541 3.129 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@H](C)c3ccccc3)C2)[nH+]1 ZINC000246133068 497632114 /nfs/dbraw/zinc/63/21/14/497632114.db2.gz MVCABWWGVQPSHZ-QRVBRYPASA-N 2 1 366.509 3.390 10 0 FGAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000246273737 497679867 /nfs/dbraw/zinc/67/98/67/497679867.db2.gz JCIAKLVHXXZHMZ-NRSPTQNISA-N 2 1 372.557 3.023 10 0 FGAEMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000246273737 497679873 /nfs/dbraw/zinc/67/98/73/497679873.db2.gz JCIAKLVHXXZHMZ-NRSPTQNISA-N 2 1 372.557 3.023 10 0 FGAEMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000246273737 497679876 /nfs/dbraw/zinc/67/98/76/497679876.db2.gz JCIAKLVHXXZHMZ-NRSPTQNISA-N 2 1 372.557 3.023 10 0 FGAEMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000246750842 497808044 /nfs/dbraw/zinc/80/80/44/497808044.db2.gz BJKDJRAXSCWHQQ-XLIONFOSSA-N 2 1 360.546 3.056 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000246869544 497817855 /nfs/dbraw/zinc/81/78/55/497817855.db2.gz CYXOZUBTRMJPGP-BEFAXECRSA-N 2 1 358.461 3.015 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000246869544 497817856 /nfs/dbraw/zinc/81/78/56/497817856.db2.gz CYXOZUBTRMJPGP-BEFAXECRSA-N 2 1 358.461 3.015 10 0 FGAEMP O[C@@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044284 705725748 /nfs/dbraw/zinc/72/57/48/705725748.db2.gz KBTTXDJYZUKDJY-ZWKOTPCHSA-N 2 1 367.331 3.337 10 0 FGAEMP Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)c(C)cc1I ZINC000675075440 721726751 /nfs/dbraw/zinc/72/67/51/721726751.db2.gz PCNHQSCRULGJQM-UHFFFAOYSA-N 2 1 372.294 3.434 10 0 FGAEMP Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)c(C)cc1I ZINC000675075440 721726752 /nfs/dbraw/zinc/72/67/52/721726752.db2.gz PCNHQSCRULGJQM-UHFFFAOYSA-N 2 1 372.294 3.434 10 0 FGAEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(Br)c1 ZINC000121132115 494611041 /nfs/dbraw/zinc/61/10/41/494611041.db2.gz RNCWRMSZELJRDZ-HNNXBMFYSA-N 2 1 369.347 3.282 10 0 FGAEMP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000103473904 495238869 /nfs/dbraw/zinc/23/88/69/495238869.db2.gz MICSQJKYLRLEST-QGZVFWFLSA-N 2 1 368.481 3.161 10 0 FGAEMP COc1ccc(NC(=O)CC[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000103473904 495238871 /nfs/dbraw/zinc/23/88/71/495238871.db2.gz MICSQJKYLRLEST-QGZVFWFLSA-N 2 1 368.481 3.161 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(Cl)c3cccnc23)CC1 ZINC000106124833 495416722 /nfs/dbraw/zinc/41/67/22/495416722.db2.gz MQDXEANWXPKYAG-OAHLLOKOSA-N 2 1 361.917 3.413 10 0 FGAEMP Cc1noc(C)c1C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128033 495418879 /nfs/dbraw/zinc/41/88/79/495418879.db2.gz LUIGJOBFNUVTSO-NRFANRHFSA-N 2 1 357.498 3.169 10 0 FGAEMP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165266 495422140 /nfs/dbraw/zinc/42/21/40/495422140.db2.gz ZDKUSFDXHCWFKC-MTNOOBJLSA-N 2 1 360.546 3.004 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2)C1 ZINC000106216629 495434219 /nfs/dbraw/zinc/43/42/19/495434219.db2.gz PDLFLSJAWYYAPV-HKUYNNGSSA-N 2 1 354.498 3.130 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2)C1 ZINC000106216629 495434224 /nfs/dbraw/zinc/43/42/24/495434224.db2.gz PDLFLSJAWYYAPV-HKUYNNGSSA-N 2 1 354.498 3.130 10 0 FGAEMP Cc1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cs1 ZINC000120712564 495441302 /nfs/dbraw/zinc/44/13/02/495441302.db2.gz LFLOLQZSIPRQLN-HXUWFJFHSA-N 2 1 359.539 3.329 10 0 FGAEMP Cc1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cs1 ZINC000120712564 495441304 /nfs/dbraw/zinc/44/13/04/495441304.db2.gz LFLOLQZSIPRQLN-HXUWFJFHSA-N 2 1 359.539 3.329 10 0 FGAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000154547578 495651105 /nfs/dbraw/zinc/65/11/05/495651105.db2.gz SATUZOKLARRFHZ-RDJZCZTQSA-N 2 1 363.465 3.231 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000154547578 495651108 /nfs/dbraw/zinc/65/11/08/495651108.db2.gz SATUZOKLARRFHZ-RDJZCZTQSA-N 2 1 363.465 3.231 10 0 FGAEMP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(OC(F)F)c1 ZINC000180123275 495867984 /nfs/dbraw/zinc/86/79/84/495867984.db2.gz IMQOOLSQIOWRJW-OAHLLOKOSA-N 2 1 351.397 3.466 10 0 FGAEMP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(OC(F)F)c1 ZINC000180123275 495867986 /nfs/dbraw/zinc/86/79/86/495867986.db2.gz IMQOOLSQIOWRJW-OAHLLOKOSA-N 2 1 351.397 3.466 10 0 FGAEMP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000177364471 496032340 /nfs/dbraw/zinc/03/23/40/496032340.db2.gz KFMIECBZRQKNDG-ROUUACIJSA-N 2 1 366.575 3.257 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000178288221 496399541 /nfs/dbraw/zinc/39/95/41/496399541.db2.gz ULPTXWWCDKKVHZ-QGZVFWFLSA-N 2 1 367.449 3.150 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000178288221 496399546 /nfs/dbraw/zinc/39/95/46/496399546.db2.gz ULPTXWWCDKKVHZ-QGZVFWFLSA-N 2 1 367.449 3.150 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000178287575 496400054 /nfs/dbraw/zinc/40/00/54/496400054.db2.gz SGXYPSGUPQGCTJ-PZJWPPBQSA-N 2 1 354.498 3.169 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000178287575 496400059 /nfs/dbraw/zinc/40/00/59/496400059.db2.gz SGXYPSGUPQGCTJ-PZJWPPBQSA-N 2 1 354.498 3.169 10 0 FGAEMP COc1ccc(C[C@@H](C)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000185247128 496717252 /nfs/dbraw/zinc/71/72/52/496717252.db2.gz NCCQCLQPXXZSDZ-IAGOWNOFSA-N 2 1 366.521 3.038 10 0 FGAEMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248643301 497069166 /nfs/dbraw/zinc/06/91/66/497069166.db2.gz ZWZPZEBSUJWSIT-BZSNNMDCSA-N 2 1 362.518 3.207 10 0 FGAEMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248643301 497069172 /nfs/dbraw/zinc/06/91/72/497069172.db2.gz ZWZPZEBSUJWSIT-BZSNNMDCSA-N 2 1 362.518 3.207 10 0 FGAEMP C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000261691731 497434667 /nfs/dbraw/zinc/43/46/67/497434667.db2.gz JBJJVMHQJACBAZ-ZEVBXJOLSA-N 2 1 369.484 3.066 10 0 FGAEMP C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000261691731 497434670 /nfs/dbraw/zinc/43/46/70/497434670.db2.gz JBJJVMHQJACBAZ-ZEVBXJOLSA-N 2 1 369.484 3.066 10 0 FGAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000261914332 497475298 /nfs/dbraw/zinc/47/52/98/497475298.db2.gz JKSBVGMKLGZEMN-ZACQAIPSSA-N 2 1 372.431 3.183 10 0 FGAEMP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261970347 497485138 /nfs/dbraw/zinc/48/51/38/497485138.db2.gz QMSFYCBYYLUDST-JQHSSLGASA-N 2 1 367.331 3.313 10 0 FGAEMP Cc1ccc([C@H](C)NC(=O)CN2CC[C@@H](CNc3ccccn3)C2)cc1C ZINC000246084080 497616301 /nfs/dbraw/zinc/61/63/01/497616301.db2.gz DZIDKXWLCJDMHJ-OALUTQOASA-N 2 1 366.509 3.310 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000246842230 497815584 /nfs/dbraw/zinc/81/55/84/497815584.db2.gz VGGNJMLXQLMXCG-SJORKVTESA-N 2 1 367.415 3.278 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000246842230 497815585 /nfs/dbraw/zinc/81/55/85/497815585.db2.gz VGGNJMLXQLMXCG-SJORKVTESA-N 2 1 367.415 3.278 10 0 FGAEMP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cnn3ccccc13)CC2 ZINC000275891090 523604429 /nfs/dbraw/zinc/60/44/29/523604429.db2.gz ZNLFAPIDBLARFT-SFHVURJKSA-N 2 1 367.522 3.277 10 0 FGAEMP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cnn3ccccc13)CC2 ZINC000275891090 523604437 /nfs/dbraw/zinc/60/44/37/523604437.db2.gz ZNLFAPIDBLARFT-SFHVURJKSA-N 2 1 367.522 3.277 10 0 FGAEMP CC(C)[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000236692565 713582356 /nfs/dbraw/zinc/58/23/56/713582356.db2.gz ABKZMSRWOZZTPR-ZWKOTPCHSA-N 2 1 353.551 3.344 10 0 FGAEMP CC[NH+](CC)CCC[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000013734390 220090328 /nfs/dbraw/zinc/09/03/28/220090328.db2.gz CSCFBWZMHNGEBB-UHFFFAOYSA-N 2 1 359.308 3.288 10 0 FGAEMP COc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000038019204 220847187 /nfs/dbraw/zinc/84/71/87/220847187.db2.gz FARLPMOFVKCJGM-GOOCMWNKSA-N 2 1 353.304 3.420 10 0 FGAEMP COc1cc(OC)c(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(OC)c1 ZINC000092813294 494758341 /nfs/dbraw/zinc/75/83/41/494758341.db2.gz LXQPBCMKQVEYLR-MRXNPFEDSA-N 2 1 371.481 3.350 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000109678447 494905886 /nfs/dbraw/zinc/90/58/86/494905886.db2.gz XSNQVVUHAXCORT-VQTJNVASSA-N 2 1 366.509 3.274 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000109678447 494905890 /nfs/dbraw/zinc/90/58/90/494905890.db2.gz XSNQVVUHAXCORT-VQTJNVASSA-N 2 1 366.509 3.274 10 0 FGAEMP CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000135210865 495262642 /nfs/dbraw/zinc/26/26/42/495262642.db2.gz YDHHDPQJBKOOJK-BMGDILEWSA-N 2 1 369.912 3.318 10 0 FGAEMP CC(C)n1ccnc1C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127114 495416873 /nfs/dbraw/zinc/41/68/73/495416873.db2.gz IMYAXOSXGCNMGP-NRFANRHFSA-N 2 1 370.541 3.341 10 0 FGAEMP CC(C)n1ccnc1C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127114 495416875 /nfs/dbraw/zinc/41/68/75/495416875.db2.gz IMYAXOSXGCNMGP-NRFANRHFSA-N 2 1 370.541 3.341 10 0 FGAEMP C[NH+](C)[C@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000170863778 495631598 /nfs/dbraw/zinc/63/15/98/495631598.db2.gz QILBZUISHVKWTA-NRFANRHFSA-N 2 1 351.494 3.095 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)cc(Br)c2)CC1 ZINC000177710419 496168519 /nfs/dbraw/zinc/16/85/19/496168519.db2.gz CJMYZXZGNZZPKH-ZDUSSCGKSA-N 2 1 373.310 3.113 10 0 FGAEMP CCCC[NH+]1CCC(NC(=O)N2CCC[C@H](n3cc[nH+]c3CC)C2)CC1 ZINC000152674956 496222855 /nfs/dbraw/zinc/22/28/55/496222855.db2.gz ALUXRKUZFUAPTP-SFHVURJKSA-N 2 1 361.534 3.057 10 0 FGAEMP CCC[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000178306477 496406691 /nfs/dbraw/zinc/40/66/91/496406691.db2.gz QYKJCAKXLGLLTE-UXHICEINSA-N 2 1 354.498 3.314 10 0 FGAEMP CCC[C@H](NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000178306477 496406694 /nfs/dbraw/zinc/40/66/94/496406694.db2.gz QYKJCAKXLGLLTE-UXHICEINSA-N 2 1 354.498 3.314 10 0 FGAEMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178315599 496410569 /nfs/dbraw/zinc/41/05/69/496410569.db2.gz OLGXCKHRWDEZOA-MJGOQNOKSA-N 2 1 356.470 3.082 10 0 FGAEMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178315599 496410575 /nfs/dbraw/zinc/41/05/75/496410575.db2.gz OLGXCKHRWDEZOA-MJGOQNOKSA-N 2 1 356.470 3.082 10 0 FGAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCOCc2ccccc2)C1 ZINC000195269419 496869056 /nfs/dbraw/zinc/86/90/56/496869056.db2.gz WWJROKJMERIAOW-QFIPXVFZSA-N 2 1 353.510 3.442 10 0 FGAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCOCc2ccccc2)C1 ZINC000195269419 496869058 /nfs/dbraw/zinc/86/90/58/496869058.db2.gz WWJROKJMERIAOW-QFIPXVFZSA-N 2 1 353.510 3.442 10 0 FGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCOCc2ccccc2)C1 ZINC000195269419 496869062 /nfs/dbraw/zinc/86/90/62/496869062.db2.gz WWJROKJMERIAOW-QFIPXVFZSA-N 2 1 353.510 3.442 10 0 FGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000195269419 496869066 /nfs/dbraw/zinc/86/90/66/496869066.db2.gz WWJROKJMERIAOW-QFIPXVFZSA-N 2 1 353.510 3.442 10 0 FGAEMP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261614635 497419521 /nfs/dbraw/zinc/41/95/21/497419521.db2.gz CHXCRHQXHSCAPU-BLIXFSHQSA-N 2 1 367.493 3.087 10 0 FGAEMP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261614635 497419528 /nfs/dbraw/zinc/41/95/28/497419528.db2.gz CHXCRHQXHSCAPU-BLIXFSHQSA-N 2 1 367.493 3.087 10 0 FGAEMP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261661121 497428705 /nfs/dbraw/zinc/42/87/05/497428705.db2.gz GXKPJASAUKUQNB-WBVHZDCISA-N 2 1 354.885 3.401 10 0 FGAEMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261661121 497428707 /nfs/dbraw/zinc/42/87/07/497428707.db2.gz GXKPJASAUKUQNB-WBVHZDCISA-N 2 1 354.885 3.401 10 0 FGAEMP CCOc1ccc(C(C)=O)cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261757648 497446262 /nfs/dbraw/zinc/44/62/62/497446262.db2.gz NVUBOWPRDCBMLF-RTWAWAEBSA-N 2 1 352.478 3.462 10 0 FGAEMP CCOc1ccc(C(C)=O)cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261757648 497446266 /nfs/dbraw/zinc/44/62/66/497446266.db2.gz NVUBOWPRDCBMLF-RTWAWAEBSA-N 2 1 352.478 3.462 10 0 FGAEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C1 ZINC000261928222 497477512 /nfs/dbraw/zinc/47/75/12/497477512.db2.gz LKIZEVFTPHSIIV-RLLPEYFOSA-N 2 1 371.569 3.165 10 0 FGAEMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261928222 497477516 /nfs/dbraw/zinc/47/75/16/497477516.db2.gz LKIZEVFTPHSIIV-RLLPEYFOSA-N 3 1 371.569 3.165 10 0 FGAEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261928222 497477520 /nfs/dbraw/zinc/47/75/20/497477520.db2.gz LKIZEVFTPHSIIV-RLLPEYFOSA-N 3 1 371.569 3.165 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261983022 497487718 /nfs/dbraw/zinc/48/77/18/497487718.db2.gz RWPAWVZLZOKREN-MSYGRNIXSA-N 2 1 371.569 3.308 10 0 FGAEMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261983022 497487724 /nfs/dbraw/zinc/48/77/24/497487724.db2.gz RWPAWVZLZOKREN-MSYGRNIXSA-N 3 1 371.569 3.308 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261983022 497487728 /nfs/dbraw/zinc/48/77/28/497487728.db2.gz RWPAWVZLZOKREN-MSYGRNIXSA-N 3 1 371.569 3.308 10 0 FGAEMP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)c1 ZINC000261991412 497488642 /nfs/dbraw/zinc/48/86/42/497488642.db2.gz STUOCYMZBPBUPP-RCCFBDPRSA-N 2 1 368.443 3.484 10 0 FGAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000190479912 497497059 /nfs/dbraw/zinc/49/70/59/497497059.db2.gz SGCANFUZOYEJFE-FQEVSTJZSA-N 2 1 361.493 3.221 10 0 FGAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000190479912 497497061 /nfs/dbraw/zinc/49/70/61/497497061.db2.gz SGCANFUZOYEJFE-FQEVSTJZSA-N 2 1 361.493 3.221 10 0 FGAEMP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262194081 497522161 /nfs/dbraw/zinc/52/21/61/497522161.db2.gz JXSKYTRUGJEUEI-OVQGTLEDSA-N 2 1 363.505 3.027 10 0 FGAEMP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262194081 497522164 /nfs/dbraw/zinc/52/21/64/497522164.db2.gz JXSKYTRUGJEUEI-OVQGTLEDSA-N 2 1 363.505 3.027 10 0 FGAEMP COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245900868 497564754 /nfs/dbraw/zinc/56/47/54/497564754.db2.gz AWGOAFAQWGHZTP-RDJZCZTQSA-N 2 1 356.470 3.000 10 0 FGAEMP COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245900868 497564755 /nfs/dbraw/zinc/56/47/55/497564755.db2.gz AWGOAFAQWGHZTP-RDJZCZTQSA-N 2 1 356.470 3.000 10 0 FGAEMP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000246194426 497655216 /nfs/dbraw/zinc/65/52/16/497655216.db2.gz WTMBMMQBSNGPME-ICSRJNTNSA-N 2 1 366.509 3.137 10 0 FGAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000246412333 497725550 /nfs/dbraw/zinc/72/55/50/497725550.db2.gz SCAJDOYMKFNLKT-SFTDATJTSA-N 2 1 370.541 3.051 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000246478966 497747732 /nfs/dbraw/zinc/74/77/32/497747732.db2.gz ACIZXKQQSRDJDO-ROUUACIJSA-N 2 1 358.873 3.115 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000246478966 497747735 /nfs/dbraw/zinc/74/77/35/497747735.db2.gz ACIZXKQQSRDJDO-ROUUACIJSA-N 2 1 358.873 3.115 10 0 FGAEMP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)C1 ZINC000246574889 497779376 /nfs/dbraw/zinc/77/93/76/497779376.db2.gz VGTOCWGRHUNTHO-UHOSZYNNSA-N 2 1 369.534 3.091 10 0 FGAEMP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)C1 ZINC000246574889 497779380 /nfs/dbraw/zinc/77/93/80/497779380.db2.gz VGTOCWGRHUNTHO-UHOSZYNNSA-N 2 1 369.534 3.091 10 0 FGAEMP COc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@@H]3Cn3ccnc3C)n2)cc1 ZINC000246739613 497806555 /nfs/dbraw/zinc/80/65/55/497806555.db2.gz PCCZECKNMGXOQS-RHSMWYFYSA-N 2 1 367.453 3.476 10 0 FGAEMP COc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000246739613 497806561 /nfs/dbraw/zinc/80/65/61/497806561.db2.gz PCCZECKNMGXOQS-RHSMWYFYSA-N 2 1 367.453 3.476 10 0 FGAEMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000379659835 499542895 /nfs/dbraw/zinc/54/28/95/499542895.db2.gz BFOLJIDETOGCBU-IRLDBZIGSA-N 2 1 363.505 3.044 10 0 FGAEMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000048745040 257344067 /nfs/dbraw/zinc/34/40/67/257344067.db2.gz OLMVYWBMRCQDCW-GOSISDBHSA-N 2 1 361.493 3.366 10 0 FGAEMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000081020833 493815050 /nfs/dbraw/zinc/81/50/50/493815050.db2.gz GPAZEEIKWDHRKW-NRFANRHFSA-N 2 1 357.542 3.278 10 0 FGAEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1Br ZINC000121119887 494604093 /nfs/dbraw/zinc/60/40/93/494604093.db2.gz ZQTKAUGFYBWUMA-OAHLLOKOSA-N 2 1 369.347 3.282 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000121154745 494621272 /nfs/dbraw/zinc/62/12/72/494621272.db2.gz NNQHPSNKTPEXEM-ZDUSSCGKSA-N 2 1 362.411 3.369 10 0 FGAEMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128578468 495118253 /nfs/dbraw/zinc/11/82/53/495118253.db2.gz HGZATUBPZUKRIR-HXUWFJFHSA-N 2 1 355.530 3.148 10 0 FGAEMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128578468 495118255 /nfs/dbraw/zinc/11/82/55/495118255.db2.gz HGZATUBPZUKRIR-HXUWFJFHSA-N 2 1 355.530 3.148 10 0 FGAEMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128578468 495118259 /nfs/dbraw/zinc/11/82/59/495118259.db2.gz HGZATUBPZUKRIR-HXUWFJFHSA-N 2 1 355.530 3.148 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Br)ccc2F)CC1 ZINC000106124549 495416791 /nfs/dbraw/zinc/41/67/91/495416791.db2.gz DRBZEUZKGPDCMX-ZDUSSCGKSA-N 2 1 373.310 3.113 10 0 FGAEMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000130778212 495444343 /nfs/dbraw/zinc/44/43/43/495444343.db2.gz DWLBGKXUDWSVKK-OAQYLSRUSA-N 2 1 368.525 3.240 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)cc3cccnc32)CC1 ZINC000170941871 495660982 /nfs/dbraw/zinc/66/09/82/495660982.db2.gz SSVYDUPOAQAZJB-OAHLLOKOSA-N 2 1 361.917 3.413 10 0 FGAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000173781499 495689895 /nfs/dbraw/zinc/68/98/95/495689895.db2.gz MVPOWVPUEJVGHN-NHCUHLMSSA-N 2 1 370.541 3.051 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)C2)[nH+]1 ZINC000151117419 495743484 /nfs/dbraw/zinc/74/34/84/495743484.db2.gz HCRLTNMBHIMQJL-RDGPPVDQSA-N 2 1 358.530 3.302 10 0 FGAEMP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C12CCOCC2 ZINC000186274803 495923225 /nfs/dbraw/zinc/92/32/25/495923225.db2.gz NAOJEHZUMNPOJT-PMACEKPBSA-N 2 1 373.472 3.384 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000174358929 495926941 /nfs/dbraw/zinc/92/69/41/495926941.db2.gz HHVZNSSOWCGRJR-GOSISDBHSA-N 2 1 363.550 3.301 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)COc3c(C)cccc3C)C2)[nH+]1 ZINC000171650478 495967644 /nfs/dbraw/zinc/96/76/44/495967644.db2.gz CBPOZMDQHDXNNZ-WOJBJXKFSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)COc3c(C)cccc3C)C2)[nH+]1 ZINC000171650478 495967651 /nfs/dbraw/zinc/96/76/51/495967651.db2.gz CBPOZMDQHDXNNZ-WOJBJXKFSA-N 2 1 369.509 3.181 10 0 FGAEMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177387495 496041686 /nfs/dbraw/zinc/04/16/86/496041686.db2.gz YASQIVHDJLJIPS-HXUWFJFHSA-N 2 1 369.513 3.098 10 0 FGAEMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171890303 496077361 /nfs/dbraw/zinc/07/73/61/496077361.db2.gz NWTCIPKXBHOMRP-LJQANCHMSA-N 2 1 367.497 3.367 10 0 FGAEMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000171890303 496077364 /nfs/dbraw/zinc/07/73/64/496077364.db2.gz NWTCIPKXBHOMRP-LJQANCHMSA-N 2 1 367.497 3.367 10 0 FGAEMP CCC[C@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+](C)C ZINC000162273966 496326889 /nfs/dbraw/zinc/32/68/89/496326889.db2.gz DNVCBFJBBIDEOY-HXUWFJFHSA-N 2 1 357.498 3.258 10 0 FGAEMP CCC[C@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+](C)C ZINC000162273966 496326891 /nfs/dbraw/zinc/32/68/91/496326891.db2.gz DNVCBFJBBIDEOY-HXUWFJFHSA-N 2 1 357.498 3.258 10 0 FGAEMP CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000178306498 496407098 /nfs/dbraw/zinc/40/70/98/496407098.db2.gz QYKJCAKXLGLLTE-WOJBJXKFSA-N 2 1 354.498 3.314 10 0 FGAEMP CCC[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000178306498 496407102 /nfs/dbraw/zinc/40/71/02/496407102.db2.gz QYKJCAKXLGLLTE-WOJBJXKFSA-N 2 1 354.498 3.314 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000178327927 496415026 /nfs/dbraw/zinc/41/50/26/496415026.db2.gz SVAGTLKWCNRXDG-QFBILLFUSA-N 2 1 352.482 3.024 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000178327927 496415030 /nfs/dbraw/zinc/41/50/30/496415030.db2.gz SVAGTLKWCNRXDG-QFBILLFUSA-N 2 1 352.482 3.024 10 0 FGAEMP Cc1c(-c2cc(C[N@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)on2)cnn1C ZINC000184567103 496443800 /nfs/dbraw/zinc/44/38/00/496443800.db2.gz BSFIARFKLSDHMG-MRXNPFEDSA-N 2 1 366.469 3.021 10 0 FGAEMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000157523424 496495228 /nfs/dbraw/zinc/49/52/28/496495228.db2.gz CSFSWJGLULPJNC-PXNSSMCTSA-N 2 1 360.546 3.056 10 0 FGAEMP Cc1c(Br)cccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179210788 496713493 /nfs/dbraw/zinc/71/34/93/496713493.db2.gz BBXUSKIONKWPAQ-CQSZACIVSA-N 2 1 369.347 3.282 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000247107745 496781067 /nfs/dbraw/zinc/78/10/67/496781067.db2.gz QUWYUHJVBQSDCD-NQIIRXRSSA-N 2 1 368.525 3.482 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000247107745 496781072 /nfs/dbraw/zinc/78/10/72/496781072.db2.gz QUWYUHJVBQSDCD-NQIIRXRSSA-N 2 1 368.525 3.482 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000247160470 496795749 /nfs/dbraw/zinc/79/57/49/496795749.db2.gz UTFBFJKGHQBTGH-RTWAWAEBSA-N 2 1 368.525 3.212 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000247160470 496795756 /nfs/dbraw/zinc/79/57/56/496795756.db2.gz UTFBFJKGHQBTGH-RTWAWAEBSA-N 2 1 368.525 3.212 10 0 FGAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248663621 497076104 /nfs/dbraw/zinc/07/61/04/497076104.db2.gz ZWISGALTMWNFSH-BHDDXSALSA-N 2 1 360.542 3.151 10 0 FGAEMP CCCCOC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248663621 497076110 /nfs/dbraw/zinc/07/61/10/497076110.db2.gz ZWISGALTMWNFSH-BHDDXSALSA-N 2 1 360.542 3.151 10 0 FGAEMP CCCCOC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248663621 497076112 /nfs/dbraw/zinc/07/61/12/497076112.db2.gz ZWISGALTMWNFSH-BHDDXSALSA-N 2 1 360.542 3.151 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCOCC(F)(F)C(F)(F)F)C2)[nH+]1 ZINC000189367628 497097300 /nfs/dbraw/zinc/09/73/00/497097300.db2.gz JYLIGBPFEONRFW-CYBMUJFWSA-N 2 1 367.362 3.338 10 0 FGAEMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C12CCOCC2 ZINC000249054498 497155695 /nfs/dbraw/zinc/15/56/95/497155695.db2.gz XJWOIIRLVHRXER-LCLWPZTBSA-N 2 1 350.547 3.203 10 0 FGAEMP CCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000236960660 497173319 /nfs/dbraw/zinc/17/33/19/497173319.db2.gz OTTLWMAKTZPREB-MSOLQXFVSA-N 2 1 357.523 3.091 10 0 FGAEMP CCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000236960660 497173323 /nfs/dbraw/zinc/17/33/23/497173323.db2.gz OTTLWMAKTZPREB-MSOLQXFVSA-N 2 1 357.523 3.091 10 0 FGAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000237687178 497276244 /nfs/dbraw/zinc/27/62/44/497276244.db2.gz RFXINGDZPXNHBD-HRQSHJORSA-N 2 1 357.542 3.298 10 0 FGAEMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000252480536 497302104 /nfs/dbraw/zinc/30/21/04/497302104.db2.gz BDIYKDAMLXSIHD-RBUKOAKNSA-N 2 1 354.922 3.024 10 0 FGAEMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000252480536 497302107 /nfs/dbraw/zinc/30/21/07/497302107.db2.gz BDIYKDAMLXSIHD-RBUKOAKNSA-N 2 1 354.922 3.024 10 0 FGAEMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000252480536 497302110 /nfs/dbraw/zinc/30/21/10/497302110.db2.gz BDIYKDAMLXSIHD-RBUKOAKNSA-N 2 1 354.922 3.024 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000245476857 497424250 /nfs/dbraw/zinc/42/42/50/497424250.db2.gz TYKDTKVHDYRGQX-DLBZAZTESA-N 2 1 364.559 3.011 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@H]1c1ccccc1 ZINC000261669606 497429591 /nfs/dbraw/zinc/42/95/91/497429591.db2.gz IZLPBFVNADWEJM-APWZRJJASA-N 2 1 350.441 3.390 10 0 FGAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000261927062 497477077 /nfs/dbraw/zinc/47/70/77/497477077.db2.gz VVFDVNNDGAZNBT-LPSOWXHGSA-N 2 1 373.516 3.202 10 0 FGAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000261927062 497477080 /nfs/dbraw/zinc/47/70/80/497477080.db2.gz VVFDVNNDGAZNBT-LPSOWXHGSA-N 2 1 373.516 3.202 10 0 FGAEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000190457500 497485600 /nfs/dbraw/zinc/48/56/00/497485600.db2.gz IZYOANNCHMBAJM-INIZCTEOSA-N 2 1 373.522 3.177 10 0 FGAEMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000190457500 497485603 /nfs/dbraw/zinc/48/56/03/497485603.db2.gz IZYOANNCHMBAJM-INIZCTEOSA-N 2 1 373.522 3.177 10 0 FGAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)cc2)C1 ZINC000262046047 497498994 /nfs/dbraw/zinc/49/89/94/497498994.db2.gz ZBIFZEOTLJMQRS-RLLPEYFOSA-N 2 1 371.569 3.165 10 0 FGAEMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cc2)C1 ZINC000262046047 497498998 /nfs/dbraw/zinc/49/89/98/497498998.db2.gz ZBIFZEOTLJMQRS-RLLPEYFOSA-N 3 1 371.569 3.165 10 0 FGAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cc2)C1 ZINC000262046047 497499002 /nfs/dbraw/zinc/49/90/02/497499002.db2.gz ZBIFZEOTLJMQRS-RLLPEYFOSA-N 3 1 371.569 3.165 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000246133061 497632665 /nfs/dbraw/zinc/63/26/65/497632665.db2.gz MVCABWWGVQPSHZ-OTWHNJEPSA-N 2 1 366.509 3.390 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)C2)[nH+]1 ZINC000246166253 497644474 /nfs/dbraw/zinc/64/44/74/497644474.db2.gz RSFWIVBUKLZJAK-JFRXWTBNSA-N 2 1 358.530 3.017 10 0 FGAEMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246192536 497655671 /nfs/dbraw/zinc/65/56/71/497655671.db2.gz WPWXVAPVUNJWGP-GJZGRUSLSA-N 2 1 358.873 3.496 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246353282 497704855 /nfs/dbraw/zinc/70/48/55/497704855.db2.gz JZDJUKODEUQHMI-FCEUIQTBSA-N 2 1 371.569 3.272 10 0 FGAEMP COc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@H]3Cn3ccnc3C)n2)cc1 ZINC000246739599 497806383 /nfs/dbraw/zinc/80/63/83/497806383.db2.gz PCCZECKNMGXOQS-PBHICJAKSA-N 2 1 367.453 3.476 10 0 FGAEMP COc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000246739599 497806386 /nfs/dbraw/zinc/80/63/86/497806386.db2.gz PCCZECKNMGXOQS-PBHICJAKSA-N 2 1 367.453 3.476 10 0 FGAEMP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@@H]1C ZINC000301812941 498276289 /nfs/dbraw/zinc/27/62/89/498276289.db2.gz YKORLMLDUSTFJA-STQMWFEESA-N 2 1 353.388 3.145 10 0 FGAEMP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@@H]1C ZINC000301812941 498276292 /nfs/dbraw/zinc/27/62/92/498276292.db2.gz YKORLMLDUSTFJA-STQMWFEESA-N 2 1 353.388 3.145 10 0 FGAEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000090773300 700407356 /nfs/dbraw/zinc/40/73/56/700407356.db2.gz XRASGHVDSOOARP-HUUCEWRRSA-N 2 1 352.910 3.162 10 0 FGAEMP OC[C@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000169782442 705351714 /nfs/dbraw/zinc/35/17/14/705351714.db2.gz KVPGYLRFSBRUSA-MRXNPFEDSA-N 2 1 350.453 3.024 10 0 FGAEMP OC[C@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000169782442 705351717 /nfs/dbraw/zinc/35/17/17/705351717.db2.gz KVPGYLRFSBRUSA-MRXNPFEDSA-N 2 1 350.453 3.024 10 0 FGAEMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000073166341 494331832 /nfs/dbraw/zinc/33/18/32/494331832.db2.gz NIFHWLRAKNFCPP-FCEUIQTBSA-N 2 1 360.542 3.151 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000073166341 494331836 /nfs/dbraw/zinc/33/18/36/494331836.db2.gz NIFHWLRAKNFCPP-FCEUIQTBSA-N 2 1 360.542 3.151 10 0 FGAEMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000073166341 494331841 /nfs/dbraw/zinc/33/18/41/494331841.db2.gz NIFHWLRAKNFCPP-FCEUIQTBSA-N 2 1 360.542 3.151 10 0 FGAEMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000073166341 494331846 /nfs/dbraw/zinc/33/18/46/494331846.db2.gz NIFHWLRAKNFCPP-FCEUIQTBSA-N 2 1 360.542 3.151 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)NCC3CCCCC3)C2)[nH+]1 ZINC000109004721 494820013 /nfs/dbraw/zinc/82/00/13/494820013.db2.gz HEJRCOXDJPQFNM-LJQANCHMSA-N 2 1 358.530 3.210 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)NCC3CCCCC3)C2)[nH+]1 ZINC000109004721 494820016 /nfs/dbraw/zinc/82/00/16/494820016.db2.gz HEJRCOXDJPQFNM-LJQANCHMSA-N 2 1 358.530 3.210 10 0 FGAEMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132208780 494839332 /nfs/dbraw/zinc/83/93/32/494839332.db2.gz XTVICZXYCHVIMW-PXNSSMCTSA-N 2 1 360.546 3.008 10 0 FGAEMP CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000135210908 495262686 /nfs/dbraw/zinc/26/26/86/495262686.db2.gz YDHHDPQJBKOOJK-ZTFGCOKTSA-N 2 1 369.912 3.318 10 0 FGAEMP Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000124373279 495276832 /nfs/dbraw/zinc/27/68/32/495276832.db2.gz PDLOXAKQKQVMFJ-FTRWYGJKSA-N 2 1 369.513 3.270 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000124373279 495276836 /nfs/dbraw/zinc/27/68/36/495276836.db2.gz PDLOXAKQKQVMFJ-FTRWYGJKSA-N 2 1 369.513 3.270 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000124373279 495276840 /nfs/dbraw/zinc/27/68/40/495276840.db2.gz PDLOXAKQKQVMFJ-FTRWYGJKSA-N 2 1 369.513 3.270 10 0 FGAEMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000113513778 495307956 /nfs/dbraw/zinc/30/79/56/495307956.db2.gz VRGQJYFJWGBXKZ-UGKGYDQZSA-N 2 1 368.521 3.037 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000106124351 