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@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000245603942 178370538 /nfs/dbraw/zinc/37/05/38/178370538.db2.gz LNXKEJIAXJDEML-KPFFTGBYSA-N 2 1 357.498 1.880 10 0 FDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000245603942 178370539 /nfs/dbraw/zinc/37/05/39/178370539.db2.gz LNXKEJIAXJDEML-KPFFTGBYSA-N 2 1 357.498 1.880 10 0 FDAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000263263884 178887057 /nfs/dbraw/zinc/88/70/57/178887057.db2.gz RGIIZBDVKQOJPQ-ICSRJNTNSA-N 2 1 363.465 1.663 10 0 FDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000170941939 258265767 /nfs/dbraw/zinc/26/57/67/258265767.db2.gz OODMOIJPAQXQKV-DLBZAZTESA-N 2 1 359.514 1.989 10 0 FDAEMP CC[N@@H+](CCNC(=O)NC[C@H](O)C[NH+]1CCc2ccccc2C1)C1CC1 ZINC000102066537 172345968 /nfs/dbraw/zinc/34/59/68/172345968.db2.gz WDZHNUDRZPMHFJ-IBGZPJMESA-N 2 1 360.502 1.189 10 0 FDAEMP CC[NH+](CCNC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000102066537 172345971 /nfs/dbraw/zinc/34/59/71/172345971.db2.gz WDZHNUDRZPMHFJ-IBGZPJMESA-N 2 1 360.502 1.189 10 0 FDAEMP CC[NH+](CCNC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000102066537 172345974 /nfs/dbraw/zinc/34/59/74/172345974.db2.gz WDZHNUDRZPMHFJ-IBGZPJMESA-N 2 1 360.502 1.189 10 0 FDAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000126942754 173060257 /nfs/dbraw/zinc/06/02/57/173060257.db2.gz YDQOMQAFFWGMLO-HTUJPFKRSA-N 3 1 365.566 1.669 10 0 FDAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)[nH+]1 ZINC000131301578 173197073 /nfs/dbraw/zinc/19/70/73/173197073.db2.gz IWFFXFQMSVOZRC-SJORKVTESA-N 2 1 366.531 1.795 10 0 FDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)[nH+]1 ZINC000131301578 173197075 /nfs/dbraw/zinc/19/70/75/173197075.db2.gz IWFFXFQMSVOZRC-SJORKVTESA-N 2 1 366.531 1.795 10 0 FDAEMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000175637446 174016355 /nfs/dbraw/zinc/01/63/55/174016355.db2.gz PLEHOKYBMLZWPM-QZTJIDSGSA-N 2 1 352.523 1.471 10 0 FDAEMP Cc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000177696854 174152273 /nfs/dbraw/zinc/15/22/73/174152273.db2.gz WJEWYBKNWPUDSK-INIZCTEOSA-N 2 1 374.485 1.181 10 0 FDAEMP C[C@H](NCC(=O)NCC(=O)N1CCCC1)c1cccc(-n2ccnc2)c1 ZINC000180653171 258372497 /nfs/dbraw/zinc/37/24/97/258372497.db2.gz IDXAMDQBAXZXSD-HNNXBMFYSA-N 2 1 355.442 1.262 10 0 FDAEMP C[C@@H](CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000173561966 258303102 /nfs/dbraw/zinc/30/31/02/258303102.db2.gz UTLZKVQLZNLMOE-PKOBYXMFSA-N 2 1 361.534 1.472 10 0 FDAEMP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000176627074 258325275 /nfs/dbraw/zinc/32/52/75/258325275.db2.gz UNJIJLKNDXBXMR-FUHWJXTLSA-N 2 1 352.523 1.754 10 0 FDAEMP CC[NH+]1CCN(c2ccccc2CN2CCO[C@H](c3n[nH]c(C)n3)C2)CC1 ZINC000329161368 259081088 /nfs/dbraw/zinc/08/10/88/259081088.db2.gz FOYICNFWGABHQO-IBGZPJMESA-N 2 1 370.501 1.829 10 0 FDAEMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1 ZINC000333754091 259377710 /nfs/dbraw/zinc/37/77/10/259377710.db2.gz ZMDGGDGSZPJBEU-YQVWRLOYSA-N 2 1 364.465 1.484 10 0 FDAEMP CC(C)[NH+]1CCC(NC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000049165975 522816931 /nfs/dbraw/zinc/81/69/31/522816931.db2.gz ZBWBTJUGNNQKPW-FQEVSTJZSA-N 2 1 