smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(=C/C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)\C[NH+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484590 495382851 /nfs/dbraw/zinc/38/28/51/495382851.db2.gz XHMCFEBFWBQFIY-BGEOSOQGSA-N 2 0 354.502 3.443 10 0 FGAERP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179516021 495625465 /nfs/dbraw/zinc/62/54/65/495625465.db2.gz BPBZUAYQHKAPPN-KRWDZBQOSA-N 2 0 370.541 3.014 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C3CCCCC3)C2)[nH+]1 ZINC000151117555 495744306 /nfs/dbraw/zinc/74/43/06/495744306.db2.gz MJYWKWJWWDRWBG-ROUUACIJSA-N 2 0 358.530 3.303 10 0 FGAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000164423206 496610526 /nfs/dbraw/zinc/61/05/26/496610526.db2.gz OGRQMOKTZXPQFH-FQEVSTJZSA-N 2 0 357.542 3.231 10 0 FGAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000247115759 496784254 /nfs/dbraw/zinc/78/42/54/496784254.db2.gz IVADIGPFURFWBP-NQIIRXRSSA-N 2 0 370.541 3.051 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000247487441 496869922 /nfs/dbraw/zinc/86/99/22/496869922.db2.gz KXSVCINRAAMQDH-NQIIRXRSSA-N 2 0 370.541 3.051 10 0 FGAERP C(=C\C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)\C[NH+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000255514082 497368944 /nfs/dbraw/zinc/36/89/44/497368944.db2.gz XHMCFEBFWBQFIY-SBUVDCAVSA-N 2 0 354.502 3.443 10 0 FGAERP C[C@H](C(=O)N1CCCc2ccccc21)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261696636 497434414 /nfs/dbraw/zinc/43/44/14/497434414.db2.gz JJZHGCYTWDVUKA-UIFIKXQLSA-N 2 0 363.505 3.029 10 0 FGAERP Brc1cccc(N[C@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000262048867 497498683 /nfs/dbraw/zinc/49/86/83/497498683.db2.gz ZJZJBHIQYKLUHW-PBHICJAKSA-N 2 0 352.320 3.325 10 0 FGAERP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262326724 497540369 /nfs/dbraw/zinc/54/03/69/497540369.db2.gz GCWKTYVEMPKXSL-RDJZCZTQSA-N 2 0 371.447 3.113 10 0 FGAERP Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c(C)c1 ZINC000246061055 497608266 /nfs/dbraw/zinc/60/82/66/497608266.db2.gz AHFICMSFWYXONW-VQTJNVASSA-N 2 0 369.509 3.181 10 0 FGAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000246525699 497764427 /nfs/dbraw/zinc/76/44/27/497764427.db2.gz JGJJOZIGLKQEQO-YNIZLOQISA-N 2 0 364.578 3.057 10 0 FGAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246849668 497816392 /nfs/dbraw/zinc/81/63/92/497816392.db2.gz FGMFGGMTSHRDCG-YLJYHZDGSA-N 2 0 360.546 3.056 10 0 FGAERP C[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000301314314 713781723 /nfs/dbraw/zinc/78/17/23/713781723.db2.gz GPWYCCFVKRCHSN-KURKYZTESA-N 2 0 353.551 3.344 10 0 FGAERP CCCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1OC ZINC000121135995 494612743 /nfs/dbraw/zinc/61/27/43/494612743.db2.gz VBXGOGNSGVQKEU-KRWDZBQOSA-N 2 0 364.530 3.009 10 0 FGAERP CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000092761324 494739895 /nfs/dbraw/zinc/73/98/95/494739895.db2.gz JRPSEUQGBDEMHO-HKUYNNGSSA-N 2 0 374.529 3.108 10 0 FGAERP COc1ccccc1C[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C(C)C ZINC000132558374 494892540 /nfs/dbraw/zinc/89/25/40/494892540.db2.gz OWEYTSBSCFYSAD-SFTDATJTSA-N 2 0 361.574 3.124 10 0 FGAERP C[NH+](C)C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111808093 495113774 /nfs/dbraw/zinc/11/37/74/495113774.db2.gz GCRFPDQGAZPJOM-HXUWFJFHSA-N 2 0 360.546 3.245 10 0 FGAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000173456171 495537507 /nfs/dbraw/zinc/53/75/07/495537507.db2.gz TYNDPBIRRCITTC-ZWKOTPCHSA-N 2 0 369.513 3.307 10 0 FGAERP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000182584427 495624613 /nfs/dbraw/zinc/62/46/13/495624613.db2.gz DFTKVMVGUCUKQK-LJQANCHMSA-N 2 0 352.567 3.014 10 0 FGAERP CCCOc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1OC ZINC000179517219 495624995 /nfs/dbraw/zinc/62/49/95/495624995.db2.gz ZQQQRWUZPUZIFT-KRWDZBQOSA-N 2 0 364.530 3.009 10 0 FGAERP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C12CCOCC2 ZINC000186249413 495913986 /nfs/dbraw/zinc/91/39/86/495913986.db2.gz KPCZGTIUUHWYDH-IYWMVGAKSA-N 2 0 352.563 3.308 10 0 FGAERP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652390 495972475 /nfs/dbraw/zinc/97/24/75/495972475.db2.gz ODVZHDVKYCHVER-IPMKNSEASA-N 2 0 358.530 3.303 10 0 FGAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000156732905 496322123 /nfs/dbraw/zinc/32/21/23/496322123.db2.gz FGMFGGMTSHRDCG-PXNSSMCTSA-N 2 0 360.546 3.056 10 0 FGAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000181966492 496617039 /nfs/dbraw/zinc/61/70/39/496617039.db2.gz BEHSICDCNUZUIH-ZWKOTPCHSA-N 2 0 374.529 3.026 10 0 FGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCC5(CC4)OCCO5)[C@H]3C2)cc1 ZINC000248422490 497006444 /nfs/dbraw/zinc/00/64/44/497006444.db2.gz YQHKTOFTSLPOTN-JBACZVJFSA-N 2 0 356.510 3.172 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C12CCOCC2 ZINC000248988788 497146301 /nfs/dbraw/zinc/14/63/01/497146301.db2.gz KPCZGTIUUHWYDH-YSTOQKLRSA-N 2 0 352.563 3.308 10 0 FGAERP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000261734253 497441877 /nfs/dbraw/zinc/44/18/77/497441877.db2.gz MCLOJDBAYZGPDF-APWZRJJASA-N 2 0 357.885 3.343 10 0 FGAERP C[N@H+](CCO)C1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000272222305 497569095 /nfs/dbraw/zinc/56/90/95/497569095.db2.gz NTKDYXYKVJFWNC-UHFFFAOYSA-N 2 0 353.388 3.147 10 0 FGAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194331461 497637026 /nfs/dbraw/zinc/63/70/26/497637026.db2.gz NFTRWKRDJZCFDG-KRWDZBQOSA-N 2 0 362.518 3.013 10 0 FGAERP CC1CC[NH+](CCC[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000129952142 700794181 /nfs/dbraw/zinc/79/41/81/700794181.db2.gz RUDUPFOKABILRJ-GOSISDBHSA-N 2 0 353.551 3.345 10 0 FGAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000167846474 705348462 /nfs/dbraw/zinc/34/84/62/705348462.db2.gz DFUAEFZYCVYATF-KBXCAEBGSA-N 2 0 351.922 3.042 10 0 FGAERP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000700805872 722409788 /nfs/dbraw/zinc/40/97/88/722409788.db2.gz VMESJLVMJNNQJE-OKZBNKHCSA-N 2 0 353.551 3.344 10 0 FGAERP Cc1cc(Br)ccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121151416 494619387 /nfs/dbraw/zinc/61/93/87/494619387.db2.gz NIJPOMMFJMUWMX-OAHLLOKOSA-N 2 0 369.347 3.282 10 0 FGAERP CC1CC[NH+](C2CCC(NC(=O)[C@H](Cc3ccccc3)[NH+](C)C)CC2)CC1 ZINC000122475251 494981628 /nfs/dbraw/zinc/98/16/28/494981628.db2.gz CWQPEOGCDPNDGH-HRTMPFAESA-N 2 0 371.569 3.319 10 0 FGAERP COC(=O)c1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(F)c1 ZINC000135587323 495315143 /nfs/dbraw/zinc/31/51/43/495315143.db2.gz WYJFSTLQRJTCBR-OAHLLOKOSA-N 2 0 357.429 3.250 10 0 FGAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106432346 495454959 /nfs/dbraw/zinc/45/49/59/495454959.db2.gz SQSUDICQEGFZHY-QFIPXVFZSA-N 2 0 367.537 3.316 10 0 FGAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c2ccccc12 ZINC000179517941 495624918 /nfs/dbraw/zinc/62/49/18/495624918.db2.gz ZPGKLWGBQHXHMO-QGZVFWFLSA-N 2 0 356.510 3.373 10 0 FGAERP CCC[C@H](C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)[NH+](C)C ZINC000158980225 495629009 /nfs/dbraw/zinc/62/90/09/495629009.db2.gz UXSKZXNTHWBVLT-UXHICEINSA-N 2 0 361.530 3.069 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc(-c3ccccc3)s2)CC1 ZINC000170941932 495660901 /nfs/dbraw/zinc/66/09/01/495660901.db2.gz PDTBSIMRNJCENY-INIZCTEOSA-N 2 0 359.539 3.335 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCC3CCCCC3)C2)[nH+]1 ZINC000171652436 495972076 /nfs/dbraw/zinc/97/20/76/495972076.db2.gz ILMXPEPTPZYVRA-HKUYNNGSSA-N 2 0 358.530 3.209 10 0 FGAERP CCO[C@H]1C[C@@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000191577210 496819805 /nfs/dbraw/zinc/81/98/05/496819805.db2.gz CIFAMLAGEFXWEA-UXHICEINSA-N 2 0 351.579 3.072 10 0 FGAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000195131911 496829389 /nfs/dbraw/zinc/82/93/89/496829389.db2.gz TXKGGQUYWVMWPS-PWRODBHTSA-N 2 0 358.526 3.072 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)C2)[nH+]1 ZINC000247310509 496831484 /nfs/dbraw/zinc/83/14/84/496831484.db2.gz HCRLTNMBHIMQJL-HCXYKTFWSA-N 2 0 358.530 3.302 10 0 FGAERP COC(=O)c1oc([C@@H](C)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1C ZINC000248649400 497071351 /nfs/dbraw/zinc/07/13/51/497071351.db2.gz KRNVVRLTLKDBIN-AEFFLSMTSA-N 2 0 371.481 3.285 10 0 FGAERP Cc1csc([C@@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000192728974 497198391 /nfs/dbraw/zinc/19/83/91/497198391.db2.gz NYXBHBKZYBCORI-GOSISDBHSA-N 2 0 350.576 3.047 10 0 FGAERP Cc1cncc(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000189873379 497275973 /nfs/dbraw/zinc/27/59/73/497275973.db2.gz JEXREMBEBQMHGW-QFIPXVFZSA-N 2 0 353.510 3.267 10 0 FGAERP Cc1ccccc1-c1noc([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000245499907 497430853 /nfs/dbraw/zinc/43/08/53/497430853.db2.gz ZCCWEAIYZILPSW-DLBZAZTESA-N 2 0 372.513 3.131 10 0 FGAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000261931367 497479087 /nfs/dbraw/zinc/47/90/87/497479087.db2.gz WHSCCJVIKOGAMP-GMWOYJHMSA-N 2 0 373.516 3.060 10 0 FGAERP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc(C[NH+]2CCCCCC2)c1 ZINC000262041202 497498045 /nfs/dbraw/zinc/49/80/45/497498045.db2.gz YPLHFVXRFVGHCG-DNVJHFABSA-N 2 0 371.569 3.309 10 0 FGAERP CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000245753195 497528418 /nfs/dbraw/zinc/52/84/18/497528418.db2.gz CPSBDGFERBTYFN-DLBZAZTESA-N 2 0 368.481 3.004 10 0 FGAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000262313878 497538375 /nfs/dbraw/zinc/53/83/75/497538375.db2.gz TZXOAXUHGOCJDM-TWFHAPMSSA-N 2 0 357.542 3.298 10 0 FGAERP CN(Cc1nc(-c2cccc(Br)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000262475227 497561783 /nfs/dbraw/zinc/56/17/83/497561783.db2.gz JOJAJCQJFXSGFB-CQSZACIVSA-N 2 0 365.275 3.073 10 0 FGAERP C[N@H+](CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000262661422 497594630 /nfs/dbraw/zinc/59/46/30/497594630.db2.gz YDGHMCSPKRRSHM-YADHBBJMSA-N 2 0 365.521 3.275 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCC3CCCCC3)C2)[nH+]1 ZINC000246105419 497623343 /nfs/dbraw/zinc/62/33/43/497623343.db2.gz ILMXPEPTPZYVRA-MJGOQNOKSA-N 2 0 358.530 3.209 10 0 FGAERP Cn1cc([C@@H]2CCC[NH+]2CCCCC[N@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000246858893 497817220 /nfs/dbraw/zinc/81/72/20/497817220.db2.gz DNDISMONCAOLDF-SFTDATJTSA-N 2 0 370.545 3.298 10 0 FGAERP c1cc2nccc(N3C[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)c2s1 ZINC000301659576 498210047 /nfs/dbraw/zinc/21/00/47/498210047.db2.gz TVDIFHAUZSLORZ-OALUTQOASA-N 2 0 351.475 3.386 10 0 FGAERP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000130091356 700795920 /nfs/dbraw/zinc/79/59/20/700795920.db2.gz YFPAATSQLVNNHO-ROUUACIJSA-N 2 0 353.551 3.344 10 0 FGAERP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156441013 705116704 /nfs/dbraw/zinc/11/67/04/705116704.db2.gz OKFVAUFDJWLNSX-AEFFLSMTSA-N 2 0 353.551 3.344 10 0 FGAERP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156591351 705123792 /nfs/dbraw/zinc/12/37/92/705123792.db2.gz SJZDQUKQSVWZGL-MLHJIOFPSA-N 2 0 353.551 3.484 10 0 FGAERP 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 713637099 /nfs/dbraw/zinc/63/70/99/713637099.db2.gz WESNIGJJSIHZDH-AJYUKVHDSA-N 2 0 351.535 3.237 10 0 FGAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000715575279 722415899 /nfs/dbraw/zinc/41/58/99/722415899.db2.gz XMJWZKBYXIFGQY-ZRDSACAASA-N 2 0 353.551 3.484 10 0 FGAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000116561164 494816082 /nfs/dbraw/zinc/81/60/82/494816082.db2.gz QDSBSUKVRMZEAG-WIYYLYMNSA-N 2 0 370.541 3.092 10 0 FGAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173540313 495581143 /nfs/dbraw/zinc/58/11/43/495581143.db2.gz SCAJDOYMKFNLKT-LEWJYISDSA-N 2 0 370.541 3.051 10 0 FGAERP CC(C)CC[NH+]1CCC(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000176539969 495689624 /nfs/dbraw/zinc/68/96/24/495689624.db2.gz OFZFTIQGONYBOI-NRFANRHFSA-N 2 0 359.558 3.034 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)Cc3ccccc3)C2)[nH+]1 ZINC000171652490 495971901 /nfs/dbraw/zinc/97/19/01/495971901.db2.gz AXIHFRUFTOOSDH-AZUAARDMSA-N 2 0 366.509 3.171 10 0 FGAERP C[N@@H+]1CCCN(CCC[NH2+]C2c3ccccc3CCc3ccccc32)CC1 ZINC000180468072 496007074 /nfs/dbraw/zinc/00/70/74/496007074.db2.gz PYVGIWOSSSQCRF-UHFFFAOYSA-N 2 0 363.549 3.492 10 0 FGAERP C[N@H+](CCc1cccnc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000172162510 496191462 /nfs/dbraw/zinc/19/14/62/496191462.db2.gz VYJDIDVYOAPMTF-QFIPXVFZSA-N 2 0 353.510 3.002 10 0 FGAERP Cc1cncc([C@@H](C)[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000184348502 496345122 /nfs/dbraw/zinc/34/51/22/496345122.db2.gz UTXQFEPUZKTJIT-XMSQKQJNSA-N 2 0 353.510 3.486 10 0 FGAERP Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1Oc1ccncc1 ZINC000246976487 496740554 /nfs/dbraw/zinc/74/05/54/496740554.db2.gz ZXNMAKZODNAPLI-AEFFLSMTSA-N 2 0 351.450 3.491 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc4c(c3)sc(=O)n4C)C2)[nH+]1 ZINC000195001407 496786758 /nfs/dbraw/zinc/78/67/58/496786758.db2.gz NTZBIIFUUVCOND-MRXNPFEDSA-N 2 0 368.506 3.237 10 0 FGAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247438267 496858470 /nfs/dbraw/zinc/85/84/70/496858470.db2.gz XLJGPETXTMXHQF-SESVDKBCSA-N 2 0 372.557 3.165 10 0 FGAERP Cc1ccc(C)c(NC(=O)[C@@H](C)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261804509 497453798 /nfs/dbraw/zinc/45/37/98/497453798.db2.gz RCGFXEJSPQNIFB-RLLQIKCJSA-N 2 0 351.494 3.305 10 0 FGAERP C[C@H]([NH2+]C1(CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCC1)c1ccccc1 ZINC000262036112 497496229 /nfs/dbraw/zinc/49/62/29/497496229.db2.gz XZKMECNCCXQLPO-BDKRGJGYSA-N 2 0 371.569 3.397 10 0 FGAERP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc(C[NH+]2CCCCCC2)c1 ZINC000262041203 497497521 /nfs/dbraw/zinc/49/75/21/497497521.db2.gz YPLHFVXRFVGHCG-YTFSRNRJSA-N 2 0 371.569 3.309 10 0 FGAERP CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000245753203 497528477 /nfs/dbraw/zinc/52/84/77/497528477.db2.gz CPSBDGFERBTYFN-IAGOWNOFSA-N 2 0 368.481 3.004 10 0 FGAERP C[N@H+](CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000262661421 497594420 /nfs/dbraw/zinc/59/44/20/497594420.db2.gz YDGHMCSPKRRSHM-VXKWHMMOSA-N 2 0 365.521 3.275 10 0 FGAERP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000194179815 497595201 /nfs/dbraw/zinc/59/52/01/497595201.db2.gz HBPPUBCTWNIOQT-QGZVFWFLSA-N 2 0 366.575 3.086 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)[C@@H]3CCCC[C@H]3C)C2)[nH+]1 ZINC000246181996 497650773 /nfs/dbraw/zinc/65/07/73/497650773.db2.gz UVQXICNRTTZDOE-NZSAHSFTSA-N 2 0 358.530 3.161 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246457378 497741398 /nfs/dbraw/zinc/74/13/98/497741398.db2.gz JHEADHOOEFPXQP-SESVDKBCSA-N 2 0 372.557 3.165 10 0 FGAERP C[NH+](C)CC1(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC000185292154 712691023 /nfs/dbraw/zinc/69/10/23/712691023.db2.gz ORQMLXBRXKTZFM-QGZVFWFLSA-N 2 0 353.551 3.345 10 0 FGAERP NC(=O)CCn1cc(C[NH2+]CCCC[NH+]2CCCCCC2)c2ccccc21 ZINC000055244026 205212016 /nfs/dbraw/zinc/21/20/16/205212016.db2.gz ULKSUXVGCDQSCA-UHFFFAOYSA-N 2 0 370.541 3.263 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(-c3ccccn3)c2)CC1 ZINC000121132619 494610626 /nfs/dbraw/zinc/61/06/26/494610626.db2.gz SYIWRCOFALCXLF-SFHVURJKSA-N 2 0 353.510 3.273 10 0 FGAERP OCC[NH+]1CCC(CNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000124734546 495334939 /nfs/dbraw/zinc/33/49/39/495334939.db2.gz VORNJSHTJWMLGK-UHFFFAOYSA-N 2 0 353.388 3.370 10 0 FGAERP CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000136956181 495412648 /nfs/dbraw/zinc/41/26/48/495412648.db2.gz FONJEOJBTIOWBD-QGZVFWFLSA-N 2 0 368.481 3.243 10 0 FGAERP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000173458399 495538958 /nfs/dbraw/zinc/53/89/58/495538958.db2.gz ZPNAOKPIZGJJKY-RYRKJORJSA-N 2 0 355.486 3.057 10 0 FGAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000171608385 495946476 /nfs/dbraw/zinc/94/64/76/495946476.db2.gz ARFRLRWYHXGCAY-JOCHJYFZSA-N 2 0 365.521 3.072 10 0 FGAERP CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186370554 495969792 /nfs/dbraw/zinc/96/97/92/495969792.db2.gz DOKGXRZOAGOYNS-HMXCVIKNSA-N 2 0 360.542 3.461 10 0 FGAERP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171651018 495970577 /nfs/dbraw/zinc/97/05/77/495970577.db2.gz WTMBMMQBSNGPME-AZUAARDMSA-N 2 0 366.509 3.137 10 0 FGAERP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000163814757 496560836 /nfs/dbraw/zinc/56/08/36/496560836.db2.gz CJCXXXPRTXCALA-QUCCMNQESA-N 2 0 351.494 3.002 10 0 FGAERP CCc1nccn1[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000246976016 496740766 /nfs/dbraw/zinc/74/07/66/496740766.db2.gz ZVKADZNWKUFTME-MOPGFXCFSA-N 2 0 370.472 3.417 10 0 FGAERP C[NH+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000247521815 496878522 /nfs/dbraw/zinc/87/85/22/496878522.db2.gz WUIMMPSTPUGJMJ-RBUKOAKNSA-N 2 0 370.493 3.102 10 0 FGAERP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000237920960 497315457 /nfs/dbraw/zinc/31/54/57/497315457.db2.gz NBFBMWPVYBVHPQ-UXHICEINSA-N 2 0 355.526 3.161 10 0 FGAERP [NH3+][C@@H]1CC[C@@H](C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000237939592 497316910 /nfs/dbraw/zinc/31/69/10/497316910.db2.gz LHVOHEXNNRGOPF-FGZHOGPDSA-N 2 0 365.521 3.323 10 0 FGAERP Cc1cccc(C)c1OCCN(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262066473 497502845 /nfs/dbraw/zinc/50/28/45/497502845.db2.gz BBTCJULLSDEDEZ-IBGZPJMESA-N 2 0 368.525 3.060 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N[C@H](C)c3ccccc3)C2)[nH+]1 ZINC000246133075 497632014 /nfs/dbraw/zinc/63/20/14/497632014.db2.gz MVCABWWGVQPSHZ-QYZOEREBSA-N 2 0 366.509 3.390 10 0 FGAERP C[C@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246142166 497636009 /nfs/dbraw/zinc/63/60/09/497636009.db2.gz NYJNLMUDLOFYEC-KGLIPLIRSA-N 2 0 360.408 3.121 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)[C@H]3CCCC[C@H]3C)C2)[nH+]1 ZINC000246181990 497650712 /nfs/dbraw/zinc/65/07/12/497650712.db2.gz UVQXICNRTTZDOE-NEWSRXKRSA-N 2 0 358.530 3.161 10 0 FGAERP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000311910187 498756458 /nfs/dbraw/zinc/75/64/58/498756458.db2.gz DZZBDFFJJWOPIC-FYZZASKESA-N 2 0 350.510 3.298 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000129948432 700793999 /nfs/dbraw/zinc/79/39/99/700793999.db2.gz UGTLTOSIBPLYBN-MSOLQXFVSA-N 2 0 353.551 3.488 10 0 FGAERP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188669648 712774583 /nfs/dbraw/zinc/77/45/83/712774583.db2.gz HOAXZOOSIQBXAG-QZTJIDSGSA-N 2 0 353.551 3.486 10 0 FGAERP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188672323 712774658 /nfs/dbraw/zinc/77/46/58/712774658.db2.gz YLHWWRTUXNAJCK-OKZBNKHCSA-N 2 0 353.551 3.486 10 0 FGAERP C[NH+](C)CCCNc1cc[nH+]c2cc(I)ccc12 ZINC000002018210 204023849 /nfs/dbraw/zinc/02/38/49/204023849.db2.gz XKUMTLINEKGTOG-UHFFFAOYSA-N 2 0 355.223 3.203 10 0 in-man FGAERP Cc1[nH+]c(N2CCc3ccccc3C2)nc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000045947621 132375329 /nfs/dbraw/zinc/37/53/29/132375329.db2.gz WUXGETLZUKBASY-KRWDZBQOSA-N 2 0 351.498 3.068 10 0 FGAERP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000067408130 494534221 /nfs/dbraw/zinc/53/42/21/494534221.db2.gz WJUWSKYKOIUROV-NRFANRHFSA-N 2 0 372.557 3.024 10 0 FGAERP CCC[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)[NH+](C)C ZINC000133561837 495028767 /nfs/dbraw/zinc/02/87/67/495028767.db2.gz WTHPEFHRPZYMMD-IBGZPJMESA-N 2 0 364.509 3.025 10 0 FGAERP O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000114562870 495392197 /nfs/dbraw/zinc/39/21/97/495392197.db2.gz JKXDTFUHOJBWPH-FGZHOGPDSA-N 2 0 360.542 3.152 10 0 FGAERP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000154545169 495650174 /nfs/dbraw/zinc/65/01/74/495650174.db2.gz ARXBCMZTECBNSY-XEPPQERFSA-N 2 0 370.541 3.129 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C12CCOCC2 ZINC000186249380 495914374 /nfs/dbraw/zinc/91/43/74/495914374.db2.gz KPCZGTIUUHWYDH-ZGXWSNOMSA-N 2 0 352.563 3.308 10 0 FGAERP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)s1 ZINC000184686428 496492710 /nfs/dbraw/zinc/49/27/10/496492710.db2.gz NWLFRISTHYUFFM-HIFRSBDPSA-N 2 0 365.930 3.471 10 0 FGAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164778647 496632141 /nfs/dbraw/zinc/63/21/41/496632141.db2.gz YUOXJUKUMPDKSW-QUCCMNQESA-N 2 0 357.542 3.134 10 0 FGAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000247487452 496870475 /nfs/dbraw/zinc/87/04/75/496870475.db2.gz KXSVCINRAAMQDH-RXVVDRJESA-N 2 0 370.541 3.051 10 0 FGAERP Cc1nnc([C@@H]2CC3(C[N@H+]2CC(C)C)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257190642 497388222 /nfs/dbraw/zinc/38/82/22/497388222.db2.gz NENXNGOSRSKRBD-IBGZPJMESA-N 2 0 369.513 3.458 10 0 FGAERP [NH3+]C[C@@H]1CN(Cc2cn(-c3ccc(Cl)cc3)nn2)C[C@H]1c1ccccc1 ZINC000261694359 497434424 /nfs/dbraw/zinc/43/44/24/497434424.db2.gz JHEBASMBGNDUNH-UZLBHIALSA-N 2 0 367.884 3.095 10 0 FGAERP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)cc2)CC1 ZINC000261886640 497469199 /nfs/dbraw/zinc/46/91/99/497469199.db2.gz FZKVQKBWPRLIMS-ZRBLBEILSA-N 2 0 371.569 3.165 10 0 FGAERP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261947776 497481346 /nfs/dbraw/zinc/48/13/46/497481346.db2.gz NUAWRJCQBUKTEX-KURKYZTESA-N 2 0 372.431 3.012 10 0 FGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)[C@H]3C2)cc1 ZINC000312598048 498761097 /nfs/dbraw/zinc/76/10/97/498761097.db2.gz XVAIZOZGMPXYDC-CMOCDZPBSA-N 2 0 370.537 3.215 10 0 FGAERP CC1CC[NH+](CCC[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000129951950 700794319 /nfs/dbraw/zinc/79/43/19/700794319.db2.gz RUDUPFOKABILRJ-SFHVURJKSA-N 2 0 353.551 3.345 10 0 FGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]([NH3+])CC[C@@H]2C(F)(F)F)cc1 ZINC000886043441 739211650 /nfs/dbraw/zinc/21/16/50/739211650.db2.gz IIVCRAYIEDUZES-JKSUJKDBSA-N 2 0 357.420 3.023 10 0 FGAERP O=c1n(C2CC[NH2+]CC2)cc(-c2ccccc2)n1CCC[NH+]1CCCCC1 ZINC000091366140 494588310 /nfs/dbraw/zinc/58/83/10/494588310.db2.gz HPXHDHUCYCRQNN-UHFFFAOYSA-N 2 0 368.525 3.117 10 0 FGAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116532610 494809735 /nfs/dbraw/zinc/80/97/35/494809735.db2.gz FRHCQODQYHWBBI-RXVVDRJESA-N 2 0 374.573 3.488 10 0 FGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106907453 495510008 /nfs/dbraw/zinc/51/00/08/495510008.db2.gz JEVMJZVBNOBMBY-SFHLNBCPSA-N 2 0 359.558 3.034 10 0 FGAERP C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182378470 495539459 /nfs/dbraw/zinc/53/94/59/495539459.db2.gz FCRYZILHEAJMTG-CUWPLCDZSA-N 2 0 372.557 3.242 10 0 FGAERP CCC[C@H](C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)[NH+](C)C ZINC000158980468 495629560 /nfs/dbraw/zinc/62/95/60/495629560.db2.gz UXSKZXNTHWBVLT-WOJBJXKFSA-N 2 0 361.530 3.069 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2OCC(F)(F)F)CC1 ZINC000173682250 495646385 /nfs/dbraw/zinc/64/63/85/495646385.db2.gz PMVBNSWFOCUJMP-OAHLLOKOSA-N 2 0 374.447 3.152 10 0 FGAERP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C12CCOCC2 ZINC000186276503 495925166 /nfs/dbraw/zinc/92/51/66/495925166.db2.gz IDNLLZAHDAETJD-YADHBBJMSA-N 2 0 372.553 3.462 10 0 FGAERP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCSc3c(F)cccc32)ncn1 ZINC000180567390 496047727 /nfs/dbraw/zinc/04/77/27/496047727.db2.gz QWLSLXPBDWWEHQ-CZUORRHYSA-N 2 0 373.501 3.453 10 0 FGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000177557794 496111631 /nfs/dbraw/zinc/11/16/31/496111631.db2.gz FRECLXIAVYSEHQ-FQEVSTJZSA-N 2 0 367.541 3.193 10 0 FGAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000156391892 496231982 /nfs/dbraw/zinc/23/19/82/496231982.db2.gz BJKDJRAXSCWHQQ-FXAWDEMLSA-N 2 0 360.546 3.056 10 0 FGAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000182143661 496686165 /nfs/dbraw/zinc/68/61/65/496686165.db2.gz DUBVHKPZCORDEO-FQEVSTJZSA-N 2 0 359.558 3.381 10 0 FGAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246997814 496746925 /nfs/dbraw/zinc/74/69/25/496746925.db2.gz GTPVEQMWPXXEGO-ZFMNYDKASA-N 2 0 372.557 3.067 10 0 FGAERP CCc1csc([C@@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000192729128 497197830 /nfs/dbraw/zinc/19/78/30/497197830.db2.gz PHGPZSAHNMCUMF-GOSISDBHSA-N 2 0 364.603 3.301 10 0 FGAERP Cc1cncc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000189873404 497276099 /nfs/dbraw/zinc/27/60/99/497276099.db2.gz JEXREMBEBQMHGW-JOCHJYFZSA-N 2 0 353.510 3.267 10 0 FGAERP CSc1ccccc1NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261743639 497443352 /nfs/dbraw/zinc/44/33/52/497443352.db2.gz MVDZFAFPWFCTKJ-MSOLQXFVSA-N 2 0 369.534 3.411 10 0 FGAERP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261757640 497445865 /nfs/dbraw/zinc/44/58/65/497445865.db2.gz NVQWBFDKUUYCEH-BHIFYINESA-N 2 0 365.521 3.270 10 0 FGAERP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261960106 497483671 /nfs/dbraw/zinc/48/36/71/497483671.db2.gz PLSWIEAHJUYWCZ-YTFSRNRJSA-N 2 0 371.569 3.309 10 0 FGAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000245678851 497498759 /nfs/dbraw/zinc/49/87/59/497498759.db2.gz GFAPRLMTXSKSEE-HMXCVIKNSA-N 2 0 372.557 3.165 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccccc3C)C2)[nH+]1 ZINC000246143780 497636288 /nfs/dbraw/zinc/63/62/88/497636288.db2.gz ODZCOVNWMZDVQL-MOPGFXCFSA-N 2 0 366.509 3.137 10 0 FGAERP CCn1nc(C)c([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000397624468 499564738 /nfs/dbraw/zinc/56/47/38/499564738.db2.gz KCBQPAILDJNRQY-KRWDZBQOSA-N 2 0 370.541 3.198 10 0 FGAERP C[NH+](C)CC1CCC([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000119925364 700643168 /nfs/dbraw/zinc/64/31/68/700643168.db2.gz UIXAKQGSCYMKNL-LXPRWKDFSA-N 2 0 353.551 3.344 10 0 FGAERP CC[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cc(Br)ccc1O ZINC000155277938 705070570 /nfs/dbraw/zinc/07/05/70/705070570.db2.gz XVDAVFGAEWEYIS-ZBFHGGJFSA-N 2 0 371.319 3.042 10 0 FGAERP C[C@H](CC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000184335149 712671030 /nfs/dbraw/zinc/67/10/30/712671030.db2.gz BZBSKTFOVOMQDG-QZTJIDSGSA-N 2 0 353.551 3.488 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000072810382 494255579 /nfs/dbraw/zinc/25/55/79/494255579.db2.gz JZDJUKODEUQHMI-BAGYTPMASA-N 2 0 371.569 3.272 10 0 FGAERP COc1ccccc1C[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C(C)C ZINC000132558790 494892464 /nfs/dbraw/zinc/89/24/64/494892464.db2.gz OWEYTSBSCFYSAD-LEWJYISDSA-N 2 0 361.574 3.124 10 0 FGAERP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000123325765 495115175 /nfs/dbraw/zinc/11/51/75/495115175.db2.gz ICVKSHHUBCOGEX-HXUWFJFHSA-N 2 0 368.949 3.271 10 0 FGAERP CCc1cc(N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c2ccccc2[nH+]1 ZINC000124746919 495336701 /nfs/dbraw/zinc/33/67/01/495336701.db2.gz FJFRFFSITLZKSV-UHFFFAOYSA-N 2 0 363.509 3.470 10 0 FGAERP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000136956959 495412435 /nfs/dbraw/zinc/41/24/35/495412435.db2.gz GXSNHLNGHOCSEV-QGZVFWFLSA-N 2 0 368.481 3.243 10 0 FGAERP CC(C)c1nc(CN(C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)no1 ZINC000106127032 495416945 /nfs/dbraw/zinc/41/69/45/495416945.db2.gz PPEMMVGBOIHFGG-LJQANCHMSA-N 2 0 372.513 3.070 10 0 FGAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173540298 495580654 /nfs/dbraw/zinc/58/06/54/495580654.db2.gz SCAJDOYMKFNLKT-NHCUHLMSSA-N 2 0 370.541 3.051 10 0 FGAERP CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180644114 496084865 /nfs/dbraw/zinc/08/48/65/496084865.db2.gz PAVJGOKADNWLHB-WMZOPIPTSA-N 2 0 371.529 3.008 10 0 FGAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000177518461 496094934 /nfs/dbraw/zinc/09/49/34/496094934.db2.gz SMJOBKHOFCYUEM-RXVVDRJESA-N 2 0 372.557 3.338 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000177710555 496168683 /nfs/dbraw/zinc/16/86/83/496168683.db2.gz VMSMOIAALXWADC-CYBMUJFWSA-N 2 0 373.310 3.113 10 0 FGAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248390620 496991564 /nfs/dbraw/zinc/99/15/64/496991564.db2.gz BKMYWVHBNZEEBS-WSTZPKSXSA-N 2 0 364.578 3.059 10 0 FGAERP [NH3+][C@H]1CC[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000237926180 497314752 /nfs/dbraw/zinc/31/47/52/497314752.db2.gz NBFBMWPVYBVHPQ-PMACEKPBSA-N 2 0 355.526 3.161 10 0 FGAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000261931369 497478522 /nfs/dbraw/zinc/47/85/22/497478522.db2.gz WHSCCJVIKOGAMP-XGNNGGHXSA-N 2 0 373.516 3.060 10 0 FGAERP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246280986 497682451 /nfs/dbraw/zinc/68/24/51/497682451.db2.gz BNNSCEQSUIVRQE-MDZRGWNJSA-N 2 0 365.949 3.395 10 0 FGAERP C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246759900 497808607 /nfs/dbraw/zinc/80/86/07/497808607.db2.gz NRMOZFXBMUCEIP-GJZGRUSLSA-N 2 0 350.426 3.022 10 0 FGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)[C@@H]3C2)cc1 ZINC000312598047 498761949 /nfs/dbraw/zinc/76/19/49/498761949.db2.gz XVAIZOZGMPXYDC-CBPXPLCBSA-N 2 0 370.537 3.215 10 0 FGAERP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000379659838 499542541 /nfs/dbraw/zinc/54/25/41/499542541.db2.gz BFOLJIDETOGCBU-UNMCSNQZSA-N 2 0 363.505 3.044 10 0 FGAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000129948701 700793930 /nfs/dbraw/zinc/79/39/30/700793930.db2.gz UGTLTOSIBPLYBN-ROUUACIJSA-N 2 0 353.551 3.488 10 0 FGAERP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188669624 712774678 /nfs/dbraw/zinc/77/46/78/712774678.db2.gz HOAXZOOSIQBXAG-ZWKOTPCHSA-N 2 0 353.551 3.486 10 0 FGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]([NH3+])CC[C@H]2C(F)(F)F)cc1 ZINC000886043438 739211683 /nfs/dbraw/zinc/21/16/83/739211683.db2.gz IIVCRAYIEDUZES-CVEARBPZSA-N 2 0 357.420 3.023 10 0 FGAERP C[NH+](C)C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000056937509 494597789 /nfs/dbraw/zinc/59/77/89/494597789.db2.gz XVZBCNJMKIVIID-PMACEKPBSA-N 2 0 372.488 3.031 10 0 FGAERP CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000127319934 494927673 /nfs/dbraw/zinc/92/76/73/494927673.db2.gz QYUCEVHNBUPGQQ-IBGZPJMESA-N 2 0 374.529 3.157 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000101587048 495083417 /nfs/dbraw/zinc/08/34/17/495083417.db2.gz ZMOXKKPBRMHGKG-MRXNPFEDSA-N 2 0 356.445 3.292 10 0 FGAERP CCc1noc([C@H](C)N(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000106127678 495417047 /nfs/dbraw/zinc/41/70/47/495417047.db2.gz CVKPVEXBTPPZIR-LPHOPBHVSA-N 2 0 372.513 3.070 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccccc2C(F)(F)F)CC1 ZINC000106124622 495417073 /nfs/dbraw/zinc/41/70/73/495417073.db2.gz ISSSAGGFPLNAEW-HNNXBMFYSA-N 2 0 374.447 3.109 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(CN(C)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000106124843 495417724 /nfs/dbraw/zinc/41/77/24/495417724.db2.gz HCFXSOUEVNZIEI-QGZVFWFLSA-N 2 0 373.566 3.259 10 0 FGAERP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000176539959 495690229 /nfs/dbraw/zinc/69/02/29/495690229.db2.gz OFZFTIQGONYBOI-OAQYLSRUSA-N 2 0 359.558 3.034 10 0 FGAERP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C12CCOCC2 ZINC000186215946 495898714 /nfs/dbraw/zinc/89/87/14/495898714.db2.gz LUQYFLNIHAVEFE-RTWAWAEBSA-N 2 0 358.526 3.346 10 0 FGAERP CCC[C@@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[NH+](C)C ZINC000162228996 496318625 /nfs/dbraw/zinc/31/86/25/496318625.db2.gz UMHSPJIRWDKPQO-FQEVSTJZSA-N 2 0 360.546 3.133 10 0 FGAERP Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(Br)c1 ZINC000178322368 496412577 /nfs/dbraw/zinc/41/25/77/496412577.db2.gz SRBWXPOUCOEWJL-SJORKVTESA-N 2 0 364.287 3.152 10 0 FGAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000247536728 496883129 /nfs/dbraw/zinc/88/31/29/496883129.db2.gz QDSBSUKVRMZEAG-NQIIRXRSSA-N 2 0 370.541 3.092 10 0 FGAERP C[C@H](C(=O)N(C)C1CCCCC1)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248651370 497072863 /nfs/dbraw/zinc/07/28/63/497072863.db2.gz MXCUYZXKMDJBFH-QUCCMNQESA-N 2 0 372.557 3.015 10 0 FGAERP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)C12CCOCC2 ZINC000249008109 497149901 /nfs/dbraw/zinc/14/99/01/497149901.db2.gz OFTBIFLAOQRAQG-NSISKUIASA-N 2 0 355.482 3.497 10 0 FGAERP [NH3+][C@@H]1CC[C@H](C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000237959426 497319926 /nfs/dbraw/zinc/31/99/26/497319926.db2.gz LHVOHEXNNRGOPF-FCHUYYIVSA-N 2 0 365.521 3.323 10 0 FGAERP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C1 ZINC000261928224 497477315 /nfs/dbraw/zinc/47/73/15/497477315.db2.gz LKIZEVFTPHSIIV-YJSIEXFISA-N 2 0 371.569 3.165 10 0 FGAERP C[C@H]([NH2+]C1(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCC1)c1ccccc1 ZINC000262036113 497496624 /nfs/dbraw/zinc/49/66/24/497496624.db2.gz XZKMECNCCXQLPO-PDGJWGCVSA-N 2 0 371.569 3.397 10 0 FGAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000246273729 497679814 /nfs/dbraw/zinc/67/98/14/497679814.db2.gz JCIAKLVHXXZHMZ-HMXCVIKNSA-N 2 0 372.557 3.023 10 0 FGAERP CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246280965 497682976 /nfs/dbraw/zinc/68/29/76/497682976.db2.gz BNNSCEQSUIVRQE-GPMSIDNRSA-N 2 0 365.949 3.395 10 0 FGAERP Cc1cccc(NC[C@H]2CCN([C@H]3CCN(c4ccccc4F)C3=O)C2)[nH+]1 ZINC000246596030 497784762 /nfs/dbraw/zinc/78/47/62/497784762.db2.gz PNZLWWGMHORXGQ-APWZRJJASA-N 2 0 368.456 3.068 10 0 FGAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246750860 497808045 /nfs/dbraw/zinc/80/80/45/497808045.db2.gz BJKDJRAXSCWHQQ-YLJYHZDGSA-N 2 0 360.546 3.056 10 0 FGAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000105784848 700504871 /nfs/dbraw/zinc/50/48/71/700504871.db2.gz GPWYCCFVKRCHSN-FGTMMUONSA-N 2 0 353.551 3.344 10 0 FGAERP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000380957290 713977522 /nfs/dbraw/zinc/97/75/22/713977522.db2.gz AHPZQHLBLQJOHO-SJORKVTESA-N 2 0 353.551 3.344 10 0 FGAERP CC1CC[NH+](CCCCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000045185859 494404265 /nfs/dbraw/zinc/40/42/65/494404265.db2.gz YIHSXUMJJJMONV-HXUWFJFHSA-N 2 0 360.546 3.101 10 0 FGAERP C[NH+](C)C[C@@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000056937511 494597676 /nfs/dbraw/zinc/59/76/76/494597676.db2.gz XVZBCNJMKIVIID-UXHICEINSA-N 2 0 372.488 3.031 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(-c3cccnc3)c2)CC1 ZINC000121106550 494598273 /nfs/dbraw/zinc/59/82/73/494598273.db2.gz GFQVXKZCKZUSSD-GOSISDBHSA-N 2 0 353.510 3.273 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc(-c3cccs3)s2)CC1 ZINC000121130355 494610028 /nfs/dbraw/zinc/61/00/28/494610028.db2.gz DTDNMMQUBQSGDA-CQSZACIVSA-N 2 0 365.568 3.396 10 0 FGAERP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(Br)c1 ZINC000121131963 494610773 /nfs/dbraw/zinc/61/07/73/494610773.db2.gz RNCWRMSZELJRDZ-OAHLLOKOSA-N 2 0 369.347 3.282 10 0 FGAERP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCC[N@H+](CC)C2)cc1 ZINC000118545941 495008569 /nfs/dbraw/zinc/00/85/69/495008569.db2.gz NQKBSNAHPAMPMN-SFHVURJKSA-N 2 0 362.518 3.013 10 0 FGAERP C[C@H](O)C[NH+]1CCC(CN(C)Cc2csc(Nc3ccccc3)n2)CC1 ZINC000106124944 495417216 /nfs/dbraw/zinc/41/72/16/495417216.db2.gz CMCOPJZNOFVMAE-INIZCTEOSA-N 2 0 374.554 3.411 10 0 FGAERP Cc1noc(C)c1C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128036 495418453 /nfs/dbraw/zinc/41/84/53/495418453.db2.gz LUIGJOBFNUVTSO-OAQYLSRUSA-N 2 0 357.498 3.169 10 0 FGAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000173568133 495591853 /nfs/dbraw/zinc/59/18/53/495591853.db2.gz PFICSAAQNBGDGR-NHCUHLMSSA-N 2 0 370.541 3.051 10 0 FGAERP C[C@H](C[NH2+]C1c2ccccc2CCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000180439715 495996582 /nfs/dbraw/zinc/99/65/82/495996582.db2.gz PTGFRNDISGEXRN-LJQANCHMSA-N 2 0 363.549 3.348 10 0 FGAERP Cc1cncc([C@H](C)[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000184348519 496344791 /nfs/dbraw/zinc/34/47/91/496344791.db2.gz UTXQFEPUZKTJIT-PGRDOPGGSA-N 2 0 353.510 3.486 10 0 FGAERP CCC[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000247855876 496921322 /nfs/dbraw/zinc/92/13/22/496921322.db2.gz YDHHDPQJBKOOJK-OLMNPRSZSA-N 2 0 369.912 3.318 10 0 FGAERP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)cc2)CC1 ZINC000261886638 497468845 /nfs/dbraw/zinc/46/88/45/497468845.db2.gz FZKVQKBWPRLIMS-YTFSRNRJSA-N 2 0 371.569 3.165 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261983023 497487998 /nfs/dbraw/zinc/48/79/98/497487998.db2.gz RWPAWVZLZOKREN-RLLPEYFOSA-N 2 0 371.569 3.308 10 0 FGAERP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc(C[NH+]2CCCCCC2)c1 ZINC000262041205 497497740 /nfs/dbraw/zinc/49/77/40/497497740.db2.gz YPLHFVXRFVGHCG-ZRBLBEILSA-N 2 0 371.569 3.309 10 0 FGAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246003976 497594659 /nfs/dbraw/zinc/59/46/59/497594659.db2.gz GCYYPHCXKNLIEP-DBXWQHBBSA-N 2 0 372.557 3.010 10 0 FGAERP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784273 700504935 /nfs/dbraw/zinc/50/49/35/700504935.db2.gz LHTWRJJRAJIFRD-ULQDDVLXSA-N 2 0 351.535 3.096 10 0 FGAERP Cc1nccn1CCCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000174453662 705504978 /nfs/dbraw/zinc/50/49/78/705504978.db2.gz LIIPZUKOSZRBIK-KRWDZBQOSA-N 2 0 350.507 3.208 10 0 FGAERP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261755407 713713856 /nfs/dbraw/zinc/71/38/56/713713856.db2.gz CLPITHCROSRJKR-INIZCTEOSA-N 2 0 356.539 3.373 10 0 FGAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000301314900 713781704 /nfs/dbraw/zinc/78/17/04/713781704.db2.gz SPBGRGFJBYSEFI-OKZBNKHCSA-N 2 0 353.551 3.342 10 0 FGAERP C[N@H+](C[C@H](O)COCc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110045 493825437 /nfs/dbraw/zinc/82/54/37/493825437.db2.gz OMBAJEUUEHXDOP-PKTZIBPZSA-N 2 0 368.521 3.018 10 0 FGAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103305078 495217147 /nfs/dbraw/zinc/21/71/47/495217147.db2.gz KRSCOAHSVDJASR-OALUTQOASA-N 2 0 352.567 3.014 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCOc2cccc(Cl)c2)CC1 ZINC000106124576 495417038 /nfs/dbraw/zinc/41/70/38/495417038.db2.gz GCGLJKDJQQXKSC-INIZCTEOSA-N 2 0 354.922 3.134 10 0 FGAERP C[N@H+](CCc1ccccn1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128325 495418522 /nfs/dbraw/zinc/41/85/22/495418522.db2.gz LIZXGRFQVBCFKX-QFIPXVFZSA-N 2 0 353.510 3.002 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2OCC(F)(F)F)CC1 ZINC000173682236 495645658 /nfs/dbraw/zinc/64/56/58/495645658.db2.gz PMVBNSWFOCUJMP-HNNXBMFYSA-N 2 0 374.447 3.152 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)Cc3ccccc3)C2)[nH+]1 ZINC000171652488 495972193 /nfs/dbraw/zinc/97/21/93/495972193.db2.gz AXIHFRUFTOOSDH-ICSRJNTNSA-N 2 0 366.509 3.171 10 0 FGAERP CCOC(=O)[C@H](c1ccccc1)N1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171922983 496093332 /nfs/dbraw/zinc/09/33/32/496093332.db2.gz RNPRESLWCLRFIS-XLIONFOSSA-N 2 0 353.466 3.428 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152701987 496231028 /nfs/dbraw/zinc/23/10/28/496231028.db2.gz GFXUQSBBVVMPQK-SOAGJPPSSA-N 2 0 364.578 3.155 10 0 FGAERP CC1(C)[C@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000181715198 496514191 /nfs/dbraw/zinc/51/41/91/496514191.db2.gz SIAFPOXNSCYXGP-KJJMTIBFSA-N 2 0 372.553 3.225 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000236880764 497161345 /nfs/dbraw/zinc/16/13/45/497161345.db2.gz PEUKEYKGNJQVMB-IIDMSEBBSA-N 2 0 351.922 3.357 10 0 FGAERP O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000238039462 497331505 /nfs/dbraw/zinc/33/15/05/497331505.db2.gz YMZBAYMTYHEKAH-QFIPXVFZSA-N 2 0 363.505 3.318 10 0 FGAERP COc1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000261940048 497479868 /nfs/dbraw/zinc/47/98/68/497479868.db2.gz DOSVHKJHDIHEBF-KKSFZXQISA-N 2 0 362.477 3.327 10 0 FGAERP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000245683790 497500656 /nfs/dbraw/zinc/50/06/56/497500656.db2.gz GTAKJBQWPREXRZ-LEWJYISDSA-N 2 0 372.557 3.024 10 0 FGAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246849633 497816269 /nfs/dbraw/zinc/81/62/69/497816269.db2.gz FGMFGGMTSHRDCG-XLIONFOSSA-N 2 0 360.546 3.056 10 0 FGAERP COc1ccc(C[NH2+]C[C@@H]2CCCN(C3CC3)[C@H]2c2ccnn2C)cc1 ZINC000284704709 497873413 /nfs/dbraw/zinc/87/34/13/497873413.db2.gz YZBQPEBDOIWGTM-LAUBAEHRSA-N 2 0 354.498 3.134 10 0 FGAERP 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 713637158 /nfs/dbraw/zinc/63/71/58/713637158.db2.gz WESNIGJJSIHZDH-VGUREELVSA-N 2 0 351.535 3.237 10 0 FGAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000715559175 722415910 /nfs/dbraw/zinc/41/59/10/722415910.db2.gz SJZDQUKQSVWZGL-WNRNVDISSA-N 2 0 353.551 3.484 10 0 FGAERP COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(OC)c1OC ZINC000092813115 494759609 /nfs/dbraw/zinc/75/96/09/494759609.db2.gz VQTRFTHIHQSQNE-INIZCTEOSA-N 2 0 371.481 3.350 10 0 FGAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000112918472 495257351 /nfs/dbraw/zinc/25/73/51/495257351.db2.gz OYCOYLDKCAJUHU-OAQYLSRUSA-N 2 0 359.558 3.130 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccsc1 ZINC000105124007 495338916 /nfs/dbraw/zinc/33/89/16/495338916.db2.gz DRTUZHLQESYMTC-QZTJIDSGSA-N 2 0 364.559 3.011 10 0 FGAERP CCC[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[NH+](C)C ZINC000130138873 495346792 /nfs/dbraw/zinc/34/67/92/495346792.db2.gz YVBXFEVUOQHRCU-IBGZPJMESA-N 2 0 374.529 3.170 10 0 FGAERP C[N@H+](CCc1ccncc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128246 495418753 /nfs/dbraw/zinc/41/87/53/495418753.db2.gz BMTOOKVCZAHMPY-JOCHJYFZSA-N 2 0 353.510 3.002 10 0 FGAERP CCC[C@@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1)[NH+](C)C ZINC000137053328 495420336 /nfs/dbraw/zinc/42/03/36/495420336.db2.gz IWVKDBAIKGELRF-OALUTQOASA-N 2 0 361.530 3.069 10 0 FGAERP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106455143 495456950 /nfs/dbraw/zinc/45/69/50/495456950.db2.gz LEWXHKHSPJCJBV-JOCHJYFZSA-N 2 0 367.537 3.318 10 0 FGAERP CCC[C@H](C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)c1ccccc1 ZINC000180090161 495854872 /nfs/dbraw/zinc/85/48/72/495854872.db2.gz LKRJUCXZDPVJNY-DHIUTWEWSA-N 2 0 373.585 3.297 10 0 FGAERP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000174410669 495946583 /nfs/dbraw/zinc/94/65/83/495946583.db2.gz GFAPRLMTXSKSEE-NRSPTQNISA-N 2 0 372.557 3.165 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccccc3C)C2)[nH+]1 ZINC000171650153 495969205 /nfs/dbraw/zinc/96/92/05/495969205.db2.gz ODZCOVNWMZDVQL-RBUKOAKNSA-N 2 0 366.509 3.137 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)C12CCOCC2 ZINC000186376210 495972444 /nfs/dbraw/zinc/97/24/44/495972444.db2.gz UFRMUOZDMKMGJY-VQTJNVASSA-N 2 0 352.563 3.308 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175191584 496285423 /nfs/dbraw/zinc/28/54/23/496285423.db2.gz NNQHGCDDKIZOHO-HNNXBMFYSA-N 2 0 361.461 3.005 10 0 FGAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246997779 496746858 /nfs/dbraw/zinc/74/68/58/496746858.db2.gz GTPVEQMWPXXEGO-UKAVVXHISA-N 2 0 372.557 3.067 10 0 FGAERP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000247109511 496781907 /nfs/dbraw/zinc/78/19/07/496781907.db2.gz DUHIZKMYOWPACI-NHCUHLMSSA-N 2 0 372.557 3.024 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000245461973 497419263 /nfs/dbraw/zinc/41/92/63/497419263.db2.gz GDPYLPFAOFPAJO-IEBWSBKVSA-N 2 0 360.546 3.242 10 0 FGAERP C[C@@H](C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000261954070 497482553 /nfs/dbraw/zinc/48/25/53/497482553.db2.gz OJYNMXKCWGRUHF-QFBILLFUSA-N 2 0 356.489 3.307 10 0 FGAERP CC1CC[NH+]([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000261958355 497482568 /nfs/dbraw/zinc/48/25/68/497482568.db2.gz PFEUTYMKFZSLFK-WBADGQHESA-N 2 0 371.569 3.206 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000262297293 497536589 /nfs/dbraw/zinc/53/65/89/497536589.db2.gz PEUKEYKGNJQVMB-RVKKMQEKSA-N 2 0 351.922 3.357 10 0 FGAERP C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246142157 497636055 /nfs/dbraw/zinc/63/60/55/497636055.db2.gz NYJNLMUDLOFYEC-KBPBESRZSA-N 2 0 360.408 3.121 10 0 FGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246326085 497696488 /nfs/dbraw/zinc/69/64/88/497696488.db2.gz JEVMJZVBNOBMBY-SBHAEUEKSA-N 2 0 359.558 3.034 10 0 FGAERP CC(C)N1C[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)[C@@H](C)C1 ZINC000246390924 497718522 /nfs/dbraw/zinc/71/85/22/497718522.db2.gz KXAVECJIUMZABC-FCEWJHQRSA-N 2 0 365.949 3.395 10 0 FGAERP COC(=O)C1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000311494673 498751911 /nfs/dbraw/zinc/75/19/11/498751911.db2.gz CWNLFYMMUFKLEA-SSXNTNPLSA-N 2 0 356.510 3.218 10 0 FGAERP C[C@@H](CCON1C(=N)NC(=[NH2+])NC1(C)C)c1ccc(Cl)c(Cl)c1 ZINC000045227837 208327680 /nfs/dbraw/zinc/32/76/80/208327680.db2.gz ASHJGOWRSXGHTC-VIFPVBQESA-N 2 0 358.273 3.100 10 0 FGAERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000048745041 257344083 /nfs/dbraw/zinc/34/40/83/257344083.db2.gz OLMVYWBMRCQDCW-SFHVURJKSA-N 2 0 361.493 3.366 10 0 FGAERP Cc1cc2[nH]c(C(=O)NCCC[NH+](C)C)c(C[NH+]3CCCCC3)c2s1 ZINC000065138921 494174886 /nfs/dbraw/zinc/17/48/86/494174886.db2.gz PHVJGIYPEJMQLT-UHFFFAOYSA-N 2 0 362.543 3.205 10 0 FGAERP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1Br ZINC000121120041 494605767 /nfs/dbraw/zinc/60/57/67/494605767.db2.gz ZQTKAUGFYBWUMA-HNNXBMFYSA-N 2 0 369.347 3.282 10 0 FGAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116532614 494809949 /nfs/dbraw/zinc/80/99/49/494809949.db2.gz FRHCQODQYHWBBI-NQIIRXRSSA-N 2 0 374.573 3.488 10 0 FGAERP CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000127320172 494927260 /nfs/dbraw/zinc/92/72/60/494927260.db2.gz QYUCEVHNBUPGQQ-LJQANCHMSA-N 2 0 374.529 3.157 10 0 FGAERP CCN1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000133062596 494963052 /nfs/dbraw/zinc/96/30/52/494963052.db2.gz NIVNCFLPXBZBNA-DZGCQCFKSA-N 2 0 373.419 3.376 10 0 FGAERP O[C@@H](COCc1ccccc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000114562872 495391610 /nfs/dbraw/zinc/39/16/10/495391610.db2.gz JKXDTFUHOJBWPH-FCHUYYIVSA-N 2 0 360.542 3.152 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000176359019 495618971 /nfs/dbraw/zinc/61/89/71/495618971.db2.gz GDPYLPFAOFPAJO-PKOBYXMFSA-N 2 0 360.546 3.242 10 0 FGAERP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000154573107 495658036 /nfs/dbraw/zinc/65/80/36/495658036.db2.gz RHBSJRDXZBMIOR-MAUKXSAKSA-N 2 0 356.470 3.082 10 0 FGAERP CCC[C@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[NH+](C)C ZINC000186130991 495867250 /nfs/dbraw/zinc/86/72/50/495867250.db2.gz VGMYRWZBFIXLHK-HZPDHXFCSA-N 2 0 359.436 3.155 10 0 FGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cncc(F)c1 ZINC000151935593 495997650 /nfs/dbraw/zinc/99/76/50/495997650.db2.gz DCCABKSPSXQHPW-IIBYNOLFSA-N 2 0 357.473 3.317 10 0 FGAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177329346 496020731 /nfs/dbraw/zinc/02/07/31/496020731.db2.gz YXUBXEQMBFKBBW-HXUWFJFHSA-N 2 0 360.546 3.154 10 0 FGAERP Cc1nccn1C[C@H]1CCCN1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000175783341 496543238 /nfs/dbraw/zinc/54/32/38/496543238.db2.gz DABZTJFTRXYDBS-LJQANCHMSA-N 2 0 361.534 3.020 10 0 FGAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247536626 496882858 /nfs/dbraw/zinc/88/28/58/496882858.db2.gz QCXQKEQVPVLKSQ-DBXWQHBBSA-N 2 0 370.541 3.090 10 0 FGAERP Cn1cc(-c2ccc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)s2)cn1 ZINC000261913083 497474841 /nfs/dbraw/zinc/47/48/41/497474841.db2.gz JNUKMQOOWQOHOQ-APWZRJJASA-N 2 0 352.507 3.323 10 0 FGAERP CCCc1ccc(C(=O)N(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000261947313 497481475 /nfs/dbraw/zinc/48/14/75/497481475.db2.gz YMZDIYVDLGKRDK-LJQANCHMSA-N 2 0 366.509 3.157 10 0 FGAERP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261960105 497483644 /nfs/dbraw/zinc/48/36/44/497483644.db2.gz PLSWIEAHJUYWCZ-DNVJHFABSA-N 2 0 371.569 3.309 10 0 FGAERP O[C@@H](CNc1cc[nH+]c2cc(F)ccc12)C[N@@H+]1CCc2ccccc2C1 ZINC000301526827 498148976 /nfs/dbraw/zinc/14/89/76/498148976.db2.gz NRVGFKHNGPFTSD-SFHVURJKSA-N 2 0 351.425 3.205 10 0 FGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)[C@H]3C2)cc1 ZINC000312598050 498760870 /nfs/dbraw/zinc/76/08/70/498760870.db2.gz XVAIZOZGMPXYDC-LRSLUSHPSA-N 2 0 370.537 3.215 10 0 FGAERP c1[nH]nc2c1cccc2C[N@H+]1CCC[C@@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000583623790 506882597 /nfs/dbraw/zinc/88/25/97/506882597.db2.gz KVLHPSSLOZKXTF-GOSISDBHSA-N 2 0 364.497 3.261 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(CSC(F)F)o2)CC1 ZINC000121141069 700666858 /nfs/dbraw/zinc/66/68/58/700666858.db2.gz NZSGIIMBUQLMHP-CYBMUJFWSA-N 2 0 362.486 3.260 10 0 FGAERP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000123388403 700704177 /nfs/dbraw/zinc/70/41/77/700704177.db2.gz LRVRXRBWKOWBLH-CCNLRDMRSA-N 2 0 351.535 3.237 10 0 FGAERP C[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000130011801 700794749 /nfs/dbraw/zinc/79/47/49/700794749.db2.gz MYZNFXRXSXVVRV-ROUUACIJSA-N 2 0 353.551 3.345 10 0 FGAERP CCOc1c(Br)cc(C[NH2+]CCC[NH3+])cc1Br ZINC000037713718 208184692 /nfs/dbraw/zinc/18/46/92/208184692.db2.gz GQMFDBJHBKRJRS-UHFFFAOYSA-N 2 0 366.097 3.049 10 0 FGAERP Cc1[nH+]c(N2CCc3ccccc3C2)nc(NCC2CC[NH2+]CC2)c1C ZINC000045947608 132375363 /nfs/dbraw/zinc/37/53/63/132375363.db2.gz HYEVZKDGUJQYCM-UHFFFAOYSA-N 2 0 351.498 3.068 10 0 FGAERP CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000180511967 496027379 /nfs/dbraw/zinc/02/73/79/496027379.db2.gz HVIDPDGDAMJWDT-SJLPKXTDSA-N 2 0 371.529 3.008 10 0 FGAERP CCOC(=O)[C@@H](c1ccccc1)N1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171922982 496093733 /nfs/dbraw/zinc/09/37/33/496093733.db2.gz RNPRESLWCLRFIS-YLJYHZDGSA-N 2 0 353.466 3.428 10 0 FGAERP CC(C)n1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000172014300 496130254 /nfs/dbraw/zinc/13/02/54/496130254.db2.gz IFZPMNHMEBWLCI-QFIPXVFZSA-N 2 0 370.541 3.341 10 0 FGAERP CNc1cc(N2CCC[C@@H]2CN[C@@H](C)c2ncc(C(C)(C)C)o2)ncn1 ZINC000175184726 496281745 /nfs/dbraw/zinc/28/17/45/496281745.db2.gz IWZSQMACEOKONV-UONOGXRCSA-N 2 0 358.490 3.123 10 0 FGAERP Cn1cc([C@H]2CCC[NH+]2CCCCC[N@H+]2CCC[C@@H]2c2cnn(C)c2)cn1 ZINC000157886643 496576754 /nfs/dbraw/zinc/57/67/54/496576754.db2.gz DNDISMONCAOLDF-NHCUHLMSSA-N 2 0 370.545 3.298 10 0 FGAERP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000247202894 496804457 /nfs/dbraw/zinc/80/44/57/496804457.db2.gz XHSRQDUSLRXVEZ-FIKGOQFSSA-N 2 0 368.525 3.484 10 0 FGAERP C[N@H+](C[C@@H](O)c1ccccc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247804659 496916240 /nfs/dbraw/zinc/91/62/40/496916240.db2.gz SGDYDZMFJGKGGM-DHIUTWEWSA-N 2 0 368.521 3.097 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)C12CCOCC2 ZINC000249008107 497150330 /nfs/dbraw/zinc/15/03/30/497150330.db2.gz OFTBIFLAOQRAQG-LSTHTHJFSA-N 2 0 355.482 3.497 10 0 FGAERP O[C@H](COCc1ccc(Cl)cc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193080830 497296674 /nfs/dbraw/zinc/29/66/74/497296674.db2.gz NMDKYYZFPPDYIS-FQEVSTJZSA-N 2 0 366.933 3.025 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC000245435670 497405287 /nfs/dbraw/zinc/40/52/87/497405287.db2.gz TWFNTHRVKCLDAJ-FXAWDEMLSA-N 2 0 374.529 3.028 10 0 FGAERP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261968908 497485279 /nfs/dbraw/zinc/48/52/79/497485279.db2.gz QJNMIOVTLVICBB-DNVJHFABSA-N 2 0 371.569 3.309 10 0 FGAERP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262326723 497540983 /nfs/dbraw/zinc/54/09/83/497540983.db2.gz GCWKTYVEMPKXSL-NVXWUHKLSA-N 2 0 371.447 3.113 10 0 FGAERP COC(=O)C1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000311494678 498751325 /nfs/dbraw/zinc/75/13/25/498751325.db2.gz CWNLFYMMUFKLEA-YWHRJQNKSA-N 2 0 356.510 3.218 10 0 FGAERP COC(=O)C1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000311494676 498753199 /nfs/dbraw/zinc/75/31/99/498753199.db2.gz CWNLFYMMUFKLEA-YCHQTSKFSA-N 2 0 356.510 3.218 10 0 FGAERP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCCN(c4cccnn4)C3)CC2)C1 ZINC000089733429 494350385 /nfs/dbraw/zinc/35/03/85/494350385.db2.gz BBOJRDDKQFAMNV-RLLQIKCJSA-N 2 0 357.546 3.078 10 0 FGAERP Cc1cccc(C)c1OCCC[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000112697848 495224372 /nfs/dbraw/zinc/22/43/72/495224372.db2.gz LHNOIOXCNDHQQB-UHFFFAOYSA-N 2 0 370.541 3.365 10 0 FGAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)cc2)C1 ZINC000170829378 495618262 /nfs/dbraw/zinc/61/82/62/495618262.db2.gz RERBZBRQQVCZIU-UEXGIBASSA-N 2 0 372.557 3.010 10 0 FGAERP CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180500501 496022720 /nfs/dbraw/zinc/02/27/20/496022720.db2.gz RLNHWHKURLALHD-WMZOPIPTSA-N 2 0 371.529 3.008 10 0 FGAERP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000177866107 496230343 /nfs/dbraw/zinc/23/03/43/496230343.db2.gz DUHIZKMYOWPACI-RTWAWAEBSA-N 2 0 372.557 3.024 10 0 FGAERP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)s1 ZINC000184686451 496492494 /nfs/dbraw/zinc/49/24/94/496492494.db2.gz NWLFRISTHYUFFM-DZGCQCFKSA-N 2 0 365.930 3.471 10 0 FGAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247121363 496786168 /nfs/dbraw/zinc/78/61/68/496786168.db2.gz FTFWQCFJAUBSCS-MSOLQXFVSA-N 2 0 374.529 3.108 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)C2)[nH+]1 ZINC000247310523 496831304 /nfs/dbraw/zinc/83/13/04/496831304.db2.gz HCRLTNMBHIMQJL-MKXGPGLRSA-N 2 0 358.530 3.302 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)C12CCOCC2 ZINC000248910018 497132441 /nfs/dbraw/zinc/13/24/41/497132441.db2.gz BWZVGHUTWSCXPJ-PCCBWWKXSA-N 2 0 358.526 3.215 10 0 FGAERP CC(C)N(C)c1ccc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000261656525 497428029 /nfs/dbraw/zinc/42/80/29/497428029.db2.gz BKGWTTSUERKHNZ-OAQYLSRUSA-N 2 0 367.541 3.466 10 0 FGAERP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000190470236 497492983 /nfs/dbraw/zinc/49/29/83/497492983.db2.gz XHSBEZINGXQBAK-KRWDZBQOSA-N 2 0 358.555 3.471 10 0 FGAERP C[C@H]([NH2+]C1(CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCC1)c1ccccc1 ZINC000262036114 497497134 /nfs/dbraw/zinc/49/71/34/497497134.db2.gz XZKMECNCCXQLPO-UVUJQTEASA-N 2 0 371.569 3.397 10 0 FGAERP CCCC[NH+]1CCC([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130042956 700795356 /nfs/dbraw/zinc/79/53/56/700795356.db2.gz XEQJENQEJXGMPQ-KRWDZBQOSA-N 2 0 353.551 3.488 10 0 FGAERP COc1ccc2ccccc2c1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121086035 494588893 /nfs/dbraw/zinc/58/88/93/494588893.db2.gz BAIHHVRPOIIJPW-KRWDZBQOSA-N 2 0 356.510 3.373 10 0 FGAERP CN(c1ccccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000091979097 494740650 /nfs/dbraw/zinc/74/06/50/494740650.db2.gz CZXJVHHXOYYWBC-VXKWHMMOSA-N 2 0 357.542 3.360 10 0 FGAERP COc1ccccc1C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC000133144973 494976652 /nfs/dbraw/zinc/97/66/52/494976652.db2.gz PRXJWZSYSAJYHF-NQIIRXRSSA-N 2 0 360.542 3.353 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000101587047 495083199 /nfs/dbraw/zinc/08/31/99/495083199.db2.gz ZMOXKKPBRMHGKG-INIZCTEOSA-N 2 0 356.445 3.292 10 0 FGAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1ccco1 ZINC000129054313 495189203 /nfs/dbraw/zinc/18/92/03/495189203.db2.gz ZEVBZNINRYXSLA-OALUTQOASA-N 2 0 372.513 3.265 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccsc1 ZINC000113590868 495318695 /nfs/dbraw/zinc/31/86/95/495318695.db2.gz ITSLNBYPRZLZBT-CGTJXYLNSA-N 2 0 364.559 3.009 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2cccc3ccccc32)CC1 ZINC000106124203 495416804 /nfs/dbraw/zinc/41/68/04/495416804.db2.gz UVOUXCPZDIWTIM-GOSISDBHSA-N 2 0 356.510 3.243 10 0 FGAERP C[N@H+](CCc1ccccn1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128328 495418084 /nfs/dbraw/zinc/41/80/84/495418084.db2.gz LIZXGRFQVBCFKX-JOCHJYFZSA-N 2 0 353.510 3.002 10 0 FGAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](Cc3ccccc3)[NH+](C)C)C2)CC1 ZINC000106434975 495455733 /nfs/dbraw/zinc/45/57/33/495455733.db2.gz IUBJBXLZYBBYHN-FCHUYYIVSA-N 2 0 371.569 3.130 10 0 FGAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000170862967 495632046 /nfs/dbraw/zinc/63/20/46/495632046.db2.gz NIBAHELHXYJVJR-YJBOKZPZSA-N 2 0 366.937 3.068 10 0 FGAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176501358 495674640 /nfs/dbraw/zinc/67/46/40/495674640.db2.gz AAJFUOIQKRIMQR-UYAOXDASSA-N 2 0 362.562 3.052 10 0 FGAERP C[NH+](C)CCN1CCC([NH2+]C2c3ccccc3CCc3ccccc32)CC1 ZINC000180078213 495848280 /nfs/dbraw/zinc/84/82/80/495848280.db2.gz COGRUTVMJDUMHM-UHFFFAOYSA-N 2 0 363.549 3.490 10 0 FGAERP CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(-n3ccnc3)cc1)CC2 ZINC000180642526 496083229 /nfs/dbraw/zinc/08/32/29/496083229.db2.gz NERATBYJMCQFKR-RDJZCZTQSA-N 2 0 350.470 3.253 10 0 FGAERP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000195254372 496862981 /nfs/dbraw/zinc/86/29/81/496862981.db2.gz ZBRXLQLPLARSPD-SFHVURJKSA-N 2 0 350.576 3.081 10 0 FGAERP C[C@H](C(=O)Nc1cccc(Cl)c1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261616546 497420171 /nfs/dbraw/zinc/42/01/71/497420171.db2.gz CMYNFVQYWASWHG-OGWOLHLISA-N 2 0 357.885 3.341 10 0 FGAERP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)cc2)CC1 ZINC000261886637 497468648 /nfs/dbraw/zinc/46/86/48/497468648.db2.gz FZKVQKBWPRLIMS-DNVJHFABSA-N 2 0 371.569 3.165 10 0 FGAERP [NH3+]C[C@@H]1C[N@H+](Cc2ccnn2-c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000262029430 497494866 /nfs/dbraw/zinc/49/48/66/497494866.db2.gz XARUOAHFYJZXQL-UTKZUKDTSA-N 2 0 350.441 3.186 10 0 FGAERP Brc1cccc(N[C@@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000262048875 497498552 /nfs/dbraw/zinc/49/85/52/497498552.db2.gz ZJZJBHIQYKLUHW-WMLDXEAASA-N 2 0 352.320 3.325 10 0 FGAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000262305126 497537691 /nfs/dbraw/zinc/53/76/91/497537691.db2.gz RFXINGDZPXNHBD-KJNZLNQQSA-N 2 0 357.542 3.298 10 0 FGAERP Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c(C)c1 ZINC000246061044 497608363 /nfs/dbraw/zinc/60/83/63/497608363.db2.gz AHFICMSFWYXONW-PMACEKPBSA-N 2 0 369.509 3.181 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246353260 497705325 /nfs/dbraw/zinc/70/53/25/497705325.db2.gz JZDJUKODEUQHMI-CEMLEFRQSA-N 2 0 371.569 3.272 10 0 FGAERP O[C@@]12CCCC[C@H]1C[NH+](CCCC[N@@H+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246940607 497821358 /nfs/dbraw/zinc/82/13/58/497821358.db2.gz NOOJQOFXODYPRF-ZDNVTZCJSA-N 2 0 364.574 3.021 10 0 FGAERP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000311910185 498756161 /nfs/dbraw/zinc/75/61/61/498756161.db2.gz DZZBDFFJJWOPIC-BVOGOJNSSA-N 2 0 350.510 3.298 10 0 FGAERP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000311910189 498756900 /nfs/dbraw/zinc/75/69/00/498756900.db2.gz DZZBDFFJJWOPIC-ZIBCJSCZSA-N 2 0 350.510 3.298 10 0 FGAERP C[C@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000067934190 221305443 /nfs/dbraw/zinc/30/54/43/221305443.db2.gz TUPKKIKHIGXAEZ-HNNXBMFYSA-N 2 0 350.528 3.053 10 0 FGAERP CCC[C@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)[NH+](C)C ZINC000130139093 495346708 /nfs/dbraw/zinc/34/67/08/495346708.db2.gz YVBXFEVUOQHRCU-LJQANCHMSA-N 2 0 374.529 3.170 10 0 FGAERP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000130777993 495444508 /nfs/dbraw/zinc/44/45/08/495444508.db2.gz DWLBGKXUDWSVKK-NRFANRHFSA-N 2 0 368.525 3.240 10 0 FGAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106916349 495512057 /nfs/dbraw/zinc/51/20/57/495512057.db2.gz VBXGFWQSCRZGJE-JOCHJYFZSA-N 2 0 367.537 3.270 10 0 FGAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176226507 495553298 /nfs/dbraw/zinc/55/32/98/495553298.db2.gz SRQCPAUJJPSADM-SFHVURJKSA-N 2 0 352.567 3.059 10 0 FGAERP CC(C)n1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000179518726 495626274 /nfs/dbraw/zinc/62/62/74/495626274.db2.gz OJWIKINHOHJUHK-JOCHJYFZSA-N 2 0 370.541 3.341 10 0 FGAERP Cc1ccc(-c2cc(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)on2)cc1 ZINC000170941746 495660663 /nfs/dbraw/zinc/66/06/63/495660663.db2.gz GIWHCIHCYGHKEC-KRWDZBQOSA-N 2 0 357.498 3.175 10 0 FGAERP COC(=O)c1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1F ZINC000150914703 495679605 /nfs/dbraw/zinc/67/96/05/495679605.db2.gz FHMBPZQJVMIHSJ-MRXNPFEDSA-N 2 0 357.429 3.250 10 0 FGAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000177437714 496061973 /nfs/dbraw/zinc/06/19/73/496061973.db2.gz UTXIQAQBYGYRTO-NRFANRHFSA-N 2 0 372.557 3.024 10 0 FGAERP Cc1c(Br)cccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179210802 496713448 /nfs/dbraw/zinc/71/34/48/496713448.db2.gz BBXUSKIONKWPAQ-AWEZNQCLSA-N 2 0 369.347 3.282 10 0 FGAERP C[NH+](Cc1cccnc1)C[C@H]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000195269398 496869555 /nfs/dbraw/zinc/86/95/55/496869555.db2.gz VIHWKJCPYMEOSS-OAQYLSRUSA-N 2 0 370.516 3.106 10 0 FGAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000237685417 497275640 /nfs/dbraw/zinc/27/56/40/497275640.db2.gz TZXOAXUHGOCJDM-BMQTXXJKSA-N 2 0 357.542 3.298 10 0 FGAERP CC(C)CNC(=O)c1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261797096 497452663 /nfs/dbraw/zinc/45/26/63/497452663.db2.gz QPPMETBFVRWYFB-YADHBBJMSA-N 2 0 365.521 3.247 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)Cc3ccccc3)C2)[nH+]1 ZINC000246066604 497609586 /nfs/dbraw/zinc/60/95/86/497609586.db2.gz AXIHFRUFTOOSDH-QUCCMNQESA-N 2 0 366.509 3.171 10 0 FGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)[C@@H]3C2)cc1 ZINC000312598049 498760098 /nfs/dbraw/zinc/76/00/98/498760098.db2.gz XVAIZOZGMPXYDC-KJJMTIBFSA-N 2 0 370.537 3.215 10 0 FGAERP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000261755411 713713819 /nfs/dbraw/zinc/71/38/19/713713819.db2.gz CLPITHCROSRJKR-MRXNPFEDSA-N 2 0 356.539 3.373 10 0 FGAERP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000700805516 722409886 /nfs/dbraw/zinc/40/98/86/722409886.db2.gz VMESJLVMJNNQJE-BZSNNMDCSA-N 2 0 353.551 3.344 10 0 FGAERP CC[NH2+]CC(=O)Nc1cccc2c1C[N@H+](C)C[C@H]2c1ccc(Cl)cc1 ZINC000028220199 210242432 /nfs/dbraw/zinc/24/24/32/210242432.db2.gz XRIHXUYKZGXHML-KRWDZBQOSA-N 2 0 357.885 3.465 10 0 FGAERP COc1ccc(CC[N@@H+](Cc2ccncc2)CC2CC[NH+](C)CC2)cc1 ZINC000015064615 211116378 /nfs/dbraw/zinc/11/63/78/211116378.db2.gz DMLLOWMRZWWJOQ-UHFFFAOYSA-N 2 0 353.510 3.477 10 0 FGAERP COc1ccc(CN(CC[N@H+](C)CCCCC[NH3+])c2ccccn2)cc1 ZINC000002528472 493811318 /nfs/dbraw/zinc/81/13/18/493811318.db2.gz DIJPLTNMTKLZPZ-UHFFFAOYSA-N 2 0 356.514 3.158 10 0 FGAERP C[N@H+](C[C@H](O)COCc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110044 493824926 /nfs/dbraw/zinc/82/49/26/493824926.db2.gz OMBAJEUUEHXDOP-GOTSBHOMSA-N 2 0 368.521 3.018 10 0 FGAERP CC(C)(C)CCCCCC(=O)OC[C@@H](O)C[NH2+]Cc1cccc(C[NH3+])c1 ZINC000038656300 494115773 /nfs/dbraw/zinc/11/57/73/494115773.db2.gz KCKMOSLSORKFQG-IBGZPJMESA-N 2 0 364.530 3.136 10 0 FGAERP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCCN(c4cccnn4)C3)CC2)C1 ZINC000089733431 494350115 /nfs/dbraw/zinc/35/01/15/494350115.db2.gz BBOJRDDKQFAMNV-MISYRCLQSA-N 2 0 357.546 3.078 10 0 FGAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000132514652 494886236 /nfs/dbraw/zinc/88/62/36/494886236.db2.gz IEURCDDHWUDIME-OAQYLSRUSA-N 2 0 372.557 3.071 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000119183219 495112557 /nfs/dbraw/zinc/11/25/57/495112557.db2.gz JEHVCQKTIFVZTH-OAHLLOKOSA-N 2 0 361.461 3.005 10 0 FGAERP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000173458383 495538760 /nfs/dbraw/zinc/53/87/60/495538760.db2.gz ZPNAOKPIZGJJKY-XYJFISCASA-N 2 0 355.486 3.057 10 0 FGAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000176359040 495618879 /nfs/dbraw/zinc/61/88/79/495618879.db2.gz GDPYLPFAOFPAJO-HKUYNNGSSA-N 2 0 360.546 3.242 10 0 FGAERP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C12CCOCC2 ZINC000186225875 495904537 /nfs/dbraw/zinc/90/45/37/495904537.db2.gz WUFCPOSQSWCNGF-RTWAWAEBSA-N 2 0 358.526 3.346 10 0 FGAERP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)C12CCOCC2 ZINC000186376243 495972956 /nfs/dbraw/zinc/97/29/56/495972956.db2.gz UFRMUOZDMKMGJY-WOJBJXKFSA-N 2 0 352.563 3.308 10 0 FGAERP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000177375942 496037754 /nfs/dbraw/zinc/03/77/54/496037754.db2.gz SRYLUNHNCIRNPJ-FQEVSTJZSA-N 2 0 360.546 3.154 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171900371 496083253 /nfs/dbraw/zinc/08/32/53/496083253.db2.gz SNUVKBBZLGBYCA-WIYYLYMNSA-N 2 0 370.541 3.051 10 0 FGAERP CCC[C@H](C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1)[NH+](C)C ZINC000162229111 496318631 /nfs/dbraw/zinc/31/86/31/496318631.db2.gz UMHSPJIRWDKPQO-HXUWFJFHSA-N 2 0 360.546 3.133 10 0 FGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](c3ccccc3)OCC2(C)C)CC1 ZINC000191475848 496775720 /nfs/dbraw/zinc/77/57/20/496775720.db2.gz WBWTWLPAQKLBPB-OAQYLSRUSA-N 2 0 359.558 3.255 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000245424918 497398193 /nfs/dbraw/zinc/39/81/93/497398193.db2.gz SMJOBKHOFCYUEM-WIYYLYMNSA-N 2 0 372.557 3.338 10 0 FGAERP Cc1ccccc1-c1noc([C@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000245499908 497430404 /nfs/dbraw/zinc/43/04/04/497430404.db2.gz ZCCWEAIYZILPSW-IRXDYDNUSA-N 2 0 372.513 3.131 10 0 FGAERP COC(=O)C(C)(C)CC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261976479 497486736 /nfs/dbraw/zinc/48/67/36/497486736.db2.gz QVRJXIRKKDJXEO-INIZCTEOSA-N 2 0 350.528 3.282 10 0 FGAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000245678847 497497990 /nfs/dbraw/zinc/49/79/90/497497990.db2.gz GFAPRLMTXSKSEE-HLAWJBBLSA-N 2 0 372.557 3.165 10 0 FGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000246927513 497820800 /nfs/dbraw/zinc/82/08/00/497820800.db2.gz GVRHBWUEHXRAQR-VQTJNVASSA-N 2 0 371.525 3.393 10 0 FGAERP Clc1ccc2nc(N3CCC([NH2+]C[C@@H]4CCC[NH2+]4)CC3)sc2c1 ZINC000095525451 700458292 /nfs/dbraw/zinc/45/82/92/700458292.db2.gz RJNPGAAFOPUHKF-AWEZNQCLSA-N 2 0 350.919 3.260 10 0 FGAERP COc1ccc2cc(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)ccc2c1 ZINC000121087762 494588635 /nfs/dbraw/zinc/58/86/35/494588635.db2.gz GPSQSMRNFORQHL-KRWDZBQOSA-N 2 0 356.510 3.373 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000119183089 495112520 /nfs/dbraw/zinc/11/25/20/495112520.db2.gz JEHVCQKTIFVZTH-HNNXBMFYSA-N 2 0 361.461 3.005 10 0 FGAERP CCc1noc([C@@H](C)N(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000106127676 495416833 /nfs/dbraw/zinc/41/68/33/495416833.db2.gz CVKPVEXBTPPZIR-APWZRJJASA-N 2 0 372.513 3.070 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccccc2C(F)(F)F)CC1 ZINC000106124625 495417450 /nfs/dbraw/zinc/41/74/50/495417450.db2.gz ISSSAGGFPLNAEW-OAHLLOKOSA-N 2 0 374.447 3.109 10 0 FGAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](Cc3ccccc3)[NH+](C)C)C2)CC1 ZINC000106434978 495455349 /nfs/dbraw/zinc/45/53/49/495455349.db2.gz IUBJBXLZYBBYHN-FGZHOGPDSA-N 2 0 371.569 3.130 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185510970 495605260 /nfs/dbraw/zinc/60/52/60/495605260.db2.gz IFHICICRPJPCMY-UQPPLGOBSA-N 2 0 350.469 3.380 10 0 FGAERP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C12CCOCC2 ZINC000186371649 495970269 /nfs/dbraw/zinc/97/02/69/495970269.db2.gz PQXQLHPWZAWYBI-UXHICEINSA-N 2 0 350.547 3.347 10 0 FGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cncc(F)c1 ZINC000151935500 495997578 /nfs/dbraw/zinc/99/75/78/495997578.db2.gz DCCABKSPSXQHPW-HRAATJIYSA-N 2 0 357.473 3.317 10 0 FGAERP CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180500521 496022575 /nfs/dbraw/zinc/02/25/75/496022575.db2.gz RLNHWHKURLALHD-SJLPKXTDSA-N 2 0 371.529 3.008 10 0 FGAERP O=C(CN1CC[C@@H](CNc2ccccn2)C1)Nc1nc2ccccc2s1 ZINC000171922949 496093674 /nfs/dbraw/zinc/09/36/74/496093674.db2.gz BLDOQIKKKQHVGG-AWEZNQCLSA-N 2 0 367.478 3.064 10 0 FGAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000246969113 496738262 /nfs/dbraw/zinc/73/82/62/496738262.db2.gz FZMAZEFMJODKDK-LVCYWYKZSA-N 2 0 372.557 3.240 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000248918145 497135626 /nfs/dbraw/zinc/13/56/26/497135626.db2.gz DOKGXRZOAGOYNS-SESVDKBCSA-N 2 0 360.542 3.461 10 0 FGAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C12CCOCC2 ZINC000249053354 497155776 /nfs/dbraw/zinc/15/57/76/497155776.db2.gz XCBPWPIVNLGUPO-YPAWHYETSA-N 2 0 372.553 3.115 10 0 FGAERP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000252480537 497302058 /nfs/dbraw/zinc/30/20/58/497302058.db2.gz BDIYKDAMLXSIHD-RTBURBONSA-N 2 0 354.922 3.024 10 0 FGAERP [NH3+][C@@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000237889059 497308611 /nfs/dbraw/zinc/30/86/11/497308611.db2.gz NRRXITYCPXHXRA-SFTDATJTSA-N 2 0 351.494 3.247 10 0 FGAERP Cc1nnc([C@H]2CC3(C[N@H+]2CC(C)C)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257190644 497387662 /nfs/dbraw/zinc/38/76/62/497387662.db2.gz NENXNGOSRSKRBD-LJQANCHMSA-N 2 0 369.513 3.458 10 0 FGAERP CC(C)N(C)c1ccc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000261656522 497428599 /nfs/dbraw/zinc/42/85/99/497428599.db2.gz BKGWTTSUERKHNZ-NRFANRHFSA-N 2 0 367.541 3.466 10 0 FGAERP [NH3+]C[C@@H]1C[N@H+](Cc2c(C3CC3)nc3sccn23)C[C@H]1c1ccccc1 ZINC000261798047 497453229 /nfs/dbraw/zinc/45/32/29/497453229.db2.gz LOCJQZJUDIBOAC-SJORKVTESA-N 2 0 352.507 3.448 10 0 FGAERP CCC[C@H](C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1)[NH+](C)C ZINC000190795253 497606258 /nfs/dbraw/zinc/60/62/58/497606258.db2.gz FUIJUGQASGSMGP-HXUWFJFHSA-N 2 0 360.546 3.194 10 0 FGAERP 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 497645111 /nfs/dbraw/zinc/64/51/11/497645111.db2.gz RSFWIVBUKLZJAK-DKKFBQAASA-N 2 0 358.530 3.017 10 0 FGAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000246198620 497657121 /nfs/dbraw/zinc/65/71/21/497657121.db2.gz MVPOWVPUEJVGHN-RTWAWAEBSA-N 2 0 370.541 3.051 10 0 FGAERP c1cc2nccc(N3C[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)c2s1 ZINC000301659583 498209974 /nfs/dbraw/zinc/20/99/74/498209974.db2.gz TVDIFHAUZSLORZ-RTBURBONSA-N 2 0 351.475 3.386 10 0 FGAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000167846360 705348265 /nfs/dbraw/zinc/34/82/65/705348265.db2.gz DFUAEFZYCVYATF-RDTXWAMCSA-N 2 0 351.922 3.042 10 0 FGAERP COc1ccccc1-c1ncc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cn1 ZINC000065395937 221211314 /nfs/dbraw/zinc/21/13/14/221211314.db2.gz ONBDQNLKIHAZEG-UHFFFAOYSA-N 2 0 352.482 3.070 10 0 FGAERP Cc1cc(Br)ccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121151575 494618627 /nfs/dbraw/zinc/61/86/27/494618627.db2.gz NIJPOMMFJMUWMX-HNNXBMFYSA-N 2 0 369.347 3.282 10 0 FGAERP O[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000121191797 494638550 /nfs/dbraw/zinc/63/85/50/494638550.db2.gz XXOWMXVAEHFHIO-YLJYHZDGSA-N 2 0 355.388 3.458 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCSCc2ccccc2)CC1 ZINC000131833536 494746506 /nfs/dbraw/zinc/74/65/06/494746506.db2.gz AKJDCKQREYONFQ-SFHVURJKSA-N 2 0 350.572 3.335 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000179515315 495623818 /nfs/dbraw/zinc/62/38/18/495623818.db2.gz CZDPGFKBGPGMSN-KRWDZBQOSA-N 2 0 371.500 3.412 10 0 FGAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182766892 495695317 /nfs/dbraw/zinc/69/53/17/495695317.db2.gz BKMYWVHBNZEEBS-NLWGTHIKSA-N 2 0 364.578 3.059 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)N3CCc4ccccc43)C2)[nH+]1 ZINC000171652433 495971924 /nfs/dbraw/zinc/97/19/24/495971924.db2.gz TZZDBOXCZAPZPT-ZWKOTPCHSA-N 2 0 364.493 3.102 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000171652444 495972286 /nfs/dbraw/zinc/97/22/86/495972286.db2.gz MVCABWWGVQPSHZ-FHWLQOOXSA-N 2 0 366.509 3.390 10 0 FGAERP Cc1ncsc1CC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000172535642 496331407 /nfs/dbraw/zinc/33/14/07/496331407.db2.gz ULQMJHSTZGUCQN-FQEVSTJZSA-N 2 0 373.566 3.371 10 0 FGAERP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)s1 ZINC000184686468 496492700 /nfs/dbraw/zinc/49/27/00/496492700.db2.gz NWLFRISTHYUFFM-UKRRQHHQSA-N 2 0 365.930 3.471 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccsc1 ZINC000247112308 496783259 /nfs/dbraw/zinc/78/32/59/496783259.db2.gz ITSLNBYPRZLZBT-BPQIPLTHSA-N 2 0 364.559 3.009 10 0 FGAERP CCc1csc([C@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000192729141 497198114 /nfs/dbraw/zinc/19/81/14/497198114.db2.gz PHGPZSAHNMCUMF-SFHVURJKSA-N 2 0 364.603 3.301 10 0 FGAERP O[C@@H](COCc1ccc(Cl)cc1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193080821 497297023 /nfs/dbraw/zinc/29/70/23/497297023.db2.gz NMDKYYZFPPDYIS-HXUWFJFHSA-N 2 0 366.933 3.025 10 0 FGAERP [NH3+][C@H]1CC[C@@H](C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000237867200 497304921 /nfs/dbraw/zinc/30/49/21/497304921.db2.gz LHVOHEXNNRGOPF-YADHBBJMSA-N 2 0 365.521 3.323 10 0 FGAERP [NH3+]C[C@@H]1CN(Cc2ccn(-c3ccc(F)cc3)n2)C[C@H]1c1ccccc1 ZINC000261780793 497449170 /nfs/dbraw/zinc/44/91/70/497449170.db2.gz PKDGHJYTWIPIGG-UTKZUKDTSA-N 2 0 350.441 3.186 10 0 FGAERP CC1CC[NH+]([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000261958347 497482150 /nfs/dbraw/zinc/48/21/50/497482150.db2.gz PFEUTYMKFZSLFK-BXXSPATCSA-N 2 0 371.569 3.206 10 0 FGAERP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc(C[NH+]2CCCCCC2)c1 ZINC000262041204 497497987 /nfs/dbraw/zinc/49/79/87/497497987.db2.gz YPLHFVXRFVGHCG-ZLNRFVROSA-N 2 0 371.569 3.309 10 0 FGAERP 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 497644488 /nfs/dbraw/zinc/64/44/88/497644488.db2.gz RSFWIVBUKLZJAK-RWQQGDIJSA-N 2 0 358.530 3.017 10 0 FGAERP C[C@@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000067934191 221305297 /nfs/dbraw/zinc/30/52/97/221305297.db2.gz TUPKKIKHIGXAEZ-OAHLLOKOSA-N 2 0 350.528 3.053 10 0 FGAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000045185987 494404810 /nfs/dbraw/zinc/40/48/10/494404810.db2.gz WHCYSPDSDJIFPW-ICSRJNTNSA-N 2 0 360.546 3.101 10 0 FGAERP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)C1 ZINC000067408132 494533828 /nfs/dbraw/zinc/53/38/28/494533828.db2.gz WJUWSKYKOIUROV-OAQYLSRUSA-N 2 0 372.557 3.024 10 0 FGAERP C[N@@H+](Cc1cccc(O)c1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000121178813 494632579 /nfs/dbraw/zinc/63/25/79/494632579.db2.gz NBHXMLNHLKIOPB-JOCHJYFZSA-N 2 0 354.494 3.270 10 0 FGAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116529062 494808331 /nfs/dbraw/zinc/80/83/31/494808331.db2.gz SQDVFBGQYSTAAK-ZWKOTPCHSA-N 2 0 360.546 3.242 10 0 FGAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113595816 495319383 /nfs/dbraw/zinc/31/93/83/495319383.db2.gz KGNKJUUWCDZSGL-FQEVSTJZSA-N 2 0 374.573 3.269 10 0 FGAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104989355 495322826 /nfs/dbraw/zinc/32/28/26/495322826.db2.gz UXWLEWZXLLMYAF-GOSISDBHSA-N 2 0 374.529 3.109 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000107304135 495525022 /nfs/dbraw/zinc/52/50/22/495525022.db2.gz CZQVWWUSBSLAEI-OAHLLOKOSA-N 2 0 374.447 3.109 10 0 FGAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000173568143 495591167 /nfs/dbraw/zinc/59/11/67/495591167.db2.gz PFICSAAQNBGDGR-LEWJYISDSA-N 2 0 370.541 3.051 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCC3CCCCC3)C2)[nH+]1 ZINC000171652439 495971819 /nfs/dbraw/zinc/97/18/19/495971819.db2.gz ILMXPEPTPZYVRA-PKOBYXMFSA-N 2 0 358.530 3.209 10 0 FGAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177246772 495992341 /nfs/dbraw/zinc/99/23/41/495992341.db2.gz JYCPWSOZOFKDHU-NRFANRHFSA-N 2 0 357.542 3.073 10 0 FGAERP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000163815143 496560045 /nfs/dbraw/zinc/56/00/45/496560045.db2.gz CJCXXXPRTXCALA-AZUAARDMSA-N 2 0 351.494 3.002 10 0 FGAERP [NH3+][C@H]1CCC[C@@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000238014147 497327079 /nfs/dbraw/zinc/32/70/79/497327079.db2.gz ISXWKEQNHYGYAC-YADHBBJMSA-N 2 0 371.569 3.355 10 0 FGAERP COc1cc2c(c(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)c1)O[C@H](C)C2 ZINC000261704748 497436865 /nfs/dbraw/zinc/43/68/65/497436865.db2.gz JNBYBEOKUUCWLC-VMRPVKRXSA-N 2 0 352.478 3.193 10 0 FGAERP COc1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000261940040 497480422 /nfs/dbraw/zinc/48/04/22/497480422.db2.gz DOSVHKJHDIHEBF-IERDGZPVSA-N 2 0 362.477 3.327 10 0 FGAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000245981884 497589912 /nfs/dbraw/zinc/58/99/12/497589912.db2.gz BEHSICDCNUZUIH-ROUUACIJSA-N 2 0 374.529 3.026 10 0 FGAERP CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246109374 497625483 /nfs/dbraw/zinc/62/54/83/497625483.db2.gz JRPSEUQGBDEMHO-IEBWSBKVSA-N 2 0 374.529 3.108 10 0 FGAERP CC(C)N1C[C@H](C)[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246390934 497718121 /nfs/dbraw/zinc/71/81/21/497718121.db2.gz KXAVECJIUMZABC-FRQCXROJSA-N 2 0 365.949 3.395 10 0 FGAERP C[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnc(C4CC4)s3)C2)ccn1 ZINC000886046193 739211547 /nfs/dbraw/zinc/21/15/47/739211547.db2.gz WACWMHIZTMKKOR-KRWDZBQOSA-N 2 0 358.511 3.130 10 0 FGAERP Cc1ccccc1[C@@H](CNc1nc(-c2cccnc2)nc2c1C[NH2+]C2)[NH+](C)C ZINC000072133659 494131271 /nfs/dbraw/zinc/13/12/71/494131271.db2.gz UKHYPMSXVQHKSE-HXUWFJFHSA-N 2 0 374.492 3.165 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000121131797 494611080 /nfs/dbraw/zinc/61/10/80/494611080.db2.gz HFRKRIPHYDSKDK-CYBMUJFWSA-N 2 0 362.411 3.369 10 0 FGAERP COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813241 494757169 /nfs/dbraw/zinc/75/71/69/494757169.db2.gz LGVLWMSBZYUNOT-INIZCTEOSA-N 2 0 371.481 3.350 10 0 FGAERP O[C@@H](COCc1ccccc1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122129289 494928136 /nfs/dbraw/zinc/92/81/36/494928136.db2.gz ONDYOXYZDSFNEJ-JOCHJYFZSA-N 2 0 360.542 3.152 10 0 FGAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106427592 495454927 /nfs/dbraw/zinc/45/49/27/495454927.db2.gz XSMQWLRXVQCNBR-JOCHJYFZSA-N 2 0 367.537 3.318 10 0 FGAERP Cc1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000106461525 495457751 /nfs/dbraw/zinc/45/77/51/495457751.db2.gz WLRKWFSWOPOFMQ-WOJBJXKFSA-N 2 0 369.509 3.014 10 0 FGAERP C[N@@H+](Cc1ccc(CO)cc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000182752751 495689395 /nfs/dbraw/zinc/68/93/95/495689395.db2.gz KFIJFCAILLLLOY-HSZRJFAPSA-N 2 0 368.521 3.056 10 0 FGAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000173781512 495689948 /nfs/dbraw/zinc/68/99/48/495689948.db2.gz MVPOWVPUEJVGHN-LEWJYISDSA-N 2 0 370.541 3.051 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C12CCOCC2 ZINC000186316220 495944136 /nfs/dbraw/zinc/94/41/36/495944136.db2.gz XCBPWPIVNLGUPO-FDFHNCONSA-N 2 0 372.553 3.115 10 0 FGAERP CC(C)n1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000172014303 496130339 /nfs/dbraw/zinc/13/03/39/496130339.db2.gz IFZPMNHMEBWLCI-JOCHJYFZSA-N 2 0 370.541 3.341 10 0 FGAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000176153010 496705581 /nfs/dbraw/zinc/70/55/81/496705581.db2.gz TYKDTKVHDYRGQX-IRXDYDNUSA-N 2 0 364.559 3.011 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247596761 496894702 /nfs/dbraw/zinc/89/47/02/496894702.db2.gz SNUVKBBZLGBYCA-NQIIRXRSSA-N 2 0 370.541 3.051 10 0 FGAERP [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccc(Cl)cc3Br)C[C@H]12 ZINC000261717238 497437917 /nfs/dbraw/zinc/43/79/17/497437917.db2.gz JXHBESZYXOHJTM-VHRBIJSZSA-N 2 0 359.695 3.150 10 0 FGAERP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262384950 497548020 /nfs/dbraw/zinc/54/80/20/497548020.db2.gz NKIAVBKPKRBDDE-DOTOQJQBSA-N 2 0 371.447 3.113 10 0 FGAERP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246186585 497652695 /nfs/dbraw/zinc/65/26/95/497652695.db2.gz VPTVFOUXMJYDMZ-IRXDYDNUSA-N 2 0 352.482 3.405 10 0 FGAERP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC000123388235 700704099 /nfs/dbraw/zinc/70/40/99/700704099.db2.gz LRVRXRBWKOWBLH-MIGBEJBISA-N 2 0 351.535 3.237 10 0 FGAERP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000304929881 713792179 /nfs/dbraw/zinc/79/21/79/713792179.db2.gz LHTWRJJRAJIFRD-BBWFWOEESA-N 2 0 351.535 3.096 10 0 FGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]([NH3+])CC[C@H]2C(F)(F)F)cc1 ZINC000886043439 739211584 /nfs/dbraw/zinc/21/15/84/739211584.db2.gz IIVCRAYIEDUZES-HOTGVXAUSA-N 2 0 357.420 3.023 10 0 FGAERP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(OC(F)F)cc1C ZINC000121148802 494617014 /nfs/dbraw/zinc/61/70/14/494617014.db2.gz CKASSWDGJPYUNZ-MRXNPFEDSA-N 2 0 370.484 3.429 10 0 FGAERP O[C@H](COCc1ccccc1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122129509 494928212 /nfs/dbraw/zinc/92/82/12/494928212.db2.gz ONDYOXYZDSFNEJ-QFIPXVFZSA-N 2 0 360.542 3.152 10 0 FGAERP C[NH+](C)C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111808091 495113875 /nfs/dbraw/zinc/11/38/75/495113875.db2.gz GCRFPDQGAZPJOM-FQEVSTJZSA-N 2 0 360.546 3.245 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)c1ccco1 ZINC000129054535 495189100 /nfs/dbraw/zinc/18/91/00/495189100.db2.gz ZEVBZNINRYXSLA-RBUKOAKNSA-N 2 0 372.513 3.265 10 0 FGAERP CCC(CC)(CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000113626566 495322947 /nfs/dbraw/zinc/32/29/47/495322947.db2.gz MXBSEGIMCMDRDT-IEBWSBKVSA-N 2 0 360.546 3.242 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCOc2cccc(Cl)c2)CC1 ZINC000106124580 495417286 /nfs/dbraw/zinc/41/72/86/495417286.db2.gz GCGLJKDJQQXKSC-MRXNPFEDSA-N 2 0 354.922 3.134 10 0 FGAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000177389786 496042680 /nfs/dbraw/zinc/04/26/80/496042680.db2.gz YFXDOECSAVDEJQ-FQEVSTJZSA-N 2 0 360.546 3.153 10 0 FGAERP CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(-n3ccnc3)cc1)CC2 ZINC000180642559 496082997 /nfs/dbraw/zinc/08/29/97/496082997.db2.gz NERATBYJMCQFKR-WBVHZDCISA-N 2 0 350.470 3.253 10 0 FGAERP CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000180643554 496083974 /nfs/dbraw/zinc/08/39/74/496083974.db2.gz DZVSQEZWSYTUOF-AEFFLSMTSA-N 2 0 371.529 3.008 10 0 FGAERP C[N@H+](CCc1cccnc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000172162518 496191270 /nfs/dbraw/zinc/19/12/70/496191270.db2.gz VYJDIDVYOAPMTF-JOCHJYFZSA-N 2 0 353.510 3.002 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000175641851 496478895 /nfs/dbraw/zinc/47/88/95/496478895.db2.gz JHEADHOOEFPXQP-HMXCVIKNSA-N 2 0 372.557 3.165 10 0 FGAERP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)s1 ZINC000184686410 496492511 /nfs/dbraw/zinc/49/25/11/496492511.db2.gz NWLFRISTHYUFFM-ZFWWWQNUSA-N 2 0 365.930 3.471 10 0 FGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3ccccc3)OCC2(C)C)CC1 ZINC000191475862 496776094 /nfs/dbraw/zinc/77/60/94/496776094.db2.gz WBWTWLPAQKLBPB-NRFANRHFSA-N 2 0 359.558 3.255 10 0 FGAERP CCOc1c(OC)cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC ZINC000261765382 497446685 /nfs/dbraw/zinc/44/66/85/497446685.db2.gz ROVREKIKVXXOTK-MOPGFXCFSA-N 2 0 370.493 3.277 10 0 FGAERP CC[C@@H](C(=O)Nc1ccc(OC)cc1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261778369 497449461 /nfs/dbraw/zinc/44/94/61/497449461.db2.gz PGBQGNQZZOKKDT-QMMLZNLJSA-N 2 0 367.493 3.087 10 0 FGAERP CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262280796 497534156 /nfs/dbraw/zinc/53/41/56/497534156.db2.gz KWENAYCOLNATEX-URLQWDBASA-N 2 0 365.468 3.078 10 0 FGAERP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262384953 497548129 /nfs/dbraw/zinc/54/81/29/497548129.db2.gz NKIAVBKPKRBDDE-RDJZCZTQSA-N 2 0 371.447 3.113 10 0 FGAERP CC(C)N1C[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246280914 497682165 /nfs/dbraw/zinc/68/21/65/497682165.db2.gz BNNSCEQSUIVRQE-FCEWJHQRSA-N 2 0 365.949 3.395 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H](O)COCc2ccccc2)C1 ZINC000246722183 497804291 /nfs/dbraw/zinc/80/42/91/497804291.db2.gz NIFHWLRAKNFCPP-BAGYTPMASA-N 2 0 360.542 3.151 10 0 FGAERP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000379659836 499542733 /nfs/dbraw/zinc/54/27/33/499542733.db2.gz BFOLJIDETOGCBU-RBBKRZOGSA-N 2 0 363.505 3.044 10 0 FGAERP C[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000130012000 700794821 /nfs/dbraw/zinc/79/48/21/700794821.db2.gz MYZNFXRXSXVVRV-MSOLQXFVSA-N 2 0 353.551 3.345 10 0 FGAERP C[C@H](C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000130012420 700794890 /nfs/dbraw/zinc/79/48/90/700794890.db2.gz MYZNFXRXSXVVRV-QZTJIDSGSA-N 2 0 353.551 3.345 10 0 FGAERP CC[NH+]1CCC(CC[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000174551535 705508212 /nfs/dbraw/zinc/50/82/12/705508212.db2.gz RDLKXMGVGWZHJT-GOSISDBHSA-N 2 0 353.551 3.345 10 0 FGAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078954002 494383459 /nfs/dbraw/zinc/38/34/59/494383459.db2.gz MDPFYLAUYIFSCE-FQEVSTJZSA-N 2 0 360.546 3.058 10 0 FGAERP C[NH+](C)C[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000056937515 494598134 /nfs/dbraw/zinc/59/81/34/494598134.db2.gz XVZBCNJMKIVIID-WOJBJXKFSA-N 2 0 372.488 3.031 10 0 FGAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccsc1 ZINC000105124003 495338957 /nfs/dbraw/zinc/33/89/57/495338957.db2.gz DRTUZHLQESYMTC-MSOLQXFVSA-N 2 0 364.559 3.011 10 0 FGAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176501375 495675342 /nfs/dbraw/zinc/67/53/42/495675342.db2.gz AAJFUOIQKRIMQR-AZUAARDMSA-N 2 0 362.562 3.052 10 0 FGAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000174236846 495875928 /nfs/dbraw/zinc/87/59/28/495875928.db2.gz GTAKJBQWPREXRZ-RTWAWAEBSA-N 2 0 372.557 3.024 10 0 FGAERP CCN(C(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C1CCCCC1 ZINC000171651536 495970858 /nfs/dbraw/zinc/97/08/58/495970858.db2.gz ASMRFAWUKIZKKV-SFHVURJKSA-N 2 0 358.530 3.305 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000177710547 496168112 /nfs/dbraw/zinc/16/81/12/496168112.db2.gz VMSMOIAALXWADC-ZDUSSCGKSA-N 2 0 373.310 3.113 10 0 FGAERP CCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1OCC ZINC000178609841 496515602 /nfs/dbraw/zinc/51/56/02/496515602.db2.gz PGQLAROPXQIYRW-QGZVFWFLSA-N 2 0 364.530 3.009 10 0 FGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccc(O)c1 ZINC000194886039 496747640 /nfs/dbraw/zinc/74/76/40/496747640.db2.gz YFCQWVTYVINURG-HTAPYJJXSA-N 2 0 354.494 3.488 10 0 FGAERP Cc1cnn([C@@H]2CCCN(CCC[N@@H+]3CCC[C@@H](n4cc(C)cn4)C3)C2)c1 ZINC000247079345 496773561 /nfs/dbraw/zinc/77/35/61/496773561.db2.gz SVUYDYWDSRCVOA-NHCUHLMSSA-N 2 0 370.545 3.061 10 0 FGAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247503445 496875245 /nfs/dbraw/zinc/87/52/45/496875245.db2.gz XTVICZXYCHVIMW-YLJYHZDGSA-N 2 0 360.546 3.008 10 0 FGAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248390619 