495416922 /nfs/dbraw/zinc/41/69/22/495416922.db2.gz VEPUWFVGAZECOA-OAHLLOKOSA-N 2 1 374.447 3.152 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000106216102 495434572 /nfs/dbraw/zinc/43/45/72/495434572.db2.gz PWJHKQULGNRXPQ-LPHOPBHVSA-N 2 1 372.488 3.269 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000106216102 495434575 /nfs/dbraw/zinc/43/45/75/495434575.db2.gz PWJHKQULGNRXPQ-LPHOPBHVSA-N 2 1 372.488 3.269 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000130856603 495456112 /nfs/dbraw/zinc/45/61/12/495456112.db2.gz VZXAKSYTERRUKB-GOSISDBHSA-N 2 1 355.486 3.376 10 0 FGAEMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000177114333 495930894 /nfs/dbraw/zinc/93/08/94/495930894.db2.gz FTFWQCFJAUBSCS-ROUUACIJSA-N 2 1 374.529 3.108 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc(F)cc4c3OCOC4)C2)[nH+]1 ZINC000171650857 495970441 /nfs/dbraw/zinc/97/04/41/495970441.db2.gz ONGBHRPJVJXEBK-OAHLLOKOSA-N 2 1 357.429 3.330 10 0 FGAEMP CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3C)cc1)CC2 ZINC000180617924 496071010 /nfs/dbraw/zinc/07/10/10/496071010.db2.gz LLMBNLJPKNYQDP-YOEHRIQHSA-N 2 1 350.470 3.000 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)[nH+]1 ZINC000186928515 496215410 /nfs/dbraw/zinc/21/54/10/496215410.db2.gz FPYFOWMUUZVXHY-SFHVURJKSA-N 2 1 364.493 3.233 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)[nH+]1 ZINC000186928515 496215412 /nfs/dbraw/zinc/21/54/12/496215412.db2.gz FPYFOWMUUZVXHY-SFHVURJKSA-N 2 1 364.493 3.233 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000153261458 496401580 /nfs/dbraw/zinc/40/15/80/496401580.db2.gz VYIBPCNOFZMXCP-IAGOWNOFSA-N 2 1 363.550 3.158 10 0 FGAEMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)CC(C)C ZINC000175700566 496506337 /nfs/dbraw/zinc/50/63/37/496506337.db2.gz GKROMFBDKUCYGE-RBUKOAKNSA-N 2 1 363.550 3.122 10 0 FGAEMP Cn1cc([C@H]2CCC[N@H+]2CCCCC[NH+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000157886478 496577358 /nfs/dbraw/zinc/57/73/58/496577358.db2.gz DNDISMONCAOLDF-OYRHEFFESA-N 2 1 370.545 3.298 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1c1ccccc1 ZINC000261614613 497419743 /nfs/dbraw/zinc/41/97/43/497419743.db2.gz CHNICSJXTZKSAQ-LSTHTHJFSA-N 2 1 369.896 3.120 10 0 FGAEMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C[C@H]1c1ccccc1 ZINC000261614613 497419748 /nfs/dbraw/zinc/41/97/48/497419748.db2.gz CHNICSJXTZKSAQ-LSTHTHJFSA-N 2 1 369.896 3.120 10 0 FGAEMP CCN(C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261638173 497424911 /nfs/dbraw/zinc/42/49/11/497424911.db2.gz FJNYLWVFMFJZPH-DSKINZAPSA-N 2 1 351.494 3.102 10 0 FGAEMP CCN(C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261638173 497424914 /nfs/dbraw/zinc/42/49/14/497424914.db2.gz FJNYLWVFMFJZPH-DSKINZAPSA-N 2 1 351.494 3.102 10 0 FGAEMP c1sc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)nc1C1CCCCC1 ZINC000261905887 497472817 /nfs/dbraw/zinc/47/28/17/497472817.db2.gz IGJLIXRJGKHQRD-KURKYZTESA-N 2 1 363.571 3.480 10 0 FGAEMP FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261924764 497477657 /nfs/dbraw/zinc/47/76/57/497477657.db2.gz KXUSNUMKYQUHPW-OKYOBFRVSA-N 2 1 366.452 3.412 10 0 FGAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000262028111 497495143 /nfs/dbraw/zinc/49/51/43/497495143.db2.gz WWCQHMCGQXQCRH-VBNZEHGJSA-N 2 1 350.388 3.265 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000245900636 497564021 /nfs/dbraw/zinc/56/40/21/497564021.db2.gz ARXBCMZTECBNSY-NXYZCINDSA-N 2 1 370.541 3.129 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000245900636 497564026 /nfs/dbraw/zinc/56/40/26/497564026.db2.gz ARXBCMZTECBNSY-NXYZCINDSA-N 2 1 370.541 3.129 10 0 FGAEMP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246071128 497611063 /nfs/dbraw/zinc/61/10/63/497611063.db2.gz BVUNCVKKXRAHME-WMZOPIPTSA-N 2 1 370.472 3.002 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N3CCc4ccccc43)C2)[nH+]1 ZINC000246174760 497647586 /nfs/dbraw/zinc/64/75/86/497647586.db2.gz TZZDBOXCZAPZPT-MSOLQXFVSA-N 2 1 364.493 3.102 10 0 FGAEMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000263277977 497748080 /nfs/dbraw/zinc/74/80/80/497748080.db2.gz RAJWMIZNKBARCT-OTYNDTSQSA-N 2 1 355.526 3.078 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@H](C)c1ccccc1Cl ZINC000246883918 497818534 /nfs/dbraw/zinc/81/85/34/497818534.db2.gz DSHZLKBPQOLGHV-GDBMZVCRSA-N 2 1 360.889 3.187 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@H](C)c1ccccc1Cl ZINC000246883918 497818535 /nfs/dbraw/zinc/81/85/35/497818535.db2.gz DSHZLKBPQOLGHV-GDBMZVCRSA-N 2 1 360.889 3.187 10 0 FGAEMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188653632 712774567 /nfs/dbraw/zinc/77/45/67/712774567.db2.gz MCRIBBQTJBSECV-BZSNNMDCSA-N 2 1 353.551 3.486 10 0 FGAEMP CC(C)[C@@H](C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000236692688 713582364 /nfs/dbraw/zinc/58/23/64/713582364.db2.gz ABKZMSRWOZZTPR-QZTJIDSGSA-N 2 1 353.551 3.344 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000109678444 494905856 /nfs/dbraw/zinc/90/58/56/494905856.db2.gz XSNQVVUHAXCORT-WOJBJXKFSA-N 2 1 366.509 3.274 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000109678444 494905861 /nfs/dbraw/zinc/90/58/61/494905861.db2.gz XSNQVVUHAXCORT-WOJBJXKFSA-N 2 1 366.509 3.274 10 0 FGAEMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000118545943 495008194 /nfs/dbraw/zinc/00/81/94/495008194.db2.gz NQKBSNAHPAMPMN-GOSISDBHSA-N 2 1 362.518 3.013 10 0 FGAEMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000111240448 495053042 /nfs/dbraw/zinc/05/30/42/495053042.db2.gz ASSTZOVQOVOLGF-LJQANCHMSA-N 2 1 354.922 3.024 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000123276845 495107758 /nfs/dbraw/zinc/10/77/58/495107758.db2.gz YUQKFSCVXFBJTK-FTRWYGJKSA-N 2 1 367.497 3.120 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000123276845 495107761 /nfs/dbraw/zinc/10/77/61/495107761.db2.gz YUQKFSCVXFBJTK-FTRWYGJKSA-N 2 1 367.497 3.120 10 0 FGAEMP CC[C@H](O)C[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000125267561 495416502 /nfs/dbraw/zinc/41/65/02/495416502.db2.gz XNOJBHQTIWRHOX-AWEZNQCLSA-N 2 1 353.388 3.147 10 0 FGAEMP Cc1ncc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)s1 ZINC000106127011 495416800 /nfs/dbraw/zinc/41/68/00/495416800.db2.gz BNTGWZZIZYUEDO-HXUWFJFHSA-N 2 1 359.539 3.329 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2csc(C3CCCC3)n2)CC1 ZINC000170941687 495660785 /nfs/dbraw/zinc/66/07/85/495660785.db2.gz OEAAYGCOVNUSND-OAHLLOKOSA-N 2 1 351.560 3.325 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2csc(C3CCCC3)n2)CC1 ZINC000170941687 495660792 /nfs/dbraw/zinc/66/07/92/495660792.db2.gz OEAAYGCOVNUSND-OAHLLOKOSA-N 2 1 351.560 3.325 10 0 FGAEMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000173950510 495759942 /nfs/dbraw/zinc/75/99/42/495759942.db2.gz BDIYKDAMLXSIHD-OALUTQOASA-N 2 1 354.922 3.024 10 0 FGAEMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000173950510 495759950 /nfs/dbraw/zinc/75/99/50/495759950.db2.gz BDIYKDAMLXSIHD-OALUTQOASA-N 2 1 354.922 3.024 10 0 FGAEMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000173950510 495759956 /nfs/dbraw/zinc/75/99/56/495759956.db2.gz BDIYKDAMLXSIHD-OALUTQOASA-N 2 1 354.922 3.024 10 0 FGAEMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000151341393 495810097 /nfs/dbraw/zinc/81/00/97/495810097.db2.gz IXUGKUGEDNZTGF-SJORKVTESA-N 2 1 355.320 3.337 10 0 FGAEMP Cc1ccc2c(c1)OCCC[C@H]2NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151775593 495942824 /nfs/dbraw/zinc/94/28/24/495942824.db2.gz RQFZCMJNUSUZHC-RBBKRZOGSA-N 2 1 366.505 3.218 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000176028744 496650419 /nfs/dbraw/zinc/65/04/19/496650419.db2.gz AIOZXTVSSMIGBP-FQEVSTJZSA-N 2 1 373.545 3.020 10 0 FGAEMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247065304 496768748 /nfs/dbraw/zinc/76/87/48/496768748.db2.gz OHIVSDJZZGZGJW-WMZOPIPTSA-N 2 1 372.538 3.253 10 0 FGAEMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247065304 496768756 /nfs/dbraw/zinc/76/87/56/496768756.db2.gz OHIVSDJZZGZGJW-WMZOPIPTSA-N 2 1 372.538 3.253 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)C3CCCCC3)C2)[nH+]1 ZINC000247361205 496844476 /nfs/dbraw/zinc/84/44/76/496844476.db2.gz MJYWKWJWWDRWBG-QZTJIDSGSA-N 2 1 358.530 3.303 10 0 FGAEMP CCc1nccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000247575226 496892498 /nfs/dbraw/zinc/89/24/98/496892498.db2.gz HSKTVBJPWHBAHN-WOJBJXKFSA-N 2 1 371.525 3.448 10 0 FGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000248659521 497075256 /nfs/dbraw/zinc/07/52/56/497075256.db2.gz VIHWKJCPYMEOSS-NRFANRHFSA-N 2 1 370.516 3.106 10 0 FGAEMP C[NH+](CCN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)Cc1ccc(F)cc1 ZINC000248659521 497075261 /nfs/dbraw/zinc/07/52/61/497075261.db2.gz VIHWKJCPYMEOSS-NRFANRHFSA-N 2 1 370.516 3.106 10 0 FGAEMP C[NH+](CCN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)Cc1ccc(F)cc1 ZINC000248659521 497075267 /nfs/dbraw/zinc/07/52/67/497075267.db2.gz VIHWKJCPYMEOSS-NRFANRHFSA-N 2 1 370.516 3.106 10 0 FGAEMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193327550 497350978 /nfs/dbraw/zinc/35/09/78/497350978.db2.gz JDXDSVAJISTWSS-OAQYLSRUSA-N 2 1 365.521 3.403 10 0 FGAEMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193327550 497350981 /nfs/dbraw/zinc/35/09/81/497350981.db2.gz JDXDSVAJISTWSS-OAQYLSRUSA-N 2 1 365.521 3.403 10 0 FGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193327550 497350985 /nfs/dbraw/zinc/35/09/85/497350985.db2.gz JDXDSVAJISTWSS-OAQYLSRUSA-N 2 1 365.521 3.403 10 0 FGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000193327550 497350990 /nfs/dbraw/zinc/35/09/90/497350990.db2.gz JDXDSVAJISTWSS-OAQYLSRUSA-N 2 1 365.521 3.403 10 0 FGAEMP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261691729 497434551 /nfs/dbraw/zinc/43/45/51/497434551.db2.gz JBJJVMHQJACBAZ-HXQKEGBBSA-N 2 1 369.484 3.066 10 0 FGAEMP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261691729 497434555 /nfs/dbraw/zinc/43/45/55/497434555.db2.gz JBJJVMHQJACBAZ-HXQKEGBBSA-N 2 1 369.484 3.066 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccn3)s2)C[C@H]1c1ccccc1 ZINC000261747115 497444161 /nfs/dbraw/zinc/44/41/61/497444161.db2.gz PVVTVOYUCXPIPS-AEFFLSMTSA-N 2 1 350.491 3.379 10 0 FGAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000261857615 497463067 /nfs/dbraw/zinc/46/30/67/497463067.db2.gz MWTMCCLLLPYHJY-LWUIHUKISA-N 2 1 355.526 3.063 10 0 FGAEMP COC(=O)C(C)(C)CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261976482 497486035 /nfs/dbraw/zinc/48/60/35/497486035.db2.gz QVRJXIRKKDJXEO-MRXNPFEDSA-N 2 1 350.528 3.282 10 0 FGAEMP COCCOc1ccccc1CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190471309 497493176 /nfs/dbraw/zinc/49/31/76/497493176.db2.gz RUEKBSBNQPBIGH-FQEVSTJZSA-N 2 1 369.509 3.061 10 0 FGAEMP COCCOc1ccccc1CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190471309 497493180 /nfs/dbraw/zinc/49/31/80/497493180.db2.gz RUEKBSBNQPBIGH-FQEVSTJZSA-N 2 1 369.509 3.061 10 0 FGAEMP Clc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000262046120 497499019 /nfs/dbraw/zinc/49/90/19/497499019.db2.gz ZCTAGZKOUNDXLO-RNIPGJKVSA-N 2 1 363.933 3.056 10 0 FGAEMP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246093142 497619626 /nfs/dbraw/zinc/61/96/26/497619626.db2.gz GTAFQWJKJRWWIF-MSOLQXFVSA-N 2 1 364.493 3.183 10 0 FGAEMP C[C@H](C(=O)N1CCCc2ccccc21)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246093142 497619628 /nfs/dbraw/zinc/61/96/28/497619628.db2.gz GTAFQWJKJRWWIF-MSOLQXFVSA-N 2 1 364.493 3.183 10 0 FGAEMP O[C@]12CCCC[C@@H]1C[NH+](CCCC[N@H+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246940544 497821275 /nfs/dbraw/zinc/82/12/75/497821275.db2.gz NOOJQOFXODYPRF-CZYKHXBRSA-N 2 1 364.574 3.021 10 0 FGAEMP Cc1[nH+]ccn1-c1cncc(NC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000092924484 494787170 /nfs/dbraw/zinc/78/71/70/494787170.db2.gz WPBBNXAEADCMIO-UHFFFAOYSA-N 2 1 354.502 3.426 10 0 FGAEMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000118545634 495008223 /nfs/dbraw/zinc/00/82/23/495008223.db2.gz IKOLBUPMDRXNAX-IBGZPJMESA-N 2 1 374.529 3.109 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000177389327 496042950 /nfs/dbraw/zinc/04/29/50/496042950.db2.gz MBYAWMAKJRYSIW-OAQYLSRUSA-N 2 1 372.557 3.085 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000152387474 496135588 /nfs/dbraw/zinc/13/55/88/496135588.db2.gz UTEICLDIGQURIP-QGZVFWFLSA-N 2 1 361.534 3.055 10 0 FGAEMP CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000157388210 496467781 /nfs/dbraw/zinc/46/77/81/496467781.db2.gz XLJGPETXTMXHQF-HLAWJBBLSA-N 2 1 372.557 3.165 10 0 FGAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000157388210 496467787 /nfs/dbraw/zinc/46/77/87/496467787.db2.gz XLJGPETXTMXHQF-HLAWJBBLSA-N 2 1 372.557 3.165 10 0 FGAEMP CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000157388210 496467792 /nfs/dbraw/zinc/46/77/92/496467792.db2.gz XLJGPETXTMXHQF-HLAWJBBLSA-N 2 1 372.557 3.165 10 0 FGAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000247115771 496784557 /nfs/dbraw/zinc/78/45/57/496784557.db2.gz IVADIGPFURFWBP-RXVVDRJESA-N 2 1 370.541 3.051 10 0 FGAEMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000191537762 496802362 /nfs/dbraw/zinc/80/23/62/496802362.db2.gz VXWWNRXLVMHZQW-OAQYLSRUSA-N 2 1 367.541 3.275 10 0 FGAEMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)cn1 ZINC000191537762 496802365 /nfs/dbraw/zinc/80/23/65/496802365.db2.gz VXWWNRXLVMHZQW-OAQYLSRUSA-N 2 1 367.541 3.275 10 0 FGAEMP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000247294340 496826824 /nfs/dbraw/zinc/82/68/24/496826824.db2.gz FLAJYYPFSLUCMW-VQTJNVASSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000247294340 496826827 /nfs/dbraw/zinc/82/68/27/496826827.db2.gz FLAJYYPFSLUCMW-VQTJNVASSA-N 2 1 369.509 3.181 10 0 FGAEMP C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393807 496992742 /nfs/dbraw/zinc/99/27/42/496992742.db2.gz FCRYZILHEAJMTG-FBBABVLZSA-N 2 1 372.557 3.242 10 0 FGAEMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000245202688 497376946 /nfs/dbraw/zinc/37/69/46/497376946.db2.gz VOUIWKXRYQRMNS-QFIPXVFZSA-N 2 1 363.505 3.239 10 0 FGAEMP CCN(C(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261638177 497425298 /nfs/dbraw/zinc/42/52/98/497425298.db2.gz FJNYLWVFMFJZPH-QFUCXCTJSA-N 2 1 351.494 3.102 10 0 FGAEMP CCN(C(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261638177 497425300 /nfs/dbraw/zinc/42/53/00/497425300.db2.gz FJNYLWVFMFJZPH-QFUCXCTJSA-N 2 1 351.494 3.102 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1c1ccccc1 ZINC000261642434 497425882 /nfs/dbraw/zinc/42/58/82/497425882.db2.gz AKJAPXVYEABXGW-IRLDBZIGSA-N 2 1 364.468 3.245 10 0 FGAEMP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1OC1CCCC1 ZINC000262033227 497496250 /nfs/dbraw/zinc/49/62/50/497496250.db2.gz XRDPSQTWMDRMTO-XUVXKRRUSA-N 2 1 374.525 3.263 10 0 FGAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000190488479 497501762 /nfs/dbraw/zinc/50/17/62/497501762.db2.gz VUNPVNSYMKSLAU-NRFANRHFSA-N 2 1 365.525 3.031 10 0 FGAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000190488479 497501767 /nfs/dbraw/zinc/50/17/67/497501767.db2.gz VUNPVNSYMKSLAU-NRFANRHFSA-N 2 1 365.525 3.031 10 0 FGAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000246172374 497647518 /nfs/dbraw/zinc/64/75/18/497647518.db2.gz LHOYNNJSARRQEV-SFTDATJTSA-N 2 1 372.557 3.295 10 0 FGAEMP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000246172374 497647522 /nfs/dbraw/zinc/64/75/22/497647522.db2.gz LHOYNNJSARRQEV-SFTDATJTSA-N 2 1 372.557 3.295 10 0 FGAEMP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000246172374 497647526 /nfs/dbraw/zinc/64/75/26/497647526.db2.gz LHOYNNJSARRQEV-SFTDATJTSA-N 2 1 372.557 3.295 10 0 FGAEMP Cc1[nH+]ccn1-c1cncc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000302087455 498401489 /nfs/dbraw/zinc/40/14/89/498401489.db2.gz ZRQMSVWSOZHRBI-SJLPKXTDSA-N 2 1 354.502 3.062 10 0 FGAEMP Cc1[nH+]ccn1-c1cncc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000302087455 498401492 /nfs/dbraw/zinc/40/14/92/498401492.db2.gz ZRQMSVWSOZHRBI-SJLPKXTDSA-N 2 1 354.502 3.062 10 0 FGAEMP CC[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000247217300 713637052 /nfs/dbraw/zinc/63/70/52/713637052.db2.gz WESNIGJJSIHZDH-QCLGFWRNSA-N 2 1 351.535 3.237 10 0 FGAEMP CCCOc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1OC ZINC000121135837 494612314 /nfs/dbraw/zinc/61/23/14/494612314.db2.gz VBXGOGNSGVQKEU-QGZVFWFLSA-N 2 1 364.530 3.009 10 0 FGAEMP Cc1ncccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000121181316 494635389 /nfs/dbraw/zinc/63/53/89/494635389.db2.gz LTFSZAHDIQHBGJ-JOCHJYFZSA-N 2 1 353.510 3.267 10 0 FGAEMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH+]2CC(C)C)c1 ZINC000124461807 495291897 /nfs/dbraw/zinc/29/18/97/495291897.db2.gz CHHLQYUFMGQSQF-HXUWFJFHSA-N 2 1 360.546 3.058 10 0 FGAEMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000124461807 495291901 /nfs/dbraw/zinc/29/19/01/495291901.db2.gz CHHLQYUFMGQSQF-HXUWFJFHSA-N 2 1 360.546 3.058 10 0 FGAEMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000124461807 495291904 /nfs/dbraw/zinc/29/19/04/495291904.db2.gz CHHLQYUFMGQSQF-HXUWFJFHSA-N 2 1 360.546 3.058 10 0 FGAEMP Cc1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)oc1C ZINC000106126952 495417512 /nfs/dbraw/zinc/41/75/12/495417512.db2.gz BBPLWUOKFKSPTI-HXUWFJFHSA-N 2 1 357.498 3.169 10 0 FGAEMP Cc1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)oc1C ZINC000106126952 495417516 /nfs/dbraw/zinc/41/75/16/495417516.db2.gz BBPLWUOKFKSPTI-HXUWFJFHSA-N 2 1 357.498 3.169 10 0 FGAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000130674980 495428969 /nfs/dbraw/zinc/42/89/69/495428969.db2.gz JGJJOZIGLKQEQO-DCCYDQLOSA-N 2 1 364.578 3.057 10 0 FGAEMP Cc1nc(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cs1 ZINC000120712370 495441187 /nfs/dbraw/zinc/44/11/87/495441187.db2.gz LFLOLQZSIPRQLN-FQEVSTJZSA-N 2 1 359.539 3.329 10 0 FGAEMP Cc1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cs1 ZINC000120712370 495441190 /nfs/dbraw/zinc/44/11/90/495441190.db2.gz LFLOLQZSIPRQLN-FQEVSTJZSA-N 2 1 359.539 3.329 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000176176527 495532102 /nfs/dbraw/zinc/53/21/02/495532102.db2.gz RZOYUHIZHKIQQG-NRFANRHFSA-N 2 1 372.557 3.298 10 0 FGAEMP Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000182562902 495617108 /nfs/dbraw/zinc/61/71/08/495617108.db2.gz QHFYJLDFVBYMIM-QGZVFWFLSA-N 2 1 355.482 3.151 10 0 FGAEMP CCC[C@H](C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)c1ccccc1 ZINC000180090193 495854011 /nfs/dbraw/zinc/85/40/11/495854011.db2.gz LKRJUCXZDPVJNY-PKTZIBPZSA-N 2 1 373.585 3.297 10 0 FGAEMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C12CCOCC2 ZINC000186274839 495924093 /nfs/dbraw/zinc/92/40/93/495924093.db2.gz NAOJEHZUMNPOJT-UXHICEINSA-N 2 1 373.472 3.384 10 0 FGAEMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000174410696 495947439 /nfs/dbraw/zinc/94/74/39/495947439.db2.gz GFAPRLMTXSKSEE-GIVPXCGWSA-N 2 1 372.557 3.165 10 0 FGAEMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000174410696 495947442 /nfs/dbraw/zinc/94/74/42/495947442.db2.gz GFAPRLMTXSKSEE-GIVPXCGWSA-N 2 1 372.557 3.165 10 0 FGAEMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000174410696 495947449 /nfs/dbraw/zinc/94/74/49/495947449.db2.gz GFAPRLMTXSKSEE-GIVPXCGWSA-N 2 1 372.557 3.165 10 0 FGAEMP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171651012 495969606 /nfs/dbraw/zinc/96/96/06/495969606.db2.gz WTMBMMQBSNGPME-UYAOXDASSA-N 2 1 366.509 3.137 10 0 FGAEMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171905451 496086284 /nfs/dbraw/zinc/08/62/84/496086284.db2.gz UWYQZJVQJAHMSY-NRFANRHFSA-N 2 1 370.541 3.052 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(Cc1ccccc1)C(C)C ZINC000178313303 496409227 /nfs/dbraw/zinc/40/92/27/496409227.db2.gz TZRAVYCODXHMGX-FQEVSTJZSA-N 2 1 354.498 3.093 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(Cc1ccccc1)C(C)C ZINC000178313303 496409233 /nfs/dbraw/zinc/40/92/33/496409233.db2.gz TZRAVYCODXHMGX-FQEVSTJZSA-N 2 1 354.498 3.093 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000178334947 496418023 /nfs/dbraw/zinc/41/80/23/496418023.db2.gz IZZAQURTWHPSGE-KSSFIOAISA-N 2 1 360.889 3.014 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000178334947 496418028 /nfs/dbraw/zinc/41/80/28/496418028.db2.gz IZZAQURTWHPSGE-KSSFIOAISA-N 2 1 360.889 3.014 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000245424917 497398478 /nfs/dbraw/zinc/39/84/78/497398478.db2.gz SMJOBKHOFCYUEM-NQIIRXRSSA-N 2 1 372.557 3.338 10 0 FGAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000245454570 497415826 /nfs/dbraw/zinc/41/58/26/497415826.db2.gz AAJFUOIQKRIMQR-ICSRJNTNSA-N 2 1 362.562 3.052 10 0 FGAEMP COc1ccc(OC(F)F)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261630902 497423839 /nfs/dbraw/zinc/42/38/39/497423839.db2.gz FLLXPOGDGIRSRE-AEFFLSMTSA-N 2 1 362.420 3.471 10 0 FGAEMP COc1ccc(OC(F)F)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261630902 497423844 /nfs/dbraw/zinc/42/38/44/497423844.db2.gz FLLXPOGDGIRSRE-AEFFLSMTSA-N 2 1 362.420 3.471 10 0 FGAEMP Fc1ccc(OCC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000261802954 497453723 /nfs/dbraw/zinc/45/37/23/497453723.db2.gz RQABZXOKHPNIKR-QGZVFWFLSA-N 2 1 361.486 3.305 10 0 FGAEMP Fc1ccc(OCC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000261802954 497453728 /nfs/dbraw/zinc/45/37/28/497453728.db2.gz RQABZXOKHPNIKR-QGZVFWFLSA-N 2 1 361.486 3.305 10 0 FGAEMP [NH3+]C[C@@H]1C[N@H+](Cc2csc(-c3ccccn3)n2)C[C@H]1c1ccccc1 ZINC000261832018 497459157 /nfs/dbraw/zinc/45/91/57/497459157.db2.gz SZIJGYJQUVFKTI-AEFFLSMTSA-N 2 1 350.491 3.379 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2csc(-c3ccccn3)n2)C[C@H]1c1ccccc1 ZINC000261832018 497459163 /nfs/dbraw/zinc/45/91/63/497459163.db2.gz SZIJGYJQUVFKTI-AEFFLSMTSA-N 2 1 350.491 3.379 10 0 FGAEMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261878781 497467682 /nfs/dbraw/zinc/46/76/82/497467682.db2.gz FBIOIRRBLGEZPW-NJYVYQBISA-N 2 1 368.525 3.242 10 0 FGAEMP FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261924760 497477724 /nfs/dbraw/zinc/47/77/24/497477724.db2.gz KXUSNUMKYQUHPW-FCGDIQPGSA-N 2 1 366.452 3.412 10 0 FGAEMP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261947774 497480859 /nfs/dbraw/zinc/48/08/59/497480859.db2.gz NUAWRJCQBUKTEX-KSZLIROESA-N 2 1 372.431 3.012 10 0 FGAEMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246792229 497811522 /nfs/dbraw/zinc/81/15/22/497811522.db2.gz CSFSWJGLULPJNC-XLIONFOSSA-N 2 1 360.546 3.056 10 0 FGAEMP Cn1cc([C@H](CNc2cc[nH+]c3cc(Br)ccc23)[NH+](C)C)cn1 ZINC000301275551 498033902 /nfs/dbraw/zinc/03/39/02/498033902.db2.gz IPPKDIAOZGAWIH-KRWDZBQOSA-N 2 1 374.286 3.446 10 0 FGAEMP Cc1nc2c(c(NCc3ccccc3C[N@H+]3CCC[C@H]3CO)n1)CCCC2 ZINC000302076285 257383515 /nfs/dbraw/zinc/38/35/15/257383515.db2.gz HFRZJCUOPNPHJJ-IBGZPJMESA-N 2 1 366.509 3.233 10 0 FGAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000067389508 494529863 /nfs/dbraw/zinc/52/98/63/494529863.db2.gz FCFQDLZWMMHWNC-IBGZPJMESA-N 2 1 374.573 3.270 10 0 FGAEMP C[N@@H+](C[C@H](O)c1ccccc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127790 495418020 /nfs/dbraw/zinc/41/80/20/495418020.db2.gz SGDYDZMFJGKGGM-XZOQPEGZSA-N 2 1 368.521 3.097 10 0 FGAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000176352075 495615721 /nfs/dbraw/zinc/61/57/21/495615721.db2.gz TWFNTHRVKCLDAJ-XLIONFOSSA-N 2 1 374.529 3.028 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000176352075 495615729 /nfs/dbraw/zinc/61/57/29/495615729.db2.gz TWFNTHRVKCLDAJ-XLIONFOSSA-N 2 1 374.529 3.028 10 0 FGAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170829386 495618633 /nfs/dbraw/zinc/61/86/33/495618633.db2.gz GCYYPHCXKNLIEP-UEXGIBASSA-N 2 1 372.557 3.010 10 0 FGAEMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000171078410 495714395 /nfs/dbraw/zinc/71/43/95/495714395.db2.gz AYVJUKCCHPHRHQ-GOSISDBHSA-N 2 1 355.486 3.223 10 0 FGAEMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000177557782 496110864 /nfs/dbraw/zinc/11/08/64/496110864.db2.gz FRECLXIAVYSEHQ-HXUWFJFHSA-N 2 1 367.541 3.193 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)cc(Br)c2)CC1 ZINC000177710432 496168137 /nfs/dbraw/zinc/16/81/37/496168137.db2.gz CJMYZXZGNZZPKH-CYBMUJFWSA-N 2 1 373.310 3.113 10 0 FGAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc(Br)c1 ZINC000178322348 496411588 /nfs/dbraw/zinc/41/15/88/496411588.db2.gz SRBWXPOUCOEWJL-IRXDYDNUSA-N 2 1 364.287 3.152 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc(Br)c1 ZINC000178322348 496411594 /nfs/dbraw/zinc/41/15/94/496411594.db2.gz SRBWXPOUCOEWJL-IRXDYDNUSA-N 2 1 364.287 3.152 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc(Br)c1 ZINC000178322348 496411598 /nfs/dbraw/zinc/41/15/98/496411598.db2.gz SRBWXPOUCOEWJL-IRXDYDNUSA-N 2 1 364.287 3.152 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000178334291 496416095 /nfs/dbraw/zinc/41/60/95/496416095.db2.gz UZUVYLRHHGOERI-WMLDXEAASA-N 2 1 360.889 3.014 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000178334291 496416100 /nfs/dbraw/zinc/41/61/00/496416100.db2.gz UZUVYLRHHGOERI-WMLDXEAASA-N 2 1 360.889 3.014 10 0 FGAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000181966471 496616589 /nfs/dbraw/zinc/61/65/89/496616589.db2.gz BEHSICDCNUZUIH-QZTJIDSGSA-N 2 1 374.529 3.026 10 0 FGAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000246969092 496738259 /nfs/dbraw/zinc/73/82/59/496738259.db2.gz FZMAZEFMJODKDK-DBXWQHBBSA-N 2 1 372.557 3.240 10 0 FGAEMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247175424 496797802 /nfs/dbraw/zinc/79/78/02/496797802.db2.gz VONODRLUCVSWBC-PMACEKPBSA-N 2 1 354.498 3.266 10 0 FGAEMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247175424 496797805 /nfs/dbraw/zinc/79/78/05/496797805.db2.gz VONODRLUCVSWBC-PMACEKPBSA-N 2 1 354.498 3.266 10 0 FGAEMP CCc1nccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000247575220 496892310 /nfs/dbraw/zinc/89/23/10/496892310.db2.gz HSKTVBJPWHBAHN-VQTJNVASSA-N 2 1 371.525 3.448 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000247587760 496893645 /nfs/dbraw/zinc/89/36/45/496893645.db2.gz JGGSSWNCJFBMIE-YQVWRLOYSA-N 2 1 366.509 3.449 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000247587760 496893646 /nfs/dbraw/zinc/89/36/46/496893646.db2.gz JGGSSWNCJFBMIE-YQVWRLOYSA-N 2 1 366.509 3.449 10 0 FGAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248663624 497076204 /nfs/dbraw/zinc/07/62/04/497076204.db2.gz ZWISGALTMWNFSH-VSKRKVRLSA-N 2 1 360.542 3.151 10 0 FGAEMP CCCCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248663624 497076209 /nfs/dbraw/zinc/07/62/09/497076209.db2.gz ZWISGALTMWNFSH-VSKRKVRLSA-N 2 1 360.542 3.151 10 0 FGAEMP CCCCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248663624 497076212 /nfs/dbraw/zinc/07/62/12/497076212.db2.gz ZWISGALTMWNFSH-VSKRKVRLSA-N 2 1 360.542 3.151 10 0 FGAEMP C[N@H+](Cc1ccc(F)nc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000189339277 497087262 /nfs/dbraw/zinc/08/72/62/497087262.db2.gz BRBWCIQBSKSYAI-HXUWFJFHSA-N 2 1 357.473 3.098 10 0 FGAEMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C)c1 ZINC000261675794 497430980 /nfs/dbraw/zinc/43/09/80/497430980.db2.gz HZHHWHDPHPJJCH-RLLQIKCJSA-N 2 1 351.494 3.305 10 0 FGAEMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C)c1 ZINC000261675794 497430988 /nfs/dbraw/zinc/43/09/88/497430988.db2.gz HZHHWHDPHPJJCH-RLLQIKCJSA-N 2 1 351.494 3.305 10 0 FGAEMP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261674143 497431011 /nfs/dbraw/zinc/43/10/11/497431011.db2.gz JIBMCFNDPRXZAB-WBVHZDCISA-N 2 1 354.885 3.401 10 0 FGAEMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261674143 497431018 /nfs/dbraw/zinc/43/10/18/497431018.db2.gz JIBMCFNDPRXZAB-WBVHZDCISA-N 2 1 354.885 3.401 10 0 FGAEMP Cc1nn2c(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)c(C(C)C)nc2s1 ZINC000261763048 497447136 /nfs/dbraw/zinc/44/71/36/497447136.db2.gz RHEGPSLBWXLYDH-SJORKVTESA-N 2 1 369.538 3.397 10 0 FGAEMP Cc1nn2c(C[N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)c(C(C)C)nc2s1 ZINC000261763048 497447141 /nfs/dbraw/zinc/44/71/41/497447141.db2.gz RHEGPSLBWXLYDH-SJORKVTESA-N 2 1 369.538 3.397 10 0 FGAEMP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246070774 497610888 /nfs/dbraw/zinc/61/08/88/497610888.db2.gz BPXDWMFXLGNMFF-KURKYZTESA-N 2 1 364.493 3.182 10 0 FGAEMP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246070774 497610890 /nfs/dbraw/zinc/61/08/90/497610890.db2.gz BPXDWMFXLGNMFF-KURKYZTESA-N 2 1 364.493 3.182 10 0 FGAEMP O[C@@H](C[NH2+][C@H](c1ccc(Br)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044300 705725871 /nfs/dbraw/zinc/72/58/71/705725871.db2.gz KBTTXDJYZUKDJY-ROUUACIJSA-N 2 1 367.331 3.337 10 0 FGAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000399654043 713991989 /nfs/dbraw/zinc/99/19/89/713991989.db2.gz UFUPLFAVPCKFEE-GUPWNNIGSA-N 2 1 358.551 3.151 10 0 FGAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000399654043 