374.529 1.578 10 0 FDAEMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)CC1 ZINC000066666881 523159416 /nfs/dbraw/zinc/15/94/16/523159416.db2.gz LBITUDJAWXUNGW-GOSISDBHSA-N 2 1 369.550 1.429 10 0 FDAEMP CC[N@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000052498389 523185713 /nfs/dbraw/zinc/18/57/13/523185713.db2.gz FOWXUBCOHQRYFI-KRWDZBQOSA-N 2 1 352.523 1.805 10 0 FDAEMP Cc1c(OCC[NH+]2CCN(C)CC2)cc(Cl)cc1N1CC[NH2+]CC1 ZINC000149818296 524468454 /nfs/dbraw/zinc/46/84/54/524468454.db2.gz ZAVJCDSVFWYPNC-UHFFFAOYSA-N 2 1 352.910 1.684 10 0 FDAEMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000113222856 524641970 /nfs/dbraw/zinc/64/19/70/524641970.db2.gz FCJRANMOUREKFY-AZUAARDMSA-N 2 1 356.514 1.499 10 0 FDAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000113222856 524641979 /nfs/dbraw/zinc/64/19/79/524641979.db2.gz FCJRANMOUREKFY-AZUAARDMSA-N 2 1 356.514 1.499 10 0 FDAEMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000115808198 525064762 /nfs/dbraw/zinc/06/47/62/525064762.db2.gz NUTWPOOPCRUQLQ-QGZVFWFLSA-N 2 1 362.522 1.369 10 0 FDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000115808198 525064773 /nfs/dbraw/zinc/06/47/73/525064773.db2.gz NUTWPOOPCRUQLQ-QGZVFWFLSA-N 2 1 362.522 1.369 10 0 FDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)C1 ZINC000115808198 525064779 /nfs/dbraw/zinc/06/47/79/525064779.db2.gz NUTWPOOPCRUQLQ-QGZVFWFLSA-N 2 1 362.522 1.369 10 0 FDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)C1 ZINC000115808198 525064790 /nfs/dbraw/zinc/06/47/90/525064790.db2.gz NUTWPOOPCRUQLQ-QGZVFWFLSA-N 2 1 362.522 1.369 10 0 FDAEMP C[C@H](CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)C[NH+]1CCCC1 ZINC000115804246 525065461 /nfs/dbraw/zinc/06/54/61/525065461.db2.gz PJVSBCMQVSSIRA-QGZVFWFLSA-N 2 1 362.522 1.369 10 0 FDAEMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)C[NH+]1CCCC1 ZINC000115804246 525065471 /nfs/dbraw/zinc/06/54/71/525065471.db2.gz PJVSBCMQVSSIRA-QGZVFWFLSA-N 2 1 362.522 1.369 10 0 FDAEMP C[NH+](C)CCOc1cc(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccn1 ZINC000153606395 525262836 /nfs/dbraw/zinc/26/28/36/525262836.db2.gz IBNIFAIESHVBTD-KRWDZBQOSA-N 2 1 361.490 1.402 10 0 FDAEMP CCC(CC)[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000117029465 525270665 /nfs/dbraw/zinc/27/06/65/525270665.db2.gz GFTFPOYWUJXRTJ-ROUUACIJSA-N 2 1 370.538 1.095 10 0 FDAEMP C[C@@H](CNC(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)[NH+](C)C1CC1 ZINC000105267443 525482019 /nfs/dbraw/zinc/48/20/19/525482019.db2.gz RSRBKUHECMJQCJ-KXBFYZLASA-N 2 1 360.502 1.188 10 0 FDAEMP C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCc2ccccc2C1)[N@H+](C)C1CC1 ZINC000105267443 525482024 /nfs/dbraw/zinc/48/20/24/525482024.db2.gz RSRBKUHECMJQCJ-KXBFYZLASA-N 2 1 360.502 1.188 10 0 FDAEMP C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000105267443 525482033 /nfs/dbraw/zinc/48/20/33/525482033.db2.gz RSRBKUHECMJQCJ-KXBFYZLASA-N 2 1 360.502 1.188 10 0 FDAEMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C[C@H]1C ZINC000179476881 525589093 /nfs/dbraw/zinc/58/90/93/525589093.db2.gz NBBQMXCQXYANHT-BHIYHBOVSA-N 2 1 360.502 1.794 10 0 FDAEMP COCC[N@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C[C@H]1C ZINC000179476881 