496991522 /nfs/dbraw/zinc/99/15/22/496991522.db2.gz BKMYWVHBNZEEBS-CMKODMSKSA-N 2 0 364.578 3.059 10 0 FGAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248663618 497075877 /nfs/dbraw/zinc/07/58/77/497075877.db2.gz ZWISGALTMWNFSH-BDTNDASRSA-N 2 0 360.542 3.151 10 0 FGAERP C[N@H+](CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000237133537 497195966 /nfs/dbraw/zinc/19/59/66/497195966.db2.gz YDGHMCSPKRRSHM-FGZHOGPDSA-N 2 0 365.521 3.275 10 0 FGAERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)cc2)C1 ZINC000262046044 497498823 /nfs/dbraw/zinc/49/88/23/497498823.db2.gz ZBIFZEOTLJMQRS-HWHRFOGPSA-N 2 0 371.569 3.165 10 0 FGAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000246198626 497657728 /nfs/dbraw/zinc/65/77/28/497657728.db2.gz MVPOWVPUEJVGHN-SFTDATJTSA-N 2 0 370.541 3.051 10 0 FGAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000246273721 497679362 /nfs/dbraw/zinc/67/93/62/497679362.db2.gz JCIAKLVHXXZHMZ-HLAWJBBLSA-N 2 0 372.557 3.023 10 0 FGAERP C[C@@H](CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000184335087 712670995 /nfs/dbraw/zinc/67/09/95/712670995.db2.gz BZBSKTFOVOMQDG-ROUUACIJSA-N 2 0 353.551 3.488 10 0 FGAERP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000380957289 713977510 /nfs/dbraw/zinc/97/75/10/713977510.db2.gz AHPZQHLBLQJOHO-IRXDYDNUSA-N 2 0 353.551 3.344 10 0 FGAERP C[NH+](C)C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000056937514 494598200 /nfs/dbraw/zinc/59/82/00/494598200.db2.gz XVZBCNJMKIVIID-VQTJNVASSA-N 2 0 372.488 3.031 10 0 FGAERP CCC[NH+]1CCC([N@H+](C)C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000111240446 495052220 /nfs/dbraw/zinc/05/22/20/495052220.db2.gz ASSTZOVQOVOLGF-IBGZPJMESA-N 2 0 354.922 3.024 10 0 FGAERP COc1ccccc1C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C(C)C ZINC000124524035 495301551 /nfs/dbraw/zinc/30/15/51/495301551.db2.gz VZJAYEAIVNSXIN-OAQYLSRUSA-N 2 0 361.574 3.126 10 0 FGAERP CC(C)c1nc(CN(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)no1 ZINC000106127028 495417060 /nfs/dbraw/zinc/41/70/60/495417060.db2.gz PPEMMVGBOIHFGG-IBGZPJMESA-N 2 0 372.513 3.070 10 0 FGAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106916351 495511952 /nfs/dbraw/zinc/51/19/52/495511952.db2.gz VBXGFWQSCRZGJE-QFIPXVFZSA-N 2 0 367.537 3.270 10 0 FGAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000173752181 495677568 /nfs/dbraw/zinc/67/75/68/495677568.db2.gz LHOYNNJSARRQEV-NHCUHLMSSA-N 2 0 372.557 3.295 10 0 FGAERP CC[NH+]1CCN([C@H](C)C[NH2+]C2c3ccccc3CCc3ccccc32)CC1 ZINC000180120042 495865957 /nfs/dbraw/zinc/86/59/57/495865957.db2.gz DAUBVRHUTNAVFP-LJQANCHMSA-N 2 0 363.549 3.490 10 0 FGAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000171608378 495947285 /nfs/dbraw/zinc/94/72/85/495947285.db2.gz ARFRLRWYHXGCAY-QFIPXVFZSA-N 2 0 365.521 3.072 10 0 FGAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175864544 496578732 /nfs/dbraw/zinc/57/87/32/496578732.db2.gz CSYAKPHSTHPWPH-FQEVSTJZSA-N 2 0 374.573 3.269 10 0 FGAERP CCC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000158461051 496707000 /nfs/dbraw/zinc/70/70/00/496707000.db2.gz AZVNXLOOOKFYEX-SJORKVTESA-N 2 0 371.447 3.126 10 0 FGAERP CCO[C@H]1C[C@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000191577187 496819056 /nfs/dbraw/zinc/81/90/56/496819056.db2.gz CIFAMLAGEFXWEA-PMACEKPBSA-N 2 0 351.579 3.072 10 0 FGAERP CCO[C@@H]1C[C@@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000191577200 496819284 /nfs/dbraw/zinc/81/92/84/496819284.db2.gz CIFAMLAGEFXWEA-WOJBJXKFSA-N 2 0 351.579 3.072 10 0 FGAERP CCN1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000250672949 497269200 /nfs/dbraw/zinc/26/92/00/497269200.db2.gz YWHIDYSZQDUKMT-CJNGLKHVSA-N 2 0 368.319 3.240 10 0 FGAERP C[C@H](C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000261954066 497482286 /nfs/dbraw/zinc/48/22/86/497482286.db2.gz OJYNMXKCWGRUHF-APWZRJJASA-N 2 0 356.489 3.307 10 0 FGAERP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261968912 497485178 /nfs/dbraw/zinc/48/51/78/497485178.db2.gz QJNMIOVTLVICBB-YTFSRNRJSA-N 2 0 371.569 3.309 10 0 FGAERP CCC[C@@H](C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1)[NH+](C)C ZINC000190795238 497605987 /nfs/dbraw/zinc/60/59/87/497605987.db2.gz FUIJUGQASGSMGP-FQEVSTJZSA-N 2 0 360.546 3.194 10 0 FGAERP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246186588 497653278 /nfs/dbraw/zinc/65/32/78/497653278.db2.gz VPTVFOUXMJYDMZ-SJORKVTESA-N 2 0 352.482 3.405 10 0 FGAERP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000090773299 700407270 /nfs/dbraw/zinc/40/72/70/700407270.db2.gz XRASGHVDSOOARP-LSDHHAIUSA-N 2 0 352.910 3.162 10 0 FGAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156329603 705111563 /nfs/dbraw/zinc/11/15/63/705111563.db2.gz ZZNFCSGDSAZJIU-RCCFBDPRSA-N 2 0 353.551 3.344 10 0 FGAERP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000182012591 705822295 /nfs/dbraw/zinc/82/22/95/705822295.db2.gz VXNADBSVYPCJAX-KXBFYZLASA-N 2 0 359.901 3.410 10 0 FGAERP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000380957287 713977665 /nfs/dbraw/zinc/97/76/65/713977665.db2.gz AHPZQHLBLQJOHO-IAGOWNOFSA-N 2 0 353.551 3.344 10 0 FGAERP Cc1ccc([C@@H](C)CC[NH+]2CCC(CCC(=O)NCC[NH+](C)C)CC2)o1 ZINC000012583312 220008951 /nfs/dbraw/zinc/00/89/51/220008951.db2.gz CKMUSAKFRKVRPJ-KRWDZBQOSA-N 2 0 363.546 3.252 10 0 FGAERP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)COCc3ccccc3)C2)CC1 ZINC000084962296 494108656 /nfs/dbraw/zinc/10/86/56/494108656.db2.gz BEFJWMGUVIKZDB-YADHBBJMSA-N 2 0 360.542 3.008 10 0 FGAERP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)COCc3ccccc3)C2)CC1 ZINC000084962293 494108881 /nfs/dbraw/zinc/10/88/81/494108881.db2.gz BEFJWMGUVIKZDB-VXKWHMMOSA-N 2 0 360.542 3.008 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000121114894 494601968 /nfs/dbraw/zinc/60/19/68/494601968.db2.gz YAIXJRINXJYNOO-ZDUSSCGKSA-N 2 0 362.411 3.369 10 0 FGAERP COc1cc(OC)c(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(OC)c1 ZINC000092813293 494759069 /nfs/dbraw/zinc/75/90/69/494759069.db2.gz LXQPBCMKQVEYLR-INIZCTEOSA-N 2 0 371.481 3.350 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000106124919 495417163 /nfs/dbraw/zinc/41/71/63/495417163.db2.gz OBBIGGWPMPYXHS-CQSZACIVSA-N 2 0 360.420 3.110 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C12CCOCC2 ZINC000186225822 495904220 /nfs/dbraw/zinc/90/42/20/495904220.db2.gz WUFCPOSQSWCNGF-LEWJYISDSA-N 2 0 358.526 3.346 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccccc3C)C2)[nH+]1 ZINC000171652238 495972613 /nfs/dbraw/zinc/97/26/13/495972613.db2.gz PBJCOXPGUWIYSI-LJQANCHMSA-N 2 0 366.509 3.091 10 0 FGAERP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171871246 496070743 /nfs/dbraw/zinc/07/07/43/496070743.db2.gz HRQQDPCMNJVYDK-NRFANRHFSA-N 2 0 370.541 3.052 10 0 FGAERP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180644131 496084687 /nfs/dbraw/zinc/08/46/87/496084687.db2.gz PAVJGOKADNWLHB-SJLPKXTDSA-N 2 0 371.529 3.008 10 0 FGAERP C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000249513065 497215351 /nfs/dbraw/zinc/21/53/51/497215351.db2.gz WHCYSPDSDJIFPW-AZUAARDMSA-N 2 0 360.546 3.101 10 0 FGAERP Cc1ccc(C)c(NC(=O)[C@H](C)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261804512 497453859 /nfs/dbraw/zinc/45/38/59/497453859.db2.gz RCGFXEJSPQNIFB-SXLOBPIMSA-N 2 0 351.494 3.305 10 0 FGAERP c1csc(CN(Cc2cccc3c2OCO3)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261802542 497454336 /nfs/dbraw/zinc/45/43/36/497454336.db2.gz VZGXUGAJINMUAC-INIZCTEOSA-N 2 0 357.479 3.016 10 0 FGAERP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000261952261 497482276 /nfs/dbraw/zinc/48/22/76/497482276.db2.gz OMWNGSACXDMGPN-ZLNRFVROSA-N 2 0 371.569 3.165 10 0 FGAERP C[C@H](C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000261954072 497482351 /nfs/dbraw/zinc/48/23/51/497482351.db2.gz OJYNMXKCWGRUHF-VQIMIIECSA-N 2 0 356.489 3.307 10 0 FGAERP C[C@H]([NH2+]C1(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCC1)c1ccccc1 ZINC000262036115 497496217 /nfs/dbraw/zinc/49/62/17/497496217.db2.gz XZKMECNCCXQLPO-VXSCBNMQSA-N 2 0 371.569 3.397 10 0 FGAERP Cc1cccc(C)c1OCCN(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262066475 497503177 /nfs/dbraw/zinc/50/31/77/497503177.db2.gz BBTCJULLSDEDEZ-LJQANCHMSA-N 2 0 368.525 3.060 10 0 FGAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccsc1 ZINC000246357479 497707209 /nfs/dbraw/zinc/70/72/09/497707209.db2.gz DRTUZHLQESYMTC-ROUUACIJSA-N 2 0 364.559 3.011 10 0 FGAERP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000700805873 722409879 /nfs/dbraw/zinc/40/98/79/722409879.db2.gz VMESJLVMJNNQJE-RCCFBDPRSA-N 2 0 353.551 3.344 10 0 FGAERP CC1CC[NH+](CCCCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000045185858 494404683 /nfs/dbraw/zinc/40/46/83/494404683.db2.gz YIHSXUMJJJMONV-FQEVSTJZSA-N 2 0 360.546 3.101 10 0 FGAERP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc(C)c1OC(F)F ZINC000121098443 494595293 /nfs/dbraw/zinc/59/52/93/494595293.db2.gz URGGTTZAWLFAMG-MRXNPFEDSA-N 2 0 370.484 3.429 10 0 FGAERP CN(c1ccccc1C[N@@H+]1CCC[C@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000131904611 494768633 /nfs/dbraw/zinc/76/86/33/494768633.db2.gz RECLQHRBKAXHNG-QFIPXVFZSA-N 2 0 367.541 3.288 10 0 FGAERP CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(C[NH+](C)C)cs1)C2 ZINC000092096679 494787881 /nfs/dbraw/zinc/78/78/81/494787881.db2.gz TTYKWMYTDLRXAJ-ZWKOTPCHSA-N 2 0 361.555 3.199 10 0 FGAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000106917310 495511487 /nfs/dbraw/zinc/51/14/87/495511487.db2.gz JTTDAPDLOKZYIK-FGZHOGPDSA-N 2 0 371.569 3.274 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185510986 495604657 /nfs/dbraw/zinc/60/46/57/495604657.db2.gz IFHICICRPJPCMY-HPUBIQBYSA-N 2 0 350.469 3.380 10 0 FGAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182766918 495695133 /nfs/dbraw/zinc/69/51/33/495695133.db2.gz BKMYWVHBNZEEBS-QWFCFKBJSA-N 2 0 364.578 3.059 10 0 FGAERP CCC[C@@H](C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[NH+](C)C ZINC000186130976 495867422 /nfs/dbraw/zinc/86/74/22/495867422.db2.gz VGMYRWZBFIXLHK-JKSUJKDBSA-N 2 0 359.436 3.155 10 0 FGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cncc(F)c1 ZINC000151935334 495997229 /nfs/dbraw/zinc/99/72/29/495997229.db2.gz DCCABKSPSXQHPW-KKSFZXQISA-N 2 0 357.473 3.317 10 0 FGAERP C[C@H](O)C[NH+]1CCC(CN(C)Cc2c(F)cccc2Br)CC1 ZINC000180477842 496012318 /nfs/dbraw/zinc/01/23/18/496012318.db2.gz PUTNENJAUGLKKU-ZDUSSCGKSA-N 2 0 373.310 3.113 10 0 FGAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000247536733 496883273 /nfs/dbraw/zinc/88/32/73/496883273.db2.gz QDSBSUKVRMZEAG-RXVVDRJESA-N 2 0 370.541 3.092 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000245417662 497396357 /nfs/dbraw/zinc/39/63/57/497396357.db2.gz KFMIECBZRQKNDG-QZTJIDSGSA-N 2 0 366.575 3.257 10 0 FGAERP [NH3+]C[C@@H]1CN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C[C@H]1c1ccccc1 ZINC000261645351 497426099 /nfs/dbraw/zinc/42/60/99/497426099.db2.gz FXRDQUSYEDIJHS-PBHICJAKSA-N 2 0 368.868 3.163 10 0 FGAERP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000261793730 497451900 /nfs/dbraw/zinc/45/19/00/497451900.db2.gz LDVBXZSDMUHWDI-XLIONFOSSA-N 2 0 350.441 3.390 10 0 FGAERP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2N(C)C)C1 ZINC000190470257 497493248 /nfs/dbraw/zinc/49/32/48/497493248.db2.gz XHSBEZINGXQBAK-QGZVFWFLSA-N 2 0 358.555 3.471 10 0 FGAERP CCOc1ccccc1NC(=O)[C@H](C)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246176625 497647979 /nfs/dbraw/zinc/64/79/79/497647979.db2.gz UDDBLSIEXPYEOD-IRXDYDNUSA-N 2 0 368.481 3.241 10 0 FGAERP CCc1nccn1[C@@H]1CCCN([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000246222201 497666762 /nfs/dbraw/zinc/66/67/62/497666762.db2.gz LNFNNAFOVQMHFT-PBHICJAKSA-N 2 0 374.435 3.166 10 0 FGAERP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000105784852 700504925 /nfs/dbraw/zinc/50/49/25/700504925.db2.gz GPWYCCFVKRCHSN-KZNAEPCWSA-N 2 0 353.551 3.344 10 0 FGAERP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000249115491 713663961 /nfs/dbraw/zinc/66/39/61/713663961.db2.gz YLHWWRTUXNAJCK-FGTMMUONSA-N 2 0 353.551 3.486 10 0 FGAERP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000067569992 494570405 /nfs/dbraw/zinc/57/04/05/494570405.db2.gz FGGIQJQDCAQXBV-NRFANRHFSA-N 2 0 372.557 3.213 10 0 FGAERP COc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1OC(C)C ZINC000121087455 494588755 /nfs/dbraw/zinc/58/87/55/494588755.db2.gz DOFZXTQLUCCUBB-QGZVFWFLSA-N 2 0 364.530 3.007 10 0 FGAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111816718 495115416 /nfs/dbraw/zinc/11/54/16/495115416.db2.gz JHHURQJFFCBOHY-XSLAUPDRSA-N 2 0 372.557 3.212 10 0 FGAERP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000111843965 495119419 /nfs/dbraw/zinc/11/94/19/495119419.db2.gz CRJJLQKOLZXDDV-NRFANRHFSA-N 2 0 372.557 3.213 10 0 FGAERP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105094124 495336062 /nfs/dbraw/zinc/33/60/62/495336062.db2.gz QNKXJVZFGGHJOE-OAQYLSRUSA-N 2 0 370.541 3.052 10 0 FGAERP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000173458415 495538846 /nfs/dbraw/zinc/53/88/46/495538846.db2.gz ZPNAOKPIZGJJKY-BQFCYCMXSA-N 2 0 355.486 3.057 10 0 FGAERP CCC[C@@H](C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)c1ccccc1 ZINC000180090178 495854760 /nfs/dbraw/zinc/85/47/60/495854760.db2.gz LKRJUCXZDPVJNY-GOTSBHOMSA-N 2 0 373.585 3.297 10 0 FGAERP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000177092975 495922791 /nfs/dbraw/zinc/92/27/91/495922791.db2.gz HIGFYOZAFMANSW-OAHLLOKOSA-N 2 0 357.454 3.266 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)Cc3ccccc3C)C2)[nH+]1 ZINC000171652244 495972234 /nfs/dbraw/zinc/97/22/34/495972234.db2.gz PBJCOXPGUWIYSI-IBGZPJMESA-N 2 0 366.509 3.091 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000177437701 496061283 /nfs/dbraw/zinc/06/12/83/496061283.db2.gz UTXIQAQBYGYRTO-OAQYLSRUSA-N 2 0 372.557 3.024 10 0 FGAERP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(-n3ccnc3)cc1)CC2 ZINC000180642540 496083268 /nfs/dbraw/zinc/08/32/68/496083268.db2.gz NERATBYJMCQFKR-NVXWUHKLSA-N 2 0 350.470 3.253 10 0 FGAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171900372 496083611 /nfs/dbraw/zinc/08/36/11/496083611.db2.gz SNUVKBBZLGBYCA-GHTZIAJQSA-N 2 0 370.541 3.051 10 0 FGAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000157824047 496564030 /nfs/dbraw/zinc/56/40/30/496564030.db2.gz ZTGZRMSTDZBQIA-XLIONFOSSA-N 2 0 360.546 3.055 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccsc1 ZINC000247112320 496783079 /nfs/dbraw/zinc/78/30/79/496783079.db2.gz ITSLNBYPRZLZBT-KBAYOESNSA-N 2 0 364.559 3.009 10 0 FGAERP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000247202905 496804016 /nfs/dbraw/zinc/80/40/16/496804016.db2.gz XHSRQDUSLRXVEZ-FVJLSDCUSA-N 2 0 368.525 3.484 10 0 FGAERP C[N@H+](C[C@@H](O)c1ccccc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000247804660 496916547 /nfs/dbraw/zinc/91/65/47/496916547.db2.gz SGDYDZMFJGKGGM-PKTZIBPZSA-N 2 0 368.521 3.097 10 0 FGAERP C[C@@H](C(=O)N(C)C1CCCCC1)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248651369 497072934 /nfs/dbraw/zinc/07/29/34/497072934.db2.gz MXCUYZXKMDJBFH-ICSRJNTNSA-N 2 0 372.557 3.015 10 0 FGAERP O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000238039493 497331616 /nfs/dbraw/zinc/33/16/16/497331616.db2.gz YMZBAYMTYHEKAH-JOCHJYFZSA-N 2 0 363.505 3.318 10 0 FGAERP COc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261615091 497420316 /nfs/dbraw/zinc/42/03/16/497420316.db2.gz CNZYKEWOICWVJM-NQIIRXRSSA-N 2 0 362.477 3.260 10 0 FGAERP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCCN3)cc2)CC1 ZINC000261886639 497469309 /nfs/dbraw/zinc/46/93/09/497469309.db2.gz FZKVQKBWPRLIMS-ZLNRFVROSA-N 2 0 371.569 3.165 10 0 FGAERP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261960108 497484050 /nfs/dbraw/zinc/48/40/50/497484050.db2.gz PLSWIEAHJUYWCZ-ZRBLBEILSA-N 2 0 371.569 3.309 10 0 FGAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccc(Cl)cc1 ZINC000246077337 497612985 /nfs/dbraw/zinc/61/29/85/497612985.db2.gz CUSCFOYDIUKCAV-CVEARBPZSA-N 2 0 372.900 3.346 10 0 FGAERP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC[NH+]3CCCCC3)C[C@H]12 ZINC000119488316 700630606 /nfs/dbraw/zinc/63/06/06/700630606.db2.gz NLLUYCOMMIWIPV-FGTMMUONSA-N 2 0 351.535 3.098 10 0 FGAERP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC[NH+]3CCCCC3)C[C@@H]21 ZINC000119488038 700630696 /nfs/dbraw/zinc/63/06/96/700630696.db2.gz NLLUYCOMMIWIPV-OKZBNKHCSA-N 2 0 351.535 3.098 10 0 FGAERP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188672275 712774647 /nfs/dbraw/zinc/77/46/47/712774647.db2.gz YLHWWRTUXNAJCK-BZSNNMDCSA-N 2 0 353.551 3.486 10 0 FGAERP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000261731329 713713101 /nfs/dbraw/zinc/71/31/01/713713101.db2.gz KYFSAGORSGCSIA-SJLPKXTDSA-N 2 0 363.933 3.043 10 0 FGAERP C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110073 493824731 /nfs/dbraw/zinc/82/47/31/493824731.db2.gz OMBAJEUUEHXDOP-DHIUTWEWSA-N 2 0 368.521 3.018 10 0 FGAERP C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110072 493824847 /nfs/dbraw/zinc/82/48/47/493824847.db2.gz OMBAJEUUEHXDOP-XZOQPEGZSA-N 2 0 368.521 3.018 10 0 FGAERP C[N@H+](CCc1ccncc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128243 495418570 /nfs/dbraw/zinc/41/85/70/495418570.db2.gz BMTOOKVCZAHMPY-QFIPXVFZSA-N 2 0 353.510 3.002 10 0 FGAERP CC[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1CCOC ZINC000120951099 495490679 /nfs/dbraw/zinc/49/06/79/495490679.db2.gz ZXEZLYKAUIRNMN-NRFANRHFSA-N 2 0 361.574 3.187 10 0 FGAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000106917309 495511613 /nfs/dbraw/zinc/51/16/13/495511613.db2.gz JTTDAPDLOKZYIK-YADHBBJMSA-N 2 0 371.569 3.274 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C12CCOCC2 ZINC000186276454 495924907 /nfs/dbraw/zinc/92/49/07/495924907.db2.gz IDNLLZAHDAETJD-FCHUYYIVSA-N 2 0 372.553 3.462 10 0 FGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000186591565 496061833 /nfs/dbraw/zinc/06/18/33/496061833.db2.gz FLECUZMOYMJTAL-BRWVUGGUSA-N 2 0 360.571 3.404 10 0 FGAERP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905303 496085906 /nfs/dbraw/zinc/08/59/06/496085906.db2.gz CQFYIIFPHDICGN-OAQYLSRUSA-N 2 0 370.541 3.052 10 0 FGAERP Cc1cncc([C@@H](C)[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000184348465 496344759 /nfs/dbraw/zinc/34/47/59/496344759.db2.gz UTXQFEPUZKTJIT-GCJKJVERSA-N 2 0 353.510 3.486 10 0 FGAERP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)C12CCOCC2 ZINC000248910021 497132824 /nfs/dbraw/zinc/13/28/24/497132824.db2.gz BWZVGHUTWSCXPJ-PWRODBHTSA-N 2 0 358.526 3.215 10 0 FGAERP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000248918143 497135252 /nfs/dbraw/zinc/13/52/52/497135252.db2.gz DOKGXRZOAGOYNS-CEWLAPEOSA-N 2 0 360.542 3.461 10 0 FGAERP COc1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261940044 497479823 /nfs/dbraw/zinc/47/98/23/497479823.db2.gz DOSVHKJHDIHEBF-IIBYNOLFSA-N 2 0 362.477 3.327 10 0 FGAERP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261968916 497485224 /nfs/dbraw/zinc/48/52/24/497485224.db2.gz QJNMIOVTLVICBB-ZLNRFVROSA-N 2 0 371.569 3.309 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c3ccccc3)C2)[nH+]1 ZINC000246133068 497632113 /nfs/dbraw/zinc/63/21/13/497632113.db2.gz MVCABWWGVQPSHZ-QRVBRYPASA-N 2 0 366.509 3.390 10 0 FGAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000246273737 497679863 /nfs/dbraw/zinc/67/98/63/497679863.db2.gz JCIAKLVHXXZHMZ-NRSPTQNISA-N 2 0 372.557 3.023 10 0 FGAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246750842 497808043 /nfs/dbraw/zinc/80/80/43/497808043.db2.gz BJKDJRAXSCWHQQ-XLIONFOSSA-N 2 0 360.546 3.056 10 0 FGAERP CC[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cc(Br)ccc1O ZINC000155277719 705070409 /nfs/dbraw/zinc/07/04/09/705070409.db2.gz XVDAVFGAEWEYIS-HOCLYGCPSA-N 2 0 371.319 3.042 10 0 FGAERP [NH3+][C@@H]1c2ccccc2C2(CC[NH+](Cc3ccnc4ccccc34)CC2)[C@H]1O ZINC000072144450 494133722 /nfs/dbraw/zinc/13/37/22/494133722.db2.gz KVCCAMRQLXZXJY-YADHBBJMSA-N 2 0 359.473 3.143 10 0 FGAERP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(Br)c1 ZINC000121132115 494611036 /nfs/dbraw/zinc/61/10/36/494611036.db2.gz RNCWRMSZELJRDZ-HNNXBMFYSA-N 2 0 369.347 3.282 10 0 FGAERP Cc1cccc(Cl)c1NC(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000132300783 494853088 /nfs/dbraw/zinc/85/30/88/494853088.db2.gz BDZDTGFFDPTESK-HNNXBMFYSA-N 2 0 358.873 3.416 10 0 FGAERP COc1ccccc1C[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C(C)C ZINC000132558590 494892456 /nfs/dbraw/zinc/89/24/56/494892456.db2.gz OWEYTSBSCFYSAD-NHCUHLMSSA-N 2 0 361.574 3.124 10 0 FGAERP Cc1ncc(CN2CCN(Cc3cnc(C)n3-c3ccccc3)CC2)s1 ZINC000120442624 495379621 /nfs/dbraw/zinc/37/96/21/495379621.db2.gz ATCWLEKTCKZOMC-UHFFFAOYSA-N 2 0 367.522 3.263 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)c3cccnc23)CC1 ZINC000106124833 495416718 /nfs/dbraw/zinc/41/67/18/495416718.db2.gz MQDXEANWXPKYAG-OAHLLOKOSA-N 2 0 361.917 3.413 10 0 FGAERP Cc1noc(C)c1C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128033 495418875 /nfs/dbraw/zinc/41/88/75/495418875.db2.gz LUIGJOBFNUVTSO-NRFANRHFSA-N 2 0 357.498 3.169 10 0 FGAERP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C12CCOCC2 ZINC000186215907 495899460 /nfs/dbraw/zinc/89/94/60/495899460.db2.gz LUQYFLNIHAVEFE-SFTDATJTSA-N 2 0 358.526 3.346 10 0 FGAERP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000177364471 496032332 /nfs/dbraw/zinc/03/23/32/496032332.db2.gz KFMIECBZRQKNDG-ROUUACIJSA-N 2 0 366.575 3.257 10 0 FGAERP COc1ccc(C[C@@H](C)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000185247128 496717246 /nfs/dbraw/zinc/71/72/46/496717246.db2.gz NCCQCLQPXXZSDZ-IAGOWNOFSA-N 2 0 366.521 3.038 10 0 FGAERP COc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Br ZINC000038019204 220847184 /nfs/dbraw/zinc/84/71/84/220847184.db2.gz FARLPMOFVKCJGM-GOOCMWNKSA-N 2 0 353.304 3.420 10 0 FGAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000078986133 494388738 /nfs/dbraw/zinc/38/87/38/494388738.db2.gz ZXMZHQYEBAYHBO-HXUWFJFHSA-N 2 0 360.546 3.058 10 0 FGAERP COc1cc(OC)c(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(OC)c1 ZINC000092813294 494758327 /nfs/dbraw/zinc/75/83/27/494758327.db2.gz LXQPBCMKQVEYLR-MRXNPFEDSA-N 2 0 371.481 3.350 10 0 FGAERP CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000135210865 495262635 /nfs/dbraw/zinc/26/26/35/495262635.db2.gz YDHHDPQJBKOOJK-BMGDILEWSA-N 2 0 369.912 3.318 10 0 FGAERP CC(C)n1ccnc1CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127114 495416869 /nfs/dbraw/zinc/41/68/69/495416869.db2.gz IMYAXOSXGCNMGP-NRFANRHFSA-N 2 0 370.541 3.341 10 0 FGAERP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000106455146 495456980 /nfs/dbraw/zinc/45/69/80/495456980.db2.gz LEWXHKHSPJCJBV-QFIPXVFZSA-N 2 0 367.537 3.318 10 0 FGAERP C[NH+](C)[C@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000170863778 495631592 /nfs/dbraw/zinc/63/15/92/495631592.db2.gz QILBZUISHVKWTA-NRFANRHFSA-N 2 0 351.494 3.095 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)cc(Br)c2)CC1 ZINC000177710419 496168516 /nfs/dbraw/zinc/16/85/16/496168516.db2.gz CJMYZXZGNZZPKH-ZDUSSCGKSA-N 2 0 373.310 3.113 10 0 FGAERP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C1 ZINC000261928222 497477510 /nfs/dbraw/zinc/47/75/10/497477510.db2.gz LKIZEVFTPHSIIV-RLLPEYFOSA-N 2 0 371.569 3.165 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261983022 497487717 /nfs/dbraw/zinc/48/77/17/497487717.db2.gz RWPAWVZLZOKREN-MSYGRNIXSA-N 2 0 371.569 3.308 10 0 FGAERP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262384954 497548217 /nfs/dbraw/zinc/54/82/17/497548217.db2.gz NKIAVBKPKRBDDE-WBVHZDCISA-N 2 0 371.447 3.113 10 0 FGAERP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000246194426 497655211 /nfs/dbraw/zinc/65/52/11/497655211.db2.gz WTMBMMQBSNGPME-ICSRJNTNSA-N 2 0 366.509 3.137 10 0 FGAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000246412333 497725548 /nfs/dbraw/zinc/72/55/48/497725548.db2.gz SCAJDOYMKFNLKT-SFTDATJTSA-N 2 0 370.541 3.051 10 0 FGAERP COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@@H]3Cn3ccnc3C)n2)cc1 ZINC000246739613 497806553 /nfs/dbraw/zinc/80/65/53/497806553.db2.gz PCCZECKNMGXOQS-RHSMWYFYSA-N 2 0 367.453 3.476 10 0 FGAERP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000379659835 499542894 /nfs/dbraw/zinc/54/28/94/499542894.db2.gz BFOLJIDETOGCBU-IRLDBZIGSA-N 2 0 363.505 3.044 10 0 FGAERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000048745040 257344062 /nfs/dbraw/zinc/34/40/62/257344062.db2.gz OLMVYWBMRCQDCW-GOSISDBHSA-N 2 0 361.493 3.366 10 0 FGAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000081020833 493815046 /nfs/dbraw/zinc/81/50/46/493815046.db2.gz GPAZEEIKWDHRKW-NRFANRHFSA-N 2 0 357.542 3.278 10 0 FGAERP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1Br ZINC000121119887 494604082 /nfs/dbraw/zinc/60/40/82/494604082.db2.gz ZQTKAUGFYBWUMA-OAHLLOKOSA-N 2 0 369.347 3.282 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000121154745 494621264 /nfs/dbraw/zinc/62/12/64/494621264.db2.gz NNQHPSNKTPEXEM-ZDUSSCGKSA-N 2 0 362.411 3.369 10 0 FGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128578468 495118248 /nfs/dbraw/zinc/11/82/48/495118248.db2.gz HGZATUBPZUKRIR-HXUWFJFHSA-N 2 0 355.530 3.148 10 0 FGAERP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000130778212 495444339 /nfs/dbraw/zinc/44/43/39/495444339.db2.gz DWLBGKXUDWSVKK-OAQYLSRUSA-N 2 0 368.525 3.240 10 0 FGAERP Cc1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000106461530 495458333 /nfs/dbraw/zinc/45/83/33/495458333.db2.gz WLRKWFSWOPOFMQ-VQTJNVASSA-N 2 0 369.509 3.014 10 0 FGAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)C1 ZINC000173456150 495537780 /nfs/dbraw/zinc/53/77/80/495537780.db2.gz TYNDPBIRRCITTC-ROUUACIJSA-N 2 0 369.513 3.307 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Cl)cc3cccnc32)CC1 ZINC000170941871 495660981 /nfs/dbraw/zinc/66/09/81/495660981.db2.gz SSVYDUPOAQAZJB-OAHLLOKOSA-N 2 0 361.917 3.413 10 0 FGAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000173781499 495689887 /nfs/dbraw/zinc/68/98/87/495689887.db2.gz MVPOWVPUEJVGHN-NHCUHLMSSA-N 2 0 370.541 3.051 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)C2)[nH+]1 ZINC000151117419 495743477 /nfs/dbraw/zinc/74/34/77/495743477.db2.gz HCRLTNMBHIMQJL-RDGPPVDQSA-N 2 0 358.530 3.302 10 0 FGAERP CC[NH+]1CCN([C@@H](C)C[NH2+]C2c3ccccc3CCc3ccccc32)CC1 ZINC000180120020 495866138 /nfs/dbraw/zinc/86/61/38/495866138.db2.gz DAUBVRHUTNAVFP-IBGZPJMESA-N 2 0 363.549 3.490 10 0 FGAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177387495 496041677 /nfs/dbraw/zinc/04/16/77/496041677.db2.gz YASQIVHDJLJIPS-HXUWFJFHSA-N 2 0 369.513 3.098 10 0 FGAERP Cc1c(-c2cc(C[N@@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)on2)cnn1C ZINC000184567103 496443795 /nfs/dbraw/zinc/44/37/95/496443795.db2.gz BSFIARFKLSDHMG-MRXNPFEDSA-N 2 0 366.469 3.021 10 0 FGAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000157523424 496495224 /nfs/dbraw/zinc/49/52/24/496495224.db2.gz CSFSWJGLULPJNC-PXNSSMCTSA-N 2 0 360.546 3.056 10 0 FGAERP Cc1c(Br)cccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179210788 496713490 /nfs/dbraw/zinc/71/34/90/496713490.db2.gz BBXUSKIONKWPAQ-CQSZACIVSA-N 2 0 369.347 3.282 10 0 FGAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248663621 497076100 /nfs/dbraw/zinc/07/61/00/497076100.db2.gz ZWISGALTMWNFSH-BHDDXSALSA-N 2 0 360.542 3.151 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@H+](CCOCC(F)(F)C(F)(F)F)C2)[nH+]1 ZINC000189367628 497097296 /nfs/dbraw/zinc/09/72/96/497097296.db2.gz JYLIGBPFEONRFW-CYBMUJFWSA-N 2 0 367.362 3.338 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C12CCOCC2 ZINC000249054498 497155688 /nfs/dbraw/zinc/15/56/88/497155688.db2.gz XJWOIIRLVHRXER-LCLWPZTBSA-N 2 0 350.547 3.203 10 0 FGAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000237687178 497276240 /nfs/dbraw/zinc/27/62/40/497276240.db2.gz RFXINGDZPXNHBD-HRQSHJORSA-N 2 0 357.542 3.298 10 0 FGAERP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000252480536 497302100 /nfs/dbraw/zinc/30/21/00/497302100.db2.gz BDIYKDAMLXSIHD-RBUKOAKNSA-N 2 0 354.922 3.024 10 0 FGAERP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000261627806 497422358 /nfs/dbraw/zinc/42/23/58/497422358.db2.gz DQBKJBWZZYHGEB-APWZRJJASA-N 2 0 357.885 3.343 10 0 FGAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000245476857 497424247 /nfs/dbraw/zinc/42/42/47/497424247.db2.gz TYKDTKVHDYRGQX-DLBZAZTESA-N 2 0 364.559 3.011 10 0 FGAERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)cc2)C1 