713991990 /nfs/dbraw/zinc/99/19/90/713991990.db2.gz UFUPLFAVPCKFEE-GUPWNNIGSA-N 2 1 358.551 3.151 10 0 FGAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000399654040 713992047 /nfs/dbraw/zinc/99/20/47/713992047.db2.gz UFUPLFAVPCKFEE-GKCYTULTSA-N 2 1 358.551 3.151 10 0 FGAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000399654040 713992049 /nfs/dbraw/zinc/99/20/49/713992049.db2.gz UFUPLFAVPCKFEE-GKCYTULTSA-N 2 1 358.551 3.151 10 0 FGAEMP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000067569994 494570906 /nfs/dbraw/zinc/57/09/06/494570906.db2.gz FGGIQJQDCAQXBV-OAQYLSRUSA-N 2 1 372.557 3.213 10 0 FGAEMP COc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1OC(C)C ZINC000121087605 494588373 /nfs/dbraw/zinc/58/83/73/494588373.db2.gz DOFZXTQLUCCUBB-KRWDZBQOSA-N 2 1 364.530 3.007 10 0 FGAEMP Cc1[nH+]ccn1-c1cncc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000092894991 494783590 /nfs/dbraw/zinc/78/35/90/494783590.db2.gz FVCLLTUOAGLIGK-SFHVURJKSA-N 2 1 354.502 3.063 10 0 FGAEMP CC(=O)c1c(C)cc(C)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000106126773 495416867 /nfs/dbraw/zinc/41/68/67/495416867.db2.gz MPJGHLBXAVPELI-KRWDZBQOSA-N 2 1 360.542 3.339 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000106213839 495432691 /nfs/dbraw/zinc/43/26/91/495432691.db2.gz KPSJMUUCIVGNRC-ICSRJNTNSA-N 2 1 368.525 3.438 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000106213839 495432695 /nfs/dbraw/zinc/43/26/95/495432695.db2.gz KPSJMUUCIVGNRC-ICSRJNTNSA-N 2 1 368.525 3.438 10 0 FGAEMP C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000170863776 495631788 /nfs/dbraw/zinc/63/17/88/495631788.db2.gz QILBZUISHVKWTA-OAQYLSRUSA-N 2 1 351.494 3.095 10 0 FGAEMP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000177092995 495922150 /nfs/dbraw/zinc/92/21/50/495922150.db2.gz HIGFYOZAFMANSW-HNNXBMFYSA-N 2 1 357.454 3.266 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccc(C(=O)N(C)C)c3)C2)[nH+]1 ZINC000171648725 495968200 /nfs/dbraw/zinc/96/82/00/495968200.db2.gz CTJPXIGVMMFAEU-GOSISDBHSA-N 2 1 352.482 3.026 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccc(C(=O)N(C)C)c3)C2)[nH+]1 ZINC000171648725 495968203 /nfs/dbraw/zinc/96/82/03/495968203.db2.gz CTJPXIGVMMFAEU-GOSISDBHSA-N 2 1 352.482 3.026 10 0 FGAEMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000177311219 496013503 /nfs/dbraw/zinc/01/35/03/496013503.db2.gz YSRAGKMCQXNAGR-FQEVSTJZSA-N 2 1 360.546 3.154 10 0 FGAEMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000177311198 496013738 /nfs/dbraw/zinc/01/37/38/496013738.db2.gz YSRAGKMCQXNAGR-HXUWFJFHSA-N 2 1 360.546 3.154 10 0 FGAEMP COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000152147016 496061859 /nfs/dbraw/zinc/06/18/59/496061859.db2.gz PCCZECKNMGXOQS-WMLDXEAASA-N 2 1 367.453 3.476 10 0 FGAEMP COc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)n2)cc1 ZINC000152147016 496061866 /nfs/dbraw/zinc/06/18/66/496061866.db2.gz PCCZECKNMGXOQS-WMLDXEAASA-N 2 1 367.453 3.476 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000176028754 496650492 /nfs/dbraw/zinc/65/04/92/496650492.db2.gz AIOZXTVSSMIGBP-HXUWFJFHSA-N 2 1 373.545 3.020 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248128178 496959322 /nfs/dbraw/zinc/95/93/22/496959322.db2.gz ODKOJOYNYFMOBP-HBMCJLEFSA-N 2 1 360.542 3.149 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248128178 496959327 /nfs/dbraw/zinc/95/93/27/496959327.db2.gz ODKOJOYNYFMOBP-HBMCJLEFSA-N 2 1 360.542 3.149 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248128178 496959332 /nfs/dbraw/zinc/95/93/32/496959332.db2.gz ODKOJOYNYFMOBP-HBMCJLEFSA-N 2 1 360.542 3.149 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248128178 496959335 /nfs/dbraw/zinc/95/93/35/496959335.db2.gz ODKOJOYNYFMOBP-HBMCJLEFSA-N 2 1 360.542 3.149 10 0 FGAEMP COC(=O)[C@@H](c1ccccc1C)N1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000248626770 497062984 /nfs/dbraw/zinc/06/29/84/497062984.db2.gz PUFJVDHHPGHKMK-FXAWDEMLSA-N 2 1 353.466 3.347 10 0 FGAEMP CCCn1cc[nH+]c1CCCN(C)c1cc(N2CCC[C@@H](C)C2)ncn1 ZINC000248650476 497072983 /nfs/dbraw/zinc/07/29/83/497072983.db2.gz AEXUJBOULWKZOX-QGZVFWFLSA-N 2 1 356.518 3.388 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCOCC(F)(F)C(F)(F)F)C2)[nH+]1 ZINC000189367606 497097328 /nfs/dbraw/zinc/09/73/28/497097328.db2.gz JYLIGBPFEONRFW-ZDUSSCGKSA-N 2 1 367.362 3.338 10 0 FGAEMP Cc1sc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)nc1-c1ccccc1 ZINC000261892835 497469758 /nfs/dbraw/zinc/46/97/58/497469758.db2.gz GRZLWZVYUMZOKJ-OTWHNJEPSA-N 2 1 371.550 3.408 10 0 FGAEMP Cn1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(-c2cccs2)n1 ZINC000261907804 497473283 /nfs/dbraw/zinc/47/32/83/497473283.db2.gz XPYBXCFHCYHKCS-AEFFLSMTSA-N 2 1 352.507 3.323 10 0 FGAEMP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000261991408 497489415 /nfs/dbraw/zinc/48/94/15/497489415.db2.gz STUOCYMZBPBUPP-KSZLIROESA-N 2 1 368.443 3.484 10 0 FGAEMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262118419 497510703 /nfs/dbraw/zinc/51/07/03/497510703.db2.gz JEBDVSDZDPUUCL-BBWFWOEESA-N 2 1 355.885 3.247 10 0 FGAEMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262118419 497510708 /nfs/dbraw/zinc/51/07/08/497510708.db2.gz JEBDVSDZDPUUCL-BBWFWOEESA-N 2 1 355.885 3.247 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)COc3c(C)cccc3C)C2)[nH+]1 ZINC000246073018 497611833 /nfs/dbraw/zinc/61/18/33/497611833.db2.gz CBPOZMDQHDXNNZ-PMACEKPBSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)COc3c(C)cccc3C)C2)[nH+]1 ZINC000246073018 497611835 /nfs/dbraw/zinc/61/18/35/497611835.db2.gz CBPOZMDQHDXNNZ-PMACEKPBSA-N 2 1 369.509 3.181 10 0 FGAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000246640985 497792856 /nfs/dbraw/zinc/79/28/56/497792856.db2.gz JOJUHOHFECDMAN-UYAOXDASSA-N 2 1 364.578 3.013 10 0 FGAEMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000373358286 499465277 /nfs/dbraw/zinc/46/52/77/499465277.db2.gz JBTLRTOGAGTLGQ-DUQJVZAFSA-N 2 1 351.535 3.237 10 0 FGAEMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000373358286 499465278 /nfs/dbraw/zinc/46/52/78/499465278.db2.gz JBTLRTOGAGTLGQ-DUQJVZAFSA-N 2 1 351.535 3.237 10 0 FGAEMP C[NH2+]CCc1ccccc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379667604 499542911 /nfs/dbraw/zinc/54/29/11/499542911.db2.gz BQZUIMFXALQXEE-OAQYLSRUSA-N 2 1 365.521 3.233 10 0 FGAEMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116289446 494753803 /nfs/dbraw/zinc/75/38/03/494753803.db2.gz UIUXHADFJWRBCD-YZGWKJHDSA-N 2 1 367.493 3.196 10 0 FGAEMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116289446 494753808 /nfs/dbraw/zinc/75/38/08/494753808.db2.gz UIUXHADFJWRBCD-YZGWKJHDSA-N 2 1 367.493 3.196 10 0 FGAEMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H]1c1ccco1 ZINC000116289446 494753810 /nfs/dbraw/zinc/75/38/10/494753810.db2.gz UIUXHADFJWRBCD-YZGWKJHDSA-N 2 1 367.493 3.196 10 0 FGAEMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H]1c1ccco1 ZINC000116289446 494753814 /nfs/dbraw/zinc/75/38/14/494753814.db2.gz UIUXHADFJWRBCD-YZGWKJHDSA-N 2 1 367.493 3.196 10 0 FGAEMP COCCOc1ccccc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813316 494761906 /nfs/dbraw/zinc/76/19/06/494761906.db2.gz SQPJFOCUCPAVGT-GOSISDBHSA-N 2 1 355.482 3.349 10 0 FGAEMP COCCOc1ccccc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813316 494761914 /nfs/dbraw/zinc/76/19/14/494761914.db2.gz SQPJFOCUCPAVGT-GOSISDBHSA-N 2 1 355.482 3.349 10 0 FGAEMP 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ZINC000261757642 497445761 /nfs/dbraw/zinc/44/57/61/497445761.db2.gz NVQWBFDKUUYCEH-FSSWDIPSSA-N 2 1 365.521 3.270 10 0 FGAEMP COc1ccccc1-n1nccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261783879 497450710 /nfs/dbraw/zinc/45/07/10/497450710.db2.gz FOZWGTMDCIBLGE-QUCCMNQESA-N 2 1 362.477 3.055 10 0 FGAEMP COc1ccccc1-n1nccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261783879 497450715 /nfs/dbraw/zinc/45/07/15/497450715.db2.gz FOZWGTMDCIBLGE-QUCCMNQESA-N 2 1 362.477 3.055 10 0 FGAEMP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261852602 497462549 /nfs/dbraw/zinc/46/25/49/497462549.db2.gz VMFCNIUDFAJZDL-MXKPZRPRSA-N 2 1 365.521 3.235 10 0 FGAEMP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261852602 497462555 /nfs/dbraw/zinc/46/25/55/497462555.db2.gz VMFCNIUDFAJZDL-MXKPZRPRSA-N 2 1 365.521 3.235 10 0 FGAEMP c1sc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)nc1C1CCCCC1 ZINC000261905889 497472503 /nfs/dbraw/zinc/47/25/03/497472503.db2.gz IGJLIXRJGKHQRD-RCCFBDPRSA-N 2 1 363.571 3.480 10 0 FGAEMP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261968920 497485189 /nfs/dbraw/zinc/48/51/89/497485189.db2.gz QJNMIOVTLVICBB-ZRBLBEILSA-N 3 1 371.569 3.309 10 0 FGAEMP Clc1ccc2sc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)nc2c1 ZINC000261974336 497486356 /nfs/dbraw/zinc/48/63/56/497486356.db2.gz QWOBQMYDMIGSFK-FMKPAKJESA-N 2 1 365.930 3.239 10 0 FGAEMP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000262013212 497492421 /nfs/dbraw/zinc/49/24/21/497492421.db2.gz VTGUJIKTXQODPC-MISYRCLQSA-N 2 1 358.526 3.254 10 0 FGAEMP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1OC1CCCC1 ZINC000262033224 497496415 /nfs/dbraw/zinc/49/64/15/497496415.db2.gz XRDPSQTWMDRMTO-AQNXPRMDSA-N 2 1 374.525 3.263 10 0 FGAEMP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1C ZINC000262307304 497537803 /nfs/dbraw/zinc/53/78/03/497537803.db2.gz YMAIJYIHPJCJQD-QIJUGHKUSA-N 2 1 365.521 3.155 10 0 FGAEMP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1C ZINC000262307304 497537808 /nfs/dbraw/zinc/53/78/08/497537808.db2.gz YMAIJYIHPJCJQD-QIJUGHKUSA-N 2 1 365.521 3.155 10 0 FGAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000245981881 497589531 /nfs/dbraw/zinc/58/95/31/497589531.db2.gz BEHSICDCNUZUIH-MSOLQXFVSA-N 2 1 374.529 3.026 10 0 FGAEMP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246176634 497648634 /nfs/dbraw/zinc/64/86/34/497648634.db2.gz UDDBLSIEXPYEOD-SJORKVTESA-N 2 1 368.481 3.241 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000246222216 497666555 /nfs/dbraw/zinc/66/65/55/497666555.db2.gz LNFNNAFOVQMHFT-YOEHRIQHSA-N 2 1 374.435 3.166 10 0 FGAEMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccsc1 ZINC000246357492 497707399 /nfs/dbraw/zinc/70/73/99/497707399.db2.gz DRTUZHLQESYMTC-ZWKOTPCHSA-N 2 1 364.559 3.011 10 0 FGAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000399654038 713992068 /nfs/dbraw/zinc/99/20/68/713992068.db2.gz UFUPLFAVPCKFEE-DQICJUEOSA-N 2 1 358.551 3.151 10 0 FGAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000399654038 713992069 /nfs/dbraw/zinc/99/20/69/713992069.db2.gz UFUPLFAVPCKFEE-DQICJUEOSA-N 2 1 358.551 3.151 10 0 FGAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000399654046 713992093 /nfs/dbraw/zinc/99/20/93/713992093.db2.gz UFUPLFAVPCKFEE-OSRHQDSCSA-N 2 1 358.551 3.151 10 0 FGAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000399654046 713992095 /nfs/dbraw/zinc/99/20/95/713992095.db2.gz UFUPLFAVPCKFEE-OSRHQDSCSA-N 2 1 358.551 3.151 10 0 FGAEMP C[NH+](C)Cc1csc(C[N@H+]2CCC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000215486035 206347222 /nfs/dbraw/zinc/34/72/22/206347222.db2.gz FGDPWDMSHLKRMF-FQEVSTJZSA-N 2 1 355.507 3.296 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000121145186 494614822 /nfs/dbraw/zinc/61/48/22/494614822.db2.gz BNBDYDCFQZDTSC-CQSZACIVSA-N 2 1 360.420 3.110 10 0 FGAEMP C[N@H+](Cc1cccc(O)c1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000121178653 494633234 /nfs/dbraw/zinc/63/32/34/494633234.db2.gz NBHXMLNHLKIOPB-QFIPXVFZSA-N 2 1 354.494 3.270 10 0 FGAEMP COc1cc(OC)c(OC)cc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813242 494757690 /nfs/dbraw/zinc/75/76/90/494757690.db2.gz LGVLWMSBZYUNOT-MRXNPFEDSA-N 2 1 371.481 3.350 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2csc(Nc3ccccc3)n2)CC1 ZINC000106124947 495417478 /nfs/dbraw/zinc/41/74/78/495417478.db2.gz CMCOPJZNOFVMAE-MRXNPFEDSA-N 2 1 374.554 3.411 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2csc(Nc3ccccc3)n2)CC1 ZINC000106124947 495417484 /nfs/dbraw/zinc/41/74/84/495417484.db2.gz CMCOPJZNOFVMAE-MRXNPFEDSA-N 2 1 374.554 3.411 10 0 FGAEMP Cc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1Br ZINC000179515658 495623778 /nfs/dbraw/zinc/62/37/78/495623778.db2.gz CEGOPHFAWACNDC-HNNXBMFYSA-N 2 1 369.347 3.282 10 0 FGAEMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000151341270 495808823 /nfs/dbraw/zinc/80/88/23/495808823.db2.gz IXUGKUGEDNZTGF-IRXDYDNUSA-N 2 1 355.320 3.337 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000178297861 496404478 /nfs/dbraw/zinc/40/44/78/496404478.db2.gz UIVAJZKTFVFZDN-FQEVSTJZSA-N 2 1 368.525 3.483 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000178297861 496404481 /nfs/dbraw/zinc/40/44/81/496404481.db2.gz UIVAJZKTFVFZDN-FQEVSTJZSA-N 2 1 368.525 3.483 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000178331326 496416439 /nfs/dbraw/zinc/41/64/39/496416439.db2.gz VCQPJKYFDGMTNK-NLPFYKDJSA-N 2 1 358.530 3.226 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000178331326 496416442 /nfs/dbraw/zinc/41/64/42/496416442.db2.gz VCQPJKYFDGMTNK-NLPFYKDJSA-N 2 1 358.530 3.226 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)[nH+]1 ZINC000172771143 496423495 /nfs/dbraw/zinc/42/34/95/496423495.db2.gz HDEIYGLYTBVYHR-IEBWSBKVSA-N 2 1 366.465 3.149 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)[nH+]1 ZINC000172771143 496423500 /nfs/dbraw/zinc/42/35/00/496423500.db2.gz HDEIYGLYTBVYHR-IEBWSBKVSA-N 2 1 366.465 3.149 10 0 FGAEMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C)CC(C)C ZINC000175700526 496505902 /nfs/dbraw/zinc/50/59/02/496505902.db2.gz GKROMFBDKUCYGE-RTBURBONSA-N 2 1 363.550 3.122 10 0 FGAEMP CCC[C@@H](NC(=O)C[N@H+]1CCC[C@H]1Cn1ccnc1C)c1ccccc1 ZINC000247108674 496781940 /nfs/dbraw/zinc/78/19/40/496781940.db2.gz QYKJCAKXLGLLTE-VQTJNVASSA-N 2 1 354.498 3.314 10 0 FGAEMP CCC[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)c1ccccc1 ZINC000247108674 496781945 /nfs/dbraw/zinc/78/19/45/496781945.db2.gz QYKJCAKXLGLLTE-VQTJNVASSA-N 2 1 354.498 3.314 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000247733516 496909960 /nfs/dbraw/zinc/90/99/60/496909960.db2.gz MNNROAXVLLYDFW-SJLPKXTDSA-N 2 1 352.482 3.060 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000247733516 496909966 /nfs/dbraw/zinc/90/99/66/496909966.db2.gz MNNROAXVLLYDFW-SJLPKXTDSA-N 2 1 352.482 3.060 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000247773631 496913198 /nfs/dbraw/zinc/91/31/98/496913198.db2.gz PWJHKQULGNRXPQ-APWZRJJASA-N 2 1 372.488 3.269 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000247773631 496913202 /nfs/dbraw/zinc/91/32/02/496913202.db2.gz PWJHKQULGNRXPQ-APWZRJJASA-N 2 1 372.488 3.269 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCc3sccc3C2)C1 ZINC000247875439 496923139 /nfs/dbraw/zinc/92/31/39/496923139.db2.gz YMRAXYMRYHQXAG-NVXWUHKLSA-N 2 1 372.538 3.117 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCc3sccc3C2)C1 ZINC000247875439 496923143 /nfs/dbraw/zinc/92/31/43/496923143.db2.gz YMRAXYMRYHQXAG-NVXWUHKLSA-N 2 1 372.538 3.117 10 0 FGAEMP C[C@H](CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237649765 497268637 /nfs/dbraw/zinc/26/86/37/497268637.db2.gz PHDNOAWNDCQCDG-NRSPTQNISA-N 2 1 357.542 3.183 10 0 FGAEMP C[C@@H]1CCC[C@H](N(Cc2noc(C[NH3+])n2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000261645348 497426232 /nfs/dbraw/zinc/42/62/32/497426232.db2.gz FXPDJTGZVQMGRB-YCPHGPKFSA-N 2 1 372.469 3.084 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@H]1c1ccccc1 ZINC000261730861 497441174 /nfs/dbraw/zinc/44/11/74/497441174.db2.gz OJRWYNMYKKRINX-MZYLBHOOSA-N 2 1 366.505 3.419 10 0 FGAEMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000261748357 497444555 /nfs/dbraw/zinc/44/45/55/497444555.db2.gz NDOCACKNLMMAPK-ZTNFWEORSA-N 2 1 371.912 3.192 10 0 FGAEMP C[C@@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000261748357 497444562 /nfs/dbraw/zinc/44/45/62/497444562.db2.gz NDOCACKNLMMAPK-ZTNFWEORSA-N 2 1 371.912 3.192 10 0 FGAEMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1OC1CCCC1 ZINC000261911103 497474793 /nfs/dbraw/zinc/47/47/93/497474793.db2.gz IZIROBJYSPFORC-VAMGGRTRSA-N 2 1 374.525 3.263 10 0 FGAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000261914330 497475322 /nfs/dbraw/zinc/47/53/22/497475322.db2.gz JKSBVGMKLGZEMN-BRWVUGGUSA-N 2 1 372.431 3.183 10 0 FGAEMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261952263 497483099 /nfs/dbraw/zinc/48/30/99/497483099.db2.gz OMWNGSACXDMGPN-ZRBLBEILSA-N 3 1 371.569 3.165 10 0 FGAEMP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261960107 497484019 /nfs/dbraw/zinc/48/40/19/497484019.db2.gz PLSWIEAHJUYWCZ-ZLNRFVROSA-N 3 1 371.569 3.309 10 0 FGAEMP Cc1cc(Br)cc(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261970346 497485200 /nfs/dbraw/zinc/48/52/00/497485200.db2.gz QMSFYCBYYLUDST-CGTJXYLNSA-N 2 1 367.331 3.313 10 0 FGAEMP CC(=O)Nc1ccccc1CN1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190458458 497486090 /nfs/dbraw/zinc/48/60/90/497486090.db2.gz GRTXTMOJOPFYIH-KRWDZBQOSA-N 2 1 372.538 3.364 10 0 FGAEMP CC(=O)Nc1ccccc1CN1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190458458 497486095 /nfs/dbraw/zinc/48/60/95/497486095.db2.gz GRTXTMOJOPFYIH-KRWDZBQOSA-N 2 1 372.538 3.364 10 0 FGAEMP CCC[C@@H](NC(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000246061131 497608211 /nfs/dbraw/zinc/60/82/11/497608211.db2.gz AINIZPIBSCJGNJ-AZUAARDMSA-N 2 1 366.509 3.473 10 0 FGAEMP CCC[C@@H](NC(=O)CN1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000246061131 497608212 /nfs/dbraw/zinc/60/82/12/497608212.db2.gz AINIZPIBSCJGNJ-AZUAARDMSA-N 2 1 366.509 3.473 10 0 FGAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000246349280 497703748 /nfs/dbraw/zinc/70/37/48/497703748.db2.gz PFICSAAQNBGDGR-RTWAWAEBSA-N 2 1 370.541 3.051 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](C)c1ccccc1Cl ZINC000246883943 497818499 /nfs/dbraw/zinc/81/84/99/497818499.db2.gz DSHZLKBPQOLGHV-ZBFHGGJFSA-N 2 1 360.889 3.187 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](C)c1ccccc1Cl ZINC000246883943 497818500 /nfs/dbraw/zinc/81/85/00/497818500.db2.gz DSHZLKBPQOLGHV-ZBFHGGJFSA-N 2 1 360.889 3.187 10 0 FGAEMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000174453678 705505086 /nfs/dbraw/zinc/50/50/86/705505086.db2.gz LIIPZUKOSZRBIK-QGZVFWFLSA-N 2 1 350.507 3.208 10 0 FGAEMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301314937 713781890 /nfs/dbraw/zinc/78/18/90/713781890.db2.gz UNLIDADNXHGFTA-FJIDUMEYSA-N 2 1 351.535 3.238 10 0 FGAEMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301314937 713781891 /nfs/dbraw/zinc/78/18/91/713781891.db2.gz UNLIDADNXHGFTA-FJIDUMEYSA-N 2 1 351.535 3.238 10 0 FGAEMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000305462639 713792947 /nfs/dbraw/zinc/79/29/47/713792947.db2.gz CRFCZVLJBHMZIJ-IRXDYDNUSA-N 2 1 353.551 3.486 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000121154911 494620447 /nfs/dbraw/zinc/62/04/47/494620447.db2.gz NNQHPSNKTPEXEM-CYBMUJFWSA-N 2 1 362.411 3.369 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000123416240 495129377 /nfs/dbraw/zinc/12/93/77/495129377.db2.gz HMFJQQLSRDQJGV-OAQYLSRUSA-N 2 1 358.574 3.133 10 0 FGAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000124333537 495271433 /nfs/dbraw/zinc/27/14/33/495271433.db2.gz OEXKBCAWVSNFEU-HXUWFJFHSA-N 2 1 364.578 3.203 10 0 FGAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000113584492 495317477 /nfs/dbraw/zinc/31/74/77/495317477.db2.gz IVADIGPFURFWBP-GHTZIAJQSA-N 2 1 370.541 3.051 10 0 FGAEMP Cc1csc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000130517649 495404567 /nfs/dbraw/zinc/40/45/67/495404567.db2.gz GUUVWEBFLRFCGH-IBGZPJMESA-N 2 1 359.539 3.329 10 0 FGAEMP CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000137896682 495452922 /nfs/dbraw/zinc/45/29/22/495452922.db2.gz AGGIJZBXNXEPSB-QGZVFWFLSA-N 2 1 356.470 3.083 10 0 FGAEMP CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000137896682 495452925 /nfs/dbraw/zinc/45/29/25/495452925.db2.gz AGGIJZBXNXEPSB-QGZVFWFLSA-N 2 1 356.470 3.083 10 0 FGAEMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106907450 495509721 /nfs/dbraw/zinc/50/97/21/495509721.db2.gz JEVMJZVBNOBMBY-SVFBPWRDSA-N 2 1 359.558 3.034 10 0 FGAEMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCOCC2 ZINC000186241206 495910585 /nfs/dbraw/zinc/91/05/85/495910585.db2.gz JUSPLYUMGBIJBN-YADHBBJMSA-N 2 1 372.553 3.257 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000151885324 495981676 /nfs/dbraw/zinc/98/16/76/495981676.db2.gz FFOLXWYZCOPIKG-RBUKOAKNSA-N 2 1 369.513 3.095 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152702102 496230809 /nfs/dbraw/zinc/23/08/09/496230809.db2.gz GFXUQSBBVVMPQK-MHJFOBGBSA-N 2 1 364.578 3.155 10 0 FGAEMP CCC[C@@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+](C)C ZINC000162273862 496326792 /nfs/dbraw/zinc/32/67/92/496326792.db2.gz DNVCBFJBBIDEOY-FQEVSTJZSA-N 2 1 357.498 3.258 10 0 FGAEMP CCC[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+](C)C ZINC000162273862 496326794 /nfs/dbraw/zinc/32/67/94/496326794.db2.gz DNVCBFJBBIDEOY-FQEVSTJZSA-N 2 1 357.498 3.258 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000178295496 496402213 /nfs/dbraw/zinc/40/22/13/496402213.db2.gz GSGWIKZMINQQHP-QFBILLFUSA-N 2 1 352.482 3.024 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000178295496 496402218 /nfs/dbraw/zinc/40/22/18/496402218.db2.gz GSGWIKZMINQQHP-QFBILLFUSA-N 2 1 352.482 3.024 10 0 FGAEMP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246947798 496732181 /nfs/dbraw/zinc/73/21/81/496732181.db2.gz HWXXRKVUGQIWGG-XLIONFOSSA-N 2 1 354.498 3.093 10 0 FGAEMP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246947798 496732184 /nfs/dbraw/zinc/73/21/84/496732184.db2.gz HWXXRKVUGQIWGG-XLIONFOSSA-N 2 1 354.498 3.093 10 0 FGAEMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000191483996 496778595 /nfs/dbraw/zinc/77/85/95/496778595.db2.gz FWIPREUFWVGEOJ-ROUUACIJSA-N 2 1 356.514 3.423 10 0 FGAEMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000191483996 496778601 /nfs/dbraw/zinc/77/86/01/496778601.db2.gz FWIPREUFWVGEOJ-ROUUACIJSA-N 2 1 356.514 3.423 10 0 FGAEMP CCCCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000195184319 496843588 /nfs/dbraw/zinc/84/35/88/496843588.db2.gz ZWISGALTMWNFSH-YPAWHYETSA-N 2 1 360.542 3.151 10 0 FGAEMP CCCCOC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000195184319 496843593 /nfs/dbraw/zinc/84/35/93/496843593.db2.gz ZWISGALTMWNFSH-YPAWHYETSA-N 2 1 360.542 3.151 10 0 FGAEMP CCCCOC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000195184319 496843599 /nfs/dbraw/zinc/84/35/99/496843599.db2.gz ZWISGALTMWNFSH-YPAWHYETSA-N 2 1 360.542 3.151 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)C3CCCCC3)C2)[nH+]1 ZINC000247361190 496844640 /nfs/dbraw/zinc/84/46/40/496844640.db2.gz MJYWKWJWWDRWBG-MSOLQXFVSA-N 2 1 358.530 3.303 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000247773632 496913303 /nfs/dbraw/zinc/91/33/03/496913303.db2.gz PWJHKQULGNRXPQ-VQIMIIECSA-N 2 1 372.488 3.269 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000247773632 496913305 /nfs/dbraw/zinc/91/33/05/496913305.db2.gz PWJHKQULGNRXPQ-VQIMIIECSA-N 2 1 372.488 3.269 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCc3sccc3C2)C1 ZINC000247875440 496923520 /nfs/dbraw/zinc/92/35/20/496923520.db2.gz YMRAXYMRYHQXAG-WBVHZDCISA-N 2 1 372.538 3.117 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCc3sccc3C2)C1 ZINC000247875440 496923524 /nfs/dbraw/zinc/92/35/24/496923524.db2.gz YMRAXYMRYHQXAG-WBVHZDCISA-N 2 1 372.538 3.117 10 0 FGAEMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248643302 497069418 /nfs/dbraw/zinc/06/94/18/497069418.db2.gz ZWZPZEBSUJWSIT-OKZBNKHCSA-N 2 1 362.518 3.207 10 0 FGAEMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248643302 497069421 /nfs/dbraw/zinc/06/94/21/497069421.db2.gz ZWZPZEBSUJWSIT-OKZBNKHCSA-N 2 1 362.518 3.207 10 0 FGAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C12CCOCC2 ZINC000249054500 497155401 /nfs/dbraw/zinc/15/54/01/497155401.db2.gz XJWOIIRLVHRXER-QGZVKYPTSA-N 2 1 350.547 3.203 10 0 FGAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000251955404 497292699 /nfs/dbraw/zinc/29/26/99/497292699.db2.gz YUOXJUKUMPDKSW-UYAOXDASSA-N 2 1 357.542 3.134 10 0 FGAEMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000261857612 497462922 /nfs/dbraw/zinc/46/29/22/497462922.db2.gz MWTMCCLLLPYHJY-HYUQFDPSSA-N 2 1 355.526 3.063 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261983021 497487693 /nfs/dbraw/zinc/48/76/93/497487693.db2.gz RWPAWVZLZOKREN-HWHRFOGPSA-N 2 1 371.569 3.308 10 0 FGAEMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261983021 497487696 /nfs/dbraw/zinc/48/76/96/497487696.db2.gz RWPAWVZLZOKREN-HWHRFOGPSA-N 3 1 371.569 3.308 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261983021 497487700 /nfs/dbraw/zinc/48/77/00/497487700.db2.gz RWPAWVZLZOKREN-HWHRFOGPSA-N 3 1 371.569 3.308 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000245981330 497588126 /nfs/dbraw/zinc/58/81/26/497588126.db2.gz YLCHYHLWYGFSPQ-QKLQHJQFSA-N 2 1 366.509 3.412 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000245981330 497588130 /nfs/dbraw/zinc/58/81/30/497588130.db2.gz YLCHYHLWYGFSPQ-QKLQHJQFSA-N 2 1 366.509 3.412 10 0 FGAEMP C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000262671675 497596165 /nfs/dbraw/zinc/59/61/65/497596165.db2.gz OOVWUOZUNQHNRA-WFXMLNOXSA-N 2 1 351.494 3.055 10 0 FGAEMP C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000262671675 497596168 /nfs/dbraw/zinc/59/61/68/497596168.db2.gz OOVWUOZUNQHNRA-WFXMLNOXSA-N 2 1 351.494 3.055 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000246892550 497819045 /nfs/dbraw/zinc/81/90/45/497819045.db2.gz FHMBTIYPDXTCPA-KDOFPFPSSA-N 2 1 360.889 3.187 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000246892550 497819046 /nfs/dbraw/zinc/81/90/46/497819046.db2.gz FHMBTIYPDXTCPA-KDOFPFPSSA-N 2 1 360.889 3.187 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(CSC(F)F)o2)CC1 ZINC000121140908 700666673 /nfs/dbraw/zinc/66/66/73/700666673.db2.gz NZSGIIMBUQLMHP-ZDUSSCGKSA-N 2 1 362.486 3.260 10 0 FGAEMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261865673 713715357 /nfs/dbraw/zinc/71/53/57/713715357.db2.gz CPQLYLSHVWKMHT-GVDBMIGSSA-N 2 1 353.304 3.004 10 0 FGAEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000301314901 713781873 /nfs/dbraw/zinc/78/18/73/713781873.db2.gz SPBGRGFJBYSEFI-RCCFBDPRSA-N 2 1 353.551 3.342 10 0 FGAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086364653 494150304 /nfs/dbraw/zinc/15/03/04/494150304.db2.gz AUIRJYFMVOXOJL-HOTGVXAUSA-N 2 1 357.502 3.271 10 0 FGAEMP O=C(C[N@@H+]1CCC[C@H]1c1ccco1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000116287747 494753649 /nfs/dbraw/zinc/75/36/49/494753649.db2.gz SOVLGNZGGGSVIE-FQEVSTJZSA-N 2 1 367.493 3.329 10 0 FGAEMP O=C(C[N@H+]1CCC[C@H]1c1ccco1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000116287747 494753657 /nfs/dbraw/zinc/75/36/57/494753657.db2.gz SOVLGNZGGGSVIE-FQEVSTJZSA-N 2 1 367.493 3.329 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)[nH+]1 ZINC000092813167 494758652 /nfs/dbraw/zinc/75/86/52/494758652.db2.gz WEKRELMRQUUDEN-IBGZPJMESA-N 2 1 351.498 3.319 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(N4CCCC4)nc3)C2)[nH+]1 ZINC000092813167 494758658 /nfs/dbraw/zinc/75/86/58/494758658.db2.gz WEKRELMRQUUDEN-IBGZPJMESA-N 2 1 351.498 3.319 10 0 FGAEMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105094129 495335962 /nfs/dbraw/zinc/33/59/62/495335962.db2.gz QNKXJVZFGGHJOE-NRFANRHFSA-N 2 1 370.541 3.052 10 0 FGAEMP CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000137896782 495452955 /nfs/dbraw/zinc/45/29/55/495452955.db2.gz AGGIJZBXNXEPSB-KRWDZBQOSA-N 2 1 356.470 3.083 10 0 FGAEMP CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000137896782 495452959 /nfs/dbraw/zinc/45/29/59/495452959.db2.gz AGGIJZBXNXEPSB-KRWDZBQOSA-N 2 1 356.470 3.083 10 0 FGAEMP O[C@@H](COCc1ccc(Cl)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173871094 495726866 /nfs/dbraw/zinc/72/68/66/495726866.db2.gz NPCLOJLHHHQOTP-UYAOXDASSA-N 2 1 366.933 3.025 10 0 FGAEMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000174236862 495876030 /nfs/dbraw/zinc/87/60/30/495876030.db2.gz GTAKJBQWPREXRZ-NHCUHLMSSA-N 2 1 372.557 3.024 10 0 FGAEMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000174236862 495876034 /nfs/dbraw/zinc/87/60/34/495876034.db2.gz GTAKJBQWPREXRZ-NHCUHLMSSA-N 2 1 372.557 3.024 10 0 FGAEMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000174236862 495876040 /nfs/dbraw/zinc/87/60/40/495876040.db2.gz GTAKJBQWPREXRZ-NHCUHLMSSA-N 2 1 372.557 3.024 10 0 FGAEMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C12CCOCC2 ZINC000186316254 495944679 /nfs/dbraw/zinc/94/46/79/495944679.db2.gz XCBPWPIVNLGUPO-BHDDXSALSA-N 2 1 372.553 3.115 10 0 FGAEMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171648650 495968639 /nfs/dbraw/zinc/96/86/39/495968639.db2.gz