525589100 /nfs/dbraw/zinc/58/91/00/525589100.db2.gz NBBQMXCQXYANHT-BHIYHBOVSA-N 2 1 360.502 1.794 10 0 FDAEMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@H]1C ZINC000179476881 525589108 /nfs/dbraw/zinc/58/91/08/525589108.db2.gz NBBQMXCQXYANHT-BHIYHBOVSA-N 2 1 360.502 1.794 10 0 FDAEMP COCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C[C@H]1C ZINC000179476881 525589116 /nfs/dbraw/zinc/58/91/16/525589116.db2.gz NBBQMXCQXYANHT-BHIYHBOVSA-N 2 1 360.502 1.794 10 0 FDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000181741621 525913370 /nfs/dbraw/zinc/91/33/70/525913370.db2.gz WFOWZLKXUFTAMS-HKUYNNGSSA-N 2 1 362.518 1.605 10 0 FDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000181741621 525913380 /nfs/dbraw/zinc/91/33/80/525913380.db2.gz WFOWZLKXUFTAMS-HKUYNNGSSA-N 2 1 362.518 1.605 10 0 FDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000181767634 525923633 /nfs/dbraw/zinc/92/36/33/525923633.db2.gz ZDBKXQUSXAAPOO-PMACEKPBSA-N 2 1 374.529 1.749 10 0 FDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000181767634 525923642 /nfs/dbraw/zinc/92/36/42/525923642.db2.gz ZDBKXQUSXAAPOO-PMACEKPBSA-N 2 1 374.529 1.749 10 0 FDAEMP C[C@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCO1 ZINC000183101578 535920566 /nfs/dbraw/zinc/92/05/66/535920566.db2.gz YIHLEZZRVNMAEC-DLBZAZTESA-N 2 1 353.507 1.295 10 0 FDAEMP CCOCC[N@@H+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000246300727 536922025 /nfs/dbraw/zinc/92/20/25/536922025.db2.gz CDCRULLEQYHXFO-QGZVFWFLSA-N 2 1 354.539 1.018 10 0 FDAEMP CCOCC[N@H+]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000246300727 536922030 /nfs/dbraw/zinc/92/20/30/536922030.db2.gz CDCRULLEQYHXFO-QGZVFWFLSA-N 2 1 354.539 1.018 10 0 FDAEMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246435412 536952503 /nfs/dbraw/zinc/95/25/03/536952503.db2.gz VUIIZLIFRWMQMF-HOJAQTOUSA-N 2 1 358.530 1.649 10 0 FDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000189010453 536985067 /nfs/dbraw/zinc/98/50/67/536985067.db2.gz JGZRAQMAMHYXFC-GOSISDBHSA-N 2 1 373.541 1.986 10 0 FDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000263263885 537004127 /nfs/dbraw/zinc/00/41/27/537004127.db2.gz RGIIZBDVKQOJPQ-QUCCMNQESA-N 2 1 363.465 1.663 10 0 FDAEMP C[C@H](C(=O)NCCc1cccs1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246770428 537023157 /nfs/dbraw/zinc/02/31/57/537023157.db2.gz ORUNVKFMPTVQBW-JKSUJKDBSA-N 2 1 367.559 1.820 10 0 FDAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000246784868 537025421 /nfs/dbraw/zinc/02/54/21/537025421.db2.gz AAJFBSBMPUIALM-KURKYZTESA-N 2 1 351.539 1.138 10 0 FDAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000246784976 537026088 /nfs/dbraw/zinc/02/60/88/537026088.db2.gz AAJFBSBMPUIALM-KZNAEPCWSA-N 2 1 351.539 1.138 10 0 FDAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000247282344 537103186 /nfs/dbraw/zinc/10/31/86/537103186.db2.gz KJLHPQVJBICVSZ-ZWKOTPCHSA-N 2 1 359.518 1.439 10 0 FDAEMP 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 537126131 /nfs/dbraw/zinc/12/61/31/537126131.db2.gz XJSRLUOZAJQIER-MLHJIOFPSA-N 2 1 364.534 1.164 10 0 FDAEMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1=O ZINC000247498132 537126135 /nfs/dbraw/zinc/12/61/35/537126135.db2.gz