ZINC000262046047 497498989 /nfs/dbraw/zinc/49/89/89/497498989.db2.gz ZBIFZEOTLJMQRS-RLLPEYFOSA-N 2 0 371.569 3.165 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000246133061 497632660 /nfs/dbraw/zinc/63/26/60/497632660.db2.gz MVCABWWGVQPSHZ-OTWHNJEPSA-N 2 0 366.509 3.390 10 0 FGAERP 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 497644473 /nfs/dbraw/zinc/64/44/73/497644473.db2.gz RSFWIVBUKLZJAK-JFRXWTBNSA-N 2 0 358.530 3.017 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246353282 497704852 /nfs/dbraw/zinc/70/48/52/497704852.db2.gz JZDJUKODEUQHMI-FCEUIQTBSA-N 2 0 371.569 3.272 10 0 FGAERP COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H]3Cn3ccnc3C)n2)cc1 ZINC000246739599 497806382 /nfs/dbraw/zinc/80/63/82/497806382.db2.gz PCCZECKNMGXOQS-PBHICJAKSA-N 2 0 367.453 3.476 10 0 FGAERP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000090773300 700407353 /nfs/dbraw/zinc/40/73/53/700407353.db2.gz XRASGHVDSOOARP-HUUCEWRRSA-N 2 0 352.910 3.162 10 0 FGAERP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156440899 705116623 /nfs/dbraw/zinc/11/66/23/705116623.db2.gz OKFVAUFDJWLNSX-WMZOPIPTSA-N 2 0 353.551 3.344 10 0 FGAERP CC[NH+]1CCC(CC[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000174551519 705508134 /nfs/dbraw/zinc/50/81/34/705508134.db2.gz RDLKXMGVGWZHJT-SFHVURJKSA-N 2 0 353.551 3.345 10 0 FGAERP c1c2ccc(C3=[NH+]CCN3)cc2[nH]c1-c1cc2ccc(C3=[NH+]CCN3)cc2[nH]1 ZINC000006535078 203920838 /nfs/dbraw/zinc/92/08/38/203920838.db2.gz DOTIHCJDACUXSS-UHFFFAOYSA-N 2 0 368.444 3.016 10 0 FGAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132208780 494839327 /nfs/dbraw/zinc/83/93/27/494839327.db2.gz XTVICZXYCHVIMW-PXNSSMCTSA-N 2 0 360.546 3.008 10 0 FGAERP CCC[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000135210908 495262681 /nfs/dbraw/zinc/26/26/81/495262681.db2.gz YDHHDPQJBKOOJK-ZTFGCOKTSA-N 2 0 369.912 3.318 10 0 FGAERP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000113513778 495307953 /nfs/dbraw/zinc/30/79/53/495307953.db2.gz VRGQJYFJWGBXKZ-UGKGYDQZSA-N 2 0 368.521 3.037 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000106124351 495416920 /nfs/dbraw/zinc/41/69/20/495416920.db2.gz VEPUWFVGAZECOA-OAHLLOKOSA-N 2 0 374.447 3.152 10 0 FGAERP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000170862974 495632312 /nfs/dbraw/zinc/63/23/12/495632312.db2.gz NIBAHELHXYJVJR-QAPCUYQASA-N 2 0 366.937 3.068 10 0 FGAERP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C12CCOCC2 ZINC000186276487 495924835 /nfs/dbraw/zinc/92/48/35/495924835.db2.gz IDNLLZAHDAETJD-FGZHOGPDSA-N 2 0 372.553 3.462 10 0 FGAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000177114333 495930887 /nfs/dbraw/zinc/93/08/87/495930887.db2.gz FTFWQCFJAUBSCS-ROUUACIJSA-N 2 0 374.529 3.108 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc(F)cc4c3OCOC4)C2)[nH+]1 ZINC000171650857 495970436 /nfs/dbraw/zinc/97/04/36/495970436.db2.gz ONGBHRPJVJXEBK-OAHLLOKOSA-N 2 0 357.429 3.330 10 0 FGAERP CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000180511981 496027077 /nfs/dbraw/zinc/02/70/77/496027077.db2.gz HVIDPDGDAMJWDT-AEFFLSMTSA-N 2 0 371.529 3.008 10 0 FGAERP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000163815024 496560819 /nfs/dbraw/zinc/56/08/19/496560819.db2.gz CJCXXXPRTXCALA-UYAOXDASSA-N 2 0 351.494 3.002 10 0 FGAERP Cn1cc([C@H]2CCC[N@@H+]2CCCCC[NH+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000157886478 496577354 /nfs/dbraw/zinc/57/73/54/496577354.db2.gz DNDISMONCAOLDF-OYRHEFFESA-N 2 0 370.545 3.298 10 0 FGAERP CCN(C(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261638173 497424901 /nfs/dbraw/zinc/42/49/01/497424901.db2.gz FJNYLWVFMFJZPH-DSKINZAPSA-N 2 0 351.494 3.102 10 0 FGAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000262028111 497495135 /nfs/dbraw/zinc/49/51/35/497495135.db2.gz WWCQHMCGQXQCRH-VBNZEHGJSA-N 2 0 350.388 3.265 10 0 FGAERP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246071128 497611058 /nfs/dbraw/zinc/61/10/58/497611058.db2.gz BVUNCVKKXRAHME-WMZOPIPTSA-N 2 0 370.472 3.002 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)N3CCc4ccccc43)C2)[nH+]1 ZINC000246174760 497647584 /nfs/dbraw/zinc/64/75/84/497647584.db2.gz TZZDBOXCZAPZPT-MSOLQXFVSA-N 2 0 364.493 3.102 10 0 FGAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000263277977 497748075 /nfs/dbraw/zinc/74/80/75/497748075.db2.gz RAJWMIZNKBARCT-OTYNDTSQSA-N 2 0 355.526 3.078 10 0 FGAERP CCN1CC[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000389537939 499552780 /nfs/dbraw/zinc/55/27/80/499552780.db2.gz JQOGHZFYJMUZCO-LLVKDONJSA-N 2 0 362.109 3.395 10 0 FGAERP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188653632 712774562 /nfs/dbraw/zinc/77/45/62/712774562.db2.gz MCRIBBQTJBSECV-BZSNNMDCSA-N 2 0 353.551 3.486 10 0 FGAERP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188669599 712774640 /nfs/dbraw/zinc/77/46/40/712774640.db2.gz HOAXZOOSIQBXAG-MSOLQXFVSA-N 2 0 353.551 3.486 10 0 FGAERP COc1ccccc1C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC000133144406 494976828 /nfs/dbraw/zinc/97/68/28/494976828.db2.gz PRXJWZSYSAJYHF-GHTZIAJQSA-N 2 0 360.542 3.353 10 0 FGAERP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000118545943 495008191 /nfs/dbraw/zinc/00/81/91/495008191.db2.gz NQKBSNAHPAMPMN-GOSISDBHSA-N 2 0 362.518 3.013 10 0 FGAERP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000111240448 495053038 /nfs/dbraw/zinc/05/30/38/495053038.db2.gz ASSTZOVQOVOLGF-LJQANCHMSA-N 2 0 354.922 3.024 10 0 FGAERP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000123325551 495115085 /nfs/dbraw/zinc/11/50/85/495115085.db2.gz ICVKSHHUBCOGEX-FQEVSTJZSA-N 2 0 368.949 3.271 10 0 FGAERP CCC[C@H](C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1)[NH+](C)C ZINC000137053442 495420901 /nfs/dbraw/zinc/42/09/01/495420901.db2.gz IWVKDBAIKGELRF-RTBURBONSA-N 2 0 361.530 3.069 10 0 FGAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176226523 495553368 /nfs/dbraw/zinc/55/33/68/495553368.db2.gz SRQCPAUJJPSADM-GOSISDBHSA-N 2 0 352.567 3.059 10 0 FGAERP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000173950510 495759934 /nfs/dbraw/zinc/75/99/34/495759934.db2.gz BDIYKDAMLXSIHD-OALUTQOASA-N 2 0 354.922 3.024 10 0 FGAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C12CCOCC2 ZINC000186225855 495904044 /nfs/dbraw/zinc/90/40/44/495904044.db2.gz WUFCPOSQSWCNGF-NHCUHLMSSA-N 2 0 358.526 3.346 10 0 FGAERP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247065304 496768744 /nfs/dbraw/zinc/76/87/44/496768744.db2.gz OHIVSDJZZGZGJW-WMZOPIPTSA-N 2 0 372.538 3.253 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C3CCCCC3)C2)[nH+]1 ZINC000247361205 496844474 /nfs/dbraw/zinc/84/44/74/496844474.db2.gz MJYWKWJWWDRWBG-QZTJIDSGSA-N 2 0 358.530 3.303 10 0 FGAERP CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000247575226 496892497 /nfs/dbraw/zinc/89/24/97/496892497.db2.gz HSKTVBJPWHBAHN-WOJBJXKFSA-N 2 0 371.525 3.448 10 0 FGAERP C[NH+](Cc1cccnc1)C[C@@H]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000248659521 497075250 /nfs/dbraw/zinc/07/52/50/497075250.db2.gz VIHWKJCPYMEOSS-NRFANRHFSA-N 2 0 370.516 3.106 10 0 FGAERP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(-c3ccccn3)s2)C[C@H]1c1ccccc1 ZINC000261747115 497444154 /nfs/dbraw/zinc/44/41/54/497444154.db2.gz PVVTVOYUCXPIPS-AEFFLSMTSA-N 2 0 350.491 3.379 10 0 FGAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000261857615 497463064 /nfs/dbraw/zinc/46/30/64/497463064.db2.gz MWTMCCLLLPYHJY-LWUIHUKISA-N 2 0 355.526 3.063 10 0 FGAERP COC(=O)C(C)(C)CC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261976482 497486025 /nfs/dbraw/zinc/48/60/25/497486025.db2.gz QVRJXIRKKDJXEO-MRXNPFEDSA-N 2 0 350.528 3.282 10 0 FGAERP CC(C)N1C[C@H](C)[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246280939 497682539 /nfs/dbraw/zinc/68/25/39/497682539.db2.gz BNNSCEQSUIVRQE-FRQCXROJSA-N 2 0 365.949 3.395 10 0 FGAERP O[C@]12CCCC[C@@H]1C[NH+](CCCC[N@@H+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246940544 497821274 /nfs/dbraw/zinc/82/12/74/497821274.db2.gz NOOJQOFXODYPRF-CZYKHXBRSA-N 2 0 364.574 3.021 10 0 FGAERP C[C@@H](CC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000184335128 712671003 /nfs/dbraw/zinc/67/10/03/712671003.db2.gz BZBSKTFOVOMQDG-ZWKOTPCHSA-N 2 0 353.551 3.488 10 0 FGAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000715559173 722415877 /nfs/dbraw/zinc/41/58/77/722415877.db2.gz SJZDQUKQSVWZGL-BSDSXHPESA-N 2 0 353.551 3.484 10 0 FGAERP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000118545634 495008216 /nfs/dbraw/zinc/00/82/16/495008216.db2.gz IKOLBUPMDRXNAX-IBGZPJMESA-N 2 0 374.529 3.109 10 0 FGAERP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106459178 495458050 /nfs/dbraw/zinc/45/80/50/495458050.db2.gz WDHTUQQQTQPIBE-JOCHJYFZSA-N 2 0 367.537 3.318 10 0 FGAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000171663350 495978237 /nfs/dbraw/zinc/97/82/37/495978237.db2.gz YLZFAICSXXSOEU-QFIPXVFZSA-N 2 0 365.521 3.072 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000177389327 496042941 /nfs/dbraw/zinc/04/29/41/496042941.db2.gz MBYAWMAKJRYSIW-OAQYLSRUSA-N 2 0 372.557 3.085 10 0 FGAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000157388210 496467775 /nfs/dbraw/zinc/46/77/75/496467775.db2.gz XLJGPETXTMXHQF-HLAWJBBLSA-N 2 0 372.557 3.165 10 0 FGAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000247115771 496784551 /nfs/dbraw/zinc/78/45/51/496784551.db2.gz IVADIGPFURFWBP-RXVVDRJESA-N 2 0 370.541 3.051 10 0 FGAERP C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393807 496992740 /nfs/dbraw/zinc/99/27/40/496992740.db2.gz FCRYZILHEAJMTG-FBBABVLZSA-N 2 0 372.557 3.242 10 0 FGAERP CCN(C(=O)[C@@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261638177 497425292 /nfs/dbraw/zinc/42/52/92/497425292.db2.gz FJNYLWVFMFJZPH-QFUCXCTJSA-N 2 0 351.494 3.102 10 0 FGAERP [NH3+]C[C@@H]1C[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1c1ccccc1 ZINC000261642434 497425875 /nfs/dbraw/zinc/42/58/75/497425875.db2.gz AKJAPXVYEABXGW-IRLDBZIGSA-N 2 0 364.468 3.245 10 0 FGAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000246172374 497647513 /nfs/dbraw/zinc/64/75/13/497647513.db2.gz LHOYNNJSARRQEV-SFTDATJTSA-N 2 0 372.557 3.295 10 0 FGAERP 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 713637041 /nfs/dbraw/zinc/63/70/41/713637041.db2.gz WESNIGJJSIHZDH-QCLGFWRNSA-N 2 0 351.535 3.237 10 0 FGAERP CCCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1OC ZINC000121135837 494612304 /nfs/dbraw/zinc/61/23/04/494612304.db2.gz VBXGOGNSGVQKEU-QGZVFWFLSA-N 2 0 364.530 3.009 10 0 FGAERP Cc1ncccc1C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000121181316 494635386 /nfs/dbraw/zinc/63/53/86/494635386.db2.gz LTFSZAHDIQHBGJ-JOCHJYFZSA-N 2 0 353.510 3.267 10 0 FGAERP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1ccco1 ZINC000129054751 495189289 /nfs/dbraw/zinc/18/92/89/495189289.db2.gz ZEVBZNINRYXSLA-MOPGFXCFSA-N 2 0 372.513 3.265 10 0 FGAERP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH+]2CC(C)C)c1 ZINC000124461807 495291892 /nfs/dbraw/zinc/29/18/92/495291892.db2.gz CHHLQYUFMGQSQF-HXUWFJFHSA-N 2 0 360.546 3.058 10 0 FGAERP Cc1nc(CN(C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)oc1C ZINC000106126952 495417505 /nfs/dbraw/zinc/41/75/05/495417505.db2.gz BBPLWUOKFKSPTI-HXUWFJFHSA-N 2 0 357.498 3.169 10 0 FGAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000130674980 495428966 /nfs/dbraw/zinc/42/89/66/495428966.db2.gz JGJJOZIGLKQEQO-DCCYDQLOSA-N 2 0 364.578 3.057 10 0 FGAERP C[NH+](C)C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000176176063 495531955 /nfs/dbraw/zinc/53/19/55/495531955.db2.gz YLTQFBQGOMQUHA-OAQYLSRUSA-N 2 0 372.557 3.386 10 0 FGAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000176176527 495532100 /nfs/dbraw/zinc/53/21/00/495532100.db2.gz RZOYUHIZHKIQQG-NRFANRHFSA-N 2 0 372.557 3.298 10 0 FGAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)cc2)C1 ZINC000170829382 495618137 /nfs/dbraw/zinc/61/81/37/495618137.db2.gz RERBZBRQQVCZIU-OPYAIIAOSA-N 2 0 372.557 3.010 10 0 FGAERP CCC[C@H](C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1)c1ccccc1 ZINC000180090193 495854005 /nfs/dbraw/zinc/85/40/05/495854005.db2.gz LKRJUCXZDPVJNY-PKTZIBPZSA-N 2 0 373.585 3.297 10 0 FGAERP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000174410696 495947426 /nfs/dbraw/zinc/94/74/26/495947426.db2.gz GFAPRLMTXSKSEE-GIVPXCGWSA-N 2 0 372.557 3.165 10 0 FGAERP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000171651012 495969601 /nfs/dbraw/zinc/96/96/01/495969601.db2.gz WTMBMMQBSNGPME-UYAOXDASSA-N 2 0 366.509 3.137 10 0 FGAERP CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000180511924 496027407 /nfs/dbraw/zinc/02/74/07/496027407.db2.gz HVIDPDGDAMJWDT-FUHWJXTLSA-N 2 0 371.529 3.008 10 0 FGAERP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171905451 496086280 /nfs/dbraw/zinc/08/62/80/496086280.db2.gz UWYQZJVQJAHMSY-NRFANRHFSA-N 2 0 370.541 3.052 10 0 FGAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000245424917 497398473 /nfs/dbraw/zinc/39/84/73/497398473.db2.gz SMJOBKHOFCYUEM-NQIIRXRSSA-N 2 0 372.557 3.338 10 0 FGAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000245454570 497415824 /nfs/dbraw/zinc/41/58/24/497415824.db2.gz AAJFUOIQKRIMQR-ICSRJNTNSA-N 2 0 362.562 3.052 10 0 FGAERP Fc1ccc(OCCN(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000261802954 497453716 /nfs/dbraw/zinc/45/37/16/497453716.db2.gz RQABZXOKHPNIKR-QGZVFWFLSA-N 2 0 361.486 3.305 10 0 FGAERP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261947774 497480850 /nfs/dbraw/zinc/48/08/50/497480850.db2.gz NUAWRJCQBUKTEX-KSZLIROESA-N 2 0 372.431 3.012 10 0 FGAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246792229 497811521 /nfs/dbraw/zinc/81/15/21/497811521.db2.gz CSFSWJGLULPJNC-XLIONFOSSA-N 2 0 360.546 3.056 10 0 FGAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000715575277 722415881 /nfs/dbraw/zinc/41/58/81/722415881.db2.gz XMJWZKBYXIFGQY-VPRUJKLYSA-N 2 0 353.551 3.484 10 0 FGAERP [NH3+]C[C@H]1Cc2cc(F)cc(-c3ccc(OCC[NH+]4CCCC4)cc3)c2O1 ZINC000067840200 205396599 /nfs/dbraw/zinc/39/65/99/205396599.db2.gz RKVOYESHTNDEDE-LJQANCHMSA-N 2 0 356.441 3.230 10 0 FGAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000067389508 494529857 /nfs/dbraw/zinc/52/98/57/494529857.db2.gz FCFQDLZWMMHWNC-IBGZPJMESA-N 2 0 374.573 3.270 10 0 FGAERP CC1CC[NH+](C2CCC(NC(=O)[C@@H](Cc3ccccc3)[NH+](C)C)CC2)CC1 ZINC000122474973 494981945 /nfs/dbraw/zinc/98/19/45/494981945.db2.gz CWQPEOGCDPNDGH-LZBANZJXSA-N 2 0 371.569 3.319 10 0 FGAERP C[N@H+](C[C@H](O)c1ccccc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127790 495418014 /nfs/dbraw/zinc/41/80/14/495418014.db2.gz SGDYDZMFJGKGGM-XZOQPEGZSA-N 2 0 368.521 3.097 10 0 FGAERP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106459181 495457642 /nfs/dbraw/zinc/45/76/42/495457642.db2.gz WDHTUQQQTQPIBE-QFIPXVFZSA-N 2 0 367.537 3.318 10 0 FGAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170829386 495618626 /nfs/dbraw/zinc/61/86/26/495618626.db2.gz GCYYPHCXKNLIEP-UEXGIBASSA-N 2 0 372.557 3.010 10 0 FGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000177557782 496110858 /nfs/dbraw/zinc/11/08/58/496110858.db2.gz FRECLXIAVYSEHQ-HXUWFJFHSA-N 2 0 367.541 3.193 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)cc(Br)c2)CC1 ZINC000177710432 496168131 /nfs/dbraw/zinc/16/81/31/496168131.db2.gz CJMYZXZGNZZPKH-CYBMUJFWSA-N 2 0 373.310 3.113 10 0 FGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc(Br)c1 ZINC000178322348 496411585 /nfs/dbraw/zinc/41/15/85/496411585.db2.gz SRBWXPOUCOEWJL-IRXDYDNUSA-N 2 0 364.287 3.152 10 0 FGAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175864565 496578155 /nfs/dbraw/zinc/57/81/55/496578155.db2.gz CSYAKPHSTHPWPH-HXUWFJFHSA-N 2 0 374.573 3.269 10 0 FGAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000181966471 496616584 /nfs/dbraw/zinc/61/65/84/496616584.db2.gz BEHSICDCNUZUIH-QZTJIDSGSA-N 2 0 374.529 3.026 10 0 FGAERP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000166242047 496681455 /nfs/dbraw/zinc/68/14/55/496681455.db2.gz XLLXRDNTUUNDKW-RDJZCZTQSA-N 2 0 371.447 3.204 10 0 FGAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000246969092 496738258 /nfs/dbraw/zinc/73/82/58/496738258.db2.gz FZMAZEFMJODKDK-DBXWQHBBSA-N 2 0 372.557 3.240 10 0 FGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccc(O)c1 ZINC000194886050 496747401 /nfs/dbraw/zinc/74/74/01/496747401.db2.gz YFCQWVTYVINURG-VGOFRKELSA-N 2 0 354.494 3.488 10 0 FGAERP CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000247575220 496892305 /nfs/dbraw/zinc/89/23/05/496892305.db2.gz HSKTVBJPWHBAHN-VQTJNVASSA-N 2 0 371.525 3.448 10 0 FGAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248663624 497076200 /nfs/dbraw/zinc/07/62/00/497076200.db2.gz ZWISGALTMWNFSH-VSKRKVRLSA-N 2 0 360.542 3.151 10 0 FGAERP C[N@@H+](Cc1ccc(F)nc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000189339277 497087260 /nfs/dbraw/zinc/08/72/60/497087260.db2.gz BRBWCIQBSKSYAI-HXUWFJFHSA-N 2 0 357.473 3.098 10 0 FGAERP COc1ccc(-c2nn(-c3ccccc3)cc2CN2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261940036 497479793 /nfs/dbraw/zinc/47/97/93/497479793.db2.gz DOSVHKJHDIHEBF-HRAATJIYSA-N 2 0 362.477 3.327 10 0 FGAERP CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246390946 497718303 /nfs/dbraw/zinc/71/83/03/497718303.db2.gz KXAVECJIUMZABC-GPMSIDNRSA-N 2 0 365.949 3.395 10 0 FGAERP c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000399654043 713991981 /nfs/dbraw/zinc/99/19/81/713991981.db2.gz UFUPLFAVPCKFEE-GUPWNNIGSA-N 2 0 358.551 3.151 10 0 FGAERP c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000399654040 713992045 /nfs/dbraw/zinc/99/20/45/713992045.db2.gz UFUPLFAVPCKFEE-GKCYTULTSA-N 2 0 358.551 3.151 10 0 FGAERP Cc1cc2c(c(-c3ccc(OCC[NH+]4CCCC4)cc3)c1)O[C@H](C[NH3+])C2 ZINC000067642264 205378310 /nfs/dbraw/zinc/37/83/10/205378310.db2.gz OCMMTELTNKQWSY-FQEVSTJZSA-N 2 0 352.478 3.399 10 0 FGAERP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000067569994 494570905 /nfs/dbraw/zinc/57/09/05/494570905.db2.gz FGGIQJQDCAQXBV-OAQYLSRUSA-N 2 0 372.557 3.213 10 0 FGAERP COc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1OC(C)C ZINC000121087605 494588366 /nfs/dbraw/zinc/58/83/66/494588366.db2.gz DOFZXTQLUCCUBB-KRWDZBQOSA-N 2 0 364.530 3.007 10 0 FGAERP C[NH+](C)C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000098129828 495060375 /nfs/dbraw/zinc/06/03/75/495060375.db2.gz FJZVIFZBWFESDH-NRFANRHFSA-N 2 0 351.494 3.315 10 0 FGAERP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000106126773 495416864 /nfs/dbraw/zinc/41/68/64/495416864.db2.gz MPJGHLBXAVPELI-KRWDZBQOSA-N 2 0 360.542 3.339 10 0 FGAERP CCC[C@@H](C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)[NH+](C)C ZINC000158980361 495628782 /nfs/dbraw/zinc/62/87/82/495628782.db2.gz UXSKZXNTHWBVLT-VQTJNVASSA-N 2 0 361.530 3.069 10 0 FGAERP C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000170863776 495631779 /nfs/dbraw/zinc/63/17/79/495631779.db2.gz QILBZUISHVKWTA-OAQYLSRUSA-N 2 0 351.494 3.095 10 0 FGAERP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000177092995 495922145 /nfs/dbraw/zinc/92/21/45/495922145.db2.gz HIGFYOZAFMANSW-HNNXBMFYSA-N 2 0 357.454 3.266 10 0 FGAERP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000177311219 496013495 /nfs/dbraw/zinc/01/34/95/496013495.db2.gz YSRAGKMCQXNAGR-FQEVSTJZSA-N 2 0 360.546 3.154 10 0 FGAERP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000177311198 496013730 /nfs/dbraw/zinc/01/37/30/496013730.db2.gz YSRAGKMCQXNAGR-HXUWFJFHSA-N 2 0 360.546 3.154 10 0 FGAERP Cc1nccn1CCCCNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173422634 496686214 /nfs/dbraw/zinc/68/62/14/496686214.db2.gz JDJMVVASJGLLEY-INIZCTEOSA-N 2 0 366.469 3.218 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@H+](CCOCC(F)(F)C(F)(F)F)C2)[nH+]1 ZINC000189367606 497097323 /nfs/dbraw/zinc/09/73/23/497097323.db2.gz JYLIGBPFEONRFW-ZDUSSCGKSA-N 2 0 367.362 3.338 10 0 FGAERP Cn1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(-c2cccs2)n1 ZINC000261907804 497473276 /nfs/dbraw/zinc/47/32/76/497473276.db2.gz XPYBXCFHCYHKCS-AEFFLSMTSA-N 2 0 352.507 3.323 10 0 FGAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000246640985 497792852 /nfs/dbraw/zinc/79/28/52/497792852.db2.gz JOJUHOHFECDMAN-UYAOXDASSA-N 2 0 364.578 3.013 10 0 FGAERP C[NH2+]CCc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379667604 499542910 /nfs/dbraw/zinc/54/29/10/499542910.db2.gz BQZUIMFXALQXEE-OAQYLSRUSA-N 2 0 365.521 3.233 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccsc1 ZINC000113590861 495318339 /nfs/dbraw/zinc/31/83/39/495318339.db2.gz ITSLNBYPRZLZBT-RYQLBKOJSA-N 2 0 364.559 3.009 10 0 FGAERP Cc1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000106461527 495457678 /nfs/dbraw/zinc/45/76/78/495457678.db2.gz WLRKWFSWOPOFMQ-UXHICEINSA-N 2 0 369.509 3.014 10 0 FGAERP CCCOc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1OC ZINC000179517210 495624471 /nfs/dbraw/zinc/62/44/71/495624471.db2.gz ZQQQRWUZPUZIFT-QGZVFWFLSA-N 2 0 364.530 3.009 10 0 FGAERP COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c2ccccc12 ZINC000179517935 495624499 /nfs/dbraw/zinc/62/44/99/495624499.db2.gz ZPGKLWGBQHXHMO-KRWDZBQOSA-N 2 0 356.510 3.373 10 0 FGAERP COC(=O)c1cc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C)s1 ZINC000150914407 495679362 /nfs/dbraw/zinc/67/93/62/495679362.db2.gz YFULPYCLPQJYFM-OAHLLOKOSA-N 2 0 359.495 3.481 10 0 FGAERP CCC[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[NH+](C)C ZINC000162040890 496284494 /nfs/dbraw/zinc/28/44/94/496284494.db2.gz AUNRQVJOYDAUGC-LJQANCHMSA-N 2 0 365.949 3.399 10 0 FGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cccc(CO)c1 ZINC000179122637 496682148 /nfs/dbraw/zinc/68/21/48/496682148.db2.gz NJRHFRKFCUWTDT-MBSDFSHPSA-N 2 0 368.521 3.275 10 0 FGAERP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000195254385 496863529 /nfs/dbraw/zinc/86/35/29/496863529.db2.gz ZBRXLQLPLARSPD-GOSISDBHSA-N 2 0 350.576 3.081 10 0 FGAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247503438 496875518 /nfs/dbraw/zinc/87/55/18/496875518.db2.gz XTVICZXYCHVIMW-XLIONFOSSA-N 2 0 360.546 3.008 10 0 FGAERP [NH3+][C@H]1CC[C@H](C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000237893215 497309595 /nfs/dbraw/zinc/30/95/95/497309595.db2.gz LHVOHEXNNRGOPF-VXKWHMMOSA-N 2 0 365.521 3.323 10 0 FGAERP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000237989633 497324273 /nfs/dbraw/zinc/32/42/73/497324273.db2.gz NBFBMWPVYBVHPQ-VQTJNVASSA-N 2 0 355.526 3.161 10 0 FGAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000245454572 497415544 /nfs/dbraw/zinc/41/55/44/497415544.db2.gz AAJFUOIQKRIMQR-QUCCMNQESA-N 2 0 362.562 3.052 10 0 FGAERP [NH3+]C[C@@H]1C[N@H+](CCC(=O)NCc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000261600388 497417544 /nfs/dbraw/zinc/41/75/44/497417544.db2.gz ACZJPKZLFIAMAD-MOPGFXCFSA-N 2 0 371.912 3.021 10 0 FGAERP [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccc(Cl)cc3Br)C[C@@H]12 ZINC000261717242 497438846 /nfs/dbraw/zinc/43/88/46/497438846.db2.gz JXHBESZYXOHJTM-ZKYQVNSYSA-N 2 0 359.695 3.150 10 0 FGAERP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261757642 497445758 /nfs/dbraw/zinc/44/57/58/497445758.db2.gz NVQWBFDKUUYCEH-FSSWDIPSSA-N 2 0 365.521 3.270 10 0 FGAERP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261968920 497485188 /nfs/dbraw/zinc/48/51/88/497485188.db2.gz QJNMIOVTLVICBB-ZRBLBEILSA-N 2 0 371.569 3.309 10 0 FGAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000245981881 497589527 /nfs/dbraw/zinc/58/95/27/497589527.db2.gz BEHSICDCNUZUIH-MSOLQXFVSA-N 2 0 374.529 3.026 10 0 FGAERP CCOc1ccccc1NC(=O)[C@@H](C)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246176634 497648632 /nfs/dbraw/zinc/64/86/32/497648632.db2.gz UDDBLSIEXPYEOD-SJORKVTESA-N 2 0 368.481 3.241 10 0 FGAERP CCc1nccn1[C@H]1CCCN([C@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000246222216 497666551 /nfs/dbraw/zinc/66/65/51/497666551.db2.gz LNFNNAFOVQMHFT-YOEHRIQHSA-N 2 0 374.435 3.166 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccsc1 ZINC000246357492 497707398 /nfs/dbraw/zinc/70/73/98/497707398.db2.gz DRTUZHLQESYMTC-ZWKOTPCHSA-N 2 0 364.559 3.011 10 0 FGAERP c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000399654038 713992066 /nfs/dbraw/zinc/99/20/66/713992066.db2.gz UFUPLFAVPCKFEE-DQICJUEOSA-N 2 0 358.551 3.151 10 0 FGAERP c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000399654046 713992092 /nfs/dbraw/zinc/99/20/92/713992092.db2.gz UFUPLFAVPCKFEE-OSRHQDSCSA-N 2 0 358.551 3.151 10 0 FGAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000715575273 722415900 /nfs/dbraw/zinc/41/59/00/722415900.db2.gz XMJWZKBYXIFGQY-JFBVMJNESA-N 2 0 353.551 3.484 10 0 FGAERP Nc1cc[n+](Cc2cccc(-c3cccc(C[n+]4ccc(N)cc4)c3)c2)cc1 ZINC000013837718 203922119 /nfs/dbraw/zinc/92/21/19/203922119.db2.gz BVVYTVBYQLORJL-UHFFFAOYSA-P 2 0 368.484 3.190 10 0 FGAERP C[NH+](C)Cc1csc(C[N@@H+]2CCC[C@@]3(C2)C(=O)Nc2ccccc23)c1 ZINC000215486035 206347217 /nfs/dbraw/zinc/34/72/17/206347217.db2.gz FGDPWDMSHLKRMF-FQEVSTJZSA-N 2 0 355.507 3.296 10 0 FGAERP Cc1[nH+]c(N2CCc3ccccc3C2)nc(NC[C@@H]2CCC[NH2+]C2)c1C ZINC000045947619 132375434 /nfs/dbraw/zinc/37/54/34/132375434.db2.gz WUXGETLZUKBASY-QGZVFWFLSA-N 2 0 351.498 3.068 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000121145186 494614808 /nfs/dbraw/zinc/61/48/08/494614808.db2.gz BNBDYDCFQZDTSC-CQSZACIVSA-N 2 0 360.420 3.110 10 0 FGAERP C[N@@H+](Cc1cccc(O)c1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000121178653 494633227 /nfs/dbraw/zinc/63/32/27/494633227.db2.gz NBHXMLNHLKIOPB-QFIPXVFZSA-N 2 0 354.494 3.270 10 0 FGAERP COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813242 494757683 /nfs/dbraw/zinc/75/76/83/494757683.db2.gz LGVLWMSBZYUNOT-MRXNPFEDSA-N 2 0 371.481 3.350 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(CN(C)Cc2csc(Nc3ccccc3)n2)CC1 ZINC000106124947 495417472 /nfs/dbraw/zinc/41/74/72/495417472.db2.gz CMCOPJZNOFVMAE-MRXNPFEDSA-N 2 0 374.554 3.411 10 0 FGAERP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1Br ZINC000179515658 495623776 /nfs/dbraw/zinc/62/37/76/495623776.db2.gz CEGOPHFAWACNDC-HNNXBMFYSA-N 2 0 369.347 3.282 10 0 FGAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C12CCOCC2 ZINC000186215924 495899057 /nfs/dbraw/zinc/89/90/57/495899057.db2.gz LUQYFLNIHAVEFE-NHCUHLMSSA-N 2 0 358.526 3.346 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000236881208 497162975 /nfs/dbraw/zinc/16/29/75/497162975.db2.gz OMRHYEQZIOVYIF-DJIMGWMZSA-N 2 0 371.447 3.332 10 0 FGAERP C[C@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237649765 497268634 /nfs/dbraw/zinc/26/86/34/497268634.db2.gz PHDNOAWNDCQCDG-NRSPTQNISA-N 2 0 357.542 3.183 10 0 FGAERP [NH3+][C@@H]1CCC[C@@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000237868612 497304767 /nfs/dbraw/zinc/30/47/67/497304767.db2.gz ISXWKEQNHYGYAC-FGZHOGPDSA-N 2 0 371.569 3.355 10 0 FGAERP CSc1ccccc1NC(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261638302 497425253 /nfs/dbraw/zinc/42/52/53/497425253.db2.gz FMXAGZLDNHHDSA-JQHSSLGASA-N 2 0 369.534 3.410 10 0 FGAERP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@H]1c1ccccc1 ZINC000261730861 497441169 /nfs/dbraw/zinc/44/11/69/497441169.db2.gz OJRWYNMYKKRINX-MZYLBHOOSA-N 2 0 366.505 3.419 10 0 FGAERP c1csc(CN(Cc2cccc3c2OCO3)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261802545 497454400 /nfs/dbraw/zinc/45/44/00/497454400.db2.gz VZGXUGAJINMUAC-MRXNPFEDSA-N 2 0 357.479 3.016 10 0 FGAERP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000261952263 497483095 /nfs/dbraw/zinc/48/30/95/497483095.db2.gz OMWNGSACXDMGPN-ZRBLBEILSA-N 2 0 371.569 3.165 10 0 FGAERP c1cc(C[NH+]2CCCCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261960107 497484016 /nfs/dbraw/zinc/48/40/16/497484016.db2.gz PLSWIEAHJUYWCZ-ZLNRFVROSA-N 2 0 371.569 3.309 10 0 FGAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)C1 ZINC000246028388 497600353 /nfs/dbraw/zinc/60/03/53/497600353.db2.gz RERBZBRQQVCZIU-LVCYWYKZSA-N 2 0 372.557 3.010 10 0 FGAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000246349280 497703744 /nfs/dbraw/zinc/70/37/44/497703744.db2.gz PFICSAAQNBGDGR-RTWAWAEBSA-N 2 0 370.541 3.051 10 0 FGAERP Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000246927534 497820835 /nfs/dbraw/zinc/82/08/35/497820835.db2.gz GVRHBWUEHXRAQR-WOJBJXKFSA-N 2 0 371.525 3.393 10 0 FGAERP CCn1nc(C)c([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000397624477 499564694 /nfs/dbraw/zinc/56/46/94/499564694.db2.gz KCBQPAILDJNRQY-QGZVFWFLSA-N 2 0 370.541 3.198 10 0 FGAERP Cc1nccn1CCCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000174453678 