NDVJOYQEOFBDOO-WOJBJXKFSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171648650 495968648 /nfs/dbraw/zinc/96/86/48/495968648.db2.gz NDVJOYQEOFBDOO-WOJBJXKFSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCCC3=CCCCC3)C2)[nH+]1 ZINC000171652946 495971868 /nfs/dbraw/zinc/97/18/68/495971868.db2.gz ZGXOUILWICOSFG-IBGZPJMESA-N 2 1 356.514 3.131 10 0 FGAEMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178290826 496401479 /nfs/dbraw/zinc/40/14/79/496401479.db2.gz VONODRLUCVSWBC-UXHICEINSA-N 2 1 354.498 3.266 10 0 FGAEMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178290826 496401483 /nfs/dbraw/zinc/40/14/83/496401483.db2.gz VONODRLUCVSWBC-UXHICEINSA-N 2 1 354.498 3.266 10 0 FGAEMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178315614 496410795 /nfs/dbraw/zinc/41/07/95/496410795.db2.gz OLGXCKHRWDEZOA-IEBWSBKVSA-N 2 1 356.470 3.082 10 0 FGAEMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178315614 496410803 /nfs/dbraw/zinc/41/08/03/496410803.db2.gz OLGXCKHRWDEZOA-IEBWSBKVSA-N 2 1 356.470 3.082 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000178321814 496412149 /nfs/dbraw/zinc/41/21/49/496412149.db2.gz SUUPKZWSBGWKOP-RTWAWAEBSA-N 2 1 366.509 3.410 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000178321814 496412153 /nfs/dbraw/zinc/41/21/53/496412153.db2.gz SUUPKZWSBGWKOP-RTWAWAEBSA-N 2 1 366.509 3.410 10 0 FGAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246997732 496747335 /nfs/dbraw/zinc/74/73/35/496747335.db2.gz GTPVEQMWPXXEGO-JYRKZWEQSA-N 2 1 372.557 3.067 10 0 FGAEMP Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000247130614 496788306 /nfs/dbraw/zinc/78/83/06/496788306.db2.gz SGXYPSGUPQGCTJ-CTNGQTDRSA-N 2 1 354.498 3.169 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000247130614 496788309 /nfs/dbraw/zinc/78/83/09/496788309.db2.gz SGXYPSGUPQGCTJ-CTNGQTDRSA-N 2 1 354.498 3.169 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195176750 496842280 /nfs/dbraw/zinc/84/22/80/496842280.db2.gz TZNKZGIYWINFHB-PXNSSMCTSA-N 2 1 362.518 3.303 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195176750 496842282 /nfs/dbraw/zinc/84/22/82/496842282.db2.gz TZNKZGIYWINFHB-PXNSSMCTSA-N 2 1 362.518 3.303 10 0 FGAEMP COc1ccccc1CCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195295460 496879565 /nfs/dbraw/zinc/87/95/65/496879565.db2.gz KLDLNCYXVOLPCE-FQEVSTJZSA-N 2 1 353.510 3.477 10 0 FGAEMP COc1ccccc1CCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195295460 496879566 /nfs/dbraw/zinc/87/95/66/496879566.db2.gz KLDLNCYXVOLPCE-FQEVSTJZSA-N 2 1 353.510 3.477 10 0 FGAEMP COc1ccccc1CCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195295460 496879567 /nfs/dbraw/zinc/87/95/67/496879567.db2.gz KLDLNCYXVOLPCE-FQEVSTJZSA-N 2 1 353.510 3.477 10 0 FGAEMP COc1ccccc1CCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195295460 496879568 /nfs/dbraw/zinc/87/95/68/496879568.db2.gz KLDLNCYXVOLPCE-FQEVSTJZSA-N 2 1 353.510 3.477 10 0 FGAEMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248573121 497044388 /nfs/dbraw/zinc/04/43/88/497044388.db2.gz MQBRGXXWYSUJOX-DMUMMCEESA-N 2 1 357.542 3.495 10 0 FGAEMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248573121 497044391 /nfs/dbraw/zinc/04/43/91/497044391.db2.gz MQBRGXXWYSUJOX-DMUMMCEESA-N 2 1 357.542 3.495 10 0 FGAEMP [NH3+][C@@H](CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000237890429 497307933 /nfs/dbraw/zinc/30/79/33/497307933.db2.gz NRRXITYCPXHXRA-RTWAWAEBSA-N 2 1 351.494 3.247 10 0 FGAEMP Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000193285489 497341951 /nfs/dbraw/zinc/34/19/51/497341951.db2.gz JVUUCMVRXQMZOG-QZTJIDSGSA-N 2 1 369.509 3.408 10 0 FGAEMP c1ccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)cn2)cc1 ZINC000261897977 497471001 /nfs/dbraw/zinc/47/10/01/497471001.db2.gz HHWGHXZKFCXDFH-XUVXKRRUSA-N 2 1 353.466 3.121 10 0 FGAEMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1OC1CCCC1 ZINC000261911112 497474900 /nfs/dbraw/zinc/47/49/00/497474900.db2.gz IZIROBJYSPFORC-ZCNNSNEGSA-N 2 1 374.525 3.263 10 0 FGAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000262028102 497495251 /nfs/dbraw/zinc/49/52/51/497495251.db2.gz WWCQHMCGQXQCRH-APHBMKBZSA-N 2 1 350.388 3.265 10 0 FGAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000262305124 497536820 /nfs/dbraw/zinc/53/68/20/497536820.db2.gz RFXINGDZPXNHBD-JWWGGVBKSA-N 2 1 357.542 3.298 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H](O)COCc2ccccc2)C1 ZINC000246325635 497696022 /nfs/dbraw/zinc/69/60/22/497696022.db2.gz NIFHWLRAKNFCPP-HJNYFJLDSA-N 2 1 360.542 3.151 10 0 FGAEMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000246325635 497696024 /nfs/dbraw/zinc/69/60/24/497696024.db2.gz NIFHWLRAKNFCPP-HJNYFJLDSA-N 2 1 360.542 3.151 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000246325635 497696027 /nfs/dbraw/zinc/69/60/27/497696027.db2.gz NIFHWLRAKNFCPP-HJNYFJLDSA-N 2 1 360.542 3.151 10 0 FGAEMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000246325635 497696029 /nfs/dbraw/zinc/69/60/29/497696029.db2.gz NIFHWLRAKNFCPP-HJNYFJLDSA-N 2 1 360.542 3.151 10 0 FGAEMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000246325635 497696031 /nfs/dbraw/zinc/69/60/31/497696031.db2.gz NIFHWLRAKNFCPP-HJNYFJLDSA-N 2 1 360.542 3.151 10 0 FGAEMP O[C@]12CCCC[C@@H]1C[NH+](CCCC[N@H+]1CC[C@@]3(O)CCCC[C@H]3C1)CC2 ZINC000246940566 497821306 /nfs/dbraw/zinc/82/13/06/497821306.db2.gz NOOJQOFXODYPRF-LRSLUSHPSA-N 2 1 364.574 3.021 10 0 FGAEMP O[C@]12CCCC[C@@H]1C[N@H+](CCCC[NH+]1CC[C@@]3(O)CCCC[C@H]3C1)CC2 ZINC000246940566 497821307 /nfs/dbraw/zinc/82/13/07/497821307.db2.gz NOOJQOFXODYPRF-LRSLUSHPSA-N 2 1 364.574 3.021 10 0 FGAEMP O[C@]12CCCC[C@@H]1C[N@@H+](CCCC[NH+]1CC[C@@]3(O)CCCC[C@H]3C1)CC2 ZINC000246940566 497821308 /nfs/dbraw/zinc/82/13/08/497821308.db2.gz NOOJQOFXODYPRF-LRSLUSHPSA-N 2 1 364.574 3.021 10 0 FGAEMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000311910184 498756084 /nfs/dbraw/zinc/75/60/84/498756084.db2.gz DZZBDFFJJWOPIC-AYWYSENESA-N 2 1 350.510 3.298 10 0 FGAEMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132208611 494839431 /nfs/dbraw/zinc/83/94/31/494839431.db2.gz XTVICZXYCHVIMW-FXAWDEMLSA-N 2 1 360.546 3.008 10 0 FGAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000119508942 495179563 /nfs/dbraw/zinc/17/95/63/495179563.db2.gz MIBFYWPIBGFVSK-MRXNPFEDSA-N 2 1 357.498 3.345 10 0 FGAEMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000104989358 495322798 /nfs/dbraw/zinc/32/27/98/495322798.db2.gz UXWLEWZXLLMYAF-SFHVURJKSA-N 2 1 374.529 3.109 10 0 FGAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)[C@@H](C)C1 ZINC000130675155 495428427 /nfs/dbraw/zinc/42/84/27/495428427.db2.gz JGJJOZIGLKQEQO-FVELJTHGSA-N 2 1 364.578 3.057 10 0 FGAEMP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000154585574 495663296 /nfs/dbraw/zinc/66/32/96/495663296.db2.gz FJEJYNGLSZTBQB-IAGOWNOFSA-N 2 1 359.474 3.150 10 0 FGAEMP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154585574 495663302 /nfs/dbraw/zinc/66/33/02/495663302.db2.gz FJEJYNGLSZTBQB-IAGOWNOFSA-N 2 1 359.474 3.150 10 0 FGAEMP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154585574 495663308 /nfs/dbraw/zinc/66/33/08/495663308.db2.gz FJEJYNGLSZTBQB-IAGOWNOFSA-N 2 1 359.474 3.150 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N(C)C3CCC(C)CC3)C2)[nH+]1 ZINC000171651768 495969859 /nfs/dbraw/zinc/96/98/59/495969859.db2.gz HODPEKJYNNEUJW-CUYAVPTFSA-N 2 1 358.530 3.161 10 0 FGAEMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000157523275 496495373 /nfs/dbraw/zinc/49/53/73/496495373.db2.gz CSFSWJGLULPJNC-FXAWDEMLSA-N 2 1 360.546 3.056 10 0 FGAEMP CCC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000158461342 496706659 /nfs/dbraw/zinc/70/66/59/496706659.db2.gz AZVNXLOOOKFYEX-IRXDYDNUSA-N 2 1 371.447 3.126 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000247067349 496769723 /nfs/dbraw/zinc/76/97/23/496769723.db2.gz OJVOKONRMRKWMV-IEBWSBKVSA-N 2 1 361.534 3.020 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000247067349 496769726 /nfs/dbraw/zinc/76/97/26/496769726.db2.gz OJVOKONRMRKWMV-IEBWSBKVSA-N 2 1 361.534 3.020 10 0 FGAEMP O[C@@H](COCc1ccc(Cl)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247523177 496880434 /nfs/dbraw/zinc/88/04/34/496880434.db2.gz NPCLOJLHHHQOTP-AZUAARDMSA-N 2 1 366.933 3.025 10 0 FGAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000251955403 497293069 /nfs/dbraw/zinc/29/30/69/497293069.db2.gz YUOXJUKUMPDKSW-AZUAARDMSA-N 2 1 357.542 3.134 10 0 FGAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000262305129 497537750 /nfs/dbraw/zinc/53/77/50/497537750.db2.gz RFXINGDZPXNHBD-OVQGTLEDSA-N 2 1 357.542 3.298 10 0 FGAEMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000118948804 495055398 /nfs/dbraw/zinc/05/53/98/495055398.db2.gz WPILNSMGLMSLHA-FQEVSTJZSA-N 2 1 360.546 3.154 10 0 FGAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000113584489 495317848 /nfs/dbraw/zinc/31/78/48/495317848.db2.gz IVADIGPFURFWBP-WIYYLYMNSA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@H]1C ZINC000124714963 495332014 /nfs/dbraw/zinc/33/20/14/495332014.db2.gz YKORLMLDUSTFJA-CHWSQXEVSA-N 2 1 353.388 3.145 10 0 FGAEMP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@H]1C ZINC000124714963 495332018 /nfs/dbraw/zinc/33/20/18/495332018.db2.gz YKORLMLDUSTFJA-CHWSQXEVSA-N 2 1 353.388 3.145 10 0 FGAEMP Cc1ccc(-c2cc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)on2)cc1 ZINC000170941743 495661029 /nfs/dbraw/zinc/66/10/29/495661029.db2.gz GIWHCIHCYGHKEC-QGZVFWFLSA-N 2 1 357.498 3.175 10 0 FGAEMP O[C@H](COCc1ccc(Cl)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173871110 495727062 /nfs/dbraw/zinc/72/70/62/495727062.db2.gz NPCLOJLHHHQOTP-QUCCMNQESA-N 2 1 366.933 3.025 10 0 FGAEMP Cc1ccc2c(c1)OCCC[C@@H]2NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151775499 495943427 /nfs/dbraw/zinc/94/34/27/495943427.db2.gz RQFZCMJNUSUZHC-UNMCSNQZSA-N 2 1 366.505 3.218 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000177150873 495951223 /nfs/dbraw/zinc/95/12/23/495951223.db2.gz YWHGYLZRGUFHGK-FQEVSTJZSA-N 2 1 352.482 3.092 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000178315385 496409962 /nfs/dbraw/zinc/40/99/62/496409962.db2.gz CYXOZUBTRMJPGP-KXBFYZLASA-N 2 1 358.461 3.015 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000178315385 496409963 /nfs/dbraw/zinc/40/99/63/496409963.db2.gz CYXOZUBTRMJPGP-KXBFYZLASA-N 2 1 358.461 3.015 10 0 FGAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246997759 496747395 /nfs/dbraw/zinc/74/73/95/496747395.db2.gz GTPVEQMWPXXEGO-QCFAMHMHSA-N 2 1 372.557 3.067 10 0 FGAEMP C[C@H](CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237657604 497271099 /nfs/dbraw/zinc/27/10/99/497271099.db2.gz PHDNOAWNDCQCDG-HMXCVIKNSA-N 2 1 357.542 3.183 10 0 FGAEMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261616543 497420006 /nfs/dbraw/zinc/42/00/06/497420006.db2.gz CMYNFVQYWASWHG-GMBSWORKSA-N 2 1 357.885 3.341 10 0 FGAEMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261616543 497420012 /nfs/dbraw/zinc/42/00/12/497420012.db2.gz CMYNFVQYWASWHG-GMBSWORKSA-N 2 1 357.885 3.341 10 0 FGAEMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261778367 497449106 /nfs/dbraw/zinc/44/91/06/497449106.db2.gz PGBQGNQZZOKKDT-JRGCBEDISA-N 2 1 367.493 3.087 10 0 FGAEMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261778367 497449110 /nfs/dbraw/zinc/44/91/10/497449110.db2.gz PGBQGNQZZOKKDT-JRGCBEDISA-N 2 1 367.493 3.087 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000261840990 497460381 /nfs/dbraw/zinc/46/03/81/497460381.db2.gz UMFSVKMSVDXEIQ-SJORKVTESA-N 2 1 357.885 3.343 10 0 FGAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000262028107 497495183 /nfs/dbraw/zinc/49/51/83/497495183.db2.gz WWCQHMCGQXQCRH-UHOFOFEASA-N 2 1 350.388 3.265 10 0 FGAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000246412311 497725174 /nfs/dbraw/zinc/72/51/74/497725174.db2.gz SCAJDOYMKFNLKT-RTWAWAEBSA-N 2 1 370.541 3.051 10 0 FGAEMP Cc1nc[nH]c1C[NH+]1CCC([C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000011817968 207324838 /nfs/dbraw/zinc/32/48/38/207324838.db2.gz HUPUEERJLURWFA-OAQYLSRUSA-N 2 1 352.526 3.495 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000121131645 494610900 /nfs/dbraw/zinc/61/09/00/494610900.db2.gz HFRKRIPHYDSKDK-ZDUSSCGKSA-N 2 1 362.411 3.369 10 0 FGAEMP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000136957006 495412401 /nfs/dbraw/zinc/41/24/01/495412401.db2.gz GXSNHLNGHOCSEV-KRWDZBQOSA-N 2 1 368.481 3.243 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(Cl)c3cccnc23)CC1 ZINC000106124830 495416752 /nfs/dbraw/zinc/41/67/52/495416752.db2.gz MQDXEANWXPKYAG-HNNXBMFYSA-N 2 1 361.917 3.413 10 0 FGAEMP CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000137894910 495452552 /nfs/dbraw/zinc/45/25/52/495452552.db2.gz ZIANOZCPMJFMJG-SFHVURJKSA-N 2 1 356.470 3.083 10 0 FGAEMP CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000137894910 495452556 /nfs/dbraw/zinc/45/25/56/495452556.db2.gz ZIANOZCPMJFMJG-SFHVURJKSA-N 2 1 356.470 3.083 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000115543111 495514680 /nfs/dbraw/zinc/51/46/80/495514680.db2.gz ZVKADZNWKUFTME-RBUKOAKNSA-N 2 1 370.472 3.417 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000115543111 495514685 /nfs/dbraw/zinc/51/46/85/495514685.db2.gz ZVKADZNWKUFTME-RBUKOAKNSA-N 2 1 370.472 3.417 10 0 FGAEMP CC(C)c1nnc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1C ZINC000179395875 495574298 /nfs/dbraw/zinc/57/42/98/495574298.db2.gz GOBPMRTYWLKIGX-UHFFFAOYSA-N 2 1 356.518 3.072 10 0 FGAEMP CC(C)c1nnc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1C ZINC000179395875 495574304 /nfs/dbraw/zinc/57/43/04/495574304.db2.gz GOBPMRTYWLKIGX-UHFFFAOYSA-N 2 1 356.518 3.072 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176407818 495640306 /nfs/dbraw/zinc/64/03/06/495640306.db2.gz VEOQOBDNHFHCIC-FQEVSTJZSA-N 2 1 373.545 3.163 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)cc3cccnc32)CC1 ZINC000170941870 495661094 /nfs/dbraw/zinc/66/10/94/495661094.db2.gz SSVYDUPOAQAZJB-HNNXBMFYSA-N 2 1 361.917 3.413 10 0 FGAEMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)ccc1OC ZINC000183090710 495829978 /nfs/dbraw/zinc/82/99/78/495829978.db2.gz TUNFTRAHOQFBPL-QAPCUYQASA-N 2 1 357.502 3.314 10 0 FGAEMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCCn3ncnc32)ccc1OC ZINC000183090731 495830778 /nfs/dbraw/zinc/83/07/78/495830778.db2.gz TUNFTRAHOQFBPL-YJBOKZPZSA-N 2 1 357.502 3.314 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000155229901 495883241 /nfs/dbraw/zinc/88/32/41/495883241.db2.gz ALSOASVHSYDUST-FXAWDEMLSA-N 2 1 366.509 3.056 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCc3ccccc3C2)C1 ZINC000155229901 495883246 /nfs/dbraw/zinc/88/32/46/495883246.db2.gz ALSOASVHSYDUST-FXAWDEMLSA-N 2 1 366.509 3.056 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177184888 495966640 /nfs/dbraw/zinc/96/66/40/495966640.db2.gz LKIRCRZZZQCUNK-LEWJYISDSA-N 2 1 366.509 3.095 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177184888 495966649 /nfs/dbraw/zinc/96/66/49/495966649.db2.gz LKIRCRZZZQCUNK-LEWJYISDSA-N 2 1 366.509 3.095 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCCC3=CCCCC3)C2)[nH+]1 ZINC000171652951 495971687 /nfs/dbraw/zinc/97/16/87/495971687.db2.gz ZGXOUILWICOSFG-LJQANCHMSA-N 2 1 356.514 3.131 10 0 FGAEMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000177375924 496038235 /nfs/dbraw/zinc/03/82/35/496038235.db2.gz SRYLUNHNCIRNPJ-HXUWFJFHSA-N 2 1 360.546 3.154 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000177389768 496042783 /nfs/dbraw/zinc/04/27/83/496042783.db2.gz YFXDOECSAVDEJQ-HXUWFJFHSA-N 2 1 360.546 3.153 10 0 FGAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000177389768 496042789 /nfs/dbraw/zinc/04/27/89/496042789.db2.gz YFXDOECSAVDEJQ-HXUWFJFHSA-N 2 1 360.546 3.153 10 0 FGAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000177389768 496042795 /nfs/dbraw/zinc/04/27/95/496042795.db2.gz YFXDOECSAVDEJQ-HXUWFJFHSA-N 2 1 360.546 3.153 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Br)cs2)CC1 ZINC000172014274 496130277 /nfs/dbraw/zinc/13/02/77/496130277.db2.gz YYFLGUJRNOSOBH-GFCCVEGCSA-N 2 1 361.349 3.035 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000178331339 496416537 /nfs/dbraw/zinc/41/65/37/496416537.db2.gz VCQPJKYFDGMTNK-OUNSHVDWSA-N 2 1 358.530 3.226 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000178331339 496416539 /nfs/dbraw/zinc/41/65/39/496416539.db2.gz VCQPJKYFDGMTNK-OUNSHVDWSA-N 2 1 358.530 3.226 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195176757 496842728 /nfs/dbraw/zinc/84/27/28/496842728.db2.gz TZNKZGIYWINFHB-XLIONFOSSA-N 2 1 362.518 3.303 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195176757 496842734 /nfs/dbraw/zinc/84/27/34/496842734.db2.gz TZNKZGIYWINFHB-XLIONFOSSA-N 2 1 362.518 3.303 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000247598341 496893785 /nfs/dbraw/zinc/89/37/85/496893785.db2.gz KPSJMUUCIVGNRC-QUCCMNQESA-N 2 1 368.525 3.438 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000247598341 496893791 /nfs/dbraw/zinc/89/37/91/496893791.db2.gz KPSJMUUCIVGNRC-QUCCMNQESA-N 2 1 368.525 3.438 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248128179 496958265 /nfs/dbraw/zinc/95/82/65/496958265.db2.gz ODKOJOYNYFMOBP-NJYVYQBISA-N 2 1 360.542 3.149 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248128179 496958270 /nfs/dbraw/zinc/95/82/70/496958270.db2.gz ODKOJOYNYFMOBP-NJYVYQBISA-N 2 1 360.542 3.149 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248128179 496958274 /nfs/dbraw/zinc/95/82/74/496958274.db2.gz ODKOJOYNYFMOBP-NJYVYQBISA-N 2 1 360.542 3.149 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248128179 496958278 /nfs/dbraw/zinc/95/82/78/496958278.db2.gz ODKOJOYNYFMOBP-NJYVYQBISA-N 2 1 360.542 3.149 10 0 FGAEMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000249119539 497170035 /nfs/dbraw/zinc/17/00/35/497170035.db2.gz TXKGGQUYWVMWPS-NJDAHSKKSA-N 2 1 358.526 3.072 10 0 FGAEMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC(F)F ZINC000261603307 497416935 /nfs/dbraw/zinc/41/69/35/497416935.db2.gz ARODJPPZNPENNW-SJORKVTESA-N 2 1 362.420 3.471 10 0 FGAEMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C)c1 ZINC000261675801 497431321 /nfs/dbraw/zinc/43/13/21/497431321.db2.gz HZHHWHDPHPJJCH-SXLOBPIMSA-N 2 1 351.494 3.305 10 0 FGAEMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C)c1 ZINC000261675801 497431325 /nfs/dbraw/zinc/43/13/25/497431325.db2.gz HZHHWHDPHPJJCH-SXLOBPIMSA-N 2 1 351.494 3.305 10 0 FGAEMP CN(c1ccccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21)C1CC[NH+](C)CC1 ZINC000245513609 497436496 /nfs/dbraw/zinc/43/64/96/497436496.db2.gz CZXJVHHXOYYWBC-FGZHOGPDSA-N 2 1 357.542 3.360 10 0 FGAEMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261731986 497441739 /nfs/dbraw/zinc/44/17/39/497441739.db2.gz LXILJNWWPSWNAA-GMBSWORKSA-N 2 1 357.885 3.341 10 0 FGAEMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261731986 497441743 /nfs/dbraw/zinc/44/17/43/497441743.db2.gz LXILJNWWPSWNAA-GMBSWORKSA-N 2 1 357.885 3.341 10 0 FGAEMP CCOCc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1OC ZINC000261821607 497456352 /nfs/dbraw/zinc/45/63/52/497456352.db2.gz XYJNSIJABUGDIC-RTWAWAEBSA-N 2 1 354.494 3.406 10 0 FGAEMP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)c1 ZINC000261991411 497488715 /nfs/dbraw/zinc/48/87/15/497488715.db2.gz STUOCYMZBPBUPP-KZNAEPCWSA-N 2 1 368.443 3.484 10 0 FGAEMP c1ccc(-c2ccccc2OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262014683 497493131 /nfs/dbraw/zinc/49/31/31/497493131.db2.gz VXNCKHNCEXCWOY-VSKRKVRLSA-N 2 1 366.505 3.479 10 0 FGAEMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000194179798 497595173 /nfs/dbraw/zinc/59/51/73/497595173.db2.gz HBPPUBCTWNIOQT-KRWDZBQOSA-N 2 1 366.575 3.086 10 0 FGAEMP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246093158 497619825 /nfs/dbraw/zinc/61/98/25/497619825.db2.gz GTAFQWJKJRWWIF-ROUUACIJSA-N 2 1 364.493 3.183 10 0 FGAEMP C[C@@H](C(=O)N1CCCc2ccccc21)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246093158 497619826 /nfs/dbraw/zinc/61/98/26/497619826.db2.gz GTAFQWJKJRWWIF-ROUUACIJSA-N 2 1 364.493 3.183 10 0 FGAEMP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905559 498762883 /nfs/dbraw/zinc/76/28/83/498762883.db2.gz JYSDHSMORICZEZ-SFTDATJTSA-N 2 1 372.509 3.049 10 0 FGAEMP CC(C)[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000236673320 713582499 /nfs/dbraw/zinc/58/24/99/713582499.db2.gz ABKZMSRWOZZTPR-ROUUACIJSA-N 2 1 353.551 3.344 10 0 FGAEMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000249033577 713662570 /nfs/dbraw/zinc/66/25/70/713662570.db2.gz MCRIBBQTJBSECV-SQNIBIBYSA-N 2 1 353.551 3.486 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089732577 494350731 /nfs/dbraw/zinc/35/07/31/494350731.db2.gz FUCLMIQJELUTPK-LPHOPBHVSA-N 2 1 362.481 3.290 10 0 FGAEMP [NH3+]CC1(Cc2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000016052628 494375788 /nfs/dbraw/zinc/37/57/88/494375788.db2.gz KCWPSUKJCKZEAO-UHFFFAOYSA-N 2 1 355.873 3.399 10 0 in-vivo FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(-c3cccs3)s2)CC1 ZINC000121130206 494611140 /nfs/dbraw/zinc/61/11/40/494611140.db2.gz DTDNMMQUBQSGDA-AWEZNQCLSA-N 2 1 365.568 3.396 10 0 FGAEMP Cc1csc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000130517883 495404411 /nfs/dbraw/zinc/40/44/11/495404411.db2.gz GUUVWEBFLRFCGH-LJQANCHMSA-N 2 1 359.539 3.329 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000106124916 495416769 /nfs/dbraw/zinc/41/67/69/495416769.db2.gz OBBIGGWPMPYXHS-AWEZNQCLSA-N 2 1 360.420 3.110 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000106124840 495417378 /nfs/dbraw/zinc/41/73/78/495417378.db2.gz HCFXSOUEVNZIEI-KRWDZBQOSA-N 2 1 373.566 3.259 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000106124840 495417381 /nfs/dbraw/zinc/41/73/81/495417381.db2.gz HCFXSOUEVNZIEI-KRWDZBQOSA-N 2 1 373.566 3.259 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2)C1 ZINC000106216627 495434655 /nfs/dbraw/zinc/43/46/55/495434655.db2.gz PDLFLSJAWYYAPV-PKOBYXMFSA-N 2 1 354.498 3.130 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2)C1 ZINC000106216627 495434659 /nfs/dbraw/zinc/43/46/59/495434659.db2.gz PDLFLSJAWYYAPV-PKOBYXMFSA-N 2 1 354.498 3.130 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000107304132 495524995 /nfs/dbraw/zinc/52/49/95/495524995.db2.gz CZQVWWUSBSLAEI-HNNXBMFYSA-N 2 1 374.447 3.109 10 0 FGAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccccc1Br ZINC000155050453 495816685 /nfs/dbraw/zinc/81/66/85/495816685.db2.gz HSBGWQPRYUOOTK-YOEHRIQHSA-N 2 1 364.287 3.152 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1Br ZINC000155050453 495816688 /nfs/dbraw/zinc/81/66/88/495816688.db2.gz HSBGWQPRYUOOTK-YOEHRIQHSA-N 2 1 364.287 3.152 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177184859 495966316 /nfs/dbraw/zinc/96/63/16/495966316.db2.gz LKIRCRZZZQCUNK-NHCUHLMSSA-N 2 1 366.509 3.095 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177184859 495966322 /nfs/dbraw/zinc/96/63/22/495966322.db2.gz LKIRCRZZZQCUNK-NHCUHLMSSA-N 2 1 366.509 3.095 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000178293177 496401779 /nfs/dbraw/zinc/40/17/79/496401779.db2.gz MIOSKSIMAPGFSD-PZJWPPBQSA-N 2 1 372.488 3.309 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000178293177 496401783 /nfs/dbraw/zinc/40/17/83/496401783.db2.gz MIOSKSIMAPGFSD-PZJWPPBQSA-N 2 1 372.488 3.309 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000178320211 496412356 /nfs/dbraw/zinc/41/23/56/496412356.db2.gz FHMBTIYPDXTCPA-KSSFIOAISA-N 2 1 360.889 3.187 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000178320211 496412362 /nfs/dbraw/zinc/41/23/62/496412362.db2.gz FHMBTIYPDXTCPA-KSSFIOAISA-N 2 1 360.889 3.187 10 0 FGAEMP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178328359 496415179 /nfs/dbraw/zinc/41/51/79/496415179.db2.gz CMMUBDLKUUCKDS-YOEHRIQHSA-N 2 1 358.511 3.405 10 0 FGAEMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178328359 496415182 /nfs/dbraw/zinc/41/51/82/496415182.db2.gz CMMUBDLKUUCKDS-YOEHRIQHSA-N 2 1 358.511 3.405 10 0 FGAEMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)c1ccco1 ZINC000176012943 496642943 /nfs/dbraw/zinc/64/29/43/496642943.db2.gz PPIZYUYPJMNJKH-ZWKOTPCHSA-N 2 1 373.501 3.042 10 0 FGAEMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247121378 496785848 /nfs/dbraw/zinc/78/58/48/496785848.db2.gz FTFWQCFJAUBSCS-QZTJIDSGSA-N 2 1 374.529 3.108 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc4c(c3)sc(=O)n4C)C2)[nH+]1 ZINC000195001395 496786991 /nfs/dbraw/zinc/78/69/91/496786991.db2.gz NTZBIIFUUVCOND-INIZCTEOSA-N 2 1 368.506 3.237 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000247140327 496791728 /nfs/dbraw/zinc/79/17/28/496791728.db2.gz SVAGTLKWCNRXDG-VQIMIIECSA-N 2 1 352.482 3.024 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000247140327 496791734 /nfs/dbraw/zinc/79/17/34/496791734.db2.gz SVAGTLKWCNRXDG-VQIMIIECSA-N 2 1 352.482 3.024 10 0 FGAEMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195283098 496874548 /nfs/dbraw/zinc/87/45/48/496874548.db2.gz YSMABDHOMFLQIC-HXUWFJFHSA-N 2 1 366.509 3.173 10 0 FGAEMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195283098 496874555 /nfs/dbraw/zinc/87/45/55/496874555.db2.gz YSMABDHOMFLQIC-HXUWFJFHSA-N 2 1 366.509 3.173 10 0 FGAEMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195283098 496874561 /nfs/dbraw/zinc/87/45/61/496874561.db2.gz YSMABDHOMFLQIC-HXUWFJFHSA-N 2 1 366.509 3.173 10 0 FGAEMP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195283098 496874566 /nfs/dbraw/zinc/87/45/66/496874566.db2.gz YSMABDHOMFLQIC-HXUWFJFHSA-N 2 1 366.509 3.173 10 0 FGAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000195298903 496881084 /nfs/dbraw/zinc/88/10/84/496881084.db2.gz PEMBEHBZMJHCQP-SFHVURJKSA-N 2 1 370.472 3.003 10 0 FGAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000195298903 496881090 /nfs/dbraw/zinc/88/10/90/496881090.db2.gz PEMBEHBZMJHCQP-SFHVURJKSA-N 2 1 370.472 3.003 10 0 FGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000195298903 496881095 /nfs/dbraw/zinc/88/10/95/496881095.db2.gz PEMBEHBZMJHCQP-SFHVURJKSA-N 2 1 370.472 3.003 10 0 FGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000195298903 496881100 /nfs/dbraw/zinc/88/11/00/496881100.db2.gz PEMBEHBZMJHCQP-SFHVURJKSA-N 2 1 370.472 3.003 10 0 FGAEMP Cc1csc([C@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000192728987 497198251 /nfs/dbraw/zinc/19/82/51/497198251.db2.gz NYXBHBKZYBCORI-SFHVURJKSA-N 2 1 350.576 3.047 10 0 FGAEMP Cc1cc(C)c(C[NH+]2CCC3(CC[C@@H](C[NH+]4CCOCC4)O3)CC2)c(C)c1 ZINC000257191822 497388359 /nfs/dbraw/zinc/38/83/59/497388359.db2.gz RLDPJKAOIBRKOX-NRFANRHFSA-N 2 1 372.553 3.458 10 0 FGAEMP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261655587 497428510 /nfs/dbraw/zinc/42/85/10/497428510.db2.gz GQQZVWCFNPUZCE-CVAIRZPRSA-N 2 1 371.912 3.019 10 0 FGAEMP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261655587 497428511 /nfs/dbraw/zinc/42/85/11/497428511.db2.gz GQQZVWCFNPUZCE-CVAIRZPRSA-N 2 1 371.912 3.019 10 0 FGAEMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261801839 497454116 /nfs/dbraw/zinc/45/41/16/497454116.db2.gz GXWFGCCEKXWDCR-CTNGQTDRSA-N 2 1 361.493 3.058 10 0 FGAEMP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261947778 497481055 /nfs/dbraw/zinc/48/10/55/497481055.db2.gz NUAWRJCQBUKTEX-RCCFBDPRSA-N 2 1 372.431 3.012 10 0 FGAEMP Clc1ccc2sc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)nc2c1 ZINC000261974338 497486018 /nfs/dbraw/zinc/48/60/18/497486018.db2.gz QWOBQMYDMIGSFK-LZWOXQAQSA-N 2 1 365.930 3.239 10 0 FGAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)cc2)C1 ZINC000262046048 497499028 /nfs/dbraw/zinc/49/90/28/497499028.db2.gz ZBIFZEOTLJMQRS-YJSIEXFISA-N 2 1 371.569 3.165 10 0 FGAEMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)cc2)C1 ZINC000262046048 497499032 /nfs/dbraw/zinc/49/90/32/497499032.db2.gz ZBIFZEOTLJMQRS-YJSIEXFISA-N 3 1 371.569 3.165 10 0 FGAEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)cc2)C1 ZINC000262046048 497499037 /nfs/dbraw/zinc/49/90/37/497499037.db2.gz ZBIFZEOTLJMQRS-YJSIEXFISA-N 3 1 371.569 3.165 10 0 FGAEMP [NH3+]C[C@@H]1C[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)C[C@H]1c1ccccc1 ZINC000262124883 497511587 /nfs/dbraw/zinc/51/15/87/497511587.db2.gz MWEPXMUVNVKYCW-APWZRJJASA-N 2 1 368.431 3.325 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)C[C@H]1c1ccccc1 ZINC000262124883 497511592 /nfs/dbraw/zinc/51/15/92/497511592.db2.gz MWEPXMUVNVKYCW-APWZRJJASA-N 2 1 368.431 3.325 10 0 FGAEMP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245900871 497564165 /nfs/dbraw/zinc/56/41/65/497564165.db2.gz AWGOAFAQWGHZTP-WBVHZDCISA-N 2 1 356.470 3.000 10 0 FGAEMP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245900871 497564170 /nfs/dbraw/zinc/56/41/70/497564170.db2.gz AWGOAFAQWGHZTP-WBVHZDCISA-N 2 1 356.470 3.000 10 0 FGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)CCC1CC[NH2+]CC1 ZINC000263310796 497755280 /nfs/dbraw/zinc/75/52/80/497755280.db2.gz