smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)C1CC[NH+](C2CC2)CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000194592271 178217032 /nfs/dbraw/zinc/21/70/32/178217032.db2.gz XLFWHTWUWISQES-UHFFFAOYSA-N 2 0 359.518 1.680 10 0 FDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000170941939 258265766 /nfs/dbraw/zinc/26/57/66/258265766.db2.gz OODMOIJPAQXQKV-DLBZAZTESA-N 2 0 359.514 1.989 10 0 FDAERP CC[NH+]1CCN(c2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2N)CC1 ZINC000040726613 136120055 /nfs/dbraw/zinc/12/00/55/136120055.db2.gz PYSBVUVOIMEOML-UHFFFAOYSA-N 2 0 361.538 1.922 10 0 FDAERP C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173345665 258296997 /nfs/dbraw/zinc/29/69/97/258296997.db2.gz RCRPVVQBBYGJRK-RDJZCZTQSA-N 2 0 369.531 1.434 10 0 FDAERP CC[N@H+](CCNC(=O)NC[C@H](O)C[NH+]1CCc2ccccc2C1)C1CC1 ZINC000102066537 172345966 /nfs/dbraw/zinc/34/59/66/172345966.db2.gz WDZHNUDRZPMHFJ-IBGZPJMESA-N 2 0 360.502 1.189 10 0 FDAERP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000126942754 173060253 /nfs/dbraw/zinc/06/02/53/173060253.db2.gz YDQOMQAFFWGMLO-HTUJPFKRSA-N 2 0 365.566 1.669 10 0 FDAERP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000136921141 173366092 /nfs/dbraw/zinc/36/60/92/173366092.db2.gz NRFBKZMJCWXHAZ-UYAOXDASSA-N 2 0 359.514 1.776 10 0 FDAERP Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000177696854 174152272 /nfs/dbraw/zinc/15/22/72/174152272.db2.gz WJEWYBKNWPUDSK-INIZCTEOSA-N 2 0 374.485 1.181 10 0 FDAERP C[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000173561966 258303101 /nfs/dbraw/zinc/30/31/01/258303101.db2.gz UTLZKVQLZNLMOE-PKOBYXMFSA-N 2 0 361.534 1.472 10 0 FDAERP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000176627074 258325274 /nfs/dbraw/zinc/32/52/74/258325274.db2.gz UNJIJLKNDXBXMR-FUHWJXTLSA-N 2 0 352.523 1.754 10 0 FDAERP CC[NH+]1CCN(c2ccccc2CN2CCO[C@H](c3nnc(C)[nH]3)C2)CC1 ZINC000329161368 259081087 /nfs/dbraw/zinc/08/10/87/259081087.db2.gz FOYICNFWGABHQO-IBGZPJMESA-N 2 0 370.501 1.829 10 0 FDAERP CC(C)[NH+]1CCC(NC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000049165975 522816915 /nfs/dbraw/zinc/81/69/15/522816915.db2.gz ZBWBTJUGNNQKPW-FQEVSTJZSA-N 2 0 374.529 1.578 10 0 FDAERP CN1CCC([NH+]2CCC(NC(=O)NCCCC[NH+]3CCCC3)CC2)CC1 ZINC000051760751 523066293 /nfs/dbraw/zinc/06/62/93/523066293.db2.gz KAXJYMJFOCSYID-UHFFFAOYSA-N 2 0 365.566 1.720 10 0 FDAERP CC[N@@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000052498389 523185697 /nfs/dbraw/zinc/18/56/97/523185697.db2.gz FOWXUBCOHQRYFI-KRWDZBQOSA-N 2 0 352.523 1.805 10 0 FDAERP Cc1c(OCCN2CC[NH+](C)CC2)cc(Cl)cc1N1CC[NH2+]CC1 ZINC000149818296 524468436 /nfs/dbraw/zinc/46/84/36/524468436.db2.gz ZAVJCDSVFWYPNC-UHFFFAOYSA-N 2 0 352.910 1.684 10 0 FDAERP C[NH+](C)CCOc1cc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccn1 ZINC000153606395 525262821 /nfs/dbraw/zinc/26/28/21/525262821.db2.gz IBNIFAIESHVBTD-KRWDZBQOSA-N 2 0 361.490 1.402 10 0 FDAERP C[C@@H](CNC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)[NH+](C)C1CC1 ZINC000105267443 525482001 /nfs/dbraw/zinc/48/20/01/525482001.db2.gz RSRBKUHECMJQCJ-KXBFYZLASA-N 2 0 360.502 1.188 10 0 FDAERP CCC[C@@H](C(=O)N1CCN(C(=O)[C@H](CCC)[NH+](C)C)[C@@H](C)C1)[NH+](C)C ZINC000128243475 525519895 /nfs/dbraw/zinc/51/98/95/525519895.db2.gz PCZRFSQQFNEAQC-ULQDDVLXSA-N 2 0 354.539 1.506 10 0 FDAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184865735 536188231 /nfs/dbraw/zinc/18/82/31/536188231.db2.gz QKQDDAHGVVBUAU-WMZOPIPTSA-N 2 0 356.555 1.697 10 0 FDAERP CCOCCN1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000246300727 536922019 /nfs/dbraw/zinc/92/20/19/536922019.db2.gz CDCRULLEQYHXFO-QGZVFWFLSA-N 2 0 354.539 1.018 10 0 FDAERP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246435412 536952495 /nfs/dbraw/zinc/95/24/95/536952495.db2.gz VUIIZLIFRWMQMF-HOJAQTOUSA-N 2 0 358.530 1.649 10 0 FDAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000189010453 536985065 /nfs/dbraw/zinc/98/50/65/536985065.db2.gz JGZRAQMAMHYXFC-GOSISDBHSA-N 2 0 373.541 1.986 10 0 FDAERP C[C@H](C(=O)NCCc1cccs1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246770428 537023155 /nfs/dbraw/zinc/02/31/55/537023155.db2.gz ORUNVKFMPTVQBW-JKSUJKDBSA-N 2 0 367.559 1.820 10 0 FDAERP CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246784868 537025407 /nfs/dbraw/zinc/02/54/07/537025407.db2.gz AAJFBSBMPUIALM-KURKYZTESA-N 2 0 351.539 1.138 10 0 FDAERP CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246784976 537026078 /nfs/dbraw/zinc/02/60/78/537026078.db2.gz AAJFBSBMPUIALM-KZNAEPCWSA-N 2 0 351.539 1.138 10 0 FDAERP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000247282344 537103183 /nfs/dbraw/zinc/10/31/83/537103183.db2.gz KJLHPQVJBICVSZ-ZWKOTPCHSA-N 2 0 359.518 1.439 10 0 FDAERP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)CC1=O ZINC000247498132 537126128 /nfs/dbraw/zinc/12/61/28/537126128.db2.gz XJSRLUOZAJQIER-MLHJIOFPSA-N 2 0 364.534 1.164 10 0 FDAERP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000248564869 537192272 /nfs/dbraw/zinc/19/22/72/537192272.db2.gz BMWCNCYRNWGKIG-BZSNNMDCSA-N 2 0 354.539 1.595 10 0 FDAERP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@@H]1C ZINC000248632711 537199073 /nfs/dbraw/zinc/19/90/73/537199073.db2.gz PLVPZDCDTXBWPR-IRXDYDNUSA-N 2 0 366.550 1.880 10 0 FDAERP CC[N@H+](CC(=O)N1CCC(N(C)CC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000191907173 537214451 /nfs/dbraw/zinc/21/44/51/537214451.db2.gz WAHLKCHZHCENQG-UHFFFAOYSA-N 2 0 353.507 1.735 10 0 FDAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000248925514 537221821 /nfs/dbraw/zinc/22/18/21/537221821.db2.gz XCEJGMDSKCACFJ-NZSAHSFTSA-N 2 0 360.502 1.479 10 0 FDAERP CN(C(=O)C(C)(C)N1CC[NH2+]CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388410087 537765727 /nfs/dbraw/zinc/76/57/27/537765727.db2.gz ONONBXDOWLXWCF-LJQANCHMSA-N 2 0 358.530 1.793 10 0 FDAERP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000262046151 672717514 /nfs/dbraw/zinc/71/75/14/672717514.db2.gz ZDOUDJVXIOVRIY-GVDBMIGSSA-N 2 0 367.515 1.184 10 0 FDAERP O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194443407 178211639 /nfs/dbraw/zinc/21/16/39/178211639.db2.gz FHEMJOUQCHMYJD-PMACEKPBSA-N 2 0 374.529 1.655 10 0 FDAERP CCc1nccn1[C@H]1CCCN(C(=O)NCCN2CCOCC2(C)C)C1 ZINC000172461754 258276800 /nfs/dbraw/zinc/27/68/00/258276800.db2.gz NUKPMHSWRREQRD-INIZCTEOSA-N 2 0 363.506 1.903 10 0 FDAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176059169 174049021 /nfs/dbraw/zinc/04/90/21/174049021.db2.gz MJSYHYPQRZMTKU-MRXNPFEDSA-N 2 0 361.490 1.795 10 0 FDAERP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@H](N4CCOCC4)C3)c2cc1C ZINC000173932211 258314595 /nfs/dbraw/zinc/31/45/95/258314595.db2.gz