705505084 /nfs/dbraw/zinc/50/50/84/705505084.db2.gz LIIPZUKOSZRBIK-QGZVFWFLSA-N 2 0 350.507 3.208 10 0 FGAERP C[C@@H]([NH3+])CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000261893105 713715679 /nfs/dbraw/zinc/71/56/79/713715679.db2.gz WUYADOMNCNICJE-CYBMUJFWSA-N 2 0 358.313 3.155 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000121154911 494620439 /nfs/dbraw/zinc/62/04/39/494620439.db2.gz NNQHPSNKTPEXEM-CYBMUJFWSA-N 2 0 362.411 3.369 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000123416240 495129370 /nfs/dbraw/zinc/12/93/70/495129370.db2.gz HMFJQQLSRDQJGV-OAQYLSRUSA-N 2 0 358.574 3.133 10 0 FGAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000124333537 495271428 /nfs/dbraw/zinc/27/14/28/495271428.db2.gz OEXKBCAWVSNFEU-HXUWFJFHSA-N 2 0 364.578 3.203 10 0 FGAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000113584492 495317474 /nfs/dbraw/zinc/31/74/74/495317474.db2.gz IVADIGPFURFWBP-GHTZIAJQSA-N 2 0 370.541 3.051 10 0 FGAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113595818 495319665 /nfs/dbraw/zinc/31/96/65/495319665.db2.gz KGNKJUUWCDZSGL-HXUWFJFHSA-N 2 0 374.573 3.269 10 0 FGAERP Cc1csc(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000130517649 495404562 /nfs/dbraw/zinc/40/45/62/495404562.db2.gz GUUVWEBFLRFCGH-IBGZPJMESA-N 2 0 359.539 3.329 10 0 FGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000106907450 495509717 /nfs/dbraw/zinc/50/97/17/495509717.db2.gz JEVMJZVBNOBMBY-SVFBPWRDSA-N 2 0 359.558 3.034 10 0 FGAERP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C12CCOCC2 ZINC000186295850 495933127 /nfs/dbraw/zinc/93/31/27/495933127.db2.gz DLMKKXADHUQMAY-UXHICEINSA-N 2 0 350.547 3.205 10 0 FGAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177246786 495992627 /nfs/dbraw/zinc/99/26/27/495992627.db2.gz JYCPWSOZOFKDHU-OAQYLSRUSA-N 2 0 357.542 3.073 10 0 FGAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152702102 496230800 /nfs/dbraw/zinc/23/08/00/496230800.db2.gz GFXUQSBBVVMPQK-MHJFOBGBSA-N 2 0 364.578 3.155 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000166242156 496680490 /nfs/dbraw/zinc/68/04/90/496680490.db2.gz XLLXRDNTUUNDKW-DOTOQJQBSA-N 2 0 371.447 3.204 10 0 FGAERP CCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000166243014 496681370 /nfs/dbraw/zinc/68/13/70/496681370.db2.gz LXVLQQLKARUYLU-JKSUJKDBSA-N 2 0 359.436 3.332 10 0 FGAERP CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000195184319 496843582 /nfs/dbraw/zinc/84/35/82/496843582.db2.gz ZWISGALTMWNFSH-YPAWHYETSA-N 2 0 360.542 3.151 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)C3CCCCC3)C2)[nH+]1 ZINC000247361190 496844633 /nfs/dbraw/zinc/84/46/33/496844633.db2.gz MJYWKWJWWDRWBG-MSOLQXFVSA-N 2 0 358.530 3.303 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C12CCOCC2 ZINC000248988784 497146620 /nfs/dbraw/zinc/14/66/20/497146620.db2.gz KPCZGTIUUHWYDH-LWYYNNOASA-N 2 0 352.563 3.308 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C12CCOCC2 ZINC000249054500 497155393 /nfs/dbraw/zinc/15/53/93/497155393.db2.gz XJWOIIRLVHRXER-QGZVKYPTSA-N 2 0 350.547 3.203 10 0 FGAERP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000251955404 497292692 /nfs/dbraw/zinc/29/26/92/497292692.db2.gz YUOXJUKUMPDKSW-UYAOXDASSA-N 2 0 357.542 3.134 10 0 FGAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000261857612 497462914 /nfs/dbraw/zinc/46/29/14/497462914.db2.gz MWTMCCLLLPYHJY-HYUQFDPSSA-N 2 0 355.526 3.063 10 0 FGAERP CC1CC[NH+]([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000261958350 497483064 /nfs/dbraw/zinc/48/30/64/497483064.db2.gz PFEUTYMKFZSLFK-GSPCLOLRSA-N 2 0 371.569 3.206 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261983021 497487688 /nfs/dbraw/zinc/48/76/88/497487688.db2.gz RWPAWVZLZOKREN-HWHRFOGPSA-N 2 0 371.569 3.308 10 0 FGAERP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246390956 497718288 /nfs/dbraw/zinc/71/82/88/497718288.db2.gz KXAVECJIUMZABC-MDZRGWNJSA-N 2 0 365.949 3.395 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(CSC(F)F)o2)CC1 ZINC000121140908 700666669 /nfs/dbraw/zinc/66/66/69/700666669.db2.gz NZSGIIMBUQLMHP-ZDUSSCGKSA-N 2 0 362.486 3.260 10 0 FGAERP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156440666 705116281 /nfs/dbraw/zinc/11/62/81/705116281.db2.gz OKFVAUFDJWLNSX-FUHWJXTLSA-N 2 0 353.551 3.344 10 0 FGAERP C[C@H](CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCCC1 ZINC000184335106 712671025 /nfs/dbraw/zinc/67/10/25/712671025.db2.gz BZBSKTFOVOMQDG-MSOLQXFVSA-N 2 0 353.551 3.488 10 0 FGAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000301314901 713781871 /nfs/dbraw/zinc/78/18/71/713781871.db2.gz SPBGRGFJBYSEFI-RCCFBDPRSA-N 2 0 353.551 3.342 10 0 FGAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000714242422 722415063 /nfs/dbraw/zinc/41/50/63/722415063.db2.gz ANSYLHZGMVNUFT-ZRZPHAQCSA-N 2 0 353.551 3.486 10 0 FGAERP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105094129 495335957 /nfs/dbraw/zinc/33/59/57/495335957.db2.gz QNKXJVZFGGHJOE-NRFANRHFSA-N 2 0 370.541 3.052 10 0 FGAERP CCC[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)[NH+](C)C ZINC000136397819 495377546 /nfs/dbraw/zinc/37/75/46/495377546.db2.gz VBSFCHDZNMVPCA-IBGZPJMESA-N 2 0 374.529 3.170 10 0 FGAERP O[C@@H](COCc1ccc(Cl)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173871094 495726859 /nfs/dbraw/zinc/72/68/59/495726859.db2.gz NPCLOJLHHHQOTP-UYAOXDASSA-N 2 0 366.933 3.025 10 0 FGAERP CCC[C@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[NH+](C)C ZINC000186130960 495866963 /nfs/dbraw/zinc/86/69/63/495866963.db2.gz VGMYRWZBFIXLHK-CVEARBPZSA-N 2 0 359.436 3.155 10 0 FGAERP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000174236862 495876024 /nfs/dbraw/zinc/87/60/24/495876024.db2.gz GTAKJBQWPREXRZ-NHCUHLMSSA-N 2 0 372.557 3.024 10 0 FGAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)C12CCOCC2 ZINC000186316254 495944675 /nfs/dbraw/zinc/94/46/75/495944675.db2.gz XCBPWPIVNLGUPO-BHDDXSALSA-N 2 0 372.553 3.115 10 0 FGAERP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C12CCOCC2 ZINC000186371628 495969748 /nfs/dbraw/zinc/96/97/48/495969748.db2.gz PQXQLHPWZAWYBI-WOJBJXKFSA-N 2 0 350.547 3.347 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCCC3=CCCCC3)C2)[nH+]1 ZINC000171652946 495971865 /nfs/dbraw/zinc/97/18/65/495971865.db2.gz ZGXOUILWICOSFG-IBGZPJMESA-N 2 0 356.514 3.131 10 0 FGAERP CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000180511942 496027016 /nfs/dbraw/zinc/02/70/16/496027016.db2.gz HVIDPDGDAMJWDT-WMZOPIPTSA-N 2 0 371.529 3.008 10 0 FGAERP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(-n3ccnc3)cc1)CC2 ZINC000180642504 496082759 /nfs/dbraw/zinc/08/27/59/496082759.db2.gz NERATBYJMCQFKR-DOTOQJQBSA-N 2 0 350.470 3.253 10 0 FGAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246997732 496747334 /nfs/dbraw/zinc/74/73/34/496747334.db2.gz GTPVEQMWPXXEGO-JYRKZWEQSA-N 2 0 372.557 3.067 10 0 FGAERP [NH3+][C@@H](CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000237890429 497307929 /nfs/dbraw/zinc/30/79/29/497307929.db2.gz NRRXITYCPXHXRA-RTWAWAEBSA-N 2 0 351.494 3.247 10 0 FGAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000262028102 497495243 /nfs/dbraw/zinc/49/52/43/497495243.db2.gz WWCQHMCGQXQCRH-APHBMKBZSA-N 2 0 350.388 3.265 10 0 FGAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000262305124 497536816 /nfs/dbraw/zinc/53/68/16/497536816.db2.gz RFXINGDZPXNHBD-JWWGGVBKSA-N 2 0 357.542 3.298 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@H](O)COCc2ccccc2)C1 ZINC000246325635 497696017 /nfs/dbraw/zinc/69/60/17/497696017.db2.gz NIFHWLRAKNFCPP-HJNYFJLDSA-N 2 0 360.542 3.151 10 0 FGAERP O[C@]12CCCC[C@@H]1C[NH+](CCCC[N@@H+]1CC[C@@]3(O)CCCC[C@H]3C1)CC2 ZINC000246940566 497821305 /nfs/dbraw/zinc/82/13/05/497821305.db2.gz NOOJQOFXODYPRF-LRSLUSHPSA-N 2 0 364.574 3.021 10 0 FGAERP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000311910184 498756074 /nfs/dbraw/zinc/75/60/74/498756074.db2.gz DZZBDFFJJWOPIC-AYWYSENESA-N 2 0 350.510 3.298 10 0 FGAERP C[NH+](C)CC1(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC000185292171 712691097 /nfs/dbraw/zinc/69/10/97/712691097.db2.gz ORQMLXBRXKTZFM-KRWDZBQOSA-N 2 0 353.551 3.345 10 0 FGAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132208611 494839426 /nfs/dbraw/zinc/83/94/26/494839426.db2.gz XTVICZXYCHVIMW-FXAWDEMLSA-N 2 0 360.546 3.008 10 0 FGAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000119508942 495179561 /nfs/dbraw/zinc/17/95/61/495179561.db2.gz MIBFYWPIBGFVSK-MRXNPFEDSA-N 2 0 357.498 3.345 10 0 FGAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113591017 495318890 /nfs/dbraw/zinc/31/88/90/495318890.db2.gz YCXSWOXZFHDREJ-SFHVURJKSA-N 2 0 360.546 3.023 10 0 FGAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104989358 495322793 /nfs/dbraw/zinc/32/27/93/495322793.db2.gz UXWLEWZXLLMYAF-SFHVURJKSA-N 2 0 374.529 3.109 10 0 FGAERP CC(C)[N@H+]1C[C@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)[C@@H](C)C1 ZINC000130675155 495428422 /nfs/dbraw/zinc/42/84/22/495428422.db2.gz JGJJOZIGLKQEQO-FVELJTHGSA-N 2 0 364.578 3.057 10 0 FGAERP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C12CCOCC2 ZINC000186295835 495932771 /nfs/dbraw/zinc/93/27/71/495932771.db2.gz DLMKKXADHUQMAY-WOJBJXKFSA-N 2 0 350.547 3.205 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)C3CCC(C)CC3)C2)[nH+]1 ZINC000171651768 495969852 /nfs/dbraw/zinc/96/98/52/495969852.db2.gz HODPEKJYNNEUJW-CUYAVPTFSA-N 2 0 358.530 3.161 10 0 FGAERP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180644098 496084555 /nfs/dbraw/zinc/08/45/55/496084555.db2.gz PAVJGOKADNWLHB-FUHWJXTLSA-N 2 0 371.529 3.008 10 0 FGAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000157523275 496495369 /nfs/dbraw/zinc/49/53/69/496495369.db2.gz CSFSWJGLULPJNC-FXAWDEMLSA-N 2 0 360.546 3.056 10 0 FGAERP CCC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000158461342 496706654 /nfs/dbraw/zinc/70/66/54/496706654.db2.gz AZVNXLOOOKFYEX-IRXDYDNUSA-N 2 0 371.447 3.126 10 0 FGAERP O[C@@H](COCc1ccc(Cl)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247523177 496880429 /nfs/dbraw/zinc/88/04/29/496880429.db2.gz NPCLOJLHHHQOTP-AZUAARDMSA-N 2 0 366.933 3.025 10 0 FGAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000251955403 497293063 /nfs/dbraw/zinc/29/30/63/497293063.db2.gz YUOXJUKUMPDKSW-AZUAARDMSA-N 2 0 357.542 3.134 10 0 FGAERP Cc1ccccc1Cc1noc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261638269 497425005 /nfs/dbraw/zinc/42/50/05/497425005.db2.gz FLHHNWUIXSRUPN-UXHICEINSA-N 2 0 362.477 3.143 10 0 FGAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000262305129 497537745 /nfs/dbraw/zinc/53/77/45/497537745.db2.gz RFXINGDZPXNHBD-OVQGTLEDSA-N 2 0 357.542 3.298 10 0 FGAERP CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000246224468 497667965 /nfs/dbraw/zinc/66/79/65/497667965.db2.gz BSDRGHOTZRVRAY-HZPDHXFCSA-N 2 0 363.889 3.176 10 0 FGAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116532612 494809813 /nfs/dbraw/zinc/80/98/13/494809813.db2.gz FRHCQODQYHWBBI-GHTZIAJQSA-N 2 0 374.573 3.488 10 0 FGAERP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000118948804 495055396 /nfs/dbraw/zinc/05/53/96/495055396.db2.gz WPILNSMGLMSLHA-FQEVSTJZSA-N 2 0 360.546 3.154 10 0 FGAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103305074 495217102 /nfs/dbraw/zinc/21/71/02/495217102.db2.gz KRSCOAHSVDJASR-RBUKOAKNSA-N 2 0 352.567 3.014 10 0 FGAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000113584489 495317842 /nfs/dbraw/zinc/31/78/42/495317842.db2.gz IVADIGPFURFWBP-WIYYLYMNSA-N 2 0 370.541 3.051 10 0 FGAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](Cc3ccccc3)[NH+](C)C)C2)CC1 ZINC000106434981 495455708 /nfs/dbraw/zinc/45/57/08/495455708.db2.gz IUBJBXLZYBBYHN-VXKWHMMOSA-N 2 0 371.569 3.130 10 0 FGAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000106917312 495511748 /nfs/dbraw/zinc/51/17/48/495511748.db2.gz JTTDAPDLOKZYIK-FCHUYYIVSA-N 2 0 371.569 3.274 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000170862971 495631311 /nfs/dbraw/zinc/63/13/11/495631311.db2.gz NIBAHELHXYJVJR-MAUKXSAKSA-N 2 0 366.937 3.068 10 0 FGAERP Cc1ccc(-c2cc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)on2)cc1 ZINC000170941743 495661028 /nfs/dbraw/zinc/66/10/28/495661028.db2.gz GIWHCIHCYGHKEC-QGZVFWFLSA-N 2 0 357.498 3.175 10 0 FGAERP O[C@H](COCc1ccc(Cl)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173871110 495727061 /nfs/dbraw/zinc/72/70/61/495727061.db2.gz NPCLOJLHHHQOTP-QUCCMNQESA-N 2 0 366.933 3.025 10 0 FGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cncc(F)c1 ZINC000151935426 495997670 /nfs/dbraw/zinc/99/76/70/495997670.db2.gz DCCABKSPSXQHPW-IERDGZPVSA-N 2 0 357.473 3.317 10 0 FGAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246997759 496747394 /nfs/dbraw/zinc/74/73/94/496747394.db2.gz GTPVEQMWPXXEGO-QCFAMHMHSA-N 2 0 372.557 3.067 10 0 FGAERP C[C@H](CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237657604 497271093 /nfs/dbraw/zinc/27/10/93/497271093.db2.gz PHDNOAWNDCQCDG-HMXCVIKNSA-N 2 0 357.542 3.183 10 0 FGAERP C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261616543 497419995 /nfs/dbraw/zinc/41/99/95/497419995.db2.gz CMYNFVQYWASWHG-GMBSWORKSA-N 2 0 357.885 3.341 10 0 FGAERP CC[C@H](C(=O)Nc1ccc(OC)cc1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261778367 497449100 /nfs/dbraw/zinc/44/91/00/497449100.db2.gz PGBQGNQZZOKKDT-JRGCBEDISA-N 2 0 367.493 3.087 10 0 FGAERP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000261840990 497460378 /nfs/dbraw/zinc/46/03/78/497460378.db2.gz UMFSVKMSVDXEIQ-SJORKVTESA-N 2 0 357.885 3.343 10 0 FGAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000262028107 497495178 /nfs/dbraw/zinc/49/51/78/497495178.db2.gz WWCQHMCGQXQCRH-UHOFOFEASA-N 2 0 350.388 3.265 10 0 FGAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000246412311 497725166 /nfs/dbraw/zinc/72/51/66/497725166.db2.gz SCAJDOYMKFNLKT-RTWAWAEBSA-N 2 0 370.541 3.051 10 0 FGAERP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000380957286 713977426 /nfs/dbraw/zinc/97/74/26/713977426.db2.gz AHPZQHLBLQJOHO-DLBZAZTESA-N 2 0 353.551 3.344 10 0 FGAERP Cc1nc[nH]c1C[NH+]1CCC([C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000011817968 207324834 /nfs/dbraw/zinc/32/48/34/207324834.db2.gz HUPUEERJLURWFA-OAQYLSRUSA-N 2 0 352.526 3.495 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000121131645 494610894 /nfs/dbraw/zinc/61/08/94/494610894.db2.gz HFRKRIPHYDSKDK-ZDUSSCGKSA-N 2 0 362.411 3.369 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1)c1ccco1 ZINC000129054984 495189326 /nfs/dbraw/zinc/18/93/26/495189326.db2.gz ZEVBZNINRYXSLA-RTBURBONSA-N 2 0 372.513 3.265 10 0 FGAERP CCC(CC)(CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000113626561 495323013 /nfs/dbraw/zinc/32/30/13/495323013.db2.gz MXBSEGIMCMDRDT-PKOBYXMFSA-N 2 0 360.546 3.242 10 0 FGAERP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000136957006 495412398 /nfs/dbraw/zinc/41/23/98/495412398.db2.gz GXSNHLNGHOCSEV-KRWDZBQOSA-N 2 0 368.481 3.243 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)c3cccnc23)CC1 ZINC000106124830 495416749 /nfs/dbraw/zinc/41/67/49/495416749.db2.gz MQDXEANWXPKYAG-HNNXBMFYSA-N 2 0 361.917 3.413 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Cl)cc3cccnc32)CC1 ZINC000170941870 495661091 /nfs/dbraw/zinc/66/10/91/495661091.db2.gz SSVYDUPOAQAZJB-HNNXBMFYSA-N 2 0 361.917 3.413 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCCC3=CCCCC3)C2)[nH+]1 ZINC000171652951 495971678 /nfs/dbraw/zinc/97/16/78/495971678.db2.gz ZGXOUILWICOSFG-LJQANCHMSA-N 2 0 356.514 3.131 10 0 FGAERP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000177375924 496038231 /nfs/dbraw/zinc/03/82/31/496038231.db2.gz SRYLUNHNCIRNPJ-HXUWFJFHSA-N 2 0 360.546 3.154 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000177389768 496042777 /nfs/dbraw/zinc/04/27/77/496042777.db2.gz YFXDOECSAVDEJQ-HXUWFJFHSA-N 2 0 360.546 3.153 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Br)cs2)CC1 ZINC000172014274 496130272 /nfs/dbraw/zinc/13/02/72/496130272.db2.gz YYFLGUJRNOSOBH-GFCCVEGCSA-N 2 0 361.349 3.035 10 0 FGAERP Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248398681 496996319 /nfs/dbraw/zinc/99/63/19/496996319.db2.gz JDUWSTDCQXFEPZ-MHTWAQMVSA-N 2 0 365.525 3.312 10 0 FGAERP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC(F)F ZINC000261603307 497416924 /nfs/dbraw/zinc/41/69/24/497416924.db2.gz ARODJPPZNPENNW-SJORKVTESA-N 2 0 362.420 3.471 10 0 FGAERP CCOCc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1OC ZINC000261821607 497456345 /nfs/dbraw/zinc/45/63/45/497456345.db2.gz XYJNSIJABUGDIC-RTWAWAEBSA-N 2 0 354.494 3.406 10 0 FGAERP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262326722 497540901 /nfs/dbraw/zinc/54/09/01/497540901.db2.gz GCWKTYVEMPKXSL-DOTOQJQBSA-N 2 0 371.447 3.113 10 0 FGAERP CN(Cc1nc(-c2cccc(Br)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000262475223 497562298 /nfs/dbraw/zinc/56/22/98/497562298.db2.gz JOJAJCQJFXSGFB-AWEZNQCLSA-N 2 0 365.275 3.073 10 0 FGAERP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000194179798 497595168 /nfs/dbraw/zinc/59/51/68/497595168.db2.gz HBPPUBCTWNIOQT-KRWDZBQOSA-N 2 0 366.575 3.086 10 0 FGAERP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905559 498762874 /nfs/dbraw/zinc/76/28/74/498762874.db2.gz JYSDHSMORICZEZ-SFTDATJTSA-N 2 0 372.509 3.049 10 0 FGAERP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156440786 705116199 /nfs/dbraw/zinc/11/61/99/705116199.db2.gz OKFVAUFDJWLNSX-SJLPKXTDSA-N 2 0 353.551 3.344 10 0 FGAERP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000249033577 713662568 /nfs/dbraw/zinc/66/25/68/713662568.db2.gz MCRIBBQTJBSECV-SQNIBIBYSA-N 2 0 353.551 3.486 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc(-c3cccs3)s2)CC1 ZINC000121130206 494611136 /nfs/dbraw/zinc/61/11/36/494611136.db2.gz DTDNMMQUBQSGDA-AWEZNQCLSA-N 2 0 365.568 3.396 10 0 FGAERP CCC(CC)(CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000113626564 495322697 /nfs/dbraw/zinc/32/26/97/495322697.db2.gz MXBSEGIMCMDRDT-MJGOQNOKSA-N 2 0 360.546 3.242 10 0 FGAERP Cc1csc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000130517883 495404406 /nfs/dbraw/zinc/40/44/06/495404406.db2.gz GUUVWEBFLRFCGH-LJQANCHMSA-N 2 0 359.539 3.329 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000106124916 495416768 /nfs/dbraw/zinc/41/67/68/495416768.db2.gz OBBIGGWPMPYXHS-AWEZNQCLSA-N 2 0 360.420 3.110 10 0 FGAERP C[C@H](O)C[NH+]1CCC(CN(C)Cc2csc(Cc3ccccc3)n2)CC1 ZINC000106124840 495417372 /nfs/dbraw/zinc/41/73/72/495417372.db2.gz HCFXSOUEVNZIEI-KRWDZBQOSA-N 2 0 373.566 3.259 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000107304132 495524994 /nfs/dbraw/zinc/52/49/94/495524994.db2.gz CZQVWWUSBSLAEI-HNNXBMFYSA-N 2 0 374.447 3.109 10 0 FGAERP C[C@@H](C[NH2+]C1c2ccccc2CCc2ccccc21)CN1CC[NH+](C)CC1 ZINC000180439695 495996562 /nfs/dbraw/zinc/99/65/62/495996562.db2.gz PTGFRNDISGEXRN-IBGZPJMESA-N 2 0 363.549 3.348 10 0 FGAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247121378 496785841 /nfs/dbraw/zinc/78/58/41/496785841.db2.gz FTFWQCFJAUBSCS-QZTJIDSGSA-N 2 0 374.529 3.108 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc4c(c3)sc(=O)n4C)C2)[nH+]1 ZINC000195001395 496786986 /nfs/dbraw/zinc/78/69/86/496786986.db2.gz NTZBIIFUUVCOND-INIZCTEOSA-N 2 0 368.506 3.237 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)C12CCOCC2 ZINC000249053350 497155599 /nfs/dbraw/zinc/15/55/99/497155599.db2.gz XCBPWPIVNLGUPO-BHIFYINESA-N 2 0 372.553 3.115 10 0 FGAERP Cc1csc([C@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000192728987 497198244 /nfs/dbraw/zinc/19/82/44/497198244.db2.gz NYXBHBKZYBCORI-SFHVURJKSA-N 2 0 350.576 3.047 10 0 FGAERP CSc1ccccc1NC(=O)[C@@H](C)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261638304 497425336 /nfs/dbraw/zinc/42/53/36/497425336.db2.gz FMXAGZLDNHHDSA-NXHRZFHOSA-N 2 0 369.534 3.410 10 0 FGAERP C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261655587 497428502 /nfs/dbraw/zinc/42/85/02/497428502.db2.gz GQQZVWCFNPUZCE-CVAIRZPRSA-N 2 0 371.912 3.019 10 0 FGAERP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261801839 497454109 /nfs/dbraw/zinc/45/41/09/497454109.db2.gz GXWFGCCEKXWDCR-CTNGQTDRSA-N 2 0 361.493 3.058 10 0 FGAERP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261947778 497481052 /nfs/dbraw/zinc/48/10/52/497481052.db2.gz NUAWRJCQBUKTEX-RCCFBDPRSA-N 2 0 372.431 3.012 10 0 FGAERP CC1CC[NH+]([C@H](CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000261958353 497482830 /nfs/dbraw/zinc/48/28/30/497482830.db2.gz PFEUTYMKFZSLFK-SSGKUCQKSA-N 2 0 371.569 3.206 10 0 FGAERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)cc2)C1 ZINC000262046048 497499024 /nfs/dbraw/zinc/49/90/24/497499024.db2.gz ZBIFZEOTLJMQRS-YJSIEXFISA-N 2 0 371.569 3.165 10 0 FGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)CCC1CC[NH2+]CC1 ZINC000263310796 497755275 /nfs/dbraw/zinc/75/52/75/497755275.db2.gz YOWGRFWBTZVGGQ-MOJGAOKDSA-N 2 0 371.569 3.381 10 0 FGAERP O[C@@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905548 498762522 /nfs/dbraw/zinc/76/25/22/498762522.db2.gz JYSDHSMORICZEZ-RTWAWAEBSA-N 2 0 372.509 3.049 10 0 FGAERP CC[NH+](CC)CCNc1cc(N2CCOCC2)[nH+]c2ccc(Cl)cc12 ZINC000253495203 535542048 /nfs/dbraw/zinc/54/20/48/535542048.db2.gz JMVFBMURMMNLRY-UHFFFAOYSA-N 2 0 362.905 3.479 10 0 FGAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116529055 494808429 /nfs/dbraw/zinc/80/84/29/494808429.db2.gz SQDVFBGQYSTAAK-ROUUACIJSA-N 2 0 360.546 3.242 10 0 FGAERP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000121642471 494827965 /nfs/dbraw/zinc/82/79/65/494827965.db2.gz JVKPFQGHPFMMRN-VIQWUECVSA-N 2 0 352.567 3.059 10 0 FGAERP Cc1cc(C)n(-c2ccc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc2)n1 ZINC000106124868 495416816 /nfs/dbraw/zinc/41/68/16/495416816.db2.gz PZWKTOKHUXOEKT-LJQANCHMSA-N 2 0 370.541 3.014 10 0 FGAERP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000182584405 495624277 /nfs/dbraw/zinc/62/42/77/495624277.db2.gz DFTKVMVGUCUKQK-IBGZPJMESA-N 2 0 352.567 3.014 10 0 FGAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000182143681 496686549 /nfs/dbraw/zinc/68/65/49/496686549.db2.gz DUBVHKPZCORDEO-HXUWFJFHSA-N 2 0 359.558 3.381 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000245417665 497396087 /nfs/dbraw/zinc/39/60/87/497396087.db2.gz KFMIECBZRQKNDG-ZWKOTPCHSA-N 2 0 366.575 3.257 10 0 FGAERP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000261952260 497482437 /nfs/dbraw/zinc/48/24/37/497482437.db2.gz OMWNGSACXDMGPN-YTFSRNRJSA-N 2 0 371.569 3.165 10 0 FGAERP Brc1cccc(N[C@@H]2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000262048871 497499382 /nfs/dbraw/zinc/49/93/82/497499382.db2.gz ZJZJBHIQYKLUHW-RHSMWYFYSA-N 2 0 352.320 3.325 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)[C@H]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000246182004 497650647 /nfs/dbraw/zinc/65/06/47/497650647.db2.gz UVQXICNRTTZDOE-WDSOQIARSA-N 2 0 358.530 3.161 10 0 FGAERP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156591618 705123680 /nfs/dbraw/zinc/12/36/80/705123680.db2.gz SJZDQUKQSVWZGL-FJIDUMEYSA-N 2 0 353.551 3.484 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000247195436 713636838 /nfs/dbraw/zinc/63/68/38/713636838.db2.gz UGTLTOSIBPLYBN-QZTJIDSGSA-N 2 0 353.551 3.488 10 0 FGAERP C[C@H]([NH3+])CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000261893107 713715805 /nfs/dbraw/zinc/71/58/05/713715805.db2.gz WUYADOMNCNICJE-ZDUSSCGKSA-N 2 0 358.313 3.155 10 0 FGAERP COc1ccccc1C[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C(C)C ZINC000132558138 494892453 /nfs/dbraw/zinc/89/24/53/494892453.db2.gz OWEYTSBSCFYSAD-RTWAWAEBSA-N 2 0 361.574 3.124 10 0 FGAERP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000118545630 495008181 /nfs/dbraw/zinc/00/81/81/495008181.db2.gz IKOLBUPMDRXNAX-LJQANCHMSA-N 2 0 374.529 3.109 10 0 FGAERP CC[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH+]1CCOC ZINC000120950936 495491010 /nfs/dbraw/zinc/49/10/10/495491010.db2.gz ZXEZLYKAUIRNMN-OAQYLSRUSA-N 2 0 361.574 3.187 10 0 FGAERP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000173950496 495759639 /nfs/dbraw/zinc/75/96/39/495759639.db2.gz BDIYKDAMLXSIHD-MOPGFXCFSA-N 2 0 354.922 3.024 10 0 FGAERP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000171279133 495802415 /nfs/dbraw/zinc/80/24/15/495802415.db2.gz VOUIWKXRYQRMNS-JOCHJYFZSA-N 2 0 363.505 3.239 10 0 FGAERP CCC[C@@H](C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1)c1ccccc1 ZINC000180090146 495854992 /nfs/dbraw/zinc/85/49/92/495854992.db2.gz LKRJUCXZDPVJNY-XZOQPEGZSA-N 2 0 373.585 3.297 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N(C3CC3)C3CCCC3)C2)[nH+]1 ZINC000171649122 495968893 /nfs/dbraw/zinc/96/88/93/495968893.db2.gz OKNILUWLJGIAAX-QGZVFWFLSA-N 2 0 356.514 3.057 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C12CCOCC2 ZINC000186498813 496021225 /nfs/dbraw/zinc/02/12/25/496021225.db2.gz XJWOIIRLVHRXER-KVPLUYHFSA-N 2 0 350.547 3.203 10 0 FGAERP CNc1cc(N2CCC[C@H]2CN[C@@H](C)c2ncc(C(C)(C)C)o2)ncn1 ZINC000175184681 496282139 /nfs/dbraw/zinc/28/21/39/496282139.db2.gz IWZSQMACEOKONV-KBPBESRZSA-N 2 0 358.490 3.123 10 0 FGAERP CCC[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[NH+](C)C ZINC000162040766 496284129 /nfs/dbraw/zinc/28/41/29/496284129.db2.gz AUNRQVJOYDAUGC-IBGZPJMESA-N 2 0 365.949 3.399 10 0 FGAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000157824194 496563911 /nfs/dbraw/zinc/56/39/11/496563911.db2.gz ZTGZRMSTDZBQIA-PXNSSMCTSA-N 2 0 360.546 3.055 10 0 FGAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153857245 496603847 /nfs/dbraw/zinc/60/38/47/496603847.db2.gz VTLVJEQMAYQCLL-QFIPXVFZSA-N 2 0 371.569 3.274 10 0 FGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccc(CO)c1 ZINC000179122673 496682058 /nfs/dbraw/zinc/68/20/58/496682058.db2.gz NJRHFRKFCUWTDT-WZONZLPQSA-N 2 0 368.521 3.275 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C12CCOCC2 ZINC000195131897 496829699 /nfs/dbraw/zinc/82/96/99/496829699.db2.gz TXKGGQUYWVMWPS-PCCBWWKXSA-N 2 0 358.526 3.072 10 0 FGAERP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1c1ccccc1 ZINC000261811024 497455153 /nfs/dbraw/zinc/45/51/53/497455153.db2.gz WVCCASMZNQBBSE-CTNGQTDRSA-N 2 0 360.461 3.443 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000262297288 497535722 /nfs/dbraw/zinc/53/57/22/497535722.db2.gz PEUKEYKGNJQVMB-RLFYNMQTSA-N 2 0 351.922 3.357 10 0 FGAERP CCC[NH+]1CCC(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130087293 700795980 /nfs/dbraw/zinc/79/59/80/700795980.db2.gz FDEMLCSYZPFWCT-SFHVURJKSA-N 2 0 353.551 3.345 10 0 FGAERP 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 713637170 /nfs/dbraw/zinc/63/71/70/713637170.db2.gz WESNIGJJSIHZDH-XWDNEUNKSA-N 2 0 351.535 3.237 10 0 FGAERP COc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(OC)c1OC ZINC000092813116 494759324 /nfs/dbraw/zinc/75/93/24/494759324.db2.gz VQTRFTHIHQSQNE-MRXNPFEDSA-N 2 0 371.481 3.350 10 0 FGAERP CN(c1ccccc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000131904800 494770413 /nfs/dbraw/zinc/77/04/13/494770413.db2.gz RECLQHRBKAXHNG-JOCHJYFZSA-N 2 0 367.541 3.288 10 0 FGAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000120896587 495480576 /nfs/dbraw/zinc/48/05/76/495480576.db2.gz FZMAZEFMJODKDK-LQWHRVPQSA-N 2 0 372.557 3.240 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C3CCCCC3)C2)[nH+]1 ZINC000151117593 495743746 /nfs/dbraw/zinc/74/37/46/495743746.db2.gz MJYWKWJWWDRWBG-ZWKOTPCHSA-N 2 0 358.530 3.303 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(CN(C)Cc2c(F)cccc2Br)CC1 ZINC000180477858 496012690 /nfs/dbraw/zinc/01/26/90/496012690.db2.gz PUTNENJAUGLKKU-CYBMUJFWSA-N 2 0 373.310 3.113 10 0 FGAERP CNc1cc(N2CCC[C@H]2CN[C@H](C)c2ncc(C(C)(C)C)o2)ncn1 ZINC000175184707 496281920 /nfs/dbraw/zinc/28/19/20/496281920.db2.gz IWZSQMACEOKONV-KGLIPLIRSA-N 2 0 358.490 3.123 10 0 FGAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000156732771 496321693 /nfs/dbraw/zinc/32/16/93/496321693.db2.gz FGMFGGMTSHRDCG-FXAWDEMLSA-N 2 0 360.546 3.056 10 0 FGAERP Cc1ncsc1CC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000172535643 496331679 /nfs/dbraw/zinc/33/16/79/496331679.db2.gz ULQMJHSTZGUCQN-HXUWFJFHSA-N 2 0 373.566 3.371 10 0 FGAERP CCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1OCC ZINC000178609855 496515023 /nfs/dbraw/zinc/51/50/23/496515023.db2.gz PGQLAROPXQIYRW-KRWDZBQOSA-N 2 0 364.530 3.009 10 0 FGAERP CC(C)[N@H+]1C[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000164778767 496632453 /nfs/dbraw/zinc/63/24/53/496632453.db2.gz YUOXJUKUMPDKSW-ICSRJNTNSA-N 2 0 357.542 3.134 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000178973651 496633462 /nfs/dbraw/zinc/63/34/62/496633462.db2.gz TXZXNYIQKCXGFT-OAHLLOKOSA-N 2 0 374.447 3.152 10 0 FGAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247536631 496882925 /nfs/dbraw/zinc/88/29/25/496882925.db2.gz QCXQKEQVPVLKSQ-OPYAIIAOSA-N 2 0 370.541 3.090 10 0 FGAERP COc1ccc(C[C@@H](C)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1F ZINC000248877745 497123816 /nfs/dbraw/zinc/12/38/16/497123816.db2.gz NCCQCLQPXXZSDZ-SJORKVTESA-N 2 0 366.521 3.038 10 0 FGAERP CCOc1c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C)nn1CC(C)C ZINC000261771499 497447786 /nfs/dbraw/zinc/44/77/86/497447786.db2.gz SFXDMDHXNAGANV-CTNGQTDRSA-N 2 0 370.541 3.421 10 0 FGAERP FC(F)(F)COCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261947777 497481375 /nfs/dbraw/zinc/48/13/75/497481375.db2.gz NUAWRJCQBUKTEX-KZNAEPCWSA-N 2 0 372.431 3.012 10 0 FGAERP C[C@@H](C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000261954068 497482192 /nfs/dbraw/zinc/48/21/92/497482192.db2.gz OJYNMXKCWGRUHF-LPHOPBHVSA-N 2 0 356.489 3.307 10 0 FGAERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)cc2)C1 ZINC000262046046 497499187 /nfs/dbraw/zinc/49/91/87/497499187.db2.gz ZBIFZEOTLJMQRS-MSYGRNIXSA-N 2 0 371.569 3.165 10 0 FGAERP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1C ZINC000246071139 497610803 /nfs/dbraw/zinc/61/08/03/497610803.db2.gz BVUUOSPPTZEYLT-VQTJNVASSA-N 2 0 369.509 3.181 10 0 FGAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000246525674 497763974 /nfs/dbraw/zinc/76/39/74/497763974.db2.gz JGJJOZIGLKQEQO-OAHAVBBTSA-N 2 0 364.578 3.057 10 0 FGAERP CCCCOC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000311953265 498755875 /nfs/dbraw/zinc/75/58/75/498755875.db2.gz LYFYFQQXIBDKPT-OAQYLSRUSA-N 2 0 360.542 3.152 10 0 FGAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000112918473 495257079 /nfs/dbraw/zinc/25/70/79/495257079.db2.gz OYCOYLDKCAJUHU-NRFANRHFSA-N 2 0 359.558 3.130 10 0 FGAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106427595 495455670 /nfs/dbraw/zinc/45/56/70/495455670.db2.gz XSMQWLRXVQCNBR-QFIPXVFZSA-N 2 0 367.537 3.318 10 0 FGAERP CC[NH+]1CCN(CCC[NH2+]C2c3ccccc3CCc3ccccc32)CC1 ZINC000180109586 495861113 /nfs/dbraw/zinc/86/11/13/495861113.db2.gz JODHOJBFDJFUNF-UHFFFAOYSA-N 2 0 363.549 3.492 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C12CCOCC2 ZINC000186295801 495932239 /nfs/dbraw/zinc/93/22/39/495932239.db2.gz DLMKKXADHUQMAY-VQTJNVASSA-N 2 0 350.547 3.205 10 0 FGAERP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C12CCOCC2 ZINC000186295816 495932664 /nfs/dbraw/zinc/93/26/64/495932664.db2.gz DLMKKXADHUQMAY-PMACEKPBSA-N 2 0 350.547 3.205 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)[C@@H]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000171649200 495968352 /nfs/dbraw/zinc/96/83/52/495968352.db2.gz UVQXICNRTTZDOE-YTQUADARSA-N 2 0 358.530 3.161 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)C3CCC(C)CC3)C2)[nH+]1 ZINC000171651763 495970528 /nfs/dbraw/zinc/97/05/28/495970528.db2.gz HODPEKJYNNEUJW-AVAKVYKDSA-N 2 0 358.530 3.161 10 0 FGAERP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)C12CCOCC2 ZINC000186376228 495972417 /nfs/dbraw/zinc/97/24/17/495972417.db2.gz UFRMUOZDMKMGJY-PMACEKPBSA-N 2 0 352.563 3.308 10 0 FGAERP CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000175773986 496539408 /nfs/dbraw/zinc/53/94/08/496539408.db2.gz ACZAZBVGDRBDDV-SFHVURJKSA-N 2 0 360.546 3.023 10 0 FGAERP Cc1nccn1C[C@@H]1CCCN1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000175783320 496543481 /nfs/dbraw/zinc/54/34/81/496543481.db2.gz DABZTJFTRXYDBS-IBGZPJMESA-N 2 0 361.534 3.020 10 0 FGAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247530350 496882086 /nfs/dbraw/zinc/88/20/86/496882086.db2.gz ZTGZRMSTDZBQIA-YLJYHZDGSA-N 2 0 360.546 3.055 10 0 FGAERP C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393810 496992776 /nfs/dbraw/zinc/99/27/76/496992776.db2.gz FCRYZILHEAJMTG-HFSMHLIXSA-N 2 0 372.557 3.242 10 0 FGAERP CCN(C)c1ccc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000261913294 497474998 /nfs/dbraw/zinc/47/49/98/497474998.db2.gz JOQFFBHQJMWJGO-HXUWFJFHSA-N 2 0 353.514 3.077 10 0 FGAERP CCOCC[N@@H+]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000245726416 497518167 /nfs/dbraw/zinc/51/81/67/497518167.db2.gz IWJGMMRFUUQEGA-HXUWFJFHSA-N 2 0 361.574 3.187 10 0 FGAERP CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262280794 497534576 /nfs/dbraw/zinc/53/45/76/497534576.db2.gz KWENAYCOLNATEX-SIXWZSSISA-N 2 0 365.468 3.078 10 0 FGAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262313874 497538363 /nfs/dbraw/zinc/53/83/63/497538363.db2.gz TZXOAXUHGOCJDM-IIMDRIAPSA-N 2 0 357.542 3.298 10 0 FGAERP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246143764 497635818 /nfs/dbraw/zinc/63/58/18/497635818.db2.gz ODVZHDVKYCHVER-GBESFXJTSA-N 2 0 358.530 3.303 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)N3CCc4ccccc43)C2)[nH+]1 ZINC000246174769 497647202 /nfs/dbraw/zinc/64/72/02/497647202.db2.gz TZZDBOXCZAPZPT-QZTJIDSGSA-N 2 0 364.493 3.102 10 0 FGAERP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188669577 712774639 /nfs/dbraw/zinc/77/46/39/712774639.db2.gz HOAXZOOSIQBXAG-ROUUACIJSA-N 2 0 353.551 3.486 10 0 FGAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000078986128 494388984 /nfs/dbraw/zinc/38/89/84/494388984.db2.gz ZXMZHQYEBAYHBO-FQEVSTJZSA-N 2 0 360.546 3.058 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(-c3cccnc3)c2)CC1 ZINC000121106385 494598878 /nfs/dbraw/zinc/59/88/78/494598878.db2.gz GFQVXKZCKZUSSD-SFHVURJKSA-N 2 0 353.510 3.273 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000121142439 494615929 /nfs/dbraw/zinc/61/59/29/494615929.db2.gz RMELTHZKBMRPFM-CQSZACIVSA-N 2 0 360.420 3.110 10 0 FGAERP COc1cc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc(OC)c1OC ZINC000092813324 494761278 /nfs/dbraw/zinc/76/12/78/494761278.db2.gz CEEDKNPNBMAVFN-MRXNPFEDSA-N 2 0 371.481 3.350 10 0 FGAERP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(-c3cccnc3)c2)ncn1 ZINC000132299838 494853384 /nfs/dbraw/zinc/85/33/84/494853384.db2.gz UOBMBVCKBAHBDY-FQEVSTJZSA-N 2 0 374.492 3.339 10 0 FGAERP Cc1nc(CN(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)oc1C ZINC000106126948 495416810 /nfs/dbraw/zinc/41/68/10/495416810.db2.gz BBPLWUOKFKSPTI-FQEVSTJZSA-N 2 0 357.498 3.169 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000106124347 495417694 /nfs/dbraw/zinc/41/76/94/495417694.db2.gz VEPUWFVGAZECOA-HNNXBMFYSA-N 2 0 374.447 3.152 10 0 FGAERP CCC[C@@H](C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1)[NH+](C)C ZINC000137053406 495420765 /nfs/dbraw/zinc/42/07/65/495420765.db2.gz IWVKDBAIKGELRF-RBUKOAKNSA-N 2 0 361.530 3.069 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N3CCc4ccccc43)C2)[nH+]1 ZINC000171652429 495971936 /nfs/dbraw/zinc/97/19/36/495971936.db2.gz TZZDBOXCZAPZPT-ROUUACIJSA-N 2 0 364.493 3.102 10 0 FGAERP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3[NH2+]CCc4ccccc43)cc21 ZINC000169237118 496715721 /nfs/dbraw/zinc/71/57/21/496715721.db2.gz MZZBOYRQTAHFKT-NRFANRHFSA-N 2 0 362.477 3.028 10 0 FGAERP Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1Oc1ccncc1 ZINC000246976510 496740400 /nfs/dbraw/zinc/74/04/00/496740400.db2.gz ZXNMAKZODNAPLI-SJLPKXTDSA-N 2 0 351.450 3.491 10 0 FGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cccc(O)c1 ZINC000194886025 496748252 /nfs/dbraw/zinc/74/82/52/496748252.db2.gz YFCQWVTYVINURG-VGSWGCGISA-N 2 0 354.494 3.488 10 0 FGAERP [NH3+][C@@H]1CCC[C@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000237896737 497310144 /nfs/dbraw/zinc/31/01/44/497310144.db2.gz ISXWKEQNHYGYAC-FCHUYYIVSA-N 2 0 371.569 3.355 10 0 FGAERP O[C@@H](CN[C@H]1CCCOc2ccc(F)cc21)C[N@@H+]1CCc2ccccc2C1 ZINC000253358997 497327954 /nfs/dbraw/zinc/32/79/54/497327954.db2.gz ZQJHMHSNMJXYOW-FPOVZHCZSA-N 2 0 370.468 3.048 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCc3ccccc3C)C2)[nH+]1 ZINC000246143797 497636147 /nfs/dbraw/zinc/63/61/47/497636147.db2.gz ODZCOVNWMZDVQL-OALUTQOASA-N 2 0 366.509 3.137 10 0 FGAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000246640979 497792993 /nfs/dbraw/zinc/79/29/93/497792993.db2.gz JOJUHOHFECDMAN-AZUAARDMSA-N 2 0 364.578 3.013 10 0 FGAERP CC(C)(C)CCCCCC(=O)OC[C@H](O)C[NH2+]Cc1cccc(C[NH3+])c1 ZINC000038656297 494115710 /nfs/dbraw/zinc/11/57/10/494115710.db2.gz KCKMOSLSORKFQG-LJQANCHMSA-N 2 0 364.530 3.136 10 0 FGAERP COc1cc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc2c1OCCO2 ZINC000092813133 494758950 /nfs/dbraw/zinc/75/89/50/494758950.db2.gz GJBFQSMBBQMNGZ-INIZCTEOSA-N 2 0 369.465 3.104 10 0 FGAERP CCOCC[N@@H+]1CCN(CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000120889211 495478571 /nfs/dbraw/zinc/47/85/71/495478571.db2.gz IWJGMMRFUUQEGA-FQEVSTJZSA-N 2 0 361.574 3.187 10 0 FGAERP C[N@@H+](Cc1ccc(CO)cc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000182752729 495689294 /nfs/dbraw/zinc/68/92/94/495689294.db2.gz KFIJFCAILLLLOY-QHCPKHFHSA-N 2 0 368.521 3.056 10 0 FGAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000177389349 496042569 /nfs/dbraw/zinc/04/25/69/496042569.db2.gz MBYAWMAKJRYSIW-NRFANRHFSA-N 2 0 372.557 3.085 10 0 FGAERP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000163814891 496560400 /nfs/dbraw/zinc/56/04/00/496560400.db2.gz CJCXXXPRTXCALA-ICSRJNTNSA-N 2 0 351.494 3.002 10 0 FGAERP Cc1nccn1CCCCNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173422648 496686188 /nfs/dbraw/zinc/68/61/88/496686188.db2.gz JDJMVVASJGLLEY-MRXNPFEDSA-N 2 0 366.469 3.218 10 0 FGAERP COc1ccc(C[C@H](C)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000185247110 496717078 /nfs/dbraw/zinc/71/70/78/496717078.db2.gz NCCQCLQPXXZSDZ-DLBZAZTESA-N 2 0 366.521 3.038 10 0 FGAERP COc1cc2c(c(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)c1)O[C@@H](C)C2 ZINC000261704746 497437595 /nfs/dbraw/zinc/43/75/95/497437595.db2.gz JNBYBEOKUUCWLC-DLVCFXQMSA-N 2 0 352.478 3.193 10 0 FGAERP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C1 ZINC000261928218 497477640 /nfs/dbraw/zinc/47/76/40/497477640.db2.gz LKIZEVFTPHSIIV-HWHRFOGPSA-N 2 0 371.569 3.165 10 0 FGAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000262028104 497495481 /nfs/dbraw/zinc/49/54/81/497495481.db2.gz WWCQHMCGQXQCRH-DAXOMENPSA-N 2 0 350.388 3.265 10 0 FGAERP Cc1cccc2c(NCCN3CCN(C(=O)C4CCCC4)CC3)cc[nH+]c12 ZINC000301641780 498202535 /nfs/dbraw/zinc/20/25/35/498202535.db2.gz BLRCSOQYIJMWBD-UHFFFAOYSA-N 2 0 366.509 3.290 10 0 FGAERP c1[nH]nc2c1cccc2C[N@H+]1CCC[C@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000583623791 506882208 /nfs/dbraw/zinc/88/22/08/506882208.db2.gz KVLHPSSLOZKXTF-SFHVURJKSA-N 2 0 364.497 3.261 10 0 FGAERP CCCC[NH+]1CCC([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130043188 700795432 /nfs/dbraw/zinc/79/54/32/700795432.db2.gz XEQJENQEJXGMPQ-QGZVFWFLSA-N 2 0 353.551 3.488 10 0 FGAERP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188653675 712774682 /nfs/dbraw/zinc/77/46/82/712774682.db2.gz MCRIBBQTJBSECV-OKZBNKHCSA-N 2 0 353.551 3.486 10 0 FGAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000301314315 713781846 /nfs/dbraw/zinc/78/18/46/713781846.db2.gz GPWYCCFVKRCHSN-SQNIBIBYSA-N 2 0 353.551 3.344 10 0 FGAERP Cc1ccccc1[C@H](CNc1nc(-c2cccnc2)nc2c1C[NH2+]C2)[NH+](C)C ZINC000072133660 494130890 /nfs/dbraw/zinc/13/08/90/494130890.db2.gz UKHYPMSXVQHKSE-FQEVSTJZSA-N 2 0 374.492 3.165 10 0 FGAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000079198170 494418130 /nfs/dbraw/zinc/41/81/30/494418130.db2.gz ZMIDLMIENJEQDC-FQEVSTJZSA-N 2 0 360.546 3.058 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000121145014 494615630 /nfs/dbraw/zinc/61/56/30/494615630.db2.gz BNBDYDCFQZDTSC-AWEZNQCLSA-N 2 0 360.420 3.110 10 0 FGAERP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000113513779 495307987 /nfs/dbraw/zinc/30/79/87/495307987.db2.gz VRGQJYFJWGBXKZ-KNQAVFIVSA-N 2 0 368.521 3.037 10 0 FGAERP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)COCc3ccccc3)C2)CC1 ZINC000114562694 495392099 /nfs/dbraw/zinc/39/20/99/495392099.db2.gz BEFJWMGUVIKZDB-FGZHOGPDSA-N 2 0 360.542 3.008 10 0 FGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCC5(CC4)OCCO5)[C@@H]3C2)cc1 ZINC000180158405 495885284 /nfs/dbraw/zinc/88/52/84/495885284.db2.gz YQHKTOFTSLPOTN-TYPHKJRUSA-N 2 0 356.510 3.172 10 0 FGAERP CCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000166243139 496680749 /nfs/dbraw/zinc/68/07/49/496680749.db2.gz LXVLQQLKARUYLU-HZPDHXFCSA-N 2 0 359.436 3.332 10 0 FGAERP CCC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000158461476 496706877 /nfs/dbraw/zinc/70/68/77/496706877.db2.gz AZVNXLOOOKFYEX-DLBZAZTESA-N 2 0 371.447 3.126 10 0 FGAERP CCc1nccn1[C@H]1CCC[N@@H+]([C@H]2CCCN(c3cccc(F)c3)C2=O)C1 ZINC000246976032 496740031 /nfs/dbraw/zinc/74/00/31/496740031.db2.gz ZVKADZNWKUFTME-OALUTQOASA-N 2 0 370.472 3.417 10 0 FGAERP CCN1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000247053062 496764248 /nfs/dbraw/zinc/76/42/48/496764248.db2.gz NIVNCFLPXBZBNA-UKRRQHHQSA-N 2 0 373.419 3.376 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)C2)[nH+]1 ZINC000247310532 496831357 /nfs/dbraw/zinc/83/13/57/496831357.db2.gz HCRLTNMBHIMQJL-OKYOBFRVSA-N 2 0 358.530 3.302 10 0 FGAERP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1c1ccco1 ZINC000247557714 496888734 /nfs/dbraw/zinc/88/87/34/496888734.db2.gz UIUXHADFJWRBCD-RLLQIKCJSA-N 2 0 367.493 3.196 10 0 FGAERP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]1c1ccco1 ZINC000247557704 496888826 /nfs/dbraw/zinc/88/88/26/496888826.db2.gz UIUXHADFJWRBCD-HOJAQTOUSA-N 2 0 367.493 3.196 10 0 FGAERP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C1 ZINC000261928220 497477151 /nfs/dbraw/zinc/47/71/51/497477151.db2.gz LKIZEVFTPHSIIV-MSYGRNIXSA-N 2 0 371.569 3.165 10 0 FGAERP O[C@@]12CCCC[C@@H]1C[NH+](CCCC[N@@H+]1CC[C@@]3(O)CCCC[C@@H]3C1)CC2 ZINC000246940581 497821327 /nfs/dbraw/zinc/82/13/27/497821327.db2.gz NOOJQOFXODYPRF-YSFYHYPLSA-N 2 0 364.574 3.021 10 0 FGAERP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905540 498763203 /nfs/dbraw/zinc/76/32/03/498763203.db2.gz JYSDHSMORICZEZ-LEWJYISDSA-N 2 0 372.509 3.049 10 0 FGAERP CC[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cc(Br)ccc1O ZINC000155278040 705070532 /nfs/dbraw/zinc/07/05/32/705070532.db2.gz XVDAVFGAEWEYIS-GDBMZVCRSA-N 2 0 371.319 3.042 10 0 FGAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000715575276 722415921 /nfs/dbraw/zinc/41/59/21/722415921.db2.gz XMJWZKBYXIFGQY-RIGHFQGKSA-N 2 0 353.551 3.484 10 0 FGAERP O=C(OCC[NH+]1CCCCC1)[C@H](OCC[NH+]1CCCCC1)c1ccccc1 ZINC000016892132 210234870 /nfs/dbraw/zinc/23/48/70/210234870.db2.gz QDUYACONTSLLLU-OAQYLSRUSA-N 2 0 374.525 3.259 10 0 FGAERP C(=C/c1ccc(C2=[NH+]CCN2)cc1)\c1cc2cc(C3=[NH+]CCN3)ccc2o1 ZINC000003630703 210228349 /nfs/dbraw/zinc/22/83/49/210228349.db2.gz JTSGSXZARCBENN-XVNBXDOJSA-N 2 0 356.429 3.303 10 0 FGAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000045185986 494404312 /nfs/dbraw/zinc/40/43/12/494404312.db2.gz WHCYSPDSDJIFPW-QUCCMNQESA-N 2 0 360.546 3.101 10 0 FGAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000079198175 494418120 /nfs/dbraw/zinc/41/81/20/494418120.db2.gz ZMIDLMIENJEQDC-HXUWFJFHSA-N 2 0 360.546 3.058 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCSCc2ccccc2)CC1 ZINC000131833754 494747743 /nfs/dbraw/zinc/74/77/43/494747743.db2.gz AKJDCKQREYONFQ-GOSISDBHSA-N 2 0 350.572 3.335 10 0 FGAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000116561161 494816337 /nfs/dbraw/zinc/81/63/37/494816337.db2.gz QDSBSUKVRMZEAG-GHTZIAJQSA-N 2 0 370.541 3.092 10 0 FGAERP CC(C)n1ccnc1CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127117 495416736 /nfs/dbraw/zinc/41/67/36/495416736.db2.gz IMYAXOSXGCNMGP-OAQYLSRUSA-N 2 0 370.541 3.341 10 0 FGAERP C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182378431 495539543 /nfs/dbraw/zinc/53/95/43/495539543.db2.gz FCRYZILHEAJMTG-DSKINZAPSA-N 2 0 372.557 3.242 10 0 FGAERP Cc1c(OCCC[NH+]2CCCCC2)cc(Cl)cc1N1CC[NH2+]CC1 ZINC000149747418 495598882 /nfs/dbraw/zinc/59/88/82/495598882.db2.gz QZGJRDFHUSXJMZ-UHFFFAOYSA-N 2 0 351.922 3.313 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C12CCOCC2 ZINC000186215886 495899175 /nfs/dbraw/zinc/89/91/75/495899175.db2.gz LUQYFLNIHAVEFE-LEWJYISDSA-N 2 0 358.526 3.346 10 0 FGAERP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)C12CCOCC2 ZINC000186225838 495904143 /nfs/dbraw/zinc/90/41/43/495904143.db2.gz WUFCPOSQSWCNGF-SFTDATJTSA-N 2 0 358.526 3.346 10 0 FGAERP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CCC(C)C)CC2)C12CCOCC2 ZINC000186376260 495973145 /nfs/dbraw/zinc/97/31/45/495973145.db2.gz UFRMUOZDMKMGJY-UXHICEINSA-N 2 0 352.563 3.308 10 0 FGAERP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171871243 496070665 /nfs/dbraw/zinc/07/06/65/496070665.db2.gz HRQQDPCMNJVYDK-OAQYLSRUSA-N 2 0 370.541 3.052 10 0 FGAERP O=C(CN1CC[C@H](CNc2ccccn2)C1)Nc1nc2ccccc2s1 ZINC000171922945 496093358 /nfs/dbraw/zinc/09/33/58/496093358.db2.gz BLDOQIKKKQHVGG-CQSZACIVSA-N 2 0 367.478 3.064 10 0 FGAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000246969137 496738686 /nfs/dbraw/zinc/73/86/86/496738686.db2.gz FZMAZEFMJODKDK-OPYAIIAOSA-N 2 0 372.557 3.240 10 0 FGAERP CC(C)(C)OC(=O)NCCC[NH+]1CCC(C[NH3+])(Cc2ccccc2)CC1 ZINC000219254242 497008479 /nfs/dbraw/zinc/00/84/79/497008479.db2.gz BNLZZZQGVFBTEI-UHFFFAOYSA-N 2 0 361.530 3.185 10 0 FGAERP [NH3+][C@H](CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000237859392 497303513 /nfs/dbraw/zinc/30/35/13/497303513.db2.gz NRRXITYCPXHXRA-NHCUHLMSSA-N 2 0 351.494 3.247 10 0 FGAERP [NH3+]C[C@@H]1CN(Cc2cc(O)ccc2Br)C[C@H]1c1ccccc1 ZINC000261775533 497447978 /nfs/dbraw/zinc/44/79/78/497447978.db2.gz SQMLDEMHADOQBY-WBVHZDCISA-N 2 0 361.283 3.329 10 0 FGAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000194331481 497637328 /nfs/dbraw/zinc/63/73/28/497637328.db2.gz NFTRWKRDJZCFDG-QGZVFWFLSA-N 2 0 362.518 3.013 10 0 FGAERP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000246171997 497646677 /nfs/dbraw/zinc/64/66/77/497646677.db2.gz SLCANKPSBWDWPW-IRXDYDNUSA-N 2 0 368.481 3.241 10 0 FGAERP CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2Cl)C1 ZINC000246224479 497667643 /nfs/dbraw/zinc/66/76/43/497667643.db2.gz BSDRGHOTZRVRAY-JKSUJKDBSA-N 2 0 363.889 3.176 10 0 FGAERP C[C@@H](C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCCC1 ZINC000130012187 700794795 /nfs/dbraw/zinc/79/47/95/700794795.db2.gz MYZNFXRXSXVVRV-ZWKOTPCHSA-N 2 0 353.551 3.345 10 0 FGAERP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000249115494 713663778 /nfs/dbraw/zinc/66/37/78/713663778.db2.gz YLHWWRTUXNAJCK-SQNIBIBYSA-N 2 0 353.551 3.486 10 0 FGAERP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000304929882 713792285 /nfs/dbraw/zinc/79/22/85/713792285.db2.gz LHTWRJJRAJIFRD-GVDBMIGSSA-N 2 0 351.535 3.096 10 0 FGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]([NH3+])CC[C@@H]2C(F)(F)F)cc1 ZINC000886043440 739211489 /nfs/dbraw/zinc/21/14/89/739211489.db2.gz IIVCRAYIEDUZES-HZPDHXFCSA-N 2 0 357.420 3.023 10 0 FGAERP CN(c1ccccc1C[NH+]1CCC(c2cc[nH]n2)CC1)C1CC[NH+](C)CC1 ZINC000092810874 494755909 /nfs/dbraw/zinc/75/59/09/494755909.db2.gz OJGYFIHTLQDDGK-UHFFFAOYSA-N 2 0 367.541 3.320 10 0 FGAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116532616 494809847 /nfs/dbraw/zinc/80/98/47/494809847.db2.gz FRHCQODQYHWBBI-WIYYLYMNSA-N 2 0 374.573 3.488 10 0 FGAERP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000111843966 495119668 /nfs/dbraw/zinc/11/96/68/495119668.db2.gz CRJJLQKOLZXDDV-OAQYLSRUSA-N 2 0 372.557 3.213 10 0 FGAERP CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000123416514 495129534 /nfs/dbraw/zinc/12/95/34/495129534.db2.gz HMFJQQLSRDQJGV-NRFANRHFSA-N 2 0 358.574 3.133 10 0 FGAERP CCC[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)[NH+](C)C ZINC000136397861 495377637 /nfs/dbraw/zinc/37/76/37/495377637.db2.gz VBSFCHDZNMVPCA-LJQANCHMSA-N 2 0 374.529 3.170 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000176176507 495532213 /nfs/dbraw/zinc/53/22/13/495532213.db2.gz RZOYUHIZHKIQQG-OAQYLSRUSA-N 2 0 372.557 3.298 10 0 FGAERP C[NH+]1CCN(c2cc[nH+]c3ccc(-c4ccc5oc(N)nc5c4)cc32)CC1 ZINC000146851202 495570002 /nfs/dbraw/zinc/57/00/02/495570002.db2.gz FFKJOVARIRXUNG-UHFFFAOYSA-N 2 0 359.433 3.377 10 0 FGAERP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179516009 495624963 /nfs/dbraw/zinc/62/49/63/495624963.db2.gz BPBZUAYQHKAPPN-QGZVFWFLSA-N 2 0 370.541 3.014 10 0 FGAERP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1F ZINC000150914667 495679154 /nfs/dbraw/zinc/67/91/54/495679154.db2.gz FHMBPZQJVMIHSJ-INIZCTEOSA-N 2 0 357.429 3.250 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175191604 496285927 /nfs/dbraw/zinc/28/59/27/496285927.db2.gz NNQHGCDDKIZOHO-OAHLLOKOSA-N 2 0 361.461 3.005 10 0 FGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cccc(CO)c1 ZINC000179122651 496682319 /nfs/dbraw/zinc/68/23/19/496682319.db2.gz NJRHFRKFCUWTDT-JPYJTQIMSA-N 2 0 368.521 3.275 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C12CCOCC2 ZINC000249054495 497156146 /nfs/dbraw/zinc/15/61/46/497156146.db2.gz XJWOIIRLVHRXER-IZBJGVDFSA-N 2 0 350.547 3.203 10 0 FGAERP CCN1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000250672952 497268790 /nfs/dbraw/zinc/26/87/90/497268790.db2.gz YWHIDYSZQDUKMT-CZUORRHYSA-N 2 0 368.319 3.240 10 0 FGAERP [NH3+][C@H]1CCC[C@H](C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000238040829 497331531 /nfs/dbraw/zinc/33/15/31/497331531.db2.gz ISXWKEQNHYGYAC-VXKWHMMOSA-N 2 0 371.569 3.355 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261983024 497487240 /nfs/dbraw/zinc/48/72/40/497487240.db2.gz RWPAWVZLZOKREN-YJSIEXFISA-N 2 0 371.569 3.308 10 0 FGAERP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262326725 497540600 /nfs/dbraw/zinc/54/06/00/497540600.db2.gz GCWKTYVEMPKXSL-WBVHZDCISA-N 2 0 371.447 3.113 10 0 FGAERP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246071122 497611415 /nfs/dbraw/zinc/61/14/15/497611415.db2.gz BVUNCVKKXRAHME-AEFFLSMTSA-N 2 0 370.472 3.002 10 0 FGAERP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000246172003 497647620 /nfs/dbraw/zinc/64/76/20/497647620.db2.gz SLCANKPSBWDWPW-SJORKVTESA-N 2 0 368.481 3.241 10 0 FGAERP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000246194473 497655691 /nfs/dbraw/zinc/65/56/91/497655691.db2.gz WTMBMMQBSNGPME-QUCCMNQESA-N 2 0 366.509 3.137 10 0 FGAERP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000246924715 497820441 /nfs/dbraw/zinc/82/04/41/497820441.db2.gz GUCHSJKRJXRDIY-RHSMWYFYSA-N 2 0 358.511 3.405 10 0 FGAERP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379667602 499542602 /nfs/dbraw/zinc/54/26/02/499542602.db2.gz BQZUIMFXALQXEE-NRFANRHFSA-N 2 0 365.521 3.233 10 0 FGAERP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784266 700505030 /nfs/dbraw/zinc/50/50/30/700505030.db2.gz LHTWRJJRAJIFRD-YESZJQIVSA-N 2 0 351.535 3.096 10 0 FGAERP CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000136956218 495412685 /nfs/dbraw/zinc/41/26/85/495412685.db2.gz FONJEOJBTIOWBD-KRWDZBQOSA-N 2 0 368.481 3.243 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCSc2ccc(Cl)cc2)CC1 ZINC000106124503 495417113 /nfs/dbraw/zinc/41/71/13/495417113.db2.gz PCVAXPQGYDSIBE-HNNXBMFYSA-N 2 0 356.963 3.457 10 0 FGAERP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000177364446 496032437 /nfs/dbraw/zinc/03/24/37/496032437.db2.gz KFMIECBZRQKNDG-MSOLQXFVSA-N 2 0 366.575 3.257 10 0 FGAERP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000156392019 496231644 /nfs/dbraw/zinc/23/16/44/496231644.db2.gz BJKDJRAXSCWHQQ-PXNSSMCTSA-N 2 0 360.546 3.056 10 0 FGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cccc(O)c1 ZINC000194886017 496748297 /nfs/dbraw/zinc/74/82/97/496748297.db2.gz YFCQWVTYVINURG-JTSKRJEESA-N 2 0 354.494 3.488 10 0 FGAERP O[C@H](COCc1ccc(Cl)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247523185 496879874 /nfs/dbraw/zinc/87/98/74/496879874.db2.gz NPCLOJLHHHQOTP-ICSRJNTNSA-N 2 0 366.933 3.025 10 0 FGAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247596767 496894540 /nfs/dbraw/zinc/89/45/40/496894540.db2.gz SNUVKBBZLGBYCA-RXVVDRJESA-N 2 0 370.541 3.051 10 0 FGAERP C[N@H+](CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000237133661 497195576 /nfs/dbraw/zinc/19/55/76/497195576.db2.gz YDGHMCSPKRRSHM-FCHUYYIVSA-N 2 0 365.521 3.275 10 0 FGAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000245461975 497419320 /nfs/dbraw/zinc/41/93/20/497419320.db2.gz GDPYLPFAOFPAJO-MJGOQNOKSA-N 2 0 360.546 3.242 10 0 FGAERP CC1(C)[C@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)[C@H]2CCCO[C@H]21 ZINC000245930468 497576666 /nfs/dbraw/zinc/57/66/66/497576666.db2.gz SIAFPOXNSCYXGP-CIAFKFPVSA-N 2 0 372.553 3.225 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NCC3CCCCC3)C2)[nH+]1 ZINC000246105415 497623183 /nfs/dbraw/zinc/62/31/83/497623183.db2.gz ILMXPEPTPZYVRA-IEBWSBKVSA-N 2 0 358.530 3.209 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000246353297 497705111 /nfs/dbraw/zinc/70/51/11/497705111.db2.gz JZDJUKODEUQHMI-HJNYFJLDSA-N 2 0 371.569 3.272 10 0 FGAERP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246792241 497811384 /nfs/dbraw/zinc/81/13/84/497811384.db2.gz CSFSWJGLULPJNC-YLJYHZDGSA-N 2 0 360.546 3.056 10 0 FGAERP C[NH+](C)Cc1cccc(C[N@@H+]2CCCC23CCN(c2ncccn2)CC3)c1 ZINC000072477159 536028274 /nfs/dbraw/zinc/02/82/74/536028274.db2.gz XGNQLKAUTINGNZ-UHFFFAOYSA-N 2 0 365.525 3.173 10 0 FGAERP CCc1ccc([C@@H]2C[C@H]3CN(C4CC[NH+](C)CC4)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000020119692 220314592 /nfs/dbraw/zinc/31/45/92/220314592.db2.gz NECQAILRCXBPAJ-RRPUWOKSSA-N 2 0 367.537 3.081 10 0 FGAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000085395623 494120430 /nfs/dbraw/zinc/12/04/30/494120430.db2.gz JCIAKLVHXXZHMZ-GIVPXCGWSA-N 2 0 372.557 3.023 10 0 FGAERP COc1ccc2cc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)ccc2c1 ZINC000121087894 494588799 /nfs/dbraw/zinc/58/87/99/494588799.db2.gz GPSQSMRNFORQHL-QGZVFWFLSA-N 2 0 356.510 3.373 10 0 FGAERP O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000121191948 494637876 /nfs/dbraw/zinc/63/78/76/494637876.db2.gz XXOWMXVAEHFHIO-FXAWDEMLSA-N 2 0 355.388 3.458 10 0 FGAERP CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000092761326 494740908 /nfs/dbraw/zinc/74/09/08/494740908.db2.gz JRPSEUQGBDEMHO-PKOBYXMFSA-N 2 0 374.529 3.108 10 0 FGAERP COc1cc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc2c1OCCO2 ZINC000092813134 494759375 /nfs/dbraw/zinc/75/93/75/494759375.db2.gz GJBFQSMBBQMNGZ-MRXNPFEDSA-N 2 0 369.465 3.104 10 0 FGAERP COc1ccccc1C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC000133144796 494976387 /nfs/dbraw/zinc/97/63/87/494976387.db2.gz PRXJWZSYSAJYHF-WIYYLYMNSA-N 2 0 360.542 3.353 10 0 FGAERP CCC(CC)(CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000113626558 495322764 /nfs/dbraw/zinc/32/27/64/495322764.db2.gz MXBSEGIMCMDRDT-HKUYNNGSSA-N 2 0 360.546 3.242 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCSc2ccc(Cl)cc2)CC1 ZINC000106124507 495417081 /nfs/dbraw/zinc/41/70/81/495417081.db2.gz PCVAXPQGYDSIBE-OAHLLOKOSA-N 2 0 356.963 3.457 10 0 FGAERP Cc1cc(C)n(-c2ccc(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc2)n1 ZINC000106124872 495417667 /nfs/dbraw/zinc/41/76/67/495417667.db2.gz PZWKTOKHUXOEKT-IBGZPJMESA-N 2 0 370.541 3.014 10 0 FGAERP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000173458364 495538696 /nfs/dbraw/zinc/53/86/96/495538696.db2.gz ZPNAOKPIZGJJKY-SOLBZPMBSA-N 2 0 355.486 3.057 10 0 FGAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170829392 495617934 /nfs/dbraw/zinc/61/79/34/495617934.db2.gz GCYYPHCXKNLIEP-OPYAIIAOSA-N 2 0 372.557 3.010 10 0 FGAERP C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000170832995 495619383 /nfs/dbraw/zinc/61/93/83/495619383.db2.gz DBQUSGABLABURU-OAQYLSRUSA-N 2 0 372.557 3.297 10 0 FGAERP C[NH+](C)[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000170832997 495619533 /nfs/dbraw/zinc/61/95/33/495619533.db2.gz DBQUSGABLABURU-NRFANRHFSA-N 2 0 372.557 3.297 10 0 FGAERP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1Br ZINC000179515647 495623193 /nfs/dbraw/zinc/62/31/93/495623193.db2.gz CEGOPHFAWACNDC-OAHLLOKOSA-N 2 0 369.347 3.282 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C12CCOCC2 ZINC000186371589 495969564 /nfs/dbraw/zinc/96/95/64/495969564.db2.gz PQXQLHPWZAWYBI-VQTJNVASSA-N 2 0 350.547 3.347 10 0 FGAERP CCN(C(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C1CCCCC1 ZINC000171651532 495970935 /nfs/dbraw/zinc/97/09/35/495970935.db2.gz ASMRFAWUKIZKKV-GOSISDBHSA-N 2 0 358.530 3.305 10 0 FGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000171900367 496083751 /nfs/dbraw/zinc/08/37/51/496083751.db2.gz KXSVCINRAAMQDH-WIYYLYMNSA-N 2 