YOWGRFWBTZVGGQ-MOJGAOKDSA-N 2 1 371.569 3.381 10 0 FGAEMP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905548 498762542 /nfs/dbraw/zinc/76/25/42/498762542.db2.gz JYSDHSMORICZEZ-RTWAWAEBSA-N 2 1 372.509 3.049 10 0 FGAEMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784924 700505298 /nfs/dbraw/zinc/50/52/98/700505298.db2.gz BLKYQLOUDOBMOV-SJORKVTESA-N 2 1 353.551 3.486 10 0 FGAEMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784924 700505302 /nfs/dbraw/zinc/50/53/02/700505302.db2.gz BLKYQLOUDOBMOV-SJORKVTESA-N 2 1 353.551 3.486 10 0 FGAEMP CC[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CCCN(CCc2ccccc2)C3=O)CC1 ZINC000012430688 207373823 /nfs/dbraw/zinc/37/38/23/207373823.db2.gz NWLNORLLVQVYJP-HSZRJFAPSA-N 2 1 369.553 3.028 10 0 FGAEMP CC[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCN(CCc2ccccc2)C3=O)CC1 ZINC000012430688 207373828 /nfs/dbraw/zinc/37/38/28/207373828.db2.gz NWLNORLLVQVYJP-HSZRJFAPSA-N 2 1 369.553 3.028 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)N(C)c3ccccc3)C2)[nH+]1 ZINC000135092043 495250478 /nfs/dbraw/zinc/25/04/78/495250478.db2.gz GOHSFVGESJMXGZ-GOSISDBHSA-N 2 1 352.482 3.177 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)N(C)c3ccccc3)C2)[nH+]1 ZINC000135092043 495250483 /nfs/dbraw/zinc/25/04/83/495250483.db2.gz GOHSFVGESJMXGZ-GOSISDBHSA-N 2 1 352.482 3.177 10 0 FGAEMP Cc1cc(C)n(-c2ccc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc2)n1 ZINC000106124868 495416818 /nfs/dbraw/zinc/41/68/18/495416818.db2.gz PZWKTOKHUXOEKT-LJQANCHMSA-N 2 1 370.541 3.014 10 0 FGAEMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000182584405 495624283 /nfs/dbraw/zinc/62/42/83/495624283.db2.gz DFTKVMVGUCUKQK-IBGZPJMESA-N 2 1 352.567 3.014 10 0 FGAEMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171648654 495969264 /nfs/dbraw/zinc/96/92/64/495969264.db2.gz NDVJOYQEOFBDOO-UXHICEINSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171648654 495969270 /nfs/dbraw/zinc/96/92/70/495969270.db2.gz NDVJOYQEOFBDOO-UXHICEINSA-N 2 1 369.509 3.181 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000178295480 496402922 /nfs/dbraw/zinc/40/29/22/496402922.db2.gz GSGWIKZMINQQHP-LPHOPBHVSA-N 2 1 352.482 3.024 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000178295480 496402924 /nfs/dbraw/zinc/40/29/24/496402924.db2.gz GSGWIKZMINQQHP-LPHOPBHVSA-N 2 1 352.482 3.024 10 0 FGAEMP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178328372 496415518 /nfs/dbraw/zinc/41/55/18/496415518.db2.gz CMMUBDLKUUCKDS-WMLDXEAASA-N 2 1 358.511 3.405 10 0 FGAEMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178328372 496415522 /nfs/dbraw/zinc/41/55/22/496415522.db2.gz CMMUBDLKUUCKDS-WMLDXEAASA-N 2 1 358.511 3.405 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000175778558 496541629 /nfs/dbraw/zinc/54/16/29/496541629.db2.gz ACIZXKQQSRDJDO-QZTJIDSGSA-N 2 1 358.873 3.115 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000175778558 496541632 /nfs/dbraw/zinc/54/16/32/496541632.db2.gz ACIZXKQQSRDJDO-QZTJIDSGSA-N 2 1 358.873 3.115 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000176021221 496646524 /nfs/dbraw/zinc/64/65/24/496646524.db2.gz ULGRNFMPBLBENV-IBGZPJMESA-N 2 1 373.545 3.199 10 0 FGAEMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195283115 496874811 /nfs/dbraw/zinc/87/48/11/496874811.db2.gz YSMABDHOMFLQIC-FQEVSTJZSA-N 2 1 366.509 3.173 10 0 FGAEMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195283115 496874819 /nfs/dbraw/zinc/87/48/19/496874819.db2.gz YSMABDHOMFLQIC-FQEVSTJZSA-N 2 1 366.509 3.173 10 0 FGAEMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195283115 496874823 /nfs/dbraw/zinc/87/48/23/496874823.db2.gz YSMABDHOMFLQIC-FQEVSTJZSA-N 2 1 366.509 3.173 10 0 FGAEMP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195283115 496874828 /nfs/dbraw/zinc/87/48/28/496874828.db2.gz YSMABDHOMFLQIC-FQEVSTJZSA-N 2 1 366.509 3.173 10 0 FGAEMP Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000193285479 497341982 /nfs/dbraw/zinc/34/19/82/497341982.db2.gz JVUUCMVRXQMZOG-ROUUACIJSA-N 2 1 369.509 3.408 10 0 FGAEMP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000245417665 497396092 /nfs/dbraw/zinc/39/60/92/497396092.db2.gz KFMIECBZRQKNDG-ZWKOTPCHSA-N 2 1 366.575 3.257 10 0 FGAEMP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000261691727 497434091 /nfs/dbraw/zinc/43/40/91/497434091.db2.gz JBJJVMHQJACBAZ-HQEOYTPBSA-N 2 1 369.484 3.066 10 0 FGAEMP C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000261691727 497434096 /nfs/dbraw/zinc/43/40/96/497434096.db2.gz JBJJVMHQJACBAZ-HQEOYTPBSA-N 2 1 369.484 3.066 10 0 FGAEMP C[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000261748352 497443880 /nfs/dbraw/zinc/44/38/80/497443880.db2.gz NDOCACKNLMMAPK-CVAIRZPRSA-N 2 1 371.912 3.192 10 0 FGAEMP C[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000261748352 497443887 /nfs/dbraw/zinc/44/38/87/497443887.db2.gz NDOCACKNLMMAPK-CVAIRZPRSA-N 2 1 371.912 3.192 10 0 FGAEMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261952260 497482440 /nfs/dbraw/zinc/48/24/40/497482440.db2.gz OMWNGSACXDMGPN-YTFSRNRJSA-N 3 1 371.569 3.165 10 0 FGAEMP Brc1cccc(N[C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000262048871 497499388 /nfs/dbraw/zinc/49/93/88/497499388.db2.gz ZJZJBHIQYKLUHW-RHSMWYFYSA-N 2 1 352.320 3.325 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N(C)[C@H]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000246182004 497650650 /nfs/dbraw/zinc/65/06/50/497650650.db2.gz UVQXICNRTTZDOE-WDSOQIARSA-N 2 1 358.530 3.161 10 0 FGAEMP COCC[N@@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@H]1C ZINC000301798307 498268648 /nfs/dbraw/zinc/26/86/48/498268648.db2.gz RACBGDQCRYUXQY-CYBMUJFWSA-N 2 1 353.388 3.411 10 0 FGAEMP COCC[N@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@H]1C ZINC000301798307 498268655 /nfs/dbraw/zinc/26/86/55/498268655.db2.gz RACBGDQCRYUXQY-CYBMUJFWSA-N 2 1 353.388 3.411 10 0 FGAEMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000373358284 499465242 /nfs/dbraw/zinc/46/52/42/499465242.db2.gz JBTLRTOGAGTLGQ-CIQAELJKSA-N 2 1 351.535 3.237 10 0 FGAEMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000373358284 499465243 /nfs/dbraw/zinc/46/52/43/499465243.db2.gz JBTLRTOGAGTLGQ-CIQAELJKSA-N 2 1 351.535 3.237 10 0 FGAEMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000236961474 713586414 /nfs/dbraw/zinc/58/64/14/713586414.db2.gz YULZRICGFMQNAK-SJKOYZFVSA-N 2 1 372.340 3.447 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000247195436 713636840 /nfs/dbraw/zinc/63/68/40/713636840.db2.gz UGTLTOSIBPLYBN-QZTJIDSGSA-N 2 1 353.551 3.488 10 0 FGAEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000122226279 494942488 /nfs/dbraw/zinc/94/24/88/494942488.db2.gz KLIPWSNPWPOPTH-ZWKOTPCHSA-N 2 1 369.513 3.210 10 0 FGAEMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000118545630 495008185 /nfs/dbraw/zinc/00/81/85/495008185.db2.gz IKOLBUPMDRXNAX-LJQANCHMSA-N 2 1 374.529 3.109 10 0 FGAEMP CC(C)c1noc([C@@H](C)[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000112550107 495204215 /nfs/dbraw/zinc/20/42/15/495204215.db2.gz FUHCAHXRRJDJMJ-VQIMIIECSA-N 2 1 372.513 3.289 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)ccc2Br)CC1 ZINC000106124418 495416897 /nfs/dbraw/zinc/41/68/97/495416897.db2.gz QGCKKKHZCBUUOS-ZDUSSCGKSA-N 2 1 373.310 3.113 10 0 FGAEMP CC[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH+]1CCOC ZINC000120950936 495491013 /nfs/dbraw/zinc/49/10/13/495491013.db2.gz ZXEZLYKAUIRNMN-OAQYLSRUSA-N 2 1 361.574 3.187 10 0 FGAEMP CC[C@@H]1CN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@@H+]1CCOC ZINC000120950936 495491015 /nfs/dbraw/zinc/49/10/15/495491015.db2.gz ZXEZLYKAUIRNMN-OAQYLSRUSA-N 2 1 361.574 3.187 10 0 FGAEMP CC[C@@H]1CN(CC(C)(C)C[NH+](C)Cc2ccccc2)CC[N@H+]1CCOC ZINC000120950936 495491016 /nfs/dbraw/zinc/49/10/16/495491016.db2.gz ZXEZLYKAUIRNMN-OAQYLSRUSA-N 2 1 361.574 3.187 10 0 FGAEMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000173950496 495759644 /nfs/dbraw/zinc/75/96/44/495759644.db2.gz BDIYKDAMLXSIHD-MOPGFXCFSA-N 2 1 354.922 3.024 10 0 FGAEMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000173950496 495759650 /nfs/dbraw/zinc/75/96/50/495759650.db2.gz BDIYKDAMLXSIHD-MOPGFXCFSA-N 2 1 354.922 3.024 10 0 FGAEMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000173950496 495759655 /nfs/dbraw/zinc/75/96/55/495759655.db2.gz BDIYKDAMLXSIHD-MOPGFXCFSA-N 2 1 354.922 3.024 10 0 FGAEMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000171279133 495802423 /nfs/dbraw/zinc/80/24/23/495802423.db2.gz VOUIWKXRYQRMNS-JOCHJYFZSA-N 2 1 363.505 3.239 10 0 FGAEMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000171279133 495802427 /nfs/dbraw/zinc/80/24/27/495802427.db2.gz VOUIWKXRYQRMNS-JOCHJYFZSA-N 2 1 363.505 3.239 10 0 FGAEMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000171279133 495802432 /nfs/dbraw/zinc/80/24/32/495802432.db2.gz VOUIWKXRYQRMNS-JOCHJYFZSA-N 2 1 363.505 3.239 10 0 FGAEMP CCC[C@@H](C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)c1ccccc1 ZINC000180090146 495854995 /nfs/dbraw/zinc/85/49/95/495854995.db2.gz LKRJUCXZDPVJNY-XZOQPEGZSA-N 2 1 373.585 3.297 10 0 FGAEMP CCC[C@H](C(=O)Nc1cccc(CN(C)Cc2cscn2)c1)N(C)C ZINC000155311846 495915297 /nfs/dbraw/zinc/91/52/97/495915297.db2.gz VKVDXVTWAHHJDD-GOSISDBHSA-N 2 1 360.527 3.444 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C3CC3)C3CCCC3)C2)[nH+]1 ZINC000171649122 495968902 /nfs/dbraw/zinc/96/89/02/495968902.db2.gz OKNILUWLJGIAAX-QGZVFWFLSA-N 2 1 356.514 3.057 10 0 FGAEMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C12CCOCC2 ZINC000186498813 496021230 /nfs/dbraw/zinc/02/12/30/496021230.db2.gz XJWOIIRLVHRXER-KVPLUYHFSA-N 2 1 350.547 3.203 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000153261351 496401682 /nfs/dbraw/zinc/40/16/82/496401682.db2.gz VYIBPCNOFZMXCP-IRXDYDNUSA-N 2 1 363.550 3.158 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000178311166 496407853 /nfs/dbraw/zinc/40/78/53/496407853.db2.gz RQEQMCBSSMWZMD-HNNXBMFYSA-N 2 1 364.852 3.477 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000178311166 496407859 /nfs/dbraw/zinc/40/78/59/496407859.db2.gz RQEQMCBSSMWZMD-HNNXBMFYSA-N 2 1 364.852 3.477 10 0 FGAEMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000157824194 496563917 /nfs/dbraw/zinc/56/39/17/496563917.db2.gz ZTGZRMSTDZBQIA-PXNSSMCTSA-N 2 1 360.546 3.055 10 0 FGAEMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000157824194 496563922 /nfs/dbraw/zinc/56/39/22/496563922.db2.gz ZTGZRMSTDZBQIA-PXNSSMCTSA-N 2 1 360.546 3.055 10 0 FGAEMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000157824194 496563925 /nfs/dbraw/zinc/56/39/25/496563925.db2.gz ZTGZRMSTDZBQIA-PXNSSMCTSA-N 2 1 360.546 3.055 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000246968098 496738466 /nfs/dbraw/zinc/73/84/66/496738466.db2.gz IZZAQURTWHPSGE-KDOFPFPSSA-N 2 1 360.889 3.014 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000246968098 496738474 /nfs/dbraw/zinc/73/84/74/496738474.db2.gz IZZAQURTWHPSGE-KDOFPFPSSA-N 2 1 360.889 3.014 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000247175815 496799401 /nfs/dbraw/zinc/79/94/01/496799401.db2.gz VPSKWZFGFULJFD-SCTDSRPQSA-N 2 1 354.498 3.230 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000247175815 496799406 /nfs/dbraw/zinc/79/94/06/496799406.db2.gz VPSKWZFGFULJFD-SCTDSRPQSA-N 2 1 354.498 3.230 10 0 FGAEMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000195131897 496829703 /nfs/dbraw/zinc/82/97/03/496829703.db2.gz TXKGGQUYWVMWPS-PCCBWWKXSA-N 2 1 358.526 3.072 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1c1ccccc1 ZINC000261811024 497455163 /nfs/dbraw/zinc/45/51/63/497455163.db2.gz WVCCASMZNQBBSE-CTNGQTDRSA-N 2 1 360.461 3.443 10 0 FGAEMP c1ccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cn2)cc1 ZINC000261897978 497470670 /nfs/dbraw/zinc/47/06/70/497470670.db2.gz HHWGHXZKFCXDFH-ZCNNSNEGSA-N 2 1 353.466 3.121 10 0 FGAEMP c1ccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)cn2)cc1 ZINC000261897975 497471093 /nfs/dbraw/zinc/47/10/93/497471093.db2.gz HHWGHXZKFCXDFH-AQNXPRMDSA-N 2 1 353.466 3.121 10 0 FGAEMP COc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CCCC2)c1 ZINC000262004274 497491219 /nfs/dbraw/zinc/49/12/19/497491219.db2.gz UVPDTCWPSOXUER-NJYVYQBISA-N 2 1 358.526 3.254 10 0 FGAEMP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000245958174 497584631 /nfs/dbraw/zinc/58/46/31/497584631.db2.gz RHBSJRDXZBMIOR-YJBOKZPZSA-N 2 1 356.470 3.082 10 0 FGAEMP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000245958174 497584635 /nfs/dbraw/zinc/58/46/35/497584635.db2.gz RHBSJRDXZBMIOR-YJBOKZPZSA-N 2 1 356.470 3.082 10 0 FGAEMP CC[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247217337 713637172 /nfs/dbraw/zinc/63/71/72/713637172.db2.gz WESNIGJJSIHZDH-XWDNEUNKSA-N 2 1 351.535 3.237 10 0 FGAEMP COc1ccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(OC)c1OC ZINC000092813116 494759331 /nfs/dbraw/zinc/75/93/31/494759331.db2.gz VQTRFTHIHQSQNE-MRXNPFEDSA-N 2 1 371.481 3.350 10 0 FGAEMP CN(c1ccccc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000131904800 494770415 /nfs/dbraw/zinc/77/04/15/494770415.db2.gz RECLQHRBKAXHNG-JOCHJYFZSA-N 2 1 367.541 3.288 10 0 FGAEMP Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000154547687 495651218 /nfs/dbraw/zinc/65/12/18/495651218.db2.gz SATUZOKLARRFHZ-DOTOQJQBSA-N 2 1 363.465 3.231 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000154547687 495651223 /nfs/dbraw/zinc/65/12/23/495651223.db2.gz SATUZOKLARRFHZ-DOTOQJQBSA-N 2 1 363.465 3.231 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C3CCCCC3)C2)[nH+]1 ZINC000151117593 495743749 /nfs/dbraw/zinc/74/37/49/495743749.db2.gz MJYWKWJWWDRWBG-ZWKOTPCHSA-N 2 1 358.530 3.303 10 0 FGAEMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000151328809 495806486 /nfs/dbraw/zinc/80/64/86/495806486.db2.gz QVURCFQXTNSJOD-SJORKVTESA-N 2 1 355.320 3.337 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2c(F)cccc2Br)CC1 ZINC000180477858 496012695 /nfs/dbraw/zinc/01/26/95/496012695.db2.gz PUTNENJAUGLKKU-CYBMUJFWSA-N 2 1 373.310 3.113 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2c(F)cccc2Br)CC1 ZINC000180477858 496012702 /nfs/dbraw/zinc/01/27/02/496012702.db2.gz PUTNENJAUGLKKU-CYBMUJFWSA-N 2 1 373.310 3.113 10 0 FGAEMP Cc1cnc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)s1 ZINC000180477950 496012637 /nfs/dbraw/zinc/01/26/37/496012637.db2.gz BNYFJKDGFFHROP-LJQANCHMSA-N 2 1 359.539 3.329 10 0 FGAEMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000156732771 496321701 /nfs/dbraw/zinc/32/17/01/496321701.db2.gz FGMFGGMTSHRDCG-FXAWDEMLSA-N 2 1 360.546 3.056 10 0 FGAEMP Cc1ncsc1CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000172535643 496331683 /nfs/dbraw/zinc/33/16/83/496331683.db2.gz ULQMJHSTZGUCQN-HXUWFJFHSA-N 2 1 373.566 3.371 10 0 FGAEMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178291025 496401694 /nfs/dbraw/zinc/40/16/94/496401694.db2.gz XHSRQDUSLRXVEZ-XGHQBKJUSA-N 2 1 368.525 3.484 10 0 FGAEMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178291025 496401697 /nfs/dbraw/zinc/40/16/97/496401697.db2.gz XHSRQDUSLRXVEZ-XGHQBKJUSA-N 2 1 368.525 3.484 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000178297882 496404458 /nfs/dbraw/zinc/40/44/58/496404458.db2.gz UIVAJZKTFVFZDN-HXUWFJFHSA-N 2 1 368.525 3.483 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000178297882 496404462 /nfs/dbraw/zinc/40/44/62/496404462.db2.gz UIVAJZKTFVFZDN-HXUWFJFHSA-N 2 1 368.525 3.483 10 0 FGAEMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178307698 496406554 /nfs/dbraw/zinc/40/65/54/496406554.db2.gz OHIVSDJZZGZGJW-SJLPKXTDSA-N 2 1 372.538 3.253 10 0 FGAEMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178307698 496406559 /nfs/dbraw/zinc/40/65/59/496406559.db2.gz OHIVSDJZZGZGJW-SJLPKXTDSA-N 2 1 372.538 3.253 10 0 FGAEMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1OCC ZINC000178609855 496515031 /nfs/dbraw/zinc/51/50/31/496515031.db2.gz PGQLAROPXQIYRW-KRWDZBQOSA-N 2 1 364.530 3.009 10 0 FGAEMP Cc1cnn([C@H]2CCC[NH+](CCC[N@H+]3CCC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000158000810 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353.388 3.145 10 0 FGAEMP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@@H]1C ZINC000124715203 495331952 /nfs/dbraw/zinc/33/19/52/495331952.db2.gz YKORLMLDUSTFJA-QWHCGFSZSA-N 2 1 353.388 3.145 10 0 FGAEMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186040063 495832700 /nfs/dbraw/zinc/83/27/00/495832700.db2.gz ZWZPZEBSUJWSIT-KSZLIROESA-N 2 1 362.518 3.207 10 0 FGAEMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186040063 495832705 /nfs/dbraw/zinc/83/27/05/495832705.db2.gz ZWZPZEBSUJWSIT-KSZLIROESA-N 2 1 362.518 3.207 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N(C)[C@@H]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000171649200 495968355 /nfs/dbraw/zinc/96/83/55/495968355.db2.gz UVQXICNRTTZDOE-YTQUADARSA-N 2 1 358.530 3.161 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N(C)C3CCC(C)CC3)C2)[nH+]1 ZINC000171651763 495970534 /nfs/dbraw/zinc/97/05/34/495970534.db2.gz HODPEKJYNNEUJW-AVAKVYKDSA-N 2 1 358.530 3.161 10 0 FGAEMP 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C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc3c1OCO3)CC2 ZINC000275742292 497419693 /nfs/dbraw/zinc/41/96/93/497419693.db2.gz PUKSYCKGUAIUFM-QGZVFWFLSA-N 2 1 371.506 3.358 10 0 FGAEMP Clc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000262046116 497499138 /nfs/dbraw/zinc/49/91/38/497499138.db2.gz ZCTAGZKOUNDXLO-ISARSNTHSA-N 2 1 363.933 3.056 10 0 FGAEMP CCOCC[N@H+]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000245726416 497518174 /nfs/dbraw/zinc/51/81/74/497518174.db2.gz IWJGMMRFUUQEGA-HXUWFJFHSA-N 2 1 361.574 3.187 10 0 FGAEMP CCOCC[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000245726416 497518181 /nfs/dbraw/zinc/51/81/81/497518181.db2.gz IWJGMMRFUUQEGA-HXUWFJFHSA-N 2 1 361.574 3.187 10 0 FGAEMP CCOCC[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000245726416 497518187 /nfs/dbraw/zinc/51/81/87/497518187.db2.gz IWJGMMRFUUQEGA-HXUWFJFHSA-N 2 1 361.574 3.187 10 0 FGAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262313874 497538367 /nfs/dbraw/zinc/53/83/67/497538367.db2.gz TZXOAXUHGOCJDM-IIMDRIAPSA-N 2 1 357.542 3.298 10 0 FGAEMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246143764 497635824 /nfs/dbraw/zinc/63/58/24/497635824.db2.gz ODVZHDVKYCHVER-GBESFXJTSA-N 2 1 358.530 3.303 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)N3CCc4ccccc43)C2)[nH+]1 ZINC000246174769 497647212 /nfs/dbraw/zinc/64/72/12/497647212.db2.gz TZZDBOXCZAPZPT-QZTJIDSGSA-N 2 1 364.493 3.102 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000246842226 497815470 /nfs/dbraw/zinc/81/54/70/497815470.db2.gz VGGNJMLXQLMXCG-IRXDYDNUSA-N 2 1 367.415 3.278 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000246842226 497815471 /nfs/dbraw/zinc/81/54/71/497815471.db2.gz VGGNJMLXQLMXCG-IRXDYDNUSA-N 2 1 367.415 3.278 10 0 FGAEMP Cc1nc2c(c(NCc3ccccc3C[N@H+]3CCC[C@@H]3CO)n1)CCCC2 ZINC000302076286 257383681 /nfs/dbraw/zinc/38/36/81/257383681.db2.gz HFRZJCUOPNPHJJ-LJQANCHMSA-N 2 1 366.509 3.233 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(-c3cccnc3)c2)CC1 ZINC000121106385 494598894 /nfs/dbraw/zinc/59/88/94/494598894.db2.gz GFQVXKZCKZUSSD-SFHVURJKSA-N 2 1 353.510 3.273 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000121142439 494615937 /nfs/dbraw/zinc/61/59/37/494615937.db2.gz RMELTHZKBMRPFM-CQSZACIVSA-N 2 1 360.420 3.110 10 0 FGAEMP COc1cc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc(OC)c1OC ZINC000092813324 494761282 /nfs/dbraw/zinc/76/12/82/494761282.db2.gz CEEDKNPNBMAVFN-MRXNPFEDSA-N 2 1 371.481 3.350 10 0 FGAEMP Cc1[nH+]ccn1-c1cncc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000092894989 494784412 /nfs/dbraw/zinc/78/44/12/494784412.db2.gz FVCLLTUOAGLIGK-GOSISDBHSA-N 2 1 354.502 3.063 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1ccccc1Br ZINC000127357145 494933263 /nfs/dbraw/zinc/93/32/63/494933263.db2.gz ZWRRWOCNCHVZPZ-OAHLLOKOSA-N 2 1 364.287 3.497 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1ccccc1Br ZINC000127357145 494933266 /nfs/dbraw/zinc/93/32/66/494933266.db2.gz ZWRRWOCNCHVZPZ-OAHLLOKOSA-N 2 1 364.287 3.497 10 0 FGAEMP Cc1nc(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)oc1C ZINC000106126948 495416812 /nfs/dbraw/zinc/41/68/12/495416812.db2.gz BBPLWUOKFKSPTI-FQEVSTJZSA-N 2 1 357.498 3.169 10 0 FGAEMP Cc1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)oc1C ZINC000106126948 495416814 /nfs/dbraw/zinc/41/68/14/495416814.db2.gz BBPLWUOKFKSPTI-FQEVSTJZSA-N 2 1 357.498 3.169 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000106124347 495417697 /nfs/dbraw/zinc/41/76/97/495417697.db2.gz VEPUWFVGAZECOA-HNNXBMFYSA-N 2 1 374.447 3.152 10 0 FGAEMP COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1OC(F)F ZINC000180126223 495868783 /nfs/dbraw/zinc/86/87/83/495868783.db2.gz UUFHSDUUCBLAOS-OAHLLOKOSA-N 2 1 351.397 3.466 10 0 FGAEMP COc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1OC(F)F ZINC000180126223 495868787 /nfs/dbraw/zinc/86/87/87/495868787.db2.gz UUFHSDUUCBLAOS-OAHLLOKOSA-N 2 1 351.397 3.466 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000177150884 495950798 /nfs/dbraw/zinc/95/07/98/495950798.db2.gz YWHGYLZRGUFHGK-HXUWFJFHSA-N 2 1 352.482 3.092 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N3CCc4ccccc43)C2)[nH+]1 ZINC000171652429 495971938 /nfs/dbraw/zinc/97/19/38/495971938.db2.gz TZZDBOXCZAPZPT-ROUUACIJSA-N 2 1 364.493 3.102 10 0 FGAEMP CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc[nH+]c3CC)C2)CC1 ZINC000152675065 496222966 /nfs/dbraw/zinc/22/29/66/496222966.db2.gz ALUXRKUZFUAPTP-GOSISDBHSA-N 2 1 361.534 3.057 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000247067367 496770249 /nfs/dbraw/zinc/77/02/49/496770249.db2.gz OJVOKONRMRKWMV-MJGOQNOKSA-N 2 1 361.534 3.020 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000247067367 496770253 /nfs/dbraw/zinc/77/02/53/496770253.db2.gz OJVOKONRMRKWMV-MJGOQNOKSA-N 2 1 361.534 3.020 10 0 FGAEMP Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000249349589 497193689 /nfs/dbraw/zinc/19/36/89/497193689.db2.gz VYDACRDMHZWNNK-SCTDSRPQSA-N 2 1 355.482 3.018 10 0 FGAEMP Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000249349589 497193696 /nfs/dbraw/zinc/19/36/96/497193696.db2.gz VYDACRDMHZWNNK-SCTDSRPQSA-N 2 1 355.482 3.018 10 0 FGAEMP [NH3+]Cc1nc(CN(Cc2ccccc2C(F)(F)F)C2CCCC2)no1 ZINC000261623549 497421644 /nfs/dbraw/zinc/42/16/44/497421644.db2.gz DDYKEOYNZAFUTL-UHFFFAOYSA-N 2 1 354.376 3.492 10 0 FGAEMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261859137 497464330 /nfs/dbraw/zinc/46/43/30/497464330.db2.gz BZSCSGIEYCIBTG-ZCNNSNEGSA-N 2 1 371.456 3.260 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000245930319 497576804 /nfs/dbraw/zinc/57/68/04/497576804.db2.gz IYKMEZZHWKDFEP-BPQIPLTHSA-N 2 1 372.538 3.470 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000245930319 497576808 /nfs/dbraw/zinc/57/68/08/497576808.db2.gz IYKMEZZHWKDFEP-BPQIPLTHSA-N 2 1 372.538 3.470 10 0 FGAEMP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000245958166 497583929 /nfs/dbraw/zinc/58/39/29/497583929.db2.gz RHBSJRDXZBMIOR-QAPCUYQASA-N 2 1 356.470 3.082 10 0 FGAEMP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000245958166 497583933 /nfs/dbraw/zinc/58/39/33/497583933.db2.gz RHBSJRDXZBMIOR-QAPCUYQASA-N 2 1 356.470 3.082 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000245981326 497588292 /nfs/dbraw/zinc/58/82/92/497588292.db2.gz YLCHYHLWYGFSPQ-HLIPFELVSA-N 2 1 366.509 3.412 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000245981326 497588294 /nfs/dbraw/zinc/58/82/94/497588294.db2.gz YLCHYHLWYGFSPQ-HLIPFELVSA-N 2 1 366.509 3.412 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NCc3ccccc3C)C2)[nH+]1 ZINC000246143797 497636150 /nfs/dbraw/zinc/63/61/50/497636150.db2.gz ODZCOVNWMZDVQL-OALUTQOASA-N 2 1 366.509 3.137 10 0 FGAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000246640979 497792998 /nfs/dbraw/zinc/79/29/98/497792998.db2.gz JOJUHOHFECDMAN-AZUAARDMSA-N 2 1 364.578 3.013 10 0 FGAEMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261865669 713715450 /nfs/dbraw/zinc/71/54/50/713715450.db2.gz CPQLYLSHVWKMHT-BRWVUGGUSA-N 2 1 353.304 3.004 10 0 FGAEMP CC[NH+]1CCC([N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)CC1 ZINC000020207151 220318506 /nfs/dbraw/zinc/31/85/06/220318506.db2.gz CTRPDSVIASVSBL-QHCPKHFHSA-N 2 1 369.553 3.294 10 0 FGAEMP CC[NH+]1CCC([N@H+]2CC[C@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)CC1 ZINC000020207151 220318508 /nfs/dbraw/zinc/31/85/08/220318508.db2.gz CTRPDSVIASVSBL-QHCPKHFHSA-N 2 1 369.553 3.294 10 0 FGAEMP COc1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc2c1OCCO2 ZINC000092813133 494758956 /nfs/dbraw/zinc/75/89/56/494758956.db2.gz GJBFQSMBBQMNGZ-INIZCTEOSA-N 2 1 369.465 3.104 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)NCC3CCCCC3)C2)[nH+]1 ZINC000109004719 494819990 /nfs/dbraw/zinc/81/99/90/494819990.db2.gz HEJRCOXDJPQFNM-IBGZPJMESA-N 2 1 358.530 3.210 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)NCC3CCCCC3)C2)[nH+]1 ZINC000109004719 494819995 /nfs/dbraw/zinc/81/99/95/494819995.db2.gz HEJRCOXDJPQFNM-IBGZPJMESA-N 2 1 358.530 3.210 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000106216938 495434044 /nfs/dbraw/zinc/43/40/44/495434044.db2.gz MNNROAXVLLYDFW-WMZOPIPTSA-N 2 1 352.482 3.060 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000106216938 495434046 /nfs/dbraw/zinc/43/40/46/495434046.db2.gz MNNROAXVLLYDFW-WMZOPIPTSA-N 2 1 352.482 3.060 10 0 FGAEMP CCOCC[N@H+]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000120889211 495478576 /nfs/dbraw/zinc/47/85/76/495478576.db2.gz IWJGMMRFUUQEGA-FQEVSTJZSA-N 2 1 361.574 3.187 10 0 FGAEMP CCOCC[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000120889211 495478579 /nfs/dbraw/zinc/47/85/79/495478579.db2.gz IWJGMMRFUUQEGA-FQEVSTJZSA-N 2 1 361.574 3.187 10 0 FGAEMP CCOCC[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000120889211 495478582 /nfs/dbraw/zinc/47/85/82/495478582.db2.gz IWJGMMRFUUQEGA-FQEVSTJZSA-N 2 1 361.574 3.187 10 0 FGAEMP COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154557888 495654124 /nfs/dbraw/zinc/65/41/24/495654124.db2.gz AWGOAFAQWGHZTP-DOTOQJQBSA-N 2 1 356.470 3.000 10 0 FGAEMP COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154557888 495654129 /nfs/dbraw/zinc/65/41/29/495654129.db2.gz AWGOAFAQWGHZTP-DOTOQJQBSA-N 2 1 356.470 3.000 10 0 FGAEMP C[N@H+](Cc1ccc(CO)cc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000182752729 495689299 /nfs/dbraw/zinc/68/92/99/495689299.db2.gz KFIJFCAILLLLOY-QHCPKHFHSA-N 2 1 368.521 3.056 10 0 FGAEMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCOCC2 ZINC000186195577 495892556 /nfs/dbraw/zinc/89/25/56/495892556.db2.gz SSFLMFHEGNWMJD-LEWJYISDSA-N 2 1 358.526 3.215 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000177389349 496042574 /nfs/dbraw/zinc/04/25/74/496042574.db2.gz MBYAWMAKJRYSIW-NRFANRHFSA-N 2 1 372.557 3.085 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000178288160 496400151 /nfs/dbraw/zinc/40/01/51/496400151.db2.gz VGXWLQMKFAFREU-QZTJIDSGSA-N 2 1 358.873 3.115 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000178288160 496400154 /nfs/dbraw/zinc/40/01/54/496400154.db2.gz VGXWLQMKFAFREU-QZTJIDSGSA-N 2 1 358.873 3.115 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000178298134 496403594 /nfs/dbraw/zinc/40/35/94/496403594.db2.gz PNCMPTOSGIPHHB-SFHVURJKSA-N 2 1 351.454 3.339 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000178298134 496403598 /nfs/dbraw/zinc/40/35/98/496403598.db2.gz PNCMPTOSGIPHHB-SFHVURJKSA-N 2 1 351.454 3.339 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)[nH+]1 ZINC000181712905 496513524 /nfs/dbraw/zinc/51/35/24/496513524.db2.gz UWEOLAVUAVFDIQ-IBGZPJMESA-N 2 1 372.557 3.409 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)[nH+]1 ZINC000181712905 496513527 /nfs/dbraw/zinc/51/35/27/496513527.db2.gz UWEOLAVUAVFDIQ-IBGZPJMESA-N 2 1 372.557 3.409 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000175805978 496553163 /nfs/dbraw/zinc/55/31/63/496553163.db2.gz OJVOKONRMRKWMV-PKOBYXMFSA-N 2 1 361.534 3.020 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000175805978 496553164 /nfs/dbraw/zinc/55/31/64/496553164.db2.gz OJVOKONRMRKWMV-PKOBYXMFSA-N 2 1 361.534 3.020 10 0 FGAEMP COc1ccc(C[C@H](C)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000185247110 496717082 /nfs/dbraw/zinc/71/70/82/496717082.db2.gz NCCQCLQPXXZSDZ-DLBZAZTESA-N 2 1 366.521 3.038 10 0 FGAEMP 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CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188653675 712774683 /nfs/dbraw/zinc/77/46/83/712774683.db2.gz MCRIBBQTJBSECV-OKZBNKHCSA-N 2 1 353.551 3.486 10 0 FGAEMP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261865666 713715496 /nfs/dbraw/zinc/71/54/96/713715496.db2.gz CPQLYLSHVWKMHT-BBWFWOEESA-N 2 1 353.304 3.004 10 0 FGAEMP C[NH+](C)C1(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCCC1 