GPIKBIPZWCGKFJ-ZWKOTPCHSA-N 2 0 358.486 1.421 10 0 FDAERP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)N2CCOCC2)s1 ZINC000178606473 258329803 /nfs/dbraw/zinc/32/98/03/258329803.db2.gz RIABPFHELMLOMP-HZPDHXFCSA-N 2 0 366.531 1.823 10 0 FDAERP CC[NH+]1CCC(NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000328810067 259059962 /nfs/dbraw/zinc/05/99/62/259059962.db2.gz DRLAUPFUOVATRZ-UHFFFAOYSA-N 2 0 367.515 1.281 10 0 FDAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000079495809 523758088 /nfs/dbraw/zinc/75/80/88/523758088.db2.gz JCVSIFZWEXVGDL-GOSISDBHSA-N 2 0 354.539 1.717 10 0 FDAERP CC(C)c1nnc(NC(=O)CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000137139979 524230241 /nfs/dbraw/zinc/23/02/41/524230241.db2.gz NOMAFYWYHQLMGR-CYBMUJFWSA-N 2 0 369.535 1.625 10 0 FDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000113444582 524686463 /nfs/dbraw/zinc/68/64/63/524686463.db2.gz HXMMUEJYHQFCJY-YLJYHZDGSA-N 2 0 356.514 1.743 10 0 FDAERP CCOCC[N@@H+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1CC ZINC000114456657 524805184 /nfs/dbraw/zinc/80/51/84/524805184.db2.gz SSJHSZQUGIBAGU-IBGZPJMESA-N 2 0 368.566 1.408 10 0 FDAERP CCC(CC)[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[NH+]1CCCC1 ZINC000117029527 525269132 /nfs/dbraw/zinc/26/91/32/525269132.db2.gz IUGGRMGHSTXPLD-QZTJIDSGSA-N 2 0 354.539 1.859 10 0 FDAERP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)CC[N@@H+]1CCOC ZINC000117484516 525348057 /nfs/dbraw/zinc/34/80/57/525348057.db2.gz JDBAHISDNARZGP-OKZBNKHCSA-N 2 0 354.539 1.859 10 0 FDAERP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000105174333 525471957 /nfs/dbraw/zinc/47/19/57/525471957.db2.gz IVICPMPIZKCKPK-LJQANCHMSA-N 2 0 374.529 1.927 10 0 FDAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000178729058 525472398 /nfs/dbraw/zinc/47/23/98/525472398.db2.gz CZJPSVQHIKPZFD-MSOLQXFVSA-N 2 0 354.539 1.763 10 0 FDAERP C[C@H](CNC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)[NH+](C)C1CC1 ZINC000105267448 525482598 /nfs/dbraw/zinc/48/25/98/525482598.db2.gz RSRBKUHECMJQCJ-BEFAXECRSA-N 2 0 360.502 1.188 10 0 FDAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000106125667 525621597 /nfs/dbraw/zinc/62/15/97/525621597.db2.gz QGCFUFFNFIEMTM-HOTGVXAUSA-N 2 0 365.493 1.855 10 0 FDAERP CN(C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CC1 ZINC000106126926 525621994 /nfs/dbraw/zinc/62/19/94/525621994.db2.gz QKOOGZWYCVGNON-FQEVSTJZSA-N 2 0 359.514 1.985 10 0 FDAERP Cn1ccnc1CC1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000106162816 525645190 /nfs/dbraw/zinc/64/51/90/525645190.db2.gz NNAFMFTVDMESGC-UHFFFAOYSA-N 2 0 359.518 1.418 10 0 FDAERP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000181711967 525901702 /nfs/dbraw/zinc/90/17/02/525901702.db2.gz NLDPLYZWKLSCOR-MJGOQNOKSA-N 2 0 368.566 1.841 10 0 FDAERP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000181715499 525902788 /nfs/dbraw/zinc/90/27/88/525902788.db2.gz JKGPZVCDCOORIM-INIZCTEOSA-N 2 0 354.539 1.595 10 0 FDAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000181751671 525917528 /nfs/dbraw/zinc/91/75/28/525917528.db2.gz ZGUXULKDVKIPLA-PMACEKPBSA-N 2 0 374.529 1.879 10 0 FDAERP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)nc1 ZINC000182167616 526081089 /nfs/dbraw/zinc/08/10/89/526081089.db2.gz JIZLTGOJWYUVHC-IBGZPJMESA-N 2 0 