0 370.541 3.051 10 0 FGAERP c1cc(C2CC[NH+](CCCCC[NH+]3CCC(c4cc[nH]n4)CC3)CC2)n[nH]1 ZINC000172653433 496376286 /nfs/dbraw/zinc/37/62/86/496376286.db2.gz FTQKBHOXSARMLT-UHFFFAOYSA-N 2 0 370.545 3.362 10 0 FGAERP CCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000166242898 496680499 /nfs/dbraw/zinc/68/04/99/496680499.db2.gz LXVLQQLKARUYLU-CVEARBPZSA-N 2 0 359.436 3.332 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000176152991 496705715 /nfs/dbraw/zinc/70/57/15/496705715.db2.gz TYKDTKVHDYRGQX-SJORKVTESA-N 2 0 364.559 3.011 10 0 FGAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000247109488 496781369 /nfs/dbraw/zinc/78/13/69/496781369.db2.gz DUHIZKMYOWPACI-LEWJYISDSA-N 2 0 372.557 3.024 10 0 FGAERP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+](CC)C1 ZINC000245683796 497500806 /nfs/dbraw/zinc/50/08/06/497500806.db2.gz GTAKJBQWPREXRZ-SFTDATJTSA-N 2 0 372.557 3.024 10 0 FGAERP CC[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cc(Br)ccc1O ZINC000155277830 705070470 /nfs/dbraw/zinc/07/04/70/705070470.db2.gz XVDAVFGAEWEYIS-GOEBONIOSA-N 2 0 371.319 3.042 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1Cl ZINC000261819551 713714952 /nfs/dbraw/zinc/71/49/52/713714952.db2.gz SNAFEUIKSYEVFO-IIDMSEBBSA-N 2 0 351.922 3.214 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000121115051 494602169 /nfs/dbraw/zinc/60/21/69/494602169.db2.gz YAIXJRINXJYNOO-CYBMUJFWSA-N 2 0 362.411 3.369 10 0 FGAERP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3cccnc3)c2)ncn1 ZINC000132299605 494852827 /nfs/dbraw/zinc/85/28/27/494852827.db2.gz UOBMBVCKBAHBDY-HXUWFJFHSA-N 2 0 374.492 3.339 10 0 FGAERP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(F)c1 ZINC000135587307 495315743 /nfs/dbraw/zinc/31/57/43/495315743.db2.gz WYJFSTLQRJTCBR-HNNXBMFYSA-N 2 0 357.429 3.250 10 0 FGAERP Cc1cc(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)c2ccccc2n1 ZINC000124612837 495316138 /nfs/dbraw/zinc/31/61/38/495316138.db2.gz DNPMJZHXZAPCHQ-UHFFFAOYSA-N 2 0 363.509 3.336 10 0 FGAERP C[N@H+](C[C@H](O)c1ccccc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127787 495418730 /nfs/dbraw/zinc/41/87/30/495418730.db2.gz SGDYDZMFJGKGGM-GOTSBHOMSA-N 2 0 368.521 3.097 10 0 FGAERP CCC[C@@H](C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)[NH+](C)C ZINC000158980082 495628972 /nfs/dbraw/zinc/62/89/72/495628972.db2.gz UXSKZXNTHWBVLT-PMACEKPBSA-N 2 0 361.530 3.069 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc(F)cc4c3OCOC4)C2)[nH+]1 ZINC000171650853 495970202 /nfs/dbraw/zinc/97/02/02/495970202.db2.gz ONGBHRPJVJXEBK-HNNXBMFYSA-N 2 0 357.429 3.330 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000177518445 496094636 /nfs/dbraw/zinc/09/46/36/496094636.db2.gz SMJOBKHOFCYUEM-GHTZIAJQSA-N 2 0 372.557 3.338 10 0 FGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccc(CO)c1 ZINC000179122663 496682510 /nfs/dbraw/zinc/68/25/10/496682510.db2.gz NJRHFRKFCUWTDT-FDDCHVKYSA-N 2 0 368.521 3.275 10 0 FGAERP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3[NH2+]CCc4ccccc43)cc21 ZINC000169237202 496715881 /nfs/dbraw/zinc/71/58/81/496715881.db2.gz MZZBOYRQTAHFKT-OAQYLSRUSA-N 2 0 362.477 3.028 10 0 FGAERP CCO[C@@H]1C[C@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCC2 ZINC000191577173 496819541 /nfs/dbraw/zinc/81/95/41/496819541.db2.gz CIFAMLAGEFXWEA-VQTJNVASSA-N 2 0 351.579 3.072 10 0 FGAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000247530341 496882200 /nfs/dbraw/zinc/88/22/00/496882200.db2.gz ZTGZRMSTDZBQIA-FXAWDEMLSA-N 2 0 360.546 3.055 10 0 FGAERP C[N@@H+](Cc1ccc(F)nc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000189339255 497087370 /nfs/dbraw/zinc/08/73/70/497087370.db2.gz BRBWCIQBSKSYAI-FQEVSTJZSA-N 2 0 357.473 3.098 10 0 FGAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000249513067 497215561 /nfs/dbraw/zinc/21/55/61/497215561.db2.gz WHCYSPDSDJIFPW-UYAOXDASSA-N 2 0 360.546 3.101 10 0 FGAERP [NH3+][C@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000237857952 497304175 /nfs/dbraw/zinc/30/41/75/497304175.db2.gz NRRXITYCPXHXRA-LEWJYISDSA-N 2 0 351.494 3.247 10 0 FGAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000237886757 497308444 /nfs/dbraw/zinc/30/84/44/497308444.db2.gz RAJWMIZNKBARCT-VTHDOGFWSA-N 2 0 355.526 3.078 10 0 FGAERP C[C@@H](C(=O)N1CCCc2ccccc21)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261696640 497434683 /nfs/dbraw/zinc/43/46/83/497434683.db2.gz JJZHGCYTWDVUKA-WMQCIHAUSA-N 2 0 363.505 3.029 10 0 FGAERP [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccc(Cl)cc3Br)C[C@@H]12 ZINC000261717232 497437773 /nfs/dbraw/zinc/43/77/73/497437773.db2.gz JXHBESZYXOHJTM-MPKXVKKWSA-N 2 0 359.695 3.150 10 0 FGAERP [NH3+]C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1c1ccccc1 ZINC000261794044 497451882 /nfs/dbraw/zinc/45/18/82/497451882.db2.gz VFFJGSHDNYSTJG-NQIIRXRSSA-N 2 0 350.441 3.186 10 0 FGAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262313876 497538419 /nfs/dbraw/zinc/53/84/19/497538419.db2.gz TZXOAXUHGOCJDM-NYUBLWNDSA-N 2 0 357.542 3.298 10 0 FGAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000246349291 497703561 /nfs/dbraw/zinc/70/35/61/497703561.db2.gz PFICSAAQNBGDGR-SFTDATJTSA-N 2 0 370.541 3.051 10 0 FGAERP Cc1cccc(NC[C@@H]2CCN([C@H]3CCN(c4ccccc4F)C3=O)C2)[nH+]1 ZINC000246596037 497784942 /nfs/dbraw/zinc/78/49/42/497784942.db2.gz PNZLWWGMHORXGQ-LPHOPBHVSA-N 2 0 368.456 3.068 10 0 FGAERP C[NH+](C)CC1CCC([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000119925525 700643193 /nfs/dbraw/zinc/64/31/93/700643193.db2.gz UIXAKQGSCYMKNL-ADKAHSJRSA-N 2 0 353.551 3.344 10 0 FGAERP CCC[NH+]1CCC(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130087525 700795871 /nfs/dbraw/zinc/79/58/71/700795871.db2.gz FDEMLCSYZPFWCT-GOSISDBHSA-N 2 0 353.551 3.345 10 0 FGAERP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000182012626 705822492 /nfs/dbraw/zinc/82/24/92/705822492.db2.gz VXNADBSVYPCJAX-HNAYVOBHSA-N 2 0 359.901 3.410 10 0 FGAERP CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC[NH+]3CCCCC3)C[C@@H]12 ZINC000249371653 713666209 /nfs/dbraw/zinc/66/62/09/713666209.db2.gz NLLUYCOMMIWIPV-KZNAEPCWSA-N 2 0 351.535 3.098 10 0 FGAERP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000700805871 722409834 /nfs/dbraw/zinc/40/98/34/722409834.db2.gz VMESJLVMJNNQJE-KSZLIROESA-N 2 0 353.551 3.344 10 0 FGAERP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000081020834 493815031 /nfs/dbraw/zinc/81/50/31/493815031.db2.gz GPAZEEIKWDHRKW-OAQYLSRUSA-N 2 0 357.542 3.278 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(-c3ccccn3)c2)CC1 ZINC000121132784 494610973 /nfs/dbraw/zinc/61/09/73/494610973.db2.gz SYIWRCOFALCXLF-GOSISDBHSA-N 2 0 353.510 3.273 10 0 FGAERP Cc1ncccc1C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000121181154 494634752 /nfs/dbraw/zinc/63/47/52/494634752.db2.gz LTFSZAHDIQHBGJ-QFIPXVFZSA-N 2 0 353.510 3.267 10 0 FGAERP Cc1cccc(Cl)c1NC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000132300576 494853130 /nfs/dbraw/zinc/85/31/30/494853130.db2.gz BDZDTGFFDPTESK-OAHLLOKOSA-N 2 0 358.873 3.416 10 0 FGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](Cn2cncn2)C1 ZINC000128578246 495118282 /nfs/dbraw/zinc/11/82/82/495118282.db2.gz HGZATUBPZUKRIR-FQEVSTJZSA-N 2 0 355.530 3.148 10 0 FGAERP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000103514609 495246029 /nfs/dbraw/zinc/24/60/29/495246029.db2.gz FUXRTLDWQCTPKZ-NRFANRHFSA-N 2 0 372.557 3.024 10 0 FGAERP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000103514611 495246065 /nfs/dbraw/zinc/24/60/65/495246065.db2.gz FUXRTLDWQCTPKZ-OAQYLSRUSA-N 2 0 372.557 3.024 10 0 FGAERP CC(=O)c1c(C)cc(C)c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000106126770 495417202 /nfs/dbraw/zinc/41/72/02/495417202.db2.gz MPJGHLBXAVPELI-QGZVFWFLSA-N 2 0 360.542 3.339 10 0 FGAERP CCC[C@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1)[NH+](C)C ZINC000137053375 495420887 /nfs/dbraw/zinc/42/08/87/495420887.db2.gz IWVKDBAIKGELRF-MOPGFXCFSA-N 2 0 361.530 3.069 10 0 FGAERP CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000177114350 495931586 /nfs/dbraw/zinc/93/15/86/495931586.db2.gz FTFWQCFJAUBSCS-ZWKOTPCHSA-N 2 0 374.529 3.108 10 0 FGAERP CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186370518 495969512 /nfs/dbraw/zinc/96/95/12/495969512.db2.gz DOKGXRZOAGOYNS-HLAWJBBLSA-N 2 0 360.542 3.461 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N3CCC[C@H]4CCCC[C@@H]43)C2)[nH+]1 ZINC000171651603 495969629 /nfs/dbraw/zinc/96/96/29/495969629.db2.gz RUJGPVUBGMWRML-ZCNNSNEGSA-N 2 0 370.541 3.305 10 0 FGAERP 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 495971843 /nfs/dbraw/zinc/97/18/43/495971843.db2.gz RSFWIVBUKLZJAK-NBMJBFSESA-N 2 0 358.530 3.017 10 0 FGAERP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177329365 496020977 /nfs/dbraw/zinc/02/09/77/496020977.db2.gz YXUBXEQMBFKBBW-FQEVSTJZSA-N 2 0 360.546 3.154 10 0 FGAERP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171905304 496085804 /nfs/dbraw/zinc/08/58/04/496085804.db2.gz CQFYIIFPHDICGN-NRFANRHFSA-N 2 0 370.541 3.052 10 0 FGAERP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171905450 496086258 /nfs/dbraw/zinc/08/62/58/496086258.db2.gz UWYQZJVQJAHMSY-OAQYLSRUSA-N 2 0 370.541 3.052 10 0 FGAERP CC1(C)[C@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000181715162 496513953 /nfs/dbraw/zinc/51/39/53/496513953.db2.gz SIAFPOXNSCYXGP-MBDNFAEBSA-N 2 0 372.553 3.225 10 0 FGAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247438260 496858696 /nfs/dbraw/zinc/85/86/96/496858696.db2.gz XLJGPETXTMXHQF-JBACZVJFSA-N 2 0 372.557 3.165 10 0 FGAERP COC(=O)c1oc([C@H](C)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1C ZINC000248649401 497071941 /nfs/dbraw/zinc/07/19/41/497071941.db2.gz KRNVVRLTLKDBIN-WMZOPIPTSA-N 2 0 371.481 3.285 10 0 FGAERP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1C ZINC000246071134 497610824 /nfs/dbraw/zinc/61/08/24/497610824.db2.gz BVUUOSPPTZEYLT-PMACEKPBSA-N 2 0 369.509 3.181 10 0 FGAERP C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246759885 497808664 /nfs/dbraw/zinc/80/86/64/497808664.db2.gz NRMOZFXBMUCEIP-CABCVRRESA-N 2 0 350.426 3.022 10 0 FGAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000130091143 700795881 /nfs/dbraw/zinc/79/58/81/700795881.db2.gz YFPAATSQLVNNHO-MSOLQXFVSA-N 2 0 353.551 3.344 10 0 FGAERP CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC[NH+]3CCCCC3)C[C@H]21 ZINC000249371655 713666193 /nfs/dbraw/zinc/66/61/93/713666193.db2.gz NLLUYCOMMIWIPV-RCCFBDPRSA-N 2 0 351.535 3.098 10 0 FGAERP COc1c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C)nn1C ZINC000093006819 494805769 /nfs/dbraw/zinc/80/57/69/494805769.db2.gz UPDSVJNIYYFSOG-UHFFFAOYSA-N 2 0 356.514 3.081 10 0 FGAERP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000118948943 495055505 /nfs/dbraw/zinc/05/55/05/495055505.db2.gz WPILNSMGLMSLHA-HXUWFJFHSA-N 2 0 360.546 3.154 10 0 FGAERP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)COCc3ccccc3)C2)CC1 ZINC000114562692 495391961 /nfs/dbraw/zinc/39/19/61/495391961.db2.gz BEFJWMGUVIKZDB-FCHUYYIVSA-N 2 0 360.542 3.008 10 0 FGAERP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000176176049 495532125 /nfs/dbraw/zinc/53/21/25/495532125.db2.gz YLTQFBQGOMQUHA-NRFANRHFSA-N 2 0 372.557 3.386 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000179515327 495623844 /nfs/dbraw/zinc/62/38/44/495623844.db2.gz CZDPGFKBGPGMSN-QGZVFWFLSA-N 2 0 371.500 3.412 10 0 FGAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000171663353 495978381 /nfs/dbraw/zinc/97/83/81/495978381.db2.gz YLZFAICSXXSOEU-JOCHJYFZSA-N 2 0 365.521 3.072 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Br)cs2)CC1 ZINC000172014271 496129434 /nfs/dbraw/zinc/12/94/34/496129434.db2.gz YYFLGUJRNOSOBH-LBPRGKRZSA-N 2 0 361.349 3.035 10 0 FGAERP Cc1cncc([C@H](C)[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000184348485 496344782 /nfs/dbraw/zinc/34/47/82/496344782.db2.gz UTXQFEPUZKTJIT-AVRDEDQJSA-N 2 0 353.510 3.486 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000164423088 496610960 /nfs/dbraw/zinc/61/09/60/496610960.db2.gz OGRQMOKTZXPQFH-HXUWFJFHSA-N 2 0 357.542 3.231 10 0 FGAERP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236913347 497167330 /nfs/dbraw/zinc/16/73/30/497167330.db2.gz JEBDVSDZDPUUCL-GVDBMIGSSA-N 2 0 355.885 3.247 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000245476859 497424116 /nfs/dbraw/zinc/42/41/16/497424116.db2.gz TYKDTKVHDYRGQX-IAGOWNOFSA-N 2 0 364.559 3.011 10 0 FGAERP CC1(C)[C@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000245930472 497576765 /nfs/dbraw/zinc/57/67/65/497576765.db2.gz SIAFPOXNSCYXGP-FNAHDJPLSA-N 2 0 372.553 3.225 10 0 FGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000262640821 497589487 /nfs/dbraw/zinc/58/94/87/497589487.db2.gz KOOISBWKLWSTEX-OEWRPIJISA-N 2 0 365.521 3.374 10 0 FGAERP CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000246109388 497625154 /nfs/dbraw/zinc/62/51/54/497625154.db2.gz JRPSEUQGBDEMHO-MJGOQNOKSA-N 2 0 374.529 3.108 10 0 FGAERP CCCCOC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000311953263 498755541 /nfs/dbraw/zinc/75/55/41/498755541.db2.gz LYFYFQQXIBDKPT-NRFANRHFSA-N 2 0 360.542 3.152 10 0 FGAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078954013 494383119 /nfs/dbraw/zinc/38/31/19/494383119.db2.gz MDPFYLAUYIFSCE-HXUWFJFHSA-N 2 0 360.546 3.058 10 0 FGAERP COc1ccc2ccccc2c1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121086179 494589239 /nfs/dbraw/zinc/58/92/39/494589239.db2.gz BAIHHVRPOIIJPW-QGZVFWFLSA-N 2 0 356.510 3.373 10 0 FGAERP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc(C)c1OC(F)F ZINC000121098605 494595465 /nfs/dbraw/zinc/59/54/65/494595465.db2.gz URGGTTZAWLFAMG-INIZCTEOSA-N 2 0 370.484 3.429 10 0 FGAERP COc1ccccc1C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C(C)C ZINC000124524267 495301942 /nfs/dbraw/zinc/30/19/42/495301942.db2.gz VZJAYEAIVNSXIN-NRFANRHFSA-N 2 0 361.574 3.126 10 0 FGAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](Cc3ccccc3)[NH+](C)C)C2)CC1 ZINC000106434984 495455163 /nfs/dbraw/zinc/45/51/63/495455163.db2.gz IUBJBXLZYBBYHN-YADHBBJMSA-N 2 0 371.569 3.130 10 0 FGAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000106455109 495456768 /nfs/dbraw/zinc/45/67/68/495456768.db2.gz QUHSHZDWFTYFQF-JOCHJYFZSA-N 2 0 365.521 3.072 10 0 FGAERP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000106917311 495511677 /nfs/dbraw/zinc/51/16/77/495511677.db2.gz JTTDAPDLOKZYIK-VXKWHMMOSA-N 2 0 371.569 3.274 10 0 FGAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000170862977 495631935 /nfs/dbraw/zinc/63/19/35/495631935.db2.gz NIBAHELHXYJVJR-CRAIPNDOSA-N 2 0 366.937 3.068 10 0 FGAERP Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000154545281 495649792 /nfs/dbraw/zinc/64/97/92/495649792.db2.gz ARXBCMZTECBNSY-OIOVQLOVSA-N 2 0 370.541 3.129 10 0 FGAERP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C12CCOCC2 ZINC000186276472 495924843 /nfs/dbraw/zinc/92/48/43/495924843.db2.gz IDNLLZAHDAETJD-VXKWHMMOSA-N 2 0 372.553 3.462 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NCc3ccccc3C)C2)[nH+]1 ZINC000171650147 495967672 /nfs/dbraw/zinc/96/76/72/495967672.db2.gz ODZCOVNWMZDVQL-RTBURBONSA-N 2 0 366.509 3.137 10 0 FGAERP CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180500481 496022485 /nfs/dbraw/zinc/02/24/85/496022485.db2.gz RLNHWHKURLALHD-FUHWJXTLSA-N 2 0 371.529 3.008 10 0 FGAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153857345 496603342 /nfs/dbraw/zinc/60/33/42/496603342.db2.gz VTLVJEQMAYQCLL-JOCHJYFZSA-N 2 0 371.569 3.274 10 0 FGAERP CCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000166242777 496680651 /nfs/dbraw/zinc/68/06/51/496680651.db2.gz LXVLQQLKARUYLU-HOTGVXAUSA-N 2 0 359.436 3.332 10 0 FGAERP Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248398682 496996193 /nfs/dbraw/zinc/99/61/93/496996193.db2.gz JDUWSTDCQXFEPZ-NCYKPQTJSA-N 2 0 365.525 3.312 10 0 FGAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 ZINC000245435671 497404683 /nfs/dbraw/zinc/40/46/83/497404683.db2.gz TWFNTHRVKCLDAJ-PXNSSMCTSA-N 2 0 374.529 3.028 10 0 FGAERP Fc1ccc(OCCN(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261802951 497454136 /nfs/dbraw/zinc/45/41/36/497454136.db2.gz RQABZXOKHPNIKR-KRWDZBQOSA-N 2 0 361.486 3.305 10 0 FGAERP CCCc1ccc(C(=O)N(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261947310 497480953 /nfs/dbraw/zinc/48/09/53/497480953.db2.gz YMZDIYVDLGKRDK-IBGZPJMESA-N 2 0 366.509 3.157 10 0 FGAERP Brc1cccc(N[C@H]2CCC[N@H+](C[C@H]3CCC[NH2+]C3)C2)c1 ZINC000262048879 497498566 /nfs/dbraw/zinc/49/85/66/497498566.db2.gz ZJZJBHIQYKLUHW-YOEHRIQHSA-N 2 0 352.320 3.325 10 0 FGAERP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246143748 497635584 /nfs/dbraw/zinc/63/55/84/497635584.db2.gz ODVZHDVKYCHVER-CEXWTWQISA-N 2 0 358.530 3.303 10 0 FGAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000246172370 497647114 /nfs/dbraw/zinc/64/71/14/497647114.db2.gz LHOYNNJSARRQEV-RTWAWAEBSA-N 2 0 372.557 3.295 10 0 FGAERP COC(=O)C1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000311494680 498751879 /nfs/dbraw/zinc/75/18/79/498751879.db2.gz CWNLFYMMUFKLEA-ZOBFTUDESA-N 2 0 356.510 3.218 10 0 FGAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000301314897 713781803 /nfs/dbraw/zinc/78/18/03/713781803.db2.gz SPBGRGFJBYSEFI-BZSNNMDCSA-N 2 0 353.551 3.342 10 0 FGAERP Nc1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N)cc4)cc3)cc2)cc1 ZINC000013837755 220097090 /nfs/dbraw/zinc/09/70/90/220097090.db2.gz OPQGTAJNHFEICI-UHFFFAOYSA-P 2 0 368.484 3.190 10 0 FGAERP O[C@@H](COc1ccccc1C[NH+]1CCCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000015073455 220145678 /nfs/dbraw/zinc/14/56/78/220145678.db2.gz WZWRIGWMUGERSX-JOCHJYFZSA-N 2 0 366.505 3.080 10 0 FGAERP CC[NH+](CC)CCN(C)c1nc(-c2ccc(Cl)cc2)nc2c1C[NH2+]C2 ZINC000072146899 494134711 /nfs/dbraw/zinc/13/47/11/494134711.db2.gz CWPPRSBTYJWPBW-UHFFFAOYSA-N 2 0 359.905 3.178 10 0 FGAERP COc1ccccc1C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC000133144614 494976492 /nfs/dbraw/zinc/97/64/92/494976492.db2.gz PRXJWZSYSAJYHF-RXVVDRJESA-N 2 0 360.542 3.353 10 0 FGAERP C[NH+](C)C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000098129829 495060769 /nfs/dbraw/zinc/06/07/69/495060769.db2.gz FJZVIFZBWFESDH-OAQYLSRUSA-N 2 0 351.494 3.315 10 0 FGAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106432343 495455508 /nfs/dbraw/zinc/45/55/08/495455508.db2.gz SQSUDICQEGFZHY-JOCHJYFZSA-N 2 0 367.537 3.316 10 0 FGAERP Cc1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)[NH+]2CCCC2)o1 ZINC000106461531 495458420 /nfs/dbraw/zinc/45/84/20/495458420.db2.gz WLRKWFSWOPOFMQ-PMACEKPBSA-N 2 0 369.509 3.014 10 0 FGAERP CC(C)n1cc(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000179518718 495626432 /nfs/dbraw/zinc/62/64/32/495626432.db2.gz OJWIKINHOHJUHK-QFIPXVFZSA-N 2 0 370.541 3.341 10 0 FGAERP Cc1ccc2[nH+]ccc(N3CCN(c4ccc(C[NH+](C)C)cn4)CC3)c2c1 ZINC000185652327 495663210 /nfs/dbraw/zinc/66/32/10/495663210.db2.gz BCNXVWUZHDVDOT-UHFFFAOYSA-N 2 0 361.493 3.326 10 0 FGAERP COC(=O)c1cc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C)s1 ZINC000150914363 495679015 /nfs/dbraw/zinc/67/90/15/495679015.db2.gz YFULPYCLPQJYFM-HNNXBMFYSA-N 2 0 359.495 3.481 10 0 FGAERP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C12CCOCC2 ZINC000186371610 495969580 /nfs/dbraw/zinc/96/95/80/495969580.db2.gz PQXQLHPWZAWYBI-PMACEKPBSA-N 2 0 350.547 3.347 10 0 FGAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000171900368 496083562 /nfs/dbraw/zinc/08/35/62/496083562.db2.gz KXSVCINRAAMQDH-GHTZIAJQSA-N 2 0 370.541 3.051 10 0 FGAERP C[NH+](C)C1CCN(CC[NH2+]C2c3ccccc3CCc3ccccc32)CC1 ZINC000180712511 496114868 /nfs/dbraw/zinc/11/48/68/496114868.db2.gz ORTZHKHZOKNKMZ-UHFFFAOYSA-N 2 0 363.549 3.490 10 0 FGAERP Cc1c(-c2cc(C[N@@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)on2)cnn1C ZINC000184567083 496442706 /nfs/dbraw/zinc/44/27/06/496442706.db2.gz BSFIARFKLSDHMG-INIZCTEOSA-N 2 0 366.469 3.021 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000178973637 496633623 /nfs/dbraw/zinc/63/36/23/496633623.db2.gz TXZXNYIQKCXGFT-HNNXBMFYSA-N 2 0 374.447 3.152 10 0 FGAERP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247065278 496768661 /nfs/dbraw/zinc/76/86/61/496768661.db2.gz OHIVSDJZZGZGJW-FUHWJXTLSA-N 2 0 372.538 3.253 10 0 FGAERP CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000247438251 496858662 /nfs/dbraw/zinc/85/86/62/496858662.db2.gz XLJGPETXTMXHQF-GIVPXCGWSA-N 2 0 372.557 3.165 10 0 FGAERP Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248398680 496995334 /nfs/dbraw/zinc/99/53/34/496995334.db2.gz JDUWSTDCQXFEPZ-BQJUDKOJSA-N 2 0 365.525 3.312 10 0 FGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCC5(CC4)OCCO5)[C@H]3C2)cc1 ZINC000248422491 497006152 /nfs/dbraw/zinc/00/61/52/497006152.db2.gz YQHKTOFTSLPOTN-SESVDKBCSA-N 2 0 356.510 3.172 10 0 FGAERP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000237984969 497323297 /nfs/dbraw/zinc/32/32/97/497323297.db2.gz NBFBMWPVYBVHPQ-WOJBJXKFSA-N 2 0 355.526 3.161 10 0 FGAERP C[C@H](C(=O)NCc1ccc(Cl)cc1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261655591 497428580 /nfs/dbraw/zinc/42/85/80/497428580.db2.gz GQQZVWCFNPUZCE-ZTNFWEORSA-N 2 0 371.912 3.019 10 0 FGAERP [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccc(Cl)cc3Br)C[C@H]12 ZINC000261717235 497438061 /nfs/dbraw/zinc/43/80/61/497438061.db2.gz JXHBESZYXOHJTM-SCDSUCTJSA-N 2 0 359.695 3.150 10 0 FGAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)Cc3ccccc3)C2)[nH+]1 ZINC000246066614 497609873 /nfs/dbraw/zinc/60/98/73/497609873.db2.gz AXIHFRUFTOOSDH-UYAOXDASSA-N 2 0 366.509 3.171 10 0 FGAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccc(Cl)cc1 ZINC000246077344 497613190 /nfs/dbraw/zinc/61/31/90/497613190.db2.gz CUSCFOYDIUKCAV-HOTGVXAUSA-N 2 0 372.900 3.346 10 0 FGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246457356 497740873 /nfs/dbraw/zinc/74/08/73/497740873.db2.gz JHEADHOOEFPXQP-HLAWJBBLSA-N 2 0 372.557 3.165 10 0 FGAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000247195443 713636789 /nfs/dbraw/zinc/63/67/89/713636789.db2.gz UGTLTOSIBPLYBN-ZWKOTPCHSA-N 2 0 353.551 3.488 10 0 FGAERP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000249033574 713662532 /nfs/dbraw/zinc/66/25/32/713662532.db2.gz MCRIBBQTJBSECV-FGTMMUONSA-N 2 0 353.551 3.486 10 0 FGAERP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnc(C4CC4)s3)C2)ccn1 ZINC000886046194 739211607 /nfs/dbraw/zinc/21/16/07/739211607.db2.gz WACWMHIZTMKKOR-QGZVFWFLSA-N 2 0 358.511 3.130 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000121142286 494614938 /nfs/dbraw/zinc/61/49/38/494614938.db2.gz RMELTHZKBMRPFM-AWEZNQCLSA-N 2 0 360.420 3.110 10 0 FGAERP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(OC(F)F)cc1C ZINC000121148985 494617550 /nfs/dbraw/zinc/61/75/50/494617550.db2.gz CKASSWDGJPYUNZ-INIZCTEOSA-N 2 0 370.484 3.429 10 0 FGAERP COc1cc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc(OC)c1OC ZINC000092813323 494761587 /nfs/dbraw/zinc/76/15/87/494761587.db2.gz CEEDKNPNBMAVFN-INIZCTEOSA-N 2 0 371.481 3.350 10 0 FGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2cccc3ccccc32)CC1 ZINC000106124200 495416937 /nfs/dbraw/zinc/41/69/37/495416937.db2.gz UVOUXCPZDIWTIM-SFHVURJKSA-N 2 0 356.510 3.243 10 0 FGAERP CCC[C@@H](C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)[NH+](C)C ZINC000186130947 495867518 /nfs/dbraw/zinc/86/75/18/495867518.db2.gz VGMYRWZBFIXLHK-HOTGVXAUSA-N 2 0 359.436 3.155 10 0 FGAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N(C3CC3)C3CCCC3)C2)[nH+]1 ZINC000171649118 495968057 /nfs/dbraw/zinc/96/80/57/495968057.db2.gz OKNILUWLJGIAAX-KRWDZBQOSA-N 2 0 356.514 3.057 10 0 FGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000186591533 496062052 /nfs/dbraw/zinc/06/20/52/496062052.db2.gz FLECUZMOYMJTAL-ZACQAIPSSA-N 2 0 360.571 3.404 10 0 FGAERP CCC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[NH+](C)C ZINC000158461205 496706923 /nfs/dbraw/zinc/70/69/23/496706923.db2.gz AZVNXLOOOKFYEX-IAGOWNOFSA-N 2 0 371.447 3.126 10 0 FGAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000247108774 496781028 /nfs/dbraw/zinc/78/10/28/496781028.db2.gz QZCUXYPNNBVWIX-FPOVZHCZSA-N 2 0 366.509 3.192 10 0 FGAERP CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000247855878 496921621 /nfs/dbraw/zinc/92/16/21/496921621.db2.gz YDHHDPQJBKOOJK-QGTPRVQTSA-N 2 0 369.912 3.318 10 0 FGAERP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@H]1c1ccccc1 ZINC000261730869 497440370 /nfs/dbraw/zinc/44/03/70/497440370.db2.gz OJRWYNMYKKRINX-PUHATCMVSA-N 2 0 366.505 3.419 10 0 FGAERP CCN(C)c1ccc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cn1 ZINC000261913286 497475172 /nfs/dbraw/zinc/47/51/72/497475172.db2.gz JOQFFBHQJMWJGO-FQEVSTJZSA-N 2 0 353.514 3.077 10 0 FGAERP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000379659833 499542918 /nfs/dbraw/zinc/54/29/18/499542918.db2.gz BFOLJIDETOGCBU-IFMALSPDSA-N 2 0 363.505 3.044 10 0 FGAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000301314898 713781837 /nfs/dbraw/zinc/78/18/37/713781837.db2.gz SPBGRGFJBYSEFI-KSZLIROESA-N 2 0 353.551 3.342 10 0 FGAERP O[C@H](COc1ccccc1C[NH+]1CCCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000015073456 220145596 /nfs/dbraw/zinc/14/55/96/220145596.db2.gz WZWRIGWMUGERSX-QFIPXVFZSA-N 2 0 366.505 3.080 10 0 FGAERP CCN1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000133062406 494963090 /nfs/dbraw/zinc/96/30/90/494963090.db2.gz NIVNCFLPXBZBNA-ZFWWWQNUSA-N 2 0 373.419 3.376 10 0 FGAERP CCC[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1)[NH+](C)C ZINC000133562033 495028851 /nfs/dbraw/zinc/02/88/51/495028851.db2.gz WTHPEFHRPZYMMD-LJQANCHMSA-N 2 0 364.509 3.025 10 0 FGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc(-c3ccccc3)s2)CC1 ZINC000170941933 495661043 /nfs/dbraw/zinc/66/10/43/495661043.db2.gz PDTBSIMRNJCENY-MRXNPFEDSA-N 2 0 359.539 3.335 10 0 FGAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000173752194 495677210 /nfs/dbraw/zinc/67/72/10/495677210.db2.gz LHOYNNJSARRQEV-LEWJYISDSA-N 2 0 372.557 3.295 10 0 FGAERP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171652382 495972427 /nfs/dbraw/zinc/97/24/27/495972427.db2.gz ODVZHDVKYCHVER-GUDVDZBRSA-N 2 0 358.530 3.303 10 0 FGAERP CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180500541 496022728 /nfs/dbraw/zinc/02/27/28/496022728.db2.gz RLNHWHKURLALHD-AEFFLSMTSA-N 2 0 371.529 3.008 10 0 FGAERP CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180644151 496084124 /nfs/dbraw/zinc/08/41/24/496084124.db2.gz PAVJGOKADNWLHB-AEFFLSMTSA-N 2 0 371.529 3.008 10 0 FGAERP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000177866094 496230507 /nfs/dbraw/zinc/23/05/07/496230507.db2.gz DUHIZKMYOWPACI-SFTDATJTSA-N 2 0 372.557 3.024 10 0 FGAERP CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2ncc(C(C)(C)C)o2)ncn1 ZINC000175184745 496281700 /nfs/dbraw/zinc/28/17/00/496281700.db2.gz IWZSQMACEOKONV-ZIAGYGMSSA-N 2 0 358.490 3.123 10 0 FGAERP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000247108763 496781180 /nfs/dbraw/zinc/78/11/80/496781180.db2.gz QZCUXYPNNBVWIX-CTNGQTDRSA-N 2 0 366.509 3.192 10 0 FGAERP C[NH+](C)C[C@H]1CCN(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)C1 ZINC000247521822 496879265 /nfs/dbraw/zinc/87/92/65/496879265.db2.gz WUIMMPSTPUGJMJ-RTBURBONSA-N 2 0 370.493 3.102 10 0 FGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCC5(CC4)OCCO5)[C@@H]3C2)cc1 ZINC000248422489 497006419 /nfs/dbraw/zinc/00/64/19/497006419.db2.gz YQHKTOFTSLPOTN-CEWLAPEOSA-N 2 0 356.510 3.172 10 0 FGAERP COc1ccc(C[C@H](C)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1F ZINC000248877737 497123567 /nfs/dbraw/zinc/12/35/67/497123567.db2.gz NCCQCLQPXXZSDZ-IRXDYDNUSA-N 2 0 366.521 3.038 10 0 FGAERP CC(C)N(Cc1ccccc1)C(=O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261727606 497441326 /nfs/dbraw/zinc/44/13/26/497441326.db2.gz LRKWMBKNUHAMCV-YADHBBJMSA-N 2 0 365.521 3.098 10 0 FGAERP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1c1ccccc1 ZINC000261818577 497457020 /nfs/dbraw/zinc/45/70/20/497457020.db2.gz NEQJKPCJFAQCOR-MJGOQNOKSA-N 2 0 350.491 3.379 10 0 FGAERP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000261952258 497482224 /nfs/dbraw/zinc/48/22/24/497482224.db2.gz OMWNGSACXDMGPN-DNVJHFABSA-N 2 0 371.569 3.165 10 0 FGAERP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262384952 497548051 /nfs/dbraw/zinc/54/80/51/497548051.db2.gz NKIAVBKPKRBDDE-NVXWUHKLSA-N 2 0 371.447 3.113 10 0 FGAERP O[C@H](C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905544 498764499 /nfs/dbraw/zinc/76/44/99/498764499.db2.gz JYSDHSMORICZEZ-NHCUHLMSSA-N 2 0 372.509 3.049 10 0 FGAERP