ZINC000304975654 713792076 /nfs/dbraw/zinc/79/20/76/713792076.db2.gz BHBALFRZJDKVIU-KRWDZBQOSA-N 2 1 353.551 3.488 10 0 FGAEMP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3[nH]c4ccc(OC)cc4c3C)C2)C1 ZINC000014955308 212017138 /nfs/dbraw/zinc/01/71/38/212017138.db2.gz AMDOOLSFTWFMDV-JOCHJYFZSA-N 2 1 371.525 3.419 10 0 FGAEMP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3[nH]c4ccc(OC)cc4c3C)C2)C1 ZINC000014955308 212017141 /nfs/dbraw/zinc/01/71/41/212017141.db2.gz AMDOOLSFTWFMDV-JOCHJYFZSA-N 2 1 371.525 3.419 10 0 FGAEMP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3[nH]c4ccc(OC)cc4c3C)C2)C1 ZINC000014955308 212017142 /nfs/dbraw/zinc/01/71/42/212017142.db2.gz AMDOOLSFTWFMDV-JOCHJYFZSA-N 2 1 371.525 3.419 10 0 FGAEMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3[nH]c4ccc(OC)cc4c3C)C2)C1 ZINC000014955308 212017145 /nfs/dbraw/zinc/01/71/45/212017145.db2.gz AMDOOLSFTWFMDV-JOCHJYFZSA-N 2 1 371.525 3.419 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000121145014 494615637 /nfs/dbraw/zinc/61/56/37/494615637.db2.gz BNBDYDCFQZDTSC-AWEZNQCLSA-N 2 1 360.420 3.110 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)N(C)c3ccccc3)C2)[nH+]1 ZINC000135092023 495250567 /nfs/dbraw/zinc/25/05/67/495250567.db2.gz GOHSFVGESJMXGZ-SFHVURJKSA-N 2 1 352.482 3.177 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)N(C)c3ccccc3)C2)[nH+]1 ZINC000135092023 495250571 /nfs/dbraw/zinc/25/05/71/495250571.db2.gz GOHSFVGESJMXGZ-SFHVURJKSA-N 2 1 352.482 3.177 10 0 FGAEMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000113513779 495307992 /nfs/dbraw/zinc/30/79/92/495307992.db2.gz VRGQJYFJWGBXKZ-KNQAVFIVSA-N 2 1 368.521 3.037 10 0 FGAEMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)COCc3ccccc3)C2)CC1 ZINC000114562694 495392104 /nfs/dbraw/zinc/39/21/04/495392104.db2.gz BEFJWMGUVIKZDB-FGZHOGPDSA-N 2 1 360.542 3.008 10 0 FGAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCC5(CC4)OCCO5)[C@@H]3C2)cc1 ZINC000180158405 495885291 /nfs/dbraw/zinc/88/52/91/495885291.db2.gz YQHKTOFTSLPOTN-TYPHKJRUSA-N 2 1 356.510 3.172 10 0 FGAEMP COc1cccc(NC(=O)CC[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000174766161 496098332 /nfs/dbraw/zinc/09/83/32/496098332.db2.gz NLYWNSUWAYYYJT-QGZVFWFLSA-N 2 1 368.481 3.161 10 0 FGAEMP COc1cccc(NC(=O)CC[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000174766161 496098337 /nfs/dbraw/zinc/09/83/37/496098337.db2.gz NLYWNSUWAYYYJT-QGZVFWFLSA-N 2 1 368.481 3.161 10 0 FGAEMP CCC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000158461476 496706881 /nfs/dbraw/zinc/70/68/81/496706881.db2.gz AZVNXLOOOKFYEX-DLBZAZTESA-N 2 1 371.447 3.126 10 0 FGAEMP 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C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247557704 496888837 /nfs/dbraw/zinc/88/88/37/496888837.db2.gz UIUXHADFJWRBCD-HOJAQTOUSA-N 2 1 367.493 3.196 10 0 FGAEMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H]1c1ccco1 ZINC000247557704 496888841 /nfs/dbraw/zinc/88/88/41/496888841.db2.gz UIUXHADFJWRBCD-HOJAQTOUSA-N 2 1 367.493 3.196 10 0 FGAEMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@H]1c1ccco1 ZINC000247557704 496888845 /nfs/dbraw/zinc/88/88/45/496888845.db2.gz UIUXHADFJWRBCD-HOJAQTOUSA-N 2 1 367.493 3.196 10 0 FGAEMP CCc1nccn1[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000247568921 496891323 /nfs/dbraw/zinc/89/13/23/496891323.db2.gz GYGMVOCZGPNOIY-NVXWUHKLSA-N 2 1 356.470 3.118 10 0 FGAEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C1 ZINC000261928220 497477158 /nfs/dbraw/zinc/47/71/58/497477158.db2.gz LKIZEVFTPHSIIV-MSYGRNIXSA-N 2 1 371.569 3.165 10 0 FGAEMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261928220 497477163 /nfs/dbraw/zinc/47/71/63/497477163.db2.gz LKIZEVFTPHSIIV-MSYGRNIXSA-N 3 1 371.569 3.165 10 0 FGAEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261928220 497477166 /nfs/dbraw/zinc/47/71/66/497477166.db2.gz LKIZEVFTPHSIIV-MSYGRNIXSA-N 3 1 371.569 3.165 10 0 FGAEMP Clc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000262046118 497498884 /nfs/dbraw/zinc/49/88/84/497498884.db2.gz ZCTAGZKOUNDXLO-QFHJOOASSA-N 2 1 363.933 3.056 10 0 FGAEMP C[C@H](CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000263272064 497746487 /nfs/dbraw/zinc/74/64/87/497746487.db2.gz PHDNOAWNDCQCDG-GIVPXCGWSA-N 2 1 357.542 3.183 10 0 FGAEMP O[C@@]12CCCC[C@@H]1C[NH+](CCCC[N@H+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246940581 497821328 /nfs/dbraw/zinc/82/13/28/497821328.db2.gz NOOJQOFXODYPRF-YSFYHYPLSA-N 2 1 364.574 3.021 10 0 FGAEMP O[C@@]12CCCC[C@@H]1C[N@H+](CCCC[NH+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246940581 497821329 /nfs/dbraw/zinc/82/13/29/497821329.db2.gz NOOJQOFXODYPRF-YSFYHYPLSA-N 2 1 364.574 3.021 10 0 FGAEMP O[C@@]12CCCC[C@@H]1C[N@@H+](CCCC[NH+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246940581 497821330 /nfs/dbraw/zinc/82/13/30/497821330.db2.gz NOOJQOFXODYPRF-YSFYHYPLSA-N 2 1 364.574 3.021 10 0 FGAEMP CC[N@H+](C)[C@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C1 ZINC000302778850 498569715 /nfs/dbraw/zinc/56/97/15/498569715.db2.gz QHXXSBCSFGIKDO-INIZCTEOSA-N 2 1 373.570 3.434 10 0 FGAEMP CC[N@@H+](C)[C@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C1 ZINC000302778850 498569720 /nfs/dbraw/zinc/56/97/20/498569720.db2.gz QHXXSBCSFGIKDO-INIZCTEOSA-N 2 1 373.570 3.434 10 0 FGAEMP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905540 498763208 /nfs/dbraw/zinc/76/32/08/498763208.db2.gz JYSDHSMORICZEZ-LEWJYISDSA-N 2 1 372.509 3.049 10 0 FGAEMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301314939 713781862 /nfs/dbraw/zinc/78/18/62/713781862.db2.gz UNLIDADNXHGFTA-MLHJIOFPSA-N 2 1 351.535 3.238 10 0 FGAEMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301314939 713781864 /nfs/dbraw/zinc/78/18/64/713781864.db2.gz UNLIDADNXHGFTA-MLHJIOFPSA-N 2 1 351.535 3.238 10 0 FGAEMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000305462635 713792770 /nfs/dbraw/zinc/79/27/70/713792770.db2.gz CRFCZVLJBHMZIJ-IAGOWNOFSA-N 2 1 353.551 3.486 10 0 FGAEMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000045185986 494404314 /nfs/dbraw/zinc/40/43/14/494404314.db2.gz WHCYSPDSDJIFPW-QUCCMNQESA-N 2 1 360.546 3.101 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCSCc2ccccc2)CC1 ZINC000131833754 494747752 /nfs/dbraw/zinc/74/77/52/494747752.db2.gz AKJDCKQREYONFQ-GOSISDBHSA-N 2 1 350.572 3.335 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)[nH+]1 ZINC000092813168 494757663 /nfs/dbraw/zinc/75/76/63/494757663.db2.gz WEKRELMRQUUDEN-LJQANCHMSA-N 2 1 351.498 3.319 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(N4CCCC4)nc3)C2)[nH+]1 ZINC000092813168 494757668 /nfs/dbraw/zinc/75/76/68/494757668.db2.gz WEKRELMRQUUDEN-LJQANCHMSA-N 2 1 351.498 3.319 10 0 FGAEMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000116561161 494816343 /nfs/dbraw/zinc/81/63/43/494816343.db2.gz QDSBSUKVRMZEAG-GHTZIAJQSA-N 2 1 370.541 3.092 10 0 FGAEMP O[C@H](C[NH+]1CCC(CNc2[nH]c3ccccc3[nH+]2)CC1)c1ccccc1 ZINC000134951145 495229581 /nfs/dbraw/zinc/22/95/81/495229581.db2.gz ZBVBOXXTBUXTBT-HXUWFJFHSA-N 2 1 350.466 3.420 10 0 FGAEMP CC(C)n1ccnc1C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127117 495416740 /nfs/dbraw/zinc/41/67/40/495416740.db2.gz IMYAXOSXGCNMGP-OAQYLSRUSA-N 2 1 370.541 3.341 10 0 FGAEMP CC(C)n1ccnc1C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127117 495416741 /nfs/dbraw/zinc/41/67/41/495416741.db2.gz IMYAXOSXGCNMGP-OAQYLSRUSA-N 2 1 370.541 3.341 10 0 FGAEMP C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182378431 495539547 /nfs/dbraw/zinc/53/95/47/495539547.db2.gz FCRYZILHEAJMTG-DSKINZAPSA-N 2 1 372.557 3.242 10 0 FGAEMP Cc1ccccc1-c1noc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000173885534 495731035 /nfs/dbraw/zinc/73/10/35/495731035.db2.gz ZCCWEAIYZILPSW-IAGOWNOFSA-N 2 1 372.513 3.131 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177184844 495966280 /nfs/dbraw/zinc/96/62/80/495966280.db2.gz LKIRCRZZZQCUNK-RTWAWAEBSA-N 2 1 366.509 3.095 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177184844 495966285 /nfs/dbraw/zinc/96/62/85/495966285.db2.gz LKIRCRZZZQCUNK-RTWAWAEBSA-N 2 1 366.509 3.095 10 0 FGAEMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171871243 496070667 /nfs/dbraw/zinc/07/06/67/496070667.db2.gz HRQQDPCMNJVYDK-OAQYLSRUSA-N 2 1 370.541 3.052 10 0 FGAEMP COC(=O)c1ccccc1CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000187066265 496277617 /nfs/dbraw/zinc/27/76/17/496277617.db2.gz CREWUVPZRMEQPQ-KRWDZBQOSA-N 2 1 353.466 3.153 10 0 FGAEMP COC(=O)c1ccccc1CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000187066265 496277619 /nfs/dbraw/zinc/27/76/19/496277619.db2.gz CREWUVPZRMEQPQ-KRWDZBQOSA-N 2 1 353.466 3.153 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000178312779 496409031 /nfs/dbraw/zinc/40/90/31/496409031.db2.gz MGHIPAAZXZOBGW-YLJYHZDGSA-N 2 1 354.498 3.150 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000178312779 496409041 /nfs/dbraw/zinc/40/90/41/496409041.db2.gz MGHIPAAZXZOBGW-YLJYHZDGSA-N 2 1 354.498 3.150 10 0 FGAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000246969137 496738693 /nfs/dbraw/zinc/73/86/93/496738693.db2.gz FZMAZEFMJODKDK-OPYAIIAOSA-N 2 1 372.557 3.240 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000247028357 496757308 /nfs/dbraw/zinc/75/73/08/496757308.db2.gz MGHIPAAZXZOBGW-PXNSSMCTSA-N 2 1 354.498 3.150 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000247028357 496757314 /nfs/dbraw/zinc/75/73/14/496757314.db2.gz MGHIPAAZXZOBGW-PXNSSMCTSA-N 2 1 354.498 3.150 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000247115407 496782803 /nfs/dbraw/zinc/78/28/03/496782803.db2.gz RKPIMNDZFLBWPQ-CLCXKQKWSA-N 2 1 358.461 3.061 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000247115407 496782806 /nfs/dbraw/zinc/78/28/06/496782806.db2.gz RKPIMNDZFLBWPQ-CLCXKQKWSA-N 2 1 358.461 3.061 10 0 FGAEMP [NH3+][C@H](CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000237859392 497303521 /nfs/dbraw/zinc/30/35/21/497303521.db2.gz NRRXITYCPXHXRA-NHCUHLMSSA-N 2 1 351.494 3.247 10 0 FGAEMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(O)ccc2Br)C[C@H]1c1ccccc1 ZINC000261775533 497447987 /nfs/dbraw/zinc/44/79/87/497447987.db2.gz SQMLDEMHADOQBY-WBVHZDCISA-N 2 1 361.283 3.329 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(O)ccc2Br)C[C@H]1c1ccccc1 ZINC000261775533 497447992 /nfs/dbraw/zinc/44/79/92/497447992.db2.gz SQMLDEMHADOQBY-WBVHZDCISA-N 2 1 361.283 3.329 10 0 FGAEMP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261852594 497462986 /nfs/dbraw/zinc/46/29/86/497462986.db2.gz VMFCNIUDFAJZDL-DBQGFPOUSA-N 2 1 365.521 3.235 10 0 FGAEMP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261852594 497462990 /nfs/dbraw/zinc/46/29/90/497462990.db2.gz VMFCNIUDFAJZDL-DBQGFPOUSA-N 2 1 365.521 3.235 10 0 FGAEMP O[C@@H](C[NH2+]C1CC(c2ccc(Br)cc2)C1)C[NH+]1CCCCC1 ZINC000193990514 497541322 /nfs/dbraw/zinc/54/13/22/497541322.db2.gz LPEAGRYZYCENBX-VJFUWPCTSA-N 2 1 367.331 3.132 10 0 FGAEMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000194331481 497637335 /nfs/dbraw/zinc/63/73/35/497637335.db2.gz NFTRWKRDJZCFDG-QGZVFWFLSA-N 2 1 362.518 3.013 10 0 FGAEMP COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000246340346 497701267 /nfs/dbraw/zinc/70/12/67/497701267.db2.gz OJDRCAWSTGVLQY-LPHOPBHVSA-N 2 1 372.513 3.165 10 0 FGAEMP COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000246340346 497701270 /nfs/dbraw/zinc/70/12/70/497701270.db2.gz OJDRCAWSTGVLQY-LPHOPBHVSA-N 2 1 372.513 3.165 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000246892575 497818997 /nfs/dbraw/zinc/81/89/97/497818997.db2.gz FHMBTIYPDXTCPA-RDTXWAMCSA-N 2 1 360.889 3.187 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000246892575 497818998 /nfs/dbraw/zinc/81/89/98/497818998.db2.gz FHMBTIYPDXTCPA-RDTXWAMCSA-N 2 1 360.889 3.187 10 0 FGAEMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000249115494 713663784 /nfs/dbraw/zinc/66/37/84/713663784.db2.gz YLHWWRTUXNAJCK-SQNIBIBYSA-N 2 1 353.551 3.486 10 0 FGAEMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000304929882 713792289 /nfs/dbraw/zinc/79/22/89/713792289.db2.gz LHTWRJJRAJIFRD-GVDBMIGSSA-N 2 1 351.535 3.096 10 0 FGAEMP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3[nH]c4ccc(OC)cc4c3C)C2)C1 ZINC000014955312 212017394 /nfs/dbraw/zinc/01/73/94/212017394.db2.gz AMDOOLSFTWFMDV-QFIPXVFZSA-N 2 1 371.525 3.419 10 0 FGAEMP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3[nH]c4ccc(OC)cc4c3C)C2)C1 ZINC000014955312 212017399 /nfs/dbraw/zinc/01/73/99/212017399.db2.gz AMDOOLSFTWFMDV-QFIPXVFZSA-N 2 1 371.525 3.419 10 0 FGAEMP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3[nH]c4ccc(OC)cc4c3C)C2)C1 ZINC000014955312 212017400 /nfs/dbraw/zinc/01/74/00/212017400.db2.gz AMDOOLSFTWFMDV-QFIPXVFZSA-N 2 1 371.525 3.419 10 0 FGAEMP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3[nH]c4ccc(OC)cc4c3C)C2)C1 ZINC000014955312 212017404 /nfs/dbraw/zinc/01/74/04/212017404.db2.gz AMDOOLSFTWFMDV-QFIPXVFZSA-N 2 1 371.525 3.419 10 0 FGAEMP O=C(NC1CCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012718972 494252260 /nfs/dbraw/zinc/25/22/60/494252260.db2.gz OFGZKFNPUNEGJJ-IBGZPJMESA-N 2 1 355.526 3.032 10 0 FGAEMP O=C(NC1CCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012718972 494252264 /nfs/dbraw/zinc/25/22/64/494252264.db2.gz OFGZKFNPUNEGJJ-IBGZPJMESA-N 2 1 355.526 3.032 10 0 FGAEMP CN(c1ccccc1C[NH+]1CCC(c2ccn[nH]2)CC1)C1CC[NH+](C)CC1 ZINC000092810874 494755915 /nfs/dbraw/zinc/75/59/15/494755915.db2.gz OJGYFIHTLQDDGK-UHFFFAOYSA-N 2 1 367.541 3.320 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000123416514 495129536 /nfs/dbraw/zinc/12/95/36/495129536.db2.gz HMFJQQLSRDQJGV-NRFANRHFSA-N 2 1 358.574 3.133 10 0 FGAEMP CC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000125267799 495416076 /nfs/dbraw/zinc/41/60/76/495416076.db2.gz XNOJBHQTIWRHOX-CQSZACIVSA-N 2 1 353.388 3.147 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2csc(-c3cccs3)n2)CC1 ZINC000106126764 495416976 /nfs/dbraw/zinc/41/69/76/495416976.db2.gz NCMZWCUOFQFECZ-AWEZNQCLSA-N 2 1 365.568 3.396 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000176176507 495532217 /nfs/dbraw/zinc/53/22/17/495532217.db2.gz RZOYUHIZHKIQQG-OAQYLSRUSA-N 2 1 372.557 3.298 10 0 FGAEMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179516009 495624965 /nfs/dbraw/zinc/62/49/65/495624965.db2.gz BPBZUAYQHKAPPN-QGZVFWFLSA-N 2 1 370.541 3.014 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2csc(C3CCCC3)n2)CC1 ZINC000170941685 495660993 /nfs/dbraw/zinc/66/09/93/495660993.db2.gz OEAAYGCOVNUSND-HNNXBMFYSA-N 2 1 351.560 3.325 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2csc(C3CCCC3)n2)CC1 ZINC000170941685 495660995 /nfs/dbraw/zinc/66/09/95/495660995.db2.gz OEAAYGCOVNUSND-HNNXBMFYSA-N 2 1 351.560 3.325 10 0 FGAEMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1F ZINC000150914667 495679158 /nfs/dbraw/zinc/67/91/58/495679158.db2.gz FHMBPZQJVMIHSJ-INIZCTEOSA-N 2 1 357.429 3.250 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000151856752 495970864 /nfs/dbraw/zinc/97/08/64/495970864.db2.gz NGFSWZWHPXVNAR-MRXNPFEDSA-N 2 1 361.534 3.101 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000151856833 495971220 /nfs/dbraw/zinc/97/12/20/495971220.db2.gz NGFSWZWHPXVNAR-INIZCTEOSA-N 2 1 361.534 3.101 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175191604 496285936 /nfs/dbraw/zinc/28/59/36/496285936.db2.gz NNQHGCDDKIZOHO-OAHLLOKOSA-N 2 1 361.461 3.005 10 0 FGAEMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178290810 496401612 /nfs/dbraw/zinc/40/16/12/496401612.db2.gz VONODRLUCVSWBC-WOJBJXKFSA-N 2 1 354.498 3.266 10 0 FGAEMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178290810 496401614 /nfs/dbraw/zinc/40/16/14/496401614.db2.gz VONODRLUCVSWBC-WOJBJXKFSA-N 2 1 354.498 3.266 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000178321226 496412002 /nfs/dbraw/zinc/41/20/02/496412002.db2.gz UHNPSKFYSXGHGV-BXWFABGCSA-N 2 1 352.482 3.022 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000178321226 496412009 /nfs/dbraw/zinc/41/20/09/496412009.db2.gz UHNPSKFYSXGHGV-BXWFABGCSA-N 2 1 352.482 3.022 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000178334583 496416026 /nfs/dbraw/zinc/41/60/26/496416026.db2.gz VPSKWZFGFULJFD-YQVWRLOYSA-N 2 1 354.498 3.230 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000178334583 496416031 /nfs/dbraw/zinc/41/60/31/496416031.db2.gz VPSKWZFGFULJFD-YQVWRLOYSA-N 2 1 354.498 3.230 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000178334666 496416387 /nfs/dbraw/zinc/41/63/87/496416387.db2.gz YEGNHFONEQHIPF-YLJYHZDGSA-N 2 1 354.498 3.011 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000178334666 496416392 /nfs/dbraw/zinc/41/63/92/496416392.db2.gz YEGNHFONEQHIPF-YLJYHZDGSA-N 2 1 354.498 3.011 10 0 FGAEMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C12CCOCC2 ZINC000249054495 497156151 /nfs/dbraw/zinc/15/61/51/497156151.db2.gz XJWOIIRLVHRXER-IZBJGVDFSA-N 2 1 350.547 3.203 10 0 FGAEMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1OC(F)F ZINC000261649583 497427489 /nfs/dbraw/zinc/42/74/89/497427489.db2.gz HCGBKHIDTDTVDX-SJORKVTESA-N 2 1 362.420 3.471 10 0 FGAEMP Cc1sc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)nc1-c1ccccc1 ZINC000261892834 497469442 /nfs/dbraw/zinc/46/94/42/497469442.db2.gz GRZLWZVYUMZOKJ-IPMKNSEASA-N 2 1 371.550 3.408 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261983024 497487246 /nfs/dbraw/zinc/48/72/46/497487246.db2.gz RWPAWVZLZOKREN-YJSIEXFISA-N 2 1 371.569 3.308 10 0 FGAEMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261983024 497487249 /nfs/dbraw/zinc/48/72/49/497487249.db2.gz RWPAWVZLZOKREN-YJSIEXFISA-N 3 1 371.569 3.308 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261983024 497487252 /nfs/dbraw/zinc/48/72/52/497487252.db2.gz RWPAWVZLZOKREN-YJSIEXFISA-N 3 1 371.569 3.308 10 0 FGAEMP COc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000262013214 497492255 /nfs/dbraw/zinc/49/22/55/497492255.db2.gz VTGUJIKTXQODPC-SXLOBPIMSA-N 2 1 358.526 3.254 10 0 FGAEMP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246071122 497611420 /nfs/dbraw/zinc/61/14/20/497611420.db2.gz BVUNCVKKXRAHME-AEFFLSMTSA-N 2 1 370.472 3.002 10 0 FGAEMP Cc1ccc([C@@H](C)NC(=O)CN2CC[C@@H](CNc3ccccn3)C2)cc1C ZINC000246084074 497615741 /nfs/dbraw/zinc/61/57/41/497615741.db2.gz DZIDKXWLCJDMHJ-MOPGFXCFSA-N 2 1 366.509 3.310 10 0 FGAEMP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000246194473 497655694 /nfs/dbraw/zinc/65/56/94/497655694.db2.gz WTMBMMQBSNGPME-QUCCMNQESA-N 2 1 366.509 3.137 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000246907895 497819708 /nfs/dbraw/zinc/81/97/08/497819708.db2.gz FXAPPZYVNDORQM-CTNGQTDRSA-N 2 1 366.509 3.240 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000246907895 497819709 /nfs/dbraw/zinc/81/97/09/497819709.db2.gz FXAPPZYVNDORQM-CTNGQTDRSA-N 2 1 366.509 3.240 10 0 FGAEMP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000246924715 497820443 /nfs/dbraw/zinc/82/04/43/497820443.db2.gz GUCHSJKRJXRDIY-RHSMWYFYSA-N 2 1 358.511 3.405 10 0 FGAEMP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000246924715 497820444 /nfs/dbraw/zinc/82/04/44/497820444.db2.gz GUCHSJKRJXRDIY-RHSMWYFYSA-N 2 1 358.511 3.405 10 0 FGAEMP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379667602 499542604 /nfs/dbraw/zinc/54/26/04/499542604.db2.gz BQZUIMFXALQXEE-NRFANRHFSA-N 2 1 365.521 3.233 10 0 FGAEMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784266 700505032 /nfs/dbraw/zinc/50/50/32/700505032.db2.gz LHTWRJJRAJIFRD-YESZJQIVSA-N 2 1 351.535 3.096 10 0 FGAEMP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000305462629 713793016 /nfs/dbraw/zinc/79/30/16/713793016.db2.gz CRFCZVLJBHMZIJ-DLBZAZTESA-N 2 1 353.551 3.486 10 0 FGAEMP COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000132241484 494844588 /nfs/dbraw/zinc/84/45/88/494844588.db2.gz OJDRCAWSTGVLQY-VQIMIIECSA-N 2 1 372.513 3.165 10 0 FGAEMP COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000132241484 494844590 /nfs/dbraw/zinc/84/45/90/494844590.db2.gz OJDRCAWSTGVLQY-VQIMIIECSA-N 2 1 372.513 3.165 10 0 FGAEMP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000136956218 495412690 /nfs/dbraw/zinc/41/26/90/495412690.db2.gz FONJEOJBTIOWBD-KRWDZBQOSA-N 2 1 368.481 3.243 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCSc2ccc(Cl)cc2)CC1 ZINC000106124503 495417117 /nfs/dbraw/zinc/41/71/17/495417117.db2.gz PCVAXPQGYDSIBE-HNNXBMFYSA-N 2 1 356.963 3.457 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(Br)s2)CC1 ZINC000106124564 495417330 /nfs/dbraw/zinc/41/73/30/495417330.db2.gz ANCJRUGXNLEJBT-GFCCVEGCSA-N 2 1 361.349 3.035 10 0 FGAEMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCOCC2 ZINC000186195612 495893192 /nfs/dbraw/zinc/89/31/92/495893192.db2.gz SSFLMFHEGNWMJD-NHCUHLMSSA-N 2 1 358.526 3.215 10 0 FGAEMP Cc1cccnc1C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000180478028 496012264 /nfs/dbraw/zinc/01/22/64/496012264.db2.gz YLUPOPPHUVUKLY-QFIPXVFZSA-N 2 1 353.510 3.267 10 0 FGAEMP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000177364446 496032447 /nfs/dbraw/zinc/03/24/47/496032447.db2.gz KFMIECBZRQKNDG-MSOLQXFVSA-N 2 1 366.575 3.257 10 0 FGAEMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000156392019 496231650 /nfs/dbraw/zinc/23/16/50/496231650.db2.gz BJKDJRAXSCWHQQ-PXNSSMCTSA-N 2 1 360.546 3.056 10 0 FGAEMP O[C@H](COCc1ccc(Cl)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247523185 496879884 /nfs/dbraw/zinc/87/98/84/496879884.db2.gz NPCLOJLHHHQOTP-ICSRJNTNSA-N 2 1 366.933 3.025 10 0 FGAEMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247596767 496894547 /nfs/dbraw/zinc/89/45/47/496894547.db2.gz SNUVKBBZLGBYCA-RXVVDRJESA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247596767 496894553 /nfs/dbraw/zinc/89/45/53/496894553.db2.gz SNUVKBBZLGBYCA-RXVVDRJESA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247596767 496894557 /nfs/dbraw/zinc/89/45/57/496894557.db2.gz SNUVKBBZLGBYCA-RXVVDRJESA-N 2 1 370.541 3.051 10 0 FGAEMP CCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000236954845 497172236 /nfs/dbraw/zinc/17/22/36/497172236.db2.gz OTTLWMAKTZPREB-QZTJIDSGSA-N 2 1 357.523 3.091 10 0 FGAEMP CCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000236954845 497172237 /nfs/dbraw/zinc/17/22/37/497172237.db2.gz OTTLWMAKTZPREB-QZTJIDSGSA-N 2 1 357.523 3.091 10 0 FGAEMP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000237133661 497195583 /nfs/dbraw/zinc/19/55/83/497195583.db2.gz YDGHMCSPKRRSHM-FCHUYYIVSA-N 2 1 365.521 3.275 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000245461975 497419322 /nfs/dbraw/zinc/41/93/22/497419322.db2.gz GDPYLPFAOFPAJO-MJGOQNOKSA-N 2 1 360.546 3.242 10 0 FGAEMP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261838749 497460660 /nfs/dbraw/zinc/46/06/60/497460660.db2.gz UHRGBTJLHVSJAT-POAQFYNOSA-N 2 1 374.488 3.236 10 0 FGAEMP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261838749 497460665 /nfs/dbraw/zinc/46/06/65/497460665.db2.gz UHRGBTJLHVSJAT-POAQFYNOSA-N 2 1 374.488 3.236 10 0 FGAEMP Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262005717 497491634 /nfs/dbraw/zinc/49/16/34/497491634.db2.gz VBBAXBMFFGBFQL-TWGBQZSLSA-N 2 1 358.526 3.209 10 0 FGAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246089242 497618502 /nfs/dbraw/zinc/61/85/02/497618502.db2.gz MPKFFVMVMQYFGF-UZLBHIALSA-N 2 1 369.513 3.367 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246089242 497618508 /nfs/dbraw/zinc/61/85/08/497618508.db2.gz MPKFFVMVMQYFGF-UZLBHIALSA-N 2 1 369.513 3.367 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)NCC3CCCCC3)C2)[nH+]1 ZINC000246105415 497623185 /nfs/dbraw/zinc/62/31/85/497623185.db2.gz ILMXPEPTPZYVRA-IEBWSBKVSA-N 2 1 358.530 3.209 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246353297 497705118 /nfs/dbraw/zinc/70/51/18/497705118.db2.gz JZDJUKODEUQHMI-HJNYFJLDSA-N 2 1 371.569 3.272 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000246458174 497740821 /nfs/dbraw/zinc/74/08/21/497740821.db2.gz PDLOXAKQKQVMFJ-GUXCAODWSA-N 2 1 369.513 3.270 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246458174 497740827 /nfs/dbraw/zinc/74/08/27/497740827.db2.gz PDLOXAKQKQVMFJ-GUXCAODWSA-N 2 1 369.513 3.270 10 0 FGAEMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000246792241 497811387 /nfs/dbraw/zinc/81/13/87/497811387.db2.gz CSFSWJGLULPJNC-YLJYHZDGSA-N 2 1 360.546 3.056 10 0 FGAEMP CC[N@H+](C)[C@@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C1 ZINC000302778853 498570860 /nfs/dbraw/zinc/57/08/60/498570860.db2.gz QHXXSBCSFGIKDO-MRXNPFEDSA-N 2 1 373.570 3.434 10 0 FGAEMP CC[N@@H+](C)[C@@H]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)C1 ZINC000302778853 498570867 /nfs/dbraw/zinc/57/08/67/498570867.db2.gz QHXXSBCSFGIKDO-MRXNPFEDSA-N 2 1 373.570 3.434 10 0 FGAEMP C[NH+](C)Cc1cccc(C[N@H+]2CCCC23CCN(c2ncccn2)CC3)c1 ZINC000072477159 536028284 /nfs/dbraw/zinc/02/82/84/536028284.db2.gz XGNQLKAUTINGNZ-UHFFFAOYSA-N 2 1 365.525 3.173 10 0 FGAEMP O[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044316 705725517 /nfs/dbraw/zinc/72/55/17/705725517.db2.gz KBTTXDJYZUKDJY-QZTJIDSGSA-N 2 1 367.331 3.337 10 0 FGAEMP CCc1ccc([C@@H]2C[C@H]3CN(C4CC[NH+](C)CC4)C(=O)[C@]34CCC[N@@H+]24)cc1 ZINC000020119692 220314598 /nfs/dbraw/zinc/31/45/98/220314598.db2.gz NECQAILRCXBPAJ-RRPUWOKSSA-N 2 1 367.537 3.081 10 0 FGAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000085395623 494120434 /nfs/dbraw/zinc/12/04/34/494120434.db2.gz JCIAKLVHXXZHMZ-GIVPXCGWSA-N 2 1 372.557 3.023 10 0 FGAEMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000085395623 494120436 /nfs/dbraw/zinc/12/04/36/494120436.db2.gz JCIAKLVHXXZHMZ-GIVPXCGWSA-N 2 1 372.557 3.023 10 0 FGAEMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000085395623 494120437 /nfs/dbraw/zinc/12/04/37/494120437.db2.gz JCIAKLVHXXZHMZ-GIVPXCGWSA-N 2 1 372.557 3.023 10 0 FGAEMP [NH3+]C1(Cc2ccc(F)cc2Cl)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000045391653 494423011 /nfs/dbraw/zinc/42/30/11/494423011.db2.gz ZXINHOSBLHPIPU-UHFFFAOYSA-N 2 1 359.836 3.291 10 0 FGAEMP COc1ccc2cc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)ccc2c1 ZINC000121087894 494588805 /nfs/dbraw/zinc/58/88/05/494588805.db2.gz GPSQSMRNFORQHL-QGZVFWFLSA-N 2 1 356.510 3.373 10 0 FGAEMP O[C@H]1C[C@H](c2cc(F)ccc2F)[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000121191948 494637886 /nfs/dbraw/zinc/63/78/86/494637886.db2.gz XXOWMXVAEHFHIO-FXAWDEMLSA-N 2 1 355.388 3.458 10 0 FGAEMP CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000092761326 494740917 /nfs/dbraw/zinc/74/09/17/494740917.db2.gz JRPSEUQGBDEMHO-PKOBYXMFSA-N 2 1 374.529 3.108 10 0 FGAEMP COc1cc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc2c1OCCO2 ZINC000092813134 494759384 /nfs/dbraw/zinc/75/93/84/494759384.db2.gz GJBFQSMBBQMNGZ-MRXNPFEDSA-N 2 1 369.465 3.104 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cn(C)nc3-c3ccncc3)C2)[nH+]1 ZINC000092813355 494761019 /nfs/dbraw/zinc/76/10/19/494761019.db2.gz BOIDPDLELFMZKH-KRWDZBQOSA-N 2 1 362.481 3.120 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cn(C)nc3-c3ccncc3)C2)[nH+]1 ZINC000092813355 494761022 /nfs/dbraw/zinc/76/10/22/494761022.db2.gz BOIDPDLELFMZKH-KRWDZBQOSA-N 2 1 362.481 3.120 10 0 FGAEMP Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000124372796 495277416 /nfs/dbraw/zinc/27/74/16/495277416.db2.gz PDLOXAKQKQVMFJ-TWOQFEAHSA-N 2 1 369.513 3.270 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000124372796 495277419 /nfs/dbraw/zinc/27/74/19/495277419.db2.gz PDLOXAKQKQVMFJ-TWOQFEAHSA-N 2 1 369.513 3.270 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000124372796 495277422 /nfs/dbraw/zinc/27/74/22/495277422.db2.gz PDLOXAKQKQVMFJ-TWOQFEAHSA-N 2 1 369.513 3.270 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCSc2ccc(Cl)cc2)CC1 ZINC000106124507 495417085 /nfs/dbraw/zinc/41/70/85/495417085.db2.gz PCVAXPQGYDSIBE-OAHLLOKOSA-N 2 1 356.963 3.457 10 0 FGAEMP Cc1cc(C)n(-c2ccc(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc2)n1 ZINC000106124872 495417671 /nfs/dbraw/zinc/41/76/71/495417671.db2.gz PZWKTOKHUXOEKT-IBGZPJMESA-N 2 1 370.541 3.014 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000106213833 495432347 /nfs/dbraw/zinc/43/23/47/495432347.db2.gz KPSJMUUCIVGNRC-AZUAARDMSA-N 2 1 368.525 3.438 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000106213833 495432352 /nfs/dbraw/zinc/43/23/52/495432352.db2.gz KPSJMUUCIVGNRC-AZUAARDMSA-N 2 1 368.525 3.438 10 0 FGAEMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000173458364 495538701 /nfs/dbraw/zinc/53/87/01/495538701.db2.gz ZPNAOKPIZGJJKY-SOLBZPMBSA-N 2 1 355.486 3.057 10 0 FGAEMP C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000170832995 495619391 /nfs/dbraw/zinc/61/93/91/495619391.db2.gz DBQUSGABLABURU-OAQYLSRUSA-N 2 1 372.557 3.297 10 0 FGAEMP C[NH+](C)[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000170832997 495619539 /nfs/dbraw/zinc/61/95/39/495619539.db2.gz DBQUSGABLABURU-NRFANRHFSA-N 2 1 372.557 3.297 10 0 FGAEMP Cc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1Br ZINC000179515647 