353.470 1.492 10 0 FDAERP CC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000184711718 536177902 /nfs/dbraw/zinc/17/79/02/536177902.db2.gz YDLWWWCRPLUZCE-IAGOWNOFSA-N 2 0 354.539 1.738 10 0 FDAERP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)c1ccco1 ZINC000185769183 536217112 /nfs/dbraw/zinc/21/71/12/536217112.db2.gz UAQJIRWPRKOKPU-BRWVUGGUSA-N 2 0 366.506 1.759 10 0 FDAERP CCO[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)C12CCOCC2 ZINC000186243183 536229823 /nfs/dbraw/zinc/22/98/23/536229823.db2.gz JOPXXUFPQCPAEN-OALUTQOASA-N 2 0 353.551 1.968 10 0 FDAERP 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CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000125553906 525211998 /nfs/dbraw/zinc/21/19/98/525211998.db2.gz RXJQSJSMPBGKDG-HZPDHXFCSA-N 2 0 364.490 1.272 10 0 FDAERP CC(C)[N@@H+]1CCO[C@H](CN2CCN(CC[NH+]3CCC(C)CC3)CC2)C1 ZINC000153806296 525328320 /nfs/dbraw/zinc/32/83/20/525328320.db2.gz RQJVMCRJAZNJPH-HXUWFJFHSA-N 2 0 352.567 1.445 10 0 FDAERP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCC[C@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000162911034 525333153 /nfs/dbraw/zinc/33/31/53/525333153.db2.gz WHNOQLPHXDXWKY-HUUCEWRRSA-N 2 0 354.539 1.411 10 0 FDAERP CCC[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[NH+](C)C ZINC000153848341 525341729 /nfs/dbraw/zinc/34/17/29/525341729.db2.gz FECRKFOVMUGGMQ-OALUTQOASA-N 2 0 374.529 1.730 10 0 FDAERP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)C1 ZINC000106121834 525612722 /nfs/dbraw/zinc/61/27/22/525612722.db2.gz JXVUXQWYCVMTMR-NHCUHLMSSA-N 2 0 361.530 1.317 10 0 FDAERP CCC[N@@H+]1CC[C@@H](CNC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)C1 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ZTTDJRUZXONPLL-ZWKOTPCHSA-N 2 0 354.539 1.861 10 0 FDAERP C[N@H+](CCN1C(=O)CCC1=O)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128351 525621652 /nfs/dbraw/zinc/62/16/52/525621652.db2.gz JAUOSPDKAMNNRM-IBGZPJMESA-N 2 0 373.497 1.513 10 0 FDAERP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000130677374 525785036 /nfs/dbraw/zinc/78/50/36/525785036.db2.gz SWUBNVRLZVGXSS-QGZVFWFLSA-N 2 0 371.566 1.578 10 0 FDAERP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106917602 525822005 /nfs/dbraw/zinc/82/20/05/525822005.db2.gz LOJZWNQTMVKBAO-IBGZPJMESA-N 2 0 374.529 1.172 10 0 FDAERP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000181715517 525902969 /nfs/dbraw/zinc/90/29/69/525902969.db2.gz JKGPZVCDCOORIM-MRXNPFEDSA-N 2 0 354.539 1.595 10 0 FDAERP CC[NH+]1CCC(CCNC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000181849371 525954422 /nfs/dbraw/zinc/95/44/22/525954422.db2.gz LCFMRVXGRXFPQE-KRWDZBQOSA-N 2 0 368.566 1.843 10 0 FDAERP CC(C)[NH+](CCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)C(C)C ZINC000184697152 536177195 /nfs/dbraw/zinc/17/71/95/536177195.db2.gz MNHNBEXGNXBVMJ-KRWDZBQOSA-N 2 0 356.555 1.839 10 0 FDAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000246912466 537050175 /nfs/dbraw/zinc/05/01/75/537050175.db2.gz IJRGOJIJOWKTQR-RLLQIKCJSA-N 2 0 357.498 1.973 10 0 FDAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000247313893 537106220 /nfs/dbraw/zinc/10/62/20/537106220.db2.gz OFYCMMHGIYNRHL-WMZOPIPTSA-N 2 0 372.517 1.212 10 0 FDAERP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC000248615196 537197131 /nfs/dbraw/zinc/19/71/31/537197131.db2.gz