XJSRLUOZAJQIER-MLHJIOFPSA-N 2 1 364.534 1.164 10 0 FDAEMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1=O ZINC000247498132 537126137 /nfs/dbraw/zinc/12/61/37/537126137.db2.gz XJSRLUOZAJQIER-MLHJIOFPSA-N 2 1 364.534 1.164 10 0 FDAEMP CC[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@@H+]1C[C@H](C)O ZINC000248430123 537180776 /nfs/dbraw/zinc/18/07/76/537180776.db2.gz APNIIRLCDPFOPG-XHSDSOJGSA-N 2 1 352.479 1.369 10 0 FDAEMP CC[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC[N@H+]1C[C@H](C)O ZINC000248430123 537180777 /nfs/dbraw/zinc/18/07/77/537180777.db2.gz APNIIRLCDPFOPG-XHSDSOJGSA-N 2 1 352.479 1.369 10 0 FDAEMP 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C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246480873 536962171 /nfs/dbraw/zinc/96/21/71/536962171.db2.gz VTUJZNYFAVRYDI-ICSRJNTNSA-N 2 1 371.529 1.687 10 0 FDAEMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246480873 536962178 /nfs/dbraw/zinc/96/21/78/536962178.db2.gz VTUJZNYFAVRYDI-ICSRJNTNSA-N 2 1 371.529 1.687 10 0 FDAEMP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000246500108 536967565 /nfs/dbraw/zinc/96/75/65/536967565.db2.gz JAXTVUWOSVWLAT-NEWSRXKRSA-N 2 1 360.502 1.621 10 0 FDAEMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000263262540 537004054 /nfs/dbraw/zinc/00/40/54/537004054.db2.gz GSIWROFFKSQTQM-UHFFFAOYSA-N 2 1 352.276 1.749 10 0 FDAEMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246829784 537035609 /nfs/dbraw/zinc/03/56/09/537035609.db2.gz XHBZPTPVERJKLK-RLLQIKCJSA-N 2 1 374.529 1.028 10 0 FDAEMP C(CN1CC[NH+]2CCCC[C@@H]2C1)OCCN1CC[N@H+]2CCCC[C@@H]2C1 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C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368533 522364788 /nfs/dbraw/zinc/36/47/88/522364788.db2.gz HVWLOBUDIDVNDD-ZNMIVQPWSA-N 2 1 366.506 1.184 10 0 FDAEMP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368533 522364799 /nfs/dbraw/zinc/36/47/99/522364799.db2.gz HVWLOBUDIDVNDD-ZNMIVQPWSA-N 2 1 366.506 1.184 10 0 FDAEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000172145908 524135387 /nfs/dbraw/zinc/13/53/87/524135387.db2.gz XXYZVUJXGOYFFO-MRXNPFEDSA-N 2 1 373.505 1.479 10 0 FDAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000121156544 524168891 /nfs/dbraw/zinc/16/88/91/524168891.db2.gz GAZYGRHGGOSASL-RTBURBONSA-N 2 1 367.582 1.678 10 0 FDAEMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000121156544 524168898 /nfs/dbraw/zinc/16/88/98/524168898.db2.gz GAZYGRHGGOSASL-RTBURBONSA-N 2 1 367.582 1.678 10 0 FDAEMP 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ZINC000261985736 672706898 /nfs/dbraw/zinc/70/68/98/672706898.db2.gz SCWZZAZTBCKDIL-GUDVDZBRSA-N 2 1 350.459 1.829 10 0 FDAEMP C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)C[N@H+]1C1CC1 ZINC000091863569 172289008 /nfs/dbraw/zinc/28/90/08/172289008.db2.gz WWNOTBVRFGFMHH-LMMKCTJWSA-N 2 1 363.550 1.423 10 0 FDAEMP C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000091863569 172289010 /nfs/dbraw/zinc/28/90/10/172289010.db2.gz WWNOTBVRFGFMHH-LMMKCTJWSA-N 2 1 363.550 1.423 10 0 FDAEMP C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000091863569 172289013 /nfs/dbraw/zinc/28/90/13/172289013.db2.gz WWNOTBVRFGFMHH-LMMKCTJWSA-N 2 1 363.550 1.423 10 0 FDAEMP