495623202 /nfs/dbraw/zinc/62/32/02/495623202.db2.gz CEGOPHFAWACNDC-OAHLLOKOSA-N 2 1 369.347 3.282 10 0 FGAEMP CCN(C(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C1CCCCC1 ZINC000171651532 495970941 /nfs/dbraw/zinc/97/09/41/495970941.db2.gz ASMRFAWUKIZKKV-GOSISDBHSA-N 2 1 358.530 3.305 10 0 FGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000171900367 496083757 /nfs/dbraw/zinc/08/37/57/496083757.db2.gz KXSVCINRAAMQDH-WIYYLYMNSA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171900367 496083765 /nfs/dbraw/zinc/08/37/65/496083765.db2.gz KXSVCINRAAMQDH-WIYYLYMNSA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000171900367 496083773 /nfs/dbraw/zinc/08/37/73/496083773.db2.gz KXSVCINRAAMQDH-WIYYLYMNSA-N 2 1 370.541 3.051 10 0 FGAEMP c1cc(C2CC[NH+](CCCCC[NH+]3CCC(c4cc[nH]n4)CC3)CC2)[nH]n1 ZINC000172653433 496376296 /nfs/dbraw/zinc/37/62/96/496376296.db2.gz FTQKBHOXSARMLT-UHFFFAOYSA-N 2 1 370.545 3.362 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000178320323 496412116 /nfs/dbraw/zinc/41/21/16/496412116.db2.gz JOILANJKOZXCTR-OAQYLSRUSA-N 2 1 368.525 3.138 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000178320323 496412120 /nfs/dbraw/zinc/41/21/20/496412120.db2.gz JOILANJKOZXCTR-OAQYLSRUSA-N 2 1 368.525 3.138 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000178334608 496416684 /nfs/dbraw/zinc/41/66/84/496416684.db2.gz VPSKWZFGFULJFD-JENIJYKNSA-N 2 1 354.498 3.230 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000178334608 496416686 /nfs/dbraw/zinc/41/66/86/496416686.db2.gz VPSKWZFGFULJFD-JENIJYKNSA-N 2 1 354.498 3.230 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000178753867 496560293 /nfs/dbraw/zinc/56/02/93/496560293.db2.gz UTFBFJKGHQBTGH-LEWJYISDSA-N 2 1 368.525 3.212 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000178753867 496560299 /nfs/dbraw/zinc/56/02/99/496560299.db2.gz UTFBFJKGHQBTGH-LEWJYISDSA-N 2 1 368.525 3.212 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000176152991 496705720 /nfs/dbraw/zinc/70/57/20/496705720.db2.gz TYKDTKVHDYRGQX-SJORKVTESA-N 2 1 364.559 3.011 10 0 FGAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000247109488 496781373 /nfs/dbraw/zinc/78/13/73/496781373.db2.gz DUHIZKMYOWPACI-LEWJYISDSA-N 2 1 372.557 3.024 10 0 FGAEMP COc1cccc(CCC[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195271436 496870133 /nfs/dbraw/zinc/87/01/33/496870133.db2.gz RYTDJYKBAHBXLY-OAQYLSRUSA-N 2 1 353.510 3.477 10 0 FGAEMP COc1cccc(CCC[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195271436 496870137 /nfs/dbraw/zinc/87/01/37/496870137.db2.gz RYTDJYKBAHBXLY-OAQYLSRUSA-N 2 1 353.510 3.477 10 0 FGAEMP COc1cccc(CCC[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195271436 496870143 /nfs/dbraw/zinc/87/01/43/496870143.db2.gz RYTDJYKBAHBXLY-OAQYLSRUSA-N 2 1 353.510 3.477 10 0 FGAEMP COc1cccc(CCC[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195271436 496870149 /nfs/dbraw/zinc/87/01/49/496870149.db2.gz RYTDJYKBAHBXLY-OAQYLSRUSA-N 2 1 353.510 3.477 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000248671519 497077441 /nfs/dbraw/zinc/07/74/41/497077441.db2.gz TZNKZGIYWINFHB-YLJYHZDGSA-N 2 1 362.518 3.303 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000248671519 497077444 /nfs/dbraw/zinc/07/74/44/497077444.db2.gz TZNKZGIYWINFHB-YLJYHZDGSA-N 2 1 362.518 3.303 10 0 FGAEMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261878777 497467362 /nfs/dbraw/zinc/46/73/62/497467362.db2.gz FBIOIRRBLGEZPW-HBMCJLEFSA-N 2 1 368.525 3.242 10 0 FGAEMP c1sc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)nc1C1CCCCC1 ZINC000261905888 497472491 /nfs/dbraw/zinc/47/24/91/497472491.db2.gz IGJLIXRJGKHQRD-KZNAEPCWSA-N 2 1 363.571 3.480 10 0 FGAEMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000245683796 497500810 /nfs/dbraw/zinc/50/08/10/497500810.db2.gz GTAKJBQWPREXRZ-SFTDATJTSA-N 2 1 372.557 3.024 10 0 FGAEMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000245683796 497500814 /nfs/dbraw/zinc/50/08/14/497500814.db2.gz GTAKJBQWPREXRZ-SFTDATJTSA-N 2 1 372.557 3.024 10 0 FGAEMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000245683796 497500819 /nfs/dbraw/zinc/50/08/19/497500819.db2.gz GTAKJBQWPREXRZ-SFTDATJTSA-N 2 1 372.557 3.024 10 0 FGAEMP Cc1[nH+]ccn1-c1cncc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000302087454 498400642 /nfs/dbraw/zinc/40/06/42/498400642.db2.gz ZRQMSVWSOZHRBI-FUHWJXTLSA-N 2 1 354.502 3.062 10 0 FGAEMP Cc1[nH+]ccn1-c1cncc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000302087454 498400651 /nfs/dbraw/zinc/40/06/51/498400651.db2.gz ZRQMSVWSOZHRBI-FUHWJXTLSA-N 2 1 354.502 3.062 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000121115051 494602177 /nfs/dbraw/zinc/60/21/77/494602177.db2.gz YAIXJRINXJYNOO-CYBMUJFWSA-N 2 1 362.411 3.369 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cn(C)nc3-c3ccncc3)C2)[nH+]1 ZINC000092813356 494762219 /nfs/dbraw/zinc/76/22/19/494762219.db2.gz BOIDPDLELFMZKH-QGZVFWFLSA-N 2 1 362.481 3.120 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cn(C)nc3-c3ccncc3)C2)[nH+]1 ZINC000092813356 494762225 /nfs/dbraw/zinc/76/22/25/494762225.db2.gz BOIDPDLELFMZKH-QGZVFWFLSA-N 2 1 362.481 3.120 10 0 FGAEMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000113515933 495308853 /nfs/dbraw/zinc/30/88/53/495308853.db2.gz WUIMMPSTPUGJMJ-OALUTQOASA-N 2 1 370.493 3.102 10 0 FGAEMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000113515933 495308856 /nfs/dbraw/zinc/30/88/56/495308856.db2.gz WUIMMPSTPUGJMJ-OALUTQOASA-N 2 1 370.493 3.102 10 0 FGAEMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(F)c1 ZINC000135587307 495315745 /nfs/dbraw/zinc/31/57/45/495315745.db2.gz WYJFSTLQRJTCBR-HNNXBMFYSA-N 2 1 357.429 3.250 10 0 FGAEMP Cc1cc(C[N@H+](C)C2CCN(CCn3cccn3)CC2)c2ccccc2n1 ZINC000124612837 495316145 /nfs/dbraw/zinc/31/61/45/495316145.db2.gz DNPMJZHXZAPCHQ-UHFFFAOYSA-N 2 1 363.509 3.336 10 0 FGAEMP CCc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000124824138 495350072 /nfs/dbraw/zinc/35/00/72/495350072.db2.gz TUFUDDBCVJHUAJ-IBGZPJMESA-N 2 1 361.530 3.358 10 0 FGAEMP CCc1ccc([C@@H]2CCCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000124824138 495350075 /nfs/dbraw/zinc/35/00/75/495350075.db2.gz TUFUDDBCVJHUAJ-IBGZPJMESA-N 2 1 361.530 3.358 10 0 FGAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000114454275 495375444 /nfs/dbraw/zinc/37/54/44/495375444.db2.gz JAUOHCCSSIFYKT-HNNXBMFYSA-N 2 1 351.922 3.322 10 0 FGAEMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000114454275 495375448 /nfs/dbraw/zinc/37/54/48/495375448.db2.gz JAUOHCCSSIFYKT-HNNXBMFYSA-N 2 1 351.922 3.322 10 0 FGAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000114454277 495375621 /nfs/dbraw/zinc/37/56/21/495375621.db2.gz JAUOHCCSSIFYKT-OAHLLOKOSA-N 2 1 351.922 3.322 10 0 FGAEMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000114454277 495375626 /nfs/dbraw/zinc/37/56/26/495375626.db2.gz JAUOHCCSSIFYKT-OAHLLOKOSA-N 2 1 351.922 3.322 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2csc(-c3ccsc3)n2)CC1 ZINC000106124479 495417426 /nfs/dbraw/zinc/41/74/26/495417426.db2.gz WWDUOOOSNJIFGO-CQSZACIVSA-N 2 1 365.568 3.396 10 0 FGAEMP C[N@@H+](C[C@H](O)c1ccccc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127787 495418734 /nfs/dbraw/zinc/41/87/34/495418734.db2.gz SGDYDZMFJGKGGM-GOTSBHOMSA-N 2 1 368.521 3.097 10 0 FGAEMP CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000137894796 495453096 /nfs/dbraw/zinc/45/30/96/495453096.db2.gz ZIANOZCPMJFMJG-GOSISDBHSA-N 2 1 356.470 3.083 10 0 FGAEMP CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000137894796 495453101 /nfs/dbraw/zinc/45/31/01/495453101.db2.gz ZIANOZCPMJFMJG-GOSISDBHSA-N 2 1 356.470 3.083 10 0 FGAEMP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000106427521 495455247 /nfs/dbraw/zinc/45/52/47/495455247.db2.gz WWKDMHTVVKTMAM-RBUKOAKNSA-N 2 1 371.550 3.174 10 0 FGAEMP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(OC(F)F)c1 ZINC000180123258 495867930 /nfs/dbraw/zinc/86/79/30/495867930.db2.gz IMQOOLSQIOWRJW-HNNXBMFYSA-N 2 1 351.397 3.466 10 0 FGAEMP COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(OC(F)F)c1 ZINC000180123258 495867931 /nfs/dbraw/zinc/86/79/31/495867931.db2.gz IMQOOLSQIOWRJW-HNNXBMFYSA-N 2 1 351.397 3.466 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cc(F)cc4c3OCOC4)C2)[nH+]1 ZINC000171650853 495970211 /nfs/dbraw/zinc/97/02/11/495970211.db2.gz ONGBHRPJVJXEBK-HNNXBMFYSA-N 2 1 357.429 3.330 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000177518445 496094640 /nfs/dbraw/zinc/09/46/40/496094640.db2.gz SMJOBKHOFCYUEM-GHTZIAJQSA-N 2 1 372.557 3.338 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(Cc1ccccc1)C(C)C ZINC000178313317 496409291 /nfs/dbraw/zinc/40/92/91/496409291.db2.gz TZRAVYCODXHMGX-HXUWFJFHSA-N 2 1 354.498 3.093 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(Cc1ccccc1)C(C)C ZINC000178313317 496409301 /nfs/dbraw/zinc/40/93/01/496409301.db2.gz TZRAVYCODXHMGX-HXUWFJFHSA-N 2 1 354.498 3.093 10 0 FGAEMP CCO[C@@H]1C[C@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000191577173 496819544 /nfs/dbraw/zinc/81/95/44/496819544.db2.gz CIFAMLAGEFXWEA-VQTJNVASSA-N 2 1 351.579 3.072 10 0 FGAEMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000247508848 496875102 /nfs/dbraw/zinc/87/51/02/496875102.db2.gz VRGQJYFJWGBXKZ-DENIHFKCSA-N 2 1 368.521 3.037 10 0 FGAEMP COc1ccc(OCCC[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195291279 496877378 /nfs/dbraw/zinc/87/73/78/496877378.db2.gz LDJYVYPGHPBBOV-HXUWFJFHSA-N 2 1 369.509 3.313 10 0 FGAEMP COc1ccc(OCCC[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195291279 496877380 /nfs/dbraw/zinc/87/73/80/496877380.db2.gz LDJYVYPGHPBBOV-HXUWFJFHSA-N 2 1 369.509 3.313 10 0 FGAEMP COc1ccc(OCCC[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000195291279 496877381 /nfs/dbraw/zinc/87/73/81/496877381.db2.gz LDJYVYPGHPBBOV-HXUWFJFHSA-N 2 1 369.509 3.313 10 0 FGAEMP COc1ccc(OCCC[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000195291279 496877384 /nfs/dbraw/zinc/87/73/84/496877384.db2.gz LDJYVYPGHPBBOV-HXUWFJFHSA-N 2 1 369.509 3.313 10 0 FGAEMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000247530341 496882206 /nfs/dbraw/zinc/88/22/06/496882206.db2.gz ZTGZRMSTDZBQIA-FXAWDEMLSA-N 2 1 360.546 3.055 10 0 FGAEMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247530341 496882210 /nfs/dbraw/zinc/88/22/10/496882210.db2.gz ZTGZRMSTDZBQIA-FXAWDEMLSA-N 2 1 360.546 3.055 10 0 FGAEMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247530341 496882216 /nfs/dbraw/zinc/88/22/16/496882216.db2.gz ZTGZRMSTDZBQIA-FXAWDEMLSA-N 2 1 360.546 3.055 10 0 FGAEMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248573135 497043952 /nfs/dbraw/zinc/04/39/52/497043952.db2.gz MQBRGXXWYSUJOX-HLNWXESRSA-N 2 1 357.542 3.495 10 0 FGAEMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248573135 497043958 /nfs/dbraw/zinc/04/39/58/497043958.db2.gz MQBRGXXWYSUJOX-HLNWXESRSA-N 2 1 357.542 3.495 10 0 FGAEMP C[N@H+](Cc1ccc(F)nc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000189339255 497087375 /nfs/dbraw/zinc/08/73/75/497087375.db2.gz BRBWCIQBSKSYAI-FQEVSTJZSA-N 2 1 357.473 3.098 10 0 FGAEMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000249513067 497215566 /nfs/dbraw/zinc/21/55/66/497215566.db2.gz WHCYSPDSDJIFPW-UYAOXDASSA-N 2 1 360.546 3.101 10 0 FGAEMP [NH3+][C@H](CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000237857952 497304179 /nfs/dbraw/zinc/30/41/79/497304179.db2.gz NRRXITYCPXHXRA-LEWJYISDSA-N 2 1 351.494 3.247 10 0 FGAEMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000237886757 497308448 /nfs/dbraw/zinc/30/84/48/497308448.db2.gz RAJWMIZNKBARCT-VTHDOGFWSA-N 2 1 355.526 3.078 10 0 FGAEMP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261696640 497434688 /nfs/dbraw/zinc/43/46/88/497434688.db2.gz JJZHGCYTWDVUKA-WMQCIHAUSA-N 2 1 363.505 3.029 10 0 FGAEMP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261696640 497434691 /nfs/dbraw/zinc/43/46/91/497434691.db2.gz JJZHGCYTWDVUKA-WMQCIHAUSA-N 2 1 363.505 3.029 10 0 FGAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3Br)C[C@@H]12 ZINC000261717232 497437789 /nfs/dbraw/zinc/43/77/89/497437789.db2.gz JXHBESZYXOHJTM-MPKXVKKWSA-N 2 1 359.695 3.150 10 0 FGAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3Br)C[C@@H]12 ZINC000261717232 497437785 /nfs/dbraw/zinc/43/77/85/497437785.db2.gz JXHBESZYXOHJTM-MPKXVKKWSA-N 2 1 359.695 3.150 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1c1ccccc1 ZINC000261794044 497451889 /nfs/dbraw/zinc/45/18/89/497451889.db2.gz VFFJGSHDNYSTJG-NQIIRXRSSA-N 2 1 350.441 3.186 10 0 FGAEMP COc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CCCC2)c1 ZINC000262004269 497490991 /nfs/dbraw/zinc/49/09/91/497490991.db2.gz UVPDTCWPSOXUER-HBMCJLEFSA-N 2 1 358.526 3.254 10 0 FGAEMP COc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CCCC2)c1 ZINC000262004276 497491887 /nfs/dbraw/zinc/49/18/87/497491887.db2.gz UVPDTCWPSOXUER-PWRODBHTSA-N 2 1 358.526 3.254 10 0 FGAEMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262313876 497538423 /nfs/dbraw/zinc/53/84/23/497538423.db2.gz TZXOAXUHGOCJDM-NYUBLWNDSA-N 2 1 357.542 3.298 10 0 FGAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000246349291 497703565 /nfs/dbraw/zinc/70/35/65/497703565.db2.gz PFICSAAQNBGDGR-SFTDATJTSA-N 2 1 370.541 3.051 10 0 FGAEMP Cn1cc([C@@H](CNc2cc[nH+]c3cc(Br)ccc23)[NH+](C)C)cn1 ZINC000301275552 498033866 /nfs/dbraw/zinc/03/38/66/498033866.db2.gz IPPKDIAOZGAWIH-QGZVFWFLSA-N 2 1 374.286 3.446 10 0 FGAEMP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784921 700505466 /nfs/dbraw/zinc/50/54/66/700505466.db2.gz BLKYQLOUDOBMOV-IRXDYDNUSA-N 2 1 353.551 3.486 10 0 FGAEMP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784921 700505467 /nfs/dbraw/zinc/50/54/67/700505467.db2.gz BLKYQLOUDOBMOV-IRXDYDNUSA-N 2 1 353.551 3.486 10 0 FGAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000237058600 713587734 /nfs/dbraw/zinc/58/77/34/713587734.db2.gz YULZRICGFMQNAK-YVEFUNNKSA-N 2 1 372.340 3.447 10 0 FGAEMP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)C[C@@H]12 ZINC000249371653 713666211 /nfs/dbraw/zinc/66/62/11/713666211.db2.gz NLLUYCOMMIWIPV-KZNAEPCWSA-N 2 1 351.535 3.098 10 0 FGAEMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000700805871 722409837 /nfs/dbraw/zinc/40/98/37/722409837.db2.gz VMESJLVMJNNQJE-KSZLIROESA-N 2 1 353.551 3.344 10 0 FGAEMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000081020834 493815039 /nfs/dbraw/zinc/81/50/39/493815039.db2.gz GPAZEEIKWDHRKW-OAQYLSRUSA-N 2 1 357.542 3.278 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(-c3ccccn3)c2)CC1 ZINC000121132784 494610978 /nfs/dbraw/zinc/61/09/78/494610978.db2.gz SYIWRCOFALCXLF-GOSISDBHSA-N 2 1 353.510 3.273 10 0 FGAEMP Cc1ncccc1C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000121181154 494634764 /nfs/dbraw/zinc/63/47/64/494634764.db2.gz LTFSZAHDIQHBGJ-QFIPXVFZSA-N 2 1 353.510 3.267 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cn(C)nc3-c3cccnc3)C2)[nH+]1 ZINC000092813143 494757976 /nfs/dbraw/zinc/75/79/76/494757976.db2.gz LAAPFLBBPMYLKO-KRWDZBQOSA-N 2 1 362.481 3.120 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cn(C)nc3-c3cccnc3)C2)[nH+]1 ZINC000092813143 494757984 /nfs/dbraw/zinc/75/79/84/494757984.db2.gz LAAPFLBBPMYLKO-KRWDZBQOSA-N 2 1 362.481 3.120 10 0 FGAEMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](Cn2cncn2)C1 ZINC000128578246 495118285 /nfs/dbraw/zinc/11/82/85/495118285.db2.gz HGZATUBPZUKRIR-FQEVSTJZSA-N 2 1 355.530 3.148 10 0 FGAEMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128578246 495118287 /nfs/dbraw/zinc/11/82/87/495118287.db2.gz HGZATUBPZUKRIR-FQEVSTJZSA-N 2 1 355.530 3.148 10 0 FGAEMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128578246 495118290 /nfs/dbraw/zinc/11/82/90/495118290.db2.gz HGZATUBPZUKRIR-FQEVSTJZSA-N 2 1 355.530 3.148 10 0 FGAEMP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000103514609 495246031 /nfs/dbraw/zinc/24/60/31/495246031.db2.gz FUXRTLDWQCTPKZ-NRFANRHFSA-N 2 1 372.557 3.024 10 0 FGAEMP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000103514611 495246068 /nfs/dbraw/zinc/24/60/68/495246068.db2.gz FUXRTLDWQCTPKZ-OAQYLSRUSA-N 2 1 372.557 3.024 10 0 FGAEMP CC(=O)c1c(C)cc(C)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000106126770 495417206 /nfs/dbraw/zinc/41/72/06/495417206.db2.gz MPJGHLBXAVPELI-QGZVFWFLSA-N 2 1 360.542 3.339 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCc3sccc3C2)C1 ZINC000106214098 495433302 /nfs/dbraw/zinc/43/33/02/495433302.db2.gz YMRAXYMRYHQXAG-RDJZCZTQSA-N 2 1 372.538 3.117 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCc3sccc3C2)C1 ZINC000106214098 495433304 /nfs/dbraw/zinc/43/33/04/495433304.db2.gz YMRAXYMRYHQXAG-RDJZCZTQSA-N 2 1 372.538 3.117 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159061084 495648151 /nfs/dbraw/zinc/64/81/51/495648151.db2.gz ODKOJOYNYFMOBP-NJDAHSKKSA-N 2 1 360.542 3.149 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159061084 495648159 /nfs/dbraw/zinc/64/81/59/495648159.db2.gz ODKOJOYNYFMOBP-NJDAHSKKSA-N 2 1 360.542 3.149 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159061084 495648165 /nfs/dbraw/zinc/64/81/65/495648165.db2.gz ODKOJOYNYFMOBP-NJDAHSKKSA-N 2 1 360.542 3.149 10 0 FGAEMP CC(C)(C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159061084 495648172 /nfs/dbraw/zinc/64/81/72/495648172.db2.gz ODKOJOYNYFMOBP-NJDAHSKKSA-N 2 1 360.542 3.149 10 0 FGAEMP CC(C)c1noc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000170942048 495660495 /nfs/dbraw/zinc/66/04/95/495660495.db2.gz WTAMFCMOHLVZGW-LJQANCHMSA-N 2 1 372.513 3.070 10 0 FGAEMP CC(C)c1noc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000170942048 495660504 /nfs/dbraw/zinc/66/05/04/495660504.db2.gz WTAMFCMOHLVZGW-LJQANCHMSA-N 2 1 372.513 3.070 10 0 FGAEMP CC(C)c1noc(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000170942045 495660885 /nfs/dbraw/zinc/66/08/85/495660885.db2.gz WTAMFCMOHLVZGW-IBGZPJMESA-N 2 1 372.513 3.070 10 0 FGAEMP CC(C)c1noc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000170942045 495660889 /nfs/dbraw/zinc/66/08/89/495660889.db2.gz WTAMFCMOHLVZGW-IBGZPJMESA-N 2 1 372.513 3.070 10 0 FGAEMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000171078406 495714369 /nfs/dbraw/zinc/71/43/69/495714369.db2.gz AYVJUKCCHPHRHQ-SFHVURJKSA-N 2 1 355.486 3.223 10 0 FGAEMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000177114350 495931589 /nfs/dbraw/zinc/93/15/89/495931589.db2.gz FTFWQCFJAUBSCS-ZWKOTPCHSA-N 2 1 374.529 3.108 10 0 FGAEMP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186370518 495969513 /nfs/dbraw/zinc/96/95/13/495969513.db2.gz DOKGXRZOAGOYNS-HLAWJBBLSA-N 2 1 360.542 3.461 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N3CCC[C@H]4CCCC[C@@H]43)C2)[nH+]1 ZINC000171651603 495969632 /nfs/dbraw/zinc/96/96/32/495969632.db2.gz RUJGPVUBGMWRML-ZCNNSNEGSA-N 2 1 370.541 3.305 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N3C[C@H](C)C[C@H](C)C3)C2)[nH+]1 ZINC000171652374 495971846 /nfs/dbraw/zinc/97/18/46/495971846.db2.gz RSFWIVBUKLZJAK-NBMJBFSESA-N 2 1 358.530 3.017 10 0 FGAEMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000177329365 496020982 /nfs/dbraw/zinc/02/09/82/496020982.db2.gz YXUBXEQMBFKBBW-FQEVSTJZSA-N 2 1 360.546 3.154 10 0 FGAEMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000171890304 496078317 /nfs/dbraw/zinc/07/83/17/496078317.db2.gz NWTCIPKXBHOMRP-IBGZPJMESA-N 2 1 367.497 3.367 10 0 FGAEMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000171890304 496078321 /nfs/dbraw/zinc/07/83/21/496078321.db2.gz NWTCIPKXBHOMRP-IBGZPJMESA-N 2 1 367.497 3.367 10 0 FGAEMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171905304 496085812 /nfs/dbraw/zinc/08/58/12/496085812.db2.gz CQFYIIFPHDICGN-NRFANRHFSA-N 2 1 370.541 3.052 10 0 FGAEMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171905450 496086262 /nfs/dbraw/zinc/08/62/62/496086262.db2.gz UWYQZJVQJAHMSY-OAQYLSRUSA-N 2 1 370.541 3.052 10 0 FGAEMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000152387562 496135139 /nfs/dbraw/zinc/13/51/39/496135139.db2.gz UTEICLDIGQURIP-KRWDZBQOSA-N 2 1 361.534 3.055 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000178293324 496401227 /nfs/dbraw/zinc/40/12/27/496401227.db2.gz DSHZLKBPQOLGHV-GOEBONIOSA-N 2 1 360.889 3.187 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000178293324 496401231 /nfs/dbraw/zinc/40/12/31/496401231.db2.gz DSHZLKBPQOLGHV-GOEBONIOSA-N 2 1 360.889 3.187 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000178310732 496408288 /nfs/dbraw/zinc/40/82/88/496408288.db2.gz QUWYUHJVBQSDCD-GHTZIAJQSA-N 2 1 368.525 3.482 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000178310732 496408291 /nfs/dbraw/zinc/40/82/91/496408291.db2.gz QUWYUHJVBQSDCD-GHTZIAJQSA-N 2 1 368.525 3.482 10 0 FGAEMP CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247438260 496858701 /nfs/dbraw/zinc/85/87/01/496858701.db2.gz XLJGPETXTMXHQF-JBACZVJFSA-N 2 1 372.557 3.165 10 0 FGAEMP COC(=O)[C@H](c1ccccc1C)N1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000248626771 497062424 /nfs/dbraw/zinc/06/24/24/497062424.db2.gz PUFJVDHHPGHKMK-PXNSSMCTSA-N 2 1 353.466 3.347 10 0 FGAEMP COC(=O)c1oc([C@H](C)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1C ZINC000248649401 497071945 /nfs/dbraw/zinc/07/19/45/497071945.db2.gz KRNVVRLTLKDBIN-WMZOPIPTSA-N 2 1 371.481 3.285 10 0 FGAEMP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1C ZINC000248649401 497071950 /nfs/dbraw/zinc/07/19/50/497071950.db2.gz KRNVVRLTLKDBIN-WMZOPIPTSA-N 2 1 371.481 3.285 10 0 FGAEMP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1C ZINC000248649401 497071955 /nfs/dbraw/zinc/07/19/55/497071955.db2.gz KRNVVRLTLKDBIN-WMZOPIPTSA-N 2 1 371.481 3.285 10 0 FGAEMP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cn2)c1 ZINC000262014731 497492485 /nfs/dbraw/zinc/49/24/85/497492485.db2.gz VYGJADQBBUTIAR-ZCNNSNEGSA-N 2 1 371.456 3.260 10 0 FGAEMP O[C@H](C[NH2+]C1CC(c2ccc(Br)cc2)C1)C[NH+]1CCCCC1 ZINC000193990526 497540953 /nfs/dbraw/zinc/54/09/53/497540953.db2.gz LPEAGRYZYCENBX-VMWRSERWSA-N 2 1 367.331 3.132 10 0 FGAEMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1C ZINC000246071134 497610828 /nfs/dbraw/zinc/61/08/28/497610828.db2.gz BVUUOSPPTZEYLT-PMACEKPBSA-N 2 1 369.509 3.181 10 0 FGAEMP C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246759885 497808665 /nfs/dbraw/zinc/80/86/65/497808665.db2.gz NRMOZFXBMUCEIP-CABCVRRESA-N 2 1 350.426 3.022 10 0 FGAEMP CCc1nccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000246935689 497821252 /nfs/dbraw/zinc/82/12/52/497821252.db2.gz AVOIWNRQGMLXMB-VQIMIIECSA-N 2 1 372.488 3.441 10 0 FGAEMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000130091143 700795885 /nfs/dbraw/zinc/79/58/85/700795885.db2.gz YFPAATSQLVNNHO-MSOLQXFVSA-N 2 1 353.551 3.344 10 0 FGAEMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247235378 713637917 /nfs/dbraw/zinc/63/79/17/713637917.db2.gz YFPAATSQLVNNHO-QZTJIDSGSA-N 2 1 353.551 3.344 10 0 FGAEMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC[NH+]3CCCCC3)C[C@H]21 ZINC000249371655 713666194 /nfs/dbraw/zinc/66/61/94/713666194.db2.gz NLLUYCOMMIWIPV-RCCFBDPRSA-N 2 1 351.535 3.098 10 0 FGAEMP COc1c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C)nn1C ZINC000093006819 494805780 /nfs/dbraw/zinc/80/57/80/494805780.db2.gz UPDSVJNIYYFSOG-UHFFFAOYSA-N 2 1 356.514 3.081 10 0 FGAEMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000118948943 495055508 /nfs/dbraw/zinc/05/55/08/495055508.db2.gz WPILNSMGLMSLHA-HXUWFJFHSA-N 2 1 360.546 3.154 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000123277273 495107985 /nfs/dbraw/zinc/10/79/85/495107985.db2.gz YUQKFSCVXFBJTK-TWOQFEAHSA-N 2 1 367.497 3.120 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000123277273 495107988 /nfs/dbraw/zinc/10/79/88/495107988.db2.gz YUQKFSCVXFBJTK-TWOQFEAHSA-N 2 1 367.497 3.120 10 0 FGAEMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)COCc3ccccc3)C2)CC1 ZINC000114562692 495391967 /nfs/dbraw/zinc/39/19/67/495391967.db2.gz BEFJWMGUVIKZDB-FCHUYYIVSA-N 2 1 360.542 3.008 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000179515327 495623845 /nfs/dbraw/zinc/62/38/45/495623845.db2.gz CZDPGFKBGPGMSN-QGZVFWFLSA-N 2 1 371.500 3.412 10 0 FGAEMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)C12CCOCC2 ZINC000186274824 495923249 /nfs/dbraw/zinc/92/32/49/495923249.db2.gz NAOJEHZUMNPOJT-WOJBJXKFSA-N 2 1 373.472 3.384 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Br)cs2)CC1 ZINC000172014271 496129437 /nfs/dbraw/zinc/12/94/37/496129437.db2.gz YYFLGUJRNOSOBH-LBPRGKRZSA-N 2 1 361.349 3.035 10 0 FGAEMP C[N@@H+](CCOc1cccc(Cl)c1)C1CCN(CCn2cccn2)CC1 ZINC000162588299 496378906 /nfs/dbraw/zinc/37/89/06/496378906.db2.gz BHMDZEMINOUZBC-UHFFFAOYSA-N 2 1 362.905 3.012 10 0 FGAEMP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178749954 496560136 /nfs/dbraw/zinc/56/01/36/496560136.db2.gz CXMDGNTVROPQBI-INIZCTEOSA-N 2 1 358.511 3.407 10 0 FGAEMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178749954 496560143 /nfs/dbraw/zinc/56/01/43/496560143.db2.gz CXMDGNTVROPQBI-INIZCTEOSA-N 2 1 358.511 3.407 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000164423088 496610964 /nfs/dbraw/zinc/61/09/64/496610964.db2.gz OGRQMOKTZXPQFH-HXUWFJFHSA-N 2 1 357.542 3.231 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000247170256 496797610 /nfs/dbraw/zinc/79/76/10/496797610.db2.gz VGXWLQMKFAFREU-MSOLQXFVSA-N 2 1 358.873 3.115 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000247170256 496797613 /nfs/dbraw/zinc/79/76/13/496797613.db2.gz VGXWLQMKFAFREU-MSOLQXFVSA-N 2 1 358.873 3.115 10 0 FGAEMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247175446 496797987 /nfs/dbraw/zinc/79/79/87/496797987.db2.gz VONODRLUCVSWBC-VQTJNVASSA-N 2 1 354.498 3.266 10 0 FGAEMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247175446 496797991 /nfs/dbraw/zinc/79/79/91/496797991.db2.gz VONODRLUCVSWBC-VQTJNVASSA-N 2 1 354.498 3.266 10 0 FGAEMP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236913347 497167337 /nfs/dbraw/zinc/16/73/37/497167337.db2.gz JEBDVSDZDPUUCL-GVDBMIGSSA-N 2 1 355.885 3.247 10 0 FGAEMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000261602944 497417341 /nfs/dbraw/zinc/41/73/41/497417341.db2.gz ARPHYOZUVHDFJJ-SJORKVTESA-N 2 1 358.869 3.286 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000261602944 497417345 /nfs/dbraw/zinc/41/73/45/497417345.db2.gz ARPHYOZUVHDFJJ-SJORKVTESA-N 2 1 358.869 3.286 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000245476859 497424120 /nfs/dbraw/zinc/42/41/20/497424120.db2.gz TYKDTKVHDYRGQX-IAGOWNOFSA-N 2 1 364.559 3.011 10 0 FGAEMP C[NH+](C)[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1cccc(Cl)c1 ZINC000261893244 497469425 /nfs/dbraw/zinc/46/94/25/497469425.db2.gz ZXNVRQWNWPIGFQ-HOJAQTOUSA-N 2 1 371.912 3.144 10 0 FGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000262640821 497589496 /nfs/dbraw/zinc/58/94/96/497589496.db2.gz KOOISBWKLWSTEX-OEWRPIJISA-N 2 1 365.521 3.374 10 0 FGAEMP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246070766 497610923 /nfs/dbraw/zinc/61/09/23/497610923.db2.gz BPXDWMFXLGNMFF-KSZLIROESA-N 2 1 364.493 3.182 10 0 FGAEMP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246070766 497610927 /nfs/dbraw/zinc/61/09/27/497610927.db2.gz BPXDWMFXLGNMFF-KSZLIROESA-N 2 1 364.493 3.182 10 0 FGAEMP CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000246109388 497625158 /nfs/dbraw/zinc/62/51/58/497625158.db2.gz JRPSEUQGBDEMHO-MJGOQNOKSA-N 2 1 374.529 3.108 10 0 FGAEMP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000246857704 497816964 /nfs/dbraw/zinc/81/69/64/497816964.db2.gz CMMUBDLKUUCKDS-RHSMWYFYSA-N 2 1 358.511 3.405 10 0 FGAEMP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000246857704 497816966 /nfs/dbraw/zinc/81/69/66/497816966.db2.gz CMMUBDLKUUCKDS-RHSMWYFYSA-N 2 1 358.511 3.405 10 0 FGAEMP COC[C@@H](C)[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000301779314 498260396 /nfs/dbraw/zinc/26/03/96/498260396.db2.gz HYAOYPIRSGQXKQ-CYBMUJFWSA-N 2 1 353.388 3.411 10 0 FGAEMP CCCCOC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000311953263 498755551 /nfs/dbraw/zinc/75/55/51/498755551.db2.gz LYFYFQQXIBDKPT-NRFANRHFSA-N 2 1 360.542 3.152 10 0 FGAEMP O=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)NC1CCCCC1 ZINC000378405238 499512774 /nfs/dbraw/zinc/51/27/74/499512774.db2.gz QUBMBPMCKFRPBD-SEJPIABJSA-N 2 1 355.526 3.221 10 0 FGAEMP O=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)NC1CCCCC1 ZINC000378405238 499512776 /nfs/dbraw/zinc/51/27/76/499512776.db2.gz QUBMBPMCKFRPBD-SEJPIABJSA-N 2 1 355.526 3.221 10 0 FGAEMP CC[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)CC1 ZINC000020207155 220318484 /nfs/dbraw/zinc/31/84/84/220318484.db2.gz CTRPDSVIASVSBL-HSZRJFAPSA-N 2 1 369.553 3.294 10 0 FGAEMP CC[NH+]1CCC([N@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3=O)CC1 ZINC000020207155 220318488 /nfs/dbraw/zinc/31/84/88/220318488.db2.gz CTRPDSVIASVSBL-HSZRJFAPSA-N 2 1 369.553 3.294 10 0 FGAEMP [NH3+]C1(COCc2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000038279188 