LUUSBIZIULRQEE-SQNIBIBYSA-N 2 0 354.539 1.738 10 0 FDAERP CCOCCN1CCN(C(=O)[C@]2([NH3+])C[C@@H](OCC)C2(C)C)C[C@H]1CC ZINC000249073482 537226944 /nfs/dbraw/zinc/22/69/44/537226944.db2.gz MQBHELYQVFRXPI-GPMSIDNRSA-N 2 0 355.523 1.478 10 0 FDAERP C[N@H+](CCCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000192801696 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352.523 1.754 10 0 FDAERP O=C(CN1CC[N@@H+]2CCC[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000245793906 178381786 /nfs/dbraw/zinc/38/17/86/178381786.db2.gz DUFPLADZMMLVJX-FQEVSTJZSA-N 2 0 356.514 1.679 10 0 FDAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246753477 178448448 /nfs/dbraw/zinc/44/84/48/178448448.db2.gz MCNHBNDIDSKXBB-NUJGCVRESA-N 2 0 350.507 1.365 10 0 FDAERP O=C(NCCCC[NH+]1CCCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077347988 172125465 /nfs/dbraw/zinc/12/54/65/172125465.db2.gz RUNBTBFATJYCBN-QGZVFWFLSA-N 2 0 352.523 1.663 10 0 FDAERP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151246899 173394676 /nfs/dbraw/zinc/39/46/76/173394676.db2.gz ULEGHKBGTSGUCA-UONOGXRCSA-N 2 0 354.882 1.889 10 0 FDAERP O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176492134 258324524 /nfs/dbraw/zinc/32/45/24/258324524.db2.gz TZTHPCWCDVLZKA-LJQANCHMSA-N 2 0 366.550 1.930 10 0 FDAERP C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)[C@@H](C[NH3+])C1 ZINC000333838099 259386182 /nfs/dbraw/zinc/38/61/82/259386182.db2.gz UOMYSFOUOAULQE-KYHPRHEASA-N 2 0 362.522 1.572 10 0 FDAERP CC(C)[NH2+]C[C@@H](O)COc1cccc2c1ccn2C[C@@H](O)C[NH2+]C(C)C ZINC000032219247 519487515 /nfs/dbraw/zinc/48/75/15/519487515.db2.gz FMWDTBSIDVGRKS-DLBZAZTESA-N 2 0 363.502 1.738 10 0 FDAERP Cc1c(NCC[NH+]2CCCC2)cc(S(C)(=O)=O)cc1N1CC[NH2+]CC1 ZINC000150313884 524476071 /nfs/dbraw/zinc/47/60/71/524476071.db2.gz NSFXJPRDEUVGSN-UHFFFAOYSA-N 2 0 366.531 1.316 10 0 FDAERP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CCO1 ZINC000117025877 525267564 /nfs/dbraw/zinc/26/75/64/525267564.db2.gz NIANCIWOCJZKPT-IAGOWNOFSA-N 2 0 352.454 1.400 10 0 FDAERP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000117030167 525270481 /nfs/dbraw/zinc/27/04/81/525270481.db2.gz UFARLHIQDLHUAL-FQEVSTJZSA-N 2 0 374.529 1.931 10 0 FDAERP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@@H]1CC 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IQNYRSNWMXCWBC-MSOLQXFVSA-N 2 0 368.566 1.843 10 0 FDAERP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246392010 536943119 /nfs/dbraw/zinc/94/31/19/536943119.db2.gz PJKDEEDXWIXZNG-NQIIRXRSSA-N 2 0 370.541 1.936 10 0 FDAERP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263187028 536989624 /nfs/dbraw/zinc/98/96/24/536989624.db2.gz HLQQJIDNFWJQCA-UHIISALHSA-N 2 0 356.264 1.336 10 0 FDAERP C[C@H](c1nnnn1C)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000189181766 537009075 /nfs/dbraw/zinc/00/90/75/537009075.db2.gz NKCPHNSOJDVVJQ-QAPCUYQASA-N 2 0 358.490 1.649 10 0 FDAERP COCCN1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000247071316 537078105 /nfs/dbraw/zinc/07/81/05/537078105.db2.gz KUCHQMJYYQAKOA-SJORKVTESA-N 2 0 354.539 1.859 10 0 FDAERP O=C(CCCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000247133661 537085934 /nfs/dbraw/zinc/08/59/34/537085934.db2.gz KMHYWJWLYXZACP-ROUUACIJSA-N 2 0 362.518 1.160 10 0 FDAERP 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