C[C@H](NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000091863573 172289953 /nfs/dbraw/zinc/28/99/53/172289953.db2.gz IRIWFCJOCMAQAL-ROUUACIJSA-N 2 1 367.582 1.774 10 0 FDAEMP CN1CCO[C@@H](CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000104797381 172386964 /nfs/dbraw/zinc/38/69/64/172386964.db2.gz ZXBTWVJIODOCJZ-FQEVSTJZSA-N 2 1 374.529 1.871 10 0 FDAEMP CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000150787200 173381015 /nfs/dbraw/zinc/38/10/15/173381015.db2.gz KJTGYVILCOKCDE-YOEHRIQHSA-N 2 1 355.442 1.656 10 0 FDAEMP C[C@@H]1CN(C(=O)NCc2ccccc2-n2ccnc2)C[C@@H]1[NH+]1CCOCC1 ZINC000175715071 174021932 /nfs/dbraw/zinc/02/19/32/174021932.db2.gz ATNVCLOBPKZJAI-APWZRJJASA-N 2 1 369.469 1.734 10 0 FDAEMP Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000175880965 174034603 /nfs/dbraw/zinc/03/46/03/174034603.db2.gz CMDXVVBKAHMZBZ-INIZCTEOSA-N 2 1 363.510 1.089 10 0 FDAEMP Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000175880965 174034606 /nfs/dbraw/zinc/03/46/06/174034606.db2.gz CMDXVVBKAHMZBZ-INIZCTEOSA-N 2 1 363.510 1.089 10 0 FDAEMP COc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc2c1OCCO2 ZINC000179515946 258352434 /nfs/dbraw/zinc/35/24/34/258352434.db2.gz SVUFAANLOSUXTI-HNNXBMFYSA-N 2 1 364.486 1.991 10 0 FDAEMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000173950132 258315067 /nfs/dbraw/zinc/31/50/67/258315067.db2.gz KLVFOZNTVCAART-CVEARBPZSA-N 2 1 359.470 1.450 10 0 FDAEMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000173950132 258315068 /nfs/dbraw/zinc/31/50/68/258315068.db2.gz KLVFOZNTVCAART-CVEARBPZSA-N 2 1 359.470 1.450 10 0 FDAEMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000173950132 258315069 /nfs/dbraw/zinc/31/50/69/258315069.db2.gz KLVFOZNTVCAART-CVEARBPZSA-N 2 1 359.470 1.450 10 0 FDAEMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000173950132 258315070 /nfs/dbraw/zinc/31/50/70/258315070.db2.gz KLVFOZNTVCAART-CVEARBPZSA-N 2 1 359.470 1.450 10 0 FDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000184985661 258384863 /nfs/dbraw/zinc/38/48/63/258384863.db2.gz DBEOOCITHDGKEF-LJQANCHMSA-N 2 1 362.518 1.736 10 0 FDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000184985661 258384864 /nfs/dbraw/zinc/38/48/64/258384864.db2.gz DBEOOCITHDGKEF-LJQANCHMSA-N 2 1 362.518 1.736 10 0 FDAEMP Cc1cccc2nc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc(=O)n12 ZINC000329205534 259084079 /nfs/dbraw/zinc/08/40/79/259084079.db2.gz ZIRPLKNPQMIFCU-MRXNPFEDSA-N 2 1 358.486 1.528 10 0 FDAEMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1 ZINC000333754088 259377902 /nfs/dbraw/zinc/37/79/02/259377902.db2.gz ZMDGGDGSZPJBEU-SCTDSRPQSA-N 2 1 364.465 1.484 10 0 FDAEMP CC(C)[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000172125067 524124689 /nfs/dbraw/zinc/12/46/89/524124689.db2.gz PVZXUQQRWJSQOO-UHFFFAOYSA-N 2 1 362.522 1.510 10 0 FDAEMP CC(C)[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CC1 ZINC000172125067 524124695 /nfs/dbraw/zinc/12/46/95/524124695.db2.gz PVZXUQQRWJSQOO-UHFFFAOYSA-N 2 1 362.522 1.510 10 0 FDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000172251424 524179874 /nfs/dbraw/zinc/17/98/74/524179874.db2.gz YKGDSXPANFXXPU-VQIMIIECSA-N 2 1 357.502 1.924 10 0 FDAEMP