136118737 /nfs/dbraw/zinc/11/87/37/136118737.db2.gz UFBYOZWKWYKBBZ-UHFFFAOYSA-N 2 1 371.872 3.126 10 0 FGAEMP COc1ccc2ccccc2c1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121086179 494589244 /nfs/dbraw/zinc/58/92/44/494589244.db2.gz BAIHHVRPOIIJPW-QGZVFWFLSA-N 2 1 356.510 3.373 10 0 FGAEMP Cc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc(C)c1OC(F)F ZINC000121098605 494595477 /nfs/dbraw/zinc/59/54/77/494595477.db2.gz URGGTTZAWLFAMG-INIZCTEOSA-N 2 1 370.484 3.429 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000109678436 494906023 /nfs/dbraw/zinc/90/60/23/494906023.db2.gz XSNQVVUHAXCORT-UXHICEINSA-N 2 1 366.509 3.274 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000109678436 494906028 /nfs/dbraw/zinc/90/60/28/494906028.db2.gz XSNQVVUHAXCORT-UXHICEINSA-N 2 1 366.509 3.274 10 0 FGAEMP COc1ccccc1C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C(C)C ZINC000124524267 495301946 /nfs/dbraw/zinc/30/19/46/495301946.db2.gz VZJAYEAIVNSXIN-NRFANRHFSA-N 2 1 361.574 3.126 10 0 FGAEMP Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000154545281 495649800 /nfs/dbraw/zinc/64/98/00/495649800.db2.gz ARXBCMZTECBNSY-OIOVQLOVSA-N 2 1 370.541 3.129 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000154545281 495649814 /nfs/dbraw/zinc/64/98/14/495649814.db2.gz ARXBCMZTECBNSY-OIOVQLOVSA-N 2 1 370.541 3.129 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000155051152 495817921 /nfs/dbraw/zinc/81/79/21/495817921.db2.gz VGGNJMLXQLMXCG-DLBZAZTESA-N 2 1 367.415 3.278 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000155051152 495817923 /nfs/dbraw/zinc/81/79/23/495817923.db2.gz VGGNJMLXQLMXCG-DLBZAZTESA-N 2 1 367.415 3.278 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)NCc3ccccc3C)C2)[nH+]1 ZINC000171650147 495967679 /nfs/dbraw/zinc/96/76/79/495967679.db2.gz ODZCOVNWMZDVQL-RTBURBONSA-N 2 1 366.509 3.137 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)[nH+]1 ZINC000186928532 496215477 /nfs/dbraw/zinc/21/54/77/496215477.db2.gz FPYFOWMUUZVXHY-GOSISDBHSA-N 2 1 364.493 3.233 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)[nH+]1 ZINC000186928532 496215483 /nfs/dbraw/zinc/21/54/83/496215483.db2.gz FPYFOWMUUZVXHY-GOSISDBHSA-N 2 1 364.493 3.233 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000178298152 496404193 /nfs/dbraw/zinc/40/41/93/496404193.db2.gz PNCMPTOSGIPHHB-GOSISDBHSA-N 2 1 351.454 3.339 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000178298152 496404201 /nfs/dbraw/zinc/40/42/01/496404201.db2.gz PNCMPTOSGIPHHB-GOSISDBHSA-N 2 1 351.454 3.339 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000178314503 496409432 /nfs/dbraw/zinc/40/94/32/496409432.db2.gz QZCUXYPNNBVWIX-PZJWPPBQSA-N 2 1 366.509 3.192 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000178314503 496409435 /nfs/dbraw/zinc/40/94/35/496409435.db2.gz QZCUXYPNNBVWIX-PZJWPPBQSA-N 2 1 366.509 3.192 10 0 FGAEMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)CC(C)C ZINC000175700545 496505851 /nfs/dbraw/zinc/50/58/51/496505851.db2.gz GKROMFBDKUCYGE-OALUTQOASA-N 2 1 363.550 3.122 10 0 FGAEMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C)c1ccco1 ZINC000176012908 496643247 /nfs/dbraw/zinc/64/32/47/496643247.db2.gz PPIZYUYPJMNJKH-QZTJIDSGSA-N 2 1 373.501 3.042 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000247140309 496791903 /nfs/dbraw/zinc/79/19/03/496791903.db2.gz SVAGTLKWCNRXDG-APWZRJJASA-N 2 1 352.482 3.024 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000247140309 496791905 /nfs/dbraw/zinc/79/19/05/496791905.db2.gz SVAGTLKWCNRXDG-APWZRJJASA-N 2 1 352.482 3.024 10 0 FGAEMP COc1c(C)c[nH+]c(CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1C ZINC000195280178 496873605 /nfs/dbraw/zinc/87/36/05/496873605.db2.gz VKMMWLYOTACLRU-IBGZPJMESA-N 2 1 354.498 3.056 10 0 FGAEMP COc1c(C)c[nH+]c(CN2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1C ZINC000195280178 496873609 /nfs/dbraw/zinc/87/36/09/496873609.db2.gz VKMMWLYOTACLRU-IBGZPJMESA-N 2 1 354.498 3.056 10 0 FGAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000245435671 497404689 /nfs/dbraw/zinc/40/46/89/497404689.db2.gz TWFNTHRVKCLDAJ-PXNSSMCTSA-N 2 1 374.529 3.028 10 0 FGAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000245435671 497404692 /nfs/dbraw/zinc/40/46/92/497404692.db2.gz TWFNTHRVKCLDAJ-PXNSSMCTSA-N 2 1 374.529 3.028 10 0 FGAEMP CSc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261683552 497431915 /nfs/dbraw/zinc/43/19/15/497431915.db2.gz IMUSBBJTTUVJMY-VPWXQRGCSA-N 2 1 369.534 3.410 10 0 FGAEMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261683552 497431919 /nfs/dbraw/zinc/43/19/19/497431919.db2.gz IMUSBBJTTUVJMY-VPWXQRGCSA-N 2 1 369.534 3.410 10 0 FGAEMP Fc1ccc(OCC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261802951 497454142 /nfs/dbraw/zinc/45/41/42/497454142.db2.gz RQABZXOKHPNIKR-KRWDZBQOSA-N 2 1 361.486 3.305 10 0 FGAEMP Fc1ccc(OCC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261802951 497454148 /nfs/dbraw/zinc/45/41/48/497454148.db2.gz RQABZXOKHPNIKR-KRWDZBQOSA-N 2 1 361.486 3.305 10 0 FGAEMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1F ZINC000261812223 497455809 /nfs/dbraw/zinc/45/58/09/497455809.db2.gz ROWGFDDXIXHFFZ-WDYCEAGBSA-N 2 1 355.457 3.135 10 0 FGAEMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1F ZINC000261812223 497455813 /nfs/dbraw/zinc/45/58/13/497455813.db2.gz ROWGFDDXIXHFFZ-WDYCEAGBSA-N 2 1 355.457 3.135 10 0 FGAEMP O=C(Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1)C1CCCC1 ZINC000261956981 497482734 /nfs/dbraw/zinc/48/27/34/497482734.db2.gz PCIYUMBUHXPTSY-NJDAHSKKSA-N 2 1 371.525 3.062 10 0 FGAEMP Brc1cccc(N[C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000262048879 497498568 /nfs/dbraw/zinc/49/85/68/497498568.db2.gz ZJZJBHIQYKLUHW-YOEHRIQHSA-N 2 1 352.320 3.325 10 0 FGAEMP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1C ZINC000262307302 497537301 /nfs/dbraw/zinc/53/73/01/497537301.db2.gz YMAIJYIHPJCJQD-BWAGFHJFSA-N 2 1 365.521 3.155 10 0 FGAEMP Cc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1C ZINC000262307302 497537309 /nfs/dbraw/zinc/53/73/09/497537309.db2.gz YMAIJYIHPJCJQD-BWAGFHJFSA-N 2 1 365.521 3.155 10 0 FGAEMP Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000245960461 497584310 /nfs/dbraw/zinc/58/43/10/497584310.db2.gz SATUZOKLARRFHZ-NVXWUHKLSA-N 2 1 363.465 3.231 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000245960461 497584313 /nfs/dbraw/zinc/58/43/13/497584313.db2.gz SATUZOKLARRFHZ-NVXWUHKLSA-N 2 1 363.465 3.231 10 0 FGAEMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246143748 497635592 /nfs/dbraw/zinc/63/55/92/497635592.db2.gz ODVZHDVKYCHVER-CEXWTWQISA-N 2 1 358.530 3.303 10 0 FGAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000246172370 497647121 /nfs/dbraw/zinc/64/71/21/497647121.db2.gz LHOYNNJSARRQEV-RTWAWAEBSA-N 2 1 372.557 3.295 10 0 FGAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000246172370 497647126 /nfs/dbraw/zinc/64/71/26/497647126.db2.gz LHOYNNJSARRQEV-RTWAWAEBSA-N 2 1 372.557 3.295 10 0 FGAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000246172370 497647133 /nfs/dbraw/zinc/64/71/33/497647133.db2.gz LHOYNNJSARRQEV-RTWAWAEBSA-N 2 1 372.557 3.295 10 0 FGAEMP C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246192519 497655195 /nfs/dbraw/zinc/65/51/95/497655195.db2.gz WPWXVAPVUNJWGP-CABCVRRESA-N 2 1 358.873 3.496 10 0 FGAEMP COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000246340324 497701428 /nfs/dbraw/zinc/70/14/28/497701428.db2.gz OJDRCAWSTGVLQY-APWZRJJASA-N 2 1 372.513 3.165 10 0 FGAEMP COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000246340324 497701434 /nfs/dbraw/zinc/70/14/34/497701434.db2.gz OJDRCAWSTGVLQY-APWZRJJASA-N 2 1 372.513 3.165 10 0 FGAEMP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)C1 ZINC000246574863 497778944 /nfs/dbraw/zinc/77/89/44/497778944.db2.gz VGTOCWGRHUNTHO-BHIYHBOVSA-N 2 1 369.534 3.091 10 0 FGAEMP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)C1 ZINC000246574863 497778946 /nfs/dbraw/zinc/77/89/46/497778946.db2.gz VGTOCWGRHUNTHO-BHIYHBOVSA-N 2 1 369.534 3.091 10 0 FGAEMP COC(=O)C1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000311494680 498751886 /nfs/dbraw/zinc/75/18/86/498751886.db2.gz CWNLFYMMUFKLEA-ZOBFTUDESA-N 2 1 356.510 3.218 10 0 FGAEMP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784917 700504897 /nfs/dbraw/zinc/50/48/97/700504897.db2.gz BLKYQLOUDOBMOV-IAGOWNOFSA-N 2 1 353.551 3.486 10 0 FGAEMP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784917 700504899 /nfs/dbraw/zinc/50/48/99/700504899.db2.gz BLKYQLOUDOBMOV-IAGOWNOFSA-N 2 1 353.551 3.486 10 0 FGAEMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000301314897 713781809 /nfs/dbraw/zinc/78/18/09/713781809.db2.gz SPBGRGFJBYSEFI-BZSNNMDCSA-N 2 1 353.551 3.342 10 0 FGAEMP O[C@@H](COc1ccccc1C[NH+]1CCCC1)C[N@H+]1CCc2ccccc2C1 ZINC000015073455 220145680 /nfs/dbraw/zinc/14/56/80/220145680.db2.gz WZWRIGWMUGERSX-JOCHJYFZSA-N 2 1 366.505 3.080 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000106216936 495435372 /nfs/dbraw/zinc/43/53/72/495435372.db2.gz MNNROAXVLLYDFW-FUHWJXTLSA-N 2 1 352.482 3.060 10 0 FGAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000106216936 495435376 /nfs/dbraw/zinc/43/53/76/495435376.db2.gz MNNROAXVLLYDFW-FUHWJXTLSA-N 2 1 352.482 3.060 10 0 FGAEMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106432343 495455511 /nfs/dbraw/zinc/45/55/11/495455511.db2.gz SQSUDICQEGFZHY-JOCHJYFZSA-N 2 1 367.537 3.316 10 0 FGAEMP CC(C)n1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000179518718 495626436 /nfs/dbraw/zinc/62/64/36/495626436.db2.gz OJWIKINHOHJUHK-QFIPXVFZSA-N 2 1 370.541 3.341 10 0 FGAEMP COC(=O)c1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C)s1 ZINC000150914363 495679026 /nfs/dbraw/zinc/67/90/26/495679026.db2.gz YFULPYCLPQJYFM-HNNXBMFYSA-N 2 1 359.495 3.481 10 0 FGAEMP COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1C ZINC000180133478 495872754 /nfs/dbraw/zinc/87/27/54/495872754.db2.gz HEQJPPGYZSAOCX-IBGZPJMESA-N 2 1 371.481 3.025 10 0 FGAEMP COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1C ZINC000180133478 495872758 /nfs/dbraw/zinc/87/27/58/495872758.db2.gz HEQJPPGYZSAOCX-IBGZPJMESA-N 2 1 371.481 3.025 10 0 FGAEMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000171900368 496083573 /nfs/dbraw/zinc/08/35/73/496083573.db2.gz KXSVCINRAAMQDH-GHTZIAJQSA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171900368 496083579 /nfs/dbraw/zinc/08/35/79/496083579.db2.gz KXSVCINRAAMQDH-GHTZIAJQSA-N 2 1 370.541 3.051 10 0 FGAEMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000171900368 496083582 /nfs/dbraw/zinc/08/35/82/496083582.db2.gz KXSVCINRAAMQDH-GHTZIAJQSA-N 2 1 370.541 3.051 10 0 FGAEMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178290995 496401430 /nfs/dbraw/zinc/40/14/30/496401430.db2.gz XHSRQDUSLRXVEZ-CSODHUTKSA-N 2 1 368.525 3.484 10 0 FGAEMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178290995 496401436 /nfs/dbraw/zinc/40/14/36/496401436.db2.gz XHSRQDUSLRXVEZ-CSODHUTKSA-N 2 1 368.525 3.484 10 0 FGAEMP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178295187 496402345 /nfs/dbraw/zinc/40/23/45/496402345.db2.gz HWXXRKVUGQIWGG-YLJYHZDGSA-N 2 1 354.498 3.093 10 0 FGAEMP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178295187 496402349 /nfs/dbraw/zinc/40/23/49/496402349.db2.gz HWXXRKVUGQIWGG-YLJYHZDGSA-N 2 1 354.498 3.093 10 0 FGAEMP Cc1c(-c2cc(C[N@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)on2)cnn1C ZINC000184567083 496442711 /nfs/dbraw/zinc/44/27/11/496442711.db2.gz BSFIARFKLSDHMG-INIZCTEOSA-N 2 1 366.469 3.021 10 0 FGAEMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C)CC(C)C ZINC000175700505 496506084 /nfs/dbraw/zinc/50/60/84/496506084.db2.gz GKROMFBDKUCYGE-MOPGFXCFSA-N 2 1 363.550 3.122 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000178973637 496633626 /nfs/dbraw/zinc/63/36/26/496633626.db2.gz TXZXNYIQKCXGFT-HNNXBMFYSA-N 2 1 374.447 3.152 10 0 FGAEMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247065278 496768664 /nfs/dbraw/zinc/76/86/64/496768664.db2.gz OHIVSDJZZGZGJW-FUHWJXTLSA-N 2 1 372.538 3.253 10 0 FGAEMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247065278 496768676 /nfs/dbraw/zinc/76/86/76/496768676.db2.gz OHIVSDJZZGZGJW-FUHWJXTLSA-N 2 1 372.538 3.253 10 0 FGAEMP CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000247438251 496858667 /nfs/dbraw/zinc/85/86/67/496858667.db2.gz XLJGPETXTMXHQF-GIVPXCGWSA-N 2 1 372.557 3.165 10 0 FGAEMP COc1c(C)c[nH+]c(CN2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1C ZINC000195280170 496873337 /nfs/dbraw/zinc/87/33/37/496873337.db2.gz VKMMWLYOTACLRU-LJQANCHMSA-N 2 1 354.498 3.056 10 0 FGAEMP COc1c(C)c[nH+]c(CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1C ZINC000195280170 496873343 /nfs/dbraw/zinc/87/33/43/496873343.db2.gz VKMMWLYOTACLRU-LJQANCHMSA-N 2 1 354.498 3.056 10 0 FGAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCC5(CC4)OCCO5)[C@H]3C2)cc1 ZINC000248422491 497006158 /nfs/dbraw/zinc/00/61/58/497006158.db2.gz YQHKTOFTSLPOTN-SESVDKBCSA-N 2 1 356.510 3.172 10 0 FGAEMP CCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000236875359 497161596 /nfs/dbraw/zinc/16/15/96/497161596.db2.gz OTTLWMAKTZPREB-ROUUACIJSA-N 2 1 357.523 3.091 10 0 FGAEMP CCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000236875359 497161599 /nfs/dbraw/zinc/16/15/99/497161599.db2.gz OTTLWMAKTZPREB-ROUUACIJSA-N 2 1 357.523 3.091 10 0 FGAEMP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000237984969 497323301 /nfs/dbraw/zinc/32/33/01/497323301.db2.gz NBFBMWPVYBVHPQ-WOJBJXKFSA-N 2 1 355.526 3.161 10 0 FGAEMP C[C@@H]1CCC[C@@H](N(Cc2noc(C[NH3+])n2)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000261645344 497425618 /nfs/dbraw/zinc/42/56/18/497425618.db2.gz FXPDJTGZVQMGRB-IJEWVQPXSA-N 2 1 372.469 3.084 10 0 FGAEMP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261655591 497428582 /nfs/dbraw/zinc/42/85/82/497428582.db2.gz GQQZVWCFNPUZCE-ZTNFWEORSA-N 2 1 371.912 3.019 10 0 FGAEMP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261655591 497428586 /nfs/dbraw/zinc/42/85/86/497428586.db2.gz GQQZVWCFNPUZCE-ZTNFWEORSA-N 2 1 371.912 3.019 10 0 FGAEMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3Br)C[C@H]12 ZINC000261717235 497438072 /nfs/dbraw/zinc/43/80/72/497438072.db2.gz JXHBESZYXOHJTM-SCDSUCTJSA-N 2 1 359.695 3.150 10 0 FGAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3Br)C[C@H]12 ZINC000261717235 497438077 /nfs/dbraw/zinc/43/80/77/497438077.db2.gz JXHBESZYXOHJTM-SCDSUCTJSA-N 2 1 359.695 3.150 10 0 FGAEMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261878783 497467741 /nfs/dbraw/zinc/46/77/41/497467741.db2.gz FBIOIRRBLGEZPW-PWRODBHTSA-N 2 1 368.525 3.242 10 0 FGAEMP c1ccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cn2)cc1 ZINC000261897976 497470887 /nfs/dbraw/zinc/47/08/87/497470887.db2.gz HHWGHXZKFCXDFH-VAMGGRTRSA-N 2 1 353.466 3.121 10 0 FGAEMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000261914329 497474394 /nfs/dbraw/zinc/47/43/94/497474394.db2.gz JKSBVGMKLGZEMN-BBWFWOEESA-N 2 1 372.431 3.183 10 0 FGAEMP COC(=O)c1ccc(CN2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)cc1 ZINC000190470307 497492402 /nfs/dbraw/zinc/49/24/02/497492402.db2.gz TUOPMWOAHLXYNX-QGZVFWFLSA-N 2 1 373.522 3.192 10 0 FGAEMP COC(=O)c1ccc(CN2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)cc1 ZINC000190470307 497492408 /nfs/dbraw/zinc/49/24/08/497492408.db2.gz TUOPMWOAHLXYNX-QGZVFWFLSA-N 2 1 373.522 3.192 10 0 FGAEMP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1OC1CCCC1 ZINC000262033228 497496857 /nfs/dbraw/zinc/49/68/57/497496857.db2.gz XRDPSQTWMDRMTO-ZCNNSNEGSA-N 2 1 374.525 3.263 10 0 FGAEMP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245915531 497570344 /nfs/dbraw/zinc/57/03/44/497570344.db2.gz FJEJYNGLSZTBQB-DLBZAZTESA-N 2 1 359.474 3.150 10 0 FGAEMP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245915531 497570350 /nfs/dbraw/zinc/57/03/50/497570350.db2.gz FJEJYNGLSZTBQB-DLBZAZTESA-N 2 1 359.474 3.150 10 0 FGAEMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)Cc3ccccc3)C2)[nH+]1 ZINC000246066614 497609876 /nfs/dbraw/zinc/60/98/76/497609876.db2.gz AXIHFRUFTOOSDH-UYAOXDASSA-N 2 1 366.509 3.171 10 0 FGAEMP Cc1nccn1-c1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000246134512 497634048 /nfs/dbraw/zinc/63/40/48/497634048.db2.gz YUQKFSCVXFBJTK-GUXCAODWSA-N 2 1 367.497 3.120 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246134512 497634050 /nfs/dbraw/zinc/63/40/50/497634050.db2.gz YUQKFSCVXFBJTK-GUXCAODWSA-N 2 1 367.497 3.120 10 0 FGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000246134512 497634052 /nfs/dbraw/zinc/63/40/52/497634052.db2.gz YUQKFSCVXFBJTK-GUXCAODWSA-N 2 1 367.497 3.120 10 0 FGAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246457356 497740877 /nfs/dbraw/zinc/74/08/77/497740877.db2.gz JHEADHOOEFPXQP-HLAWJBBLSA-N 2 1 372.557 3.165 10 0 FGAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246457356 497740881 /nfs/dbraw/zinc/74/08/81/497740881.db2.gz JHEADHOOEFPXQP-HLAWJBBLSA-N 2 1 372.557 3.165 10 0 FGAEMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246457356 497740885 /nfs/dbraw/zinc/74/08/85/497740885.db2.gz JHEADHOOEFPXQP-HLAWJBBLSA-N 2 1 372.557 3.165 10 0 FGAEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000247195443 713636793 /nfs/dbraw/zinc/63/67/93/713636793.db2.gz UGTLTOSIBPLYBN-ZWKOTPCHSA-N 2 1 353.551 3.488 10 0 FGAEMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000249033574 713662535 /nfs/dbraw/zinc/66/25/35/713662535.db2.gz MCRIBBQTJBSECV-FGTMMUONSA-N 2 1 353.551 3.486 10 0 FGAEMP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnc(C4CC4)s3)C2)ccn1 ZINC000886046194 739211609 /nfs/dbraw/zinc/21/16/09/739211609.db2.gz WACWMHIZTMKKOR-QGZVFWFLSA-N 2 1 358.511 3.130 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000121142286 494614949 /nfs/dbraw/zinc/61/49/49/494614949.db2.gz RMELTHZKBMRPFM-AWEZNQCLSA-N 2 1 360.420 3.110 10 0 FGAEMP Cc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(OC(F)F)cc1C ZINC000121148985 494617554 /nfs/dbraw/zinc/61/75/54/494617554.db2.gz CKASSWDGJPYUNZ-INIZCTEOSA-N 2 1 370.484 3.429 10 0 FGAEMP COc1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc(OC)c1OC ZINC000092813323 494761591 /nfs/dbraw/zinc/76/15/91/494761591.db2.gz CEEDKNPNBMAVFN-INIZCTEOSA-N 2 1 371.481 3.350 10 0 FGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2cccc3ccccc32)CC1 ZINC000106124200 495416940 /nfs/dbraw/zinc/41/69/40/495416940.db2.gz UVOUXCPZDIWTIM-SFHVURJKSA-N 2 1 356.510 3.243 10 0 FGAEMP Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000182562923 495617828 /nfs/dbraw/zinc/61/78/28/495617828.db2.gz QHFYJLDFVBYMIM-KRWDZBQOSA-N 2 1 355.482 3.151 10 0 FGAEMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)ccc1OC ZINC000183090672 495830876 /nfs/dbraw/zinc/83/08/76/495830876.db2.gz TUNFTRAHOQFBPL-CRAIPNDOSA-N 2 1 357.502 3.314 10 0 FGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C3CC3)C3CCCC3)C2)[nH+]1 ZINC000171649118 495968062 /nfs/dbraw/zinc/96/80/62/495968062.db2.gz OKNILUWLJGIAAX-KRWDZBQOSA-N 2 1 356.514 3.057 10 0 FGAEMP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652174 495970760 /nfs/dbraw/zinc/97/07/60/495970760.db2.gz PAHHINHZINFGLN-GOSISDBHSA-N 2 1 353.466 3.405 10 0 FGAEMP CC(=O)c1ccccc1OCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652174 495970763 /nfs/dbraw/zinc/97/07/63/495970763.db2.gz PAHHINHZINFGLN-GOSISDBHSA-N 2 1 353.466 3.405 10 0 FGAEMP CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000158461205 496706932 /nfs/dbraw/zinc/70/69/32/496706932.db2.gz AZVNXLOOOKFYEX-IAGOWNOFSA-N 2 1 371.447 3.126 10 0 FGAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000247108774 496781034 /nfs/dbraw/zinc/78/10/34/496781034.db2.gz QZCUXYPNNBVWIX-FPOVZHCZSA-N 2 1 366.509 3.192 10 0 FGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000247108774 496781046 /nfs/dbraw/zinc/78/10/46/496781046.db2.gz QZCUXYPNNBVWIX-FPOVZHCZSA-N 2 1 366.509 3.192 10 0 FGAEMP CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000247855878 496921624 /nfs/dbraw/zinc/92/16/24/496921624.db2.gz YDHHDPQJBKOOJK-QGTPRVQTSA-N 2 1 369.912 3.318 10 0 FGAEMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248649015 497071435 /nfs/dbraw/zinc/07/14/35/497071435.db2.gz KGKXKEUVSBONAK-SESVDKBCSA-N 2 1 372.557 3.015 10 0 FGAEMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248649015 497071440 /nfs/dbraw/zinc/07/14/40/497071440.db2.gz KGKXKEUVSBONAK-SESVDKBCSA-N 2 1 372.557 3.015 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@H]1c1ccccc1 ZINC000261730869 497440377 /nfs/dbraw/zinc/44/03/77/497440377.db2.gz OJRWYNMYKKRINX-PUHATCMVSA-N 2 1 366.505 3.419 10 0 FGAEMP COc1ccc2nc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)sc2c1 ZINC000261801996 497453947 /nfs/dbraw/zinc/45/39/47/497453947.db2.gz GZPJHDBIGYTTIV-WBVHZDCISA-N 2 1 353.491 3.479 10 0 FGAEMP COc1ccc2nc(C[N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)sc2c1 ZINC000261801996 497453951 /nfs/dbraw/zinc/45/39/51/497453951.db2.gz GZPJHDBIGYTTIV-WBVHZDCISA-N 2 1 353.491 3.479 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000246478933 497747809 /nfs/dbraw/zinc/74/78/09/497747809.db2.gz ACIZXKQQSRDJDO-MSOLQXFVSA-N 2 1 358.873 3.115 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000246478933 497747810 /nfs/dbraw/zinc/74/78/10/497747810.db2.gz ACIZXKQQSRDJDO-MSOLQXFVSA-N 2 1 358.873 3.115 10 0 FGAEMP CSc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000246857693 497817080 /nfs/dbraw/zinc/81/70/80/497817080.db2.gz CMMUBDLKUUCKDS-PBHICJAKSA-N 2 1 358.511 3.405 10 0 FGAEMP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000246857693 497817081 /nfs/dbraw/zinc/81/70/81/497817081.db2.gz CMMUBDLKUUCKDS-PBHICJAKSA-N 2 1 358.511 3.405 10 0 FGAEMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000379659833 499542919 /nfs/dbraw/zinc/54/29/19/499542919.db2.gz BFOLJIDETOGCBU-IFMALSPDSA-N 2 1 363.505 3.044 10 0 FGAEMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000301314898 713781838 /nfs/dbraw/zinc/78/18/38/713781838.db2.gz SPBGRGFJBYSEFI-KSZLIROESA-N 2 1 353.551 3.342 10 0 FGAEMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301314940 713781893 /nfs/dbraw/zinc/78/18/93/713781893.db2.gz UNLIDADNXHGFTA-WNRNVDISSA-N 2 1 351.535 3.238 10 0 FGAEMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000301314940 713781894 /nfs/dbraw/zinc/78/18/94/713781894.db2.gz UNLIDADNXHGFTA-WNRNVDISSA-N 2 1 351.535 3.238 10 0 FGAEMP CCCC[NH+](CCCC)CCC[NH2+]Cc1ccc(OCCO)c(OC)c1 ZINC000013734061 220090700 /nfs/dbraw/zinc/09/07/00/220090700.db2.gz DBNJVRUCSLSALN-UHFFFAOYSA-N 2 1 366.546 3.448 10 0 FGAEMP O[C@H](COc1ccccc1C[NH+]1CCCC1)C[N@H+]1CCc2ccccc2C1 ZINC000015073456 220145598 /nfs/dbraw/zinc/14/55/98/220145598.db2.gz WZWRIGWMUGERSX-QFIPXVFZSA-N 2 1 366.505 3.080 10 0 FGAEMP CC(C)n1ncc2cc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)cnc21 ZINC000106163093 495422705 /nfs/dbraw/zinc/42/27/05/495422705.db2.gz LRTFWHJKYWGYAB-UHFFFAOYSA-N 2 1 352.486 3.200 10 0 FGAEMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000106427519 495455719 /nfs/dbraw/zinc/45/57/19/495455719.db2.gz WWKDMHTVVKTMAM-MOPGFXCFSA-N 2 1 371.550 3.174 10 0 FGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(-c3ccccc3)s2)CC1 ZINC000170941933 495661046 /nfs/dbraw/zinc/66/10/46/495661046.db2.gz PDTBSIMRNJCENY-MRXNPFEDSA-N 2 1 359.539 3.335 10 0 FGAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000173752194 495677216 /nfs/dbraw/zinc/67/72/16/495677216.db2.gz LHOYNNJSARRQEV-LEWJYISDSA-N 2 1 372.557 3.295 10 0 FGAEMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000173752194 495677222 /nfs/dbraw/zinc/67/72/22/495677222.db2.gz LHOYNNJSARRQEV-LEWJYISDSA-N 2 1 372.557 3.295 10 0 FGAEMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000173752194 495677228 /nfs/dbraw/zinc/67/72/28/495677228.db2.gz LHOYNNJSARRQEV-LEWJYISDSA-N 2 1 372.557 3.295 10 0 FGAEMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652382 495972434 /nfs/dbraw/zinc/97/24/34/495972434.db2.gz ODVZHDVKYCHVER-GUDVDZBRSA-N 2 1 358.530 3.303 10 0 FGAEMP COc1cccc(NC(=O)CC[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000174766149 496097482 /nfs/dbraw/zinc/09/74/82/496097482.db2.gz NLYWNSUWAYYYJT-KRWDZBQOSA-N 2 1 368.481 3.161 10 0 FGAEMP COc1cccc(NC(=O)CC[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000174766149 496097490 /nfs/dbraw/zinc/09/74/90/496097490.db2.gz NLYWNSUWAYYYJT-KRWDZBQOSA-N 2 1 368.481 3.161 10 0 FGAEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000177866094 496230512 /nfs/dbraw/zinc/23/05/12/496230512.db2.gz DUHIZKMYOWPACI-SFTDATJTSA-N 2 1 372.557 3.024 10 0 FGAEMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000177866094 496230515 /nfs/dbraw/zinc/23/05/15/496230515.db2.gz DUHIZKMYOWPACI-SFTDATJTSA-N 2 1 372.557 3.024 10 0 FGAEMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000177866094 496230518 /nfs/dbraw/zinc/23/05/18/496230518.db2.gz DUHIZKMYOWPACI-SFTDATJTSA-N 2 1 372.557 3.024 10 0 FGAEMP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178291044 496401372 /nfs/dbraw/zinc/40/13/72/496401372.db2.gz GUCHSJKRJXRDIY-YOEHRIQHSA-N 2 1 358.511 3.405 10 0 FGAEMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178291044 496401375 /nfs/dbraw/zinc/40/13/75/496401375.db2.gz GUCHSJKRJXRDIY-YOEHRIQHSA-N 2 1 358.511 3.405 10 0 FGAEMP Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000247108763 496781184 /nfs/dbraw/zinc/78/11/84/496781184.db2.gz QZCUXYPNNBVWIX-CTNGQTDRSA-N 2 1 366.509 3.192 10 0 FGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000247108763 496781194 /nfs/dbraw/zinc/78/11/94/496781194.db2.gz QZCUXYPNNBVWIX-CTNGQTDRSA-N 2 1 366.509 3.192 10 0 FGAEMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000247521822 496879270 /nfs/dbraw/zinc/87/92/70/496879270.db2.gz WUIMMPSTPUGJMJ-RTBURBONSA-N 2 1 370.493 3.102 10 0 FGAEMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000247521822 496879273 /nfs/dbraw/zinc/87/92/73/496879273.db2.gz WUIMMPSTPUGJMJ-RTBURBONSA-N 2 1 370.493 3.102 10 0 FGAEMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCC5(CC4)OCCO5)[C@@H]3C2)cc1 ZINC000248422489 497006423 /nfs/dbraw/zinc/00/64/23/497006423.db2.gz YQHKTOFTSLPOTN-CEWLAPEOSA-N 2 1 356.510 3.172 10 0 FGAEMP COc1ccc(C[C@H](C)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1F ZINC000248877737 497123578 /nfs/dbraw/zinc/12/35/78/497123578.db2.gz NCCQCLQPXXZSDZ-IRXDYDNUSA-N 2 1 366.521 3.038 10 0 FGAEMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000261691724 497434586 /nfs/dbraw/zinc/43/45/86/497434586.db2.gz JBJJVMHQJACBAZ-DGCVBNHASA-N 2 1 369.484 3.066 10 0 FGAEMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccc(F)cc1 ZINC000261691724 497434589 /nfs/dbraw/zinc/43/45/89/497434589.db2.gz JBJJVMHQJACBAZ-DGCVBNHASA-N 2 1 369.484 3.066 10 0 FGAEMP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261727606 497441332 /nfs/dbraw/zinc/44/13/32/497441332.db2.gz LRKWMBKNUHAMCV-YADHBBJMSA-N 2 1 365.521 3.098 10 0 FGAEMP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261727606 497441336 /nfs/dbraw/zinc/44/13/36/497441336.db2.gz LRKWMBKNUHAMCV-YADHBBJMSA-N 2 1 365.521 3.098 10 0 FGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1c1ccccc1 ZINC000261818577 497457023 /nfs/dbraw/zinc/45/70/23/497457023.db2.gz NEQJKPCJFAQCOR-MJGOQNOKSA-N 2 1 350.491 3.379 10 0 FGAEMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261875731 497466718 /nfs/dbraw/zinc/46/67/18/497466718.db2.gz DQBSUXQACMLYRO-KFWWJZLASA-N 2 1 360.832 3.188 10 0 FGAEMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261952258 497482228 /nfs/dbraw/zinc/48/22/28/497482228.db2.gz OMWNGSACXDMGPN-DNVJHFABSA-N 3 1 371.569 3.165 10 0 FGAEMP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000190457514 497485926 /nfs/dbraw/zinc/48/59/26/497485926.db2.gz IZYOANNCHMBAJM-MRXNPFEDSA-N 2 1 373.522 3.177 10 0 FGAEMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000190457514 497485931 /nfs/dbraw/zinc/48/59/31/497485931.db2.gz IZYOANNCHMBAJM-MRXNPFEDSA-N 2 1 373.522 3.177 10 0 FGAEMP COc1ccc(OC)c(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190479712 497497147 /nfs/dbraw/zinc/49/71/47/497497147.db2.gz UWUYYUZNAFVAJC-GOSISDBHSA-N 2 1 355.482 3.053 10 0 FGAEMP COc1ccc(OC)c(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190479712 497497152 /nfs/dbraw/zinc/49/71/52/497497152.db2.gz UWUYYUZNAFVAJC-GOSISDBHSA-N 2 1 355.482 3.053 10 0 FGAEMP CC(C)(C)n1cc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000311892028 498753549 /nfs/dbraw/zinc/75/35/49/498753549.db2.gz AVICIQSQEFEGTB-DFQSSKMNSA-N 2 1 353.514 3.033 10 0 FGAEMP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905544 498764504 /nfs/dbraw/zinc/76/45/04/498764504.db2.gz JYSDHSMORICZEZ-NHCUHLMSSA-N 2 1 372.509 3.049 10 0 FGAEMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000373358290 499465195 /nfs/dbraw/zinc/46/51/95/499465195.db2.gz JBTLRTOGAGTLGQ-VUCRHFMTSA-N 2 1 351.535 3.237 10 0 FGAEMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000373358290 499465196 /nfs/dbraw/zinc/46/51/96/499465196.db2.gz JBTLRTOGAGTLGQ-VUCRHFMTSA-N 2 1 351.535 3.237 10 0 FGAEMP