COCC[N@@H+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC000172320484 524200409 /nfs/dbraw/zinc/20/04/09/524200409.db2.gz ULIHPQIYPNOBMN-CABCVRRESA-N 2 1 354.520 1.713 10 0 FDAEMP COCC[N@H+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@H]1C ZINC000172320484 524200419 /nfs/dbraw/zinc/20/04/19/524200419.db2.gz ULIHPQIYPNOBMN-CABCVRRESA-N 2 1 354.520 1.713 10 0 FDAEMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000115826501 525070500 /nfs/dbraw/zinc/07/05/00/525070500.db2.gz DHNKPRYNLMONAO-SFHVURJKSA-N 2 1 362.522 1.512 10 0 FDAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000115826501 525070512 /nfs/dbraw/zinc/07/05/12/525070512.db2.gz DHNKPRYNLMONAO-SFHVURJKSA-N 2 1 362.522 1.512 10 0 FDAEMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000115826501 525070522 /nfs/dbraw/zinc/07/05/22/525070522.db2.gz DHNKPRYNLMONAO-SFHVURJKSA-N 2 1 362.522 1.512 10 0 FDAEMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000115826501 525070533 /nfs/dbraw/zinc/07/05/33/525070533.db2.gz DHNKPRYNLMONAO-SFHVURJKSA-N 2 1 362.522 1.512 10 0 FDAEMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000176867967 525190079 /nfs/dbraw/zinc/19/00/79/525190079.db2.gz DOVNYEKUGUOVLY-QZTJIDSGSA-N 2 1 373.541 1.984 10 0 FDAEMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000176867967 525190087 /nfs/dbraw/zinc/19/00/87/525190087.db2.gz DOVNYEKUGUOVLY-QZTJIDSGSA-N 2 1 373.541 1.984 10 0 FDAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](CCOCC)[C@H](CC)C2)C1 ZINC000117038203 525274948 /nfs/dbraw/zinc/27/49/48/525274948.db2.gz ZTTDJRUZXONPLL-QZTJIDSGSA-N 2 1 354.539 1.861 10 0 FDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](CCOCC)[C@H](CC)C2)C1 ZINC000117038203 525274955 /nfs/dbraw/zinc/27/49/55/525274955.db2.gz ZTTDJRUZXONPLL-QZTJIDSGSA-N 2 1 354.539 1.861 10 0 FDAEMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](CCOCC)[C@H](CC)C2)C1 ZINC000117038203 525274958 /nfs/dbraw/zinc/27/49/58/525274958.db2.gz ZTTDJRUZXONPLL-QZTJIDSGSA-N 2 1 354.539 1.861 10 0 FDAEMP CC(C)[C@H](CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000163093523 525359248 /nfs/dbraw/zinc/35/92/48/525359248.db2.gz SLOFYVRMGCOAKL-BZSNNMDCSA-N 2 1 353.555 1.286 10 0 FDAEMP CC(C)[C@H](CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000163093523 525359254 /nfs/dbraw/zinc/35/92/54/525359254.db2.gz SLOFYVRMGCOAKL-BZSNNMDCSA-N 2 1 353.555 1.286 10 0 FDAEMP CC(C)[C@H](CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000163093523 525359263 /nfs/dbraw/zinc/35/92/63/525359263.db2.gz SLOFYVRMGCOAKL-BZSNNMDCSA-N 2 1 353.555 1.286 10 0 FDAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000106126335 525621901 /nfs/dbraw/zinc/62/19/01/525621901.db2.gz YFIDOVWBLWRIAT-OAHLLOKOSA-N 2 1 367.921 1.981 10 0 FDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000182023661 526025065 /nfs/dbraw/zinc/02/50/65/526025065.db2.gz ZWJXDHIAKVDTSF-MSOLQXFVSA-N 2 1 354.539 1.453 10 0 FDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000182023661 526025074 /nfs/dbraw/zinc/02/50/74/526025074.db2.gz ZWJXDHIAKVDTSF-MSOLQXFVSA-N 2 1 354.539 1.453 10 0 FDAEMP Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cn1 ZINC000109659121 526157893 /nfs/dbraw/zinc/15/78/93/526157893.db2.gz SHNGTUVJHHMFIY-UHFFFAOYSA-N 2 1 355.486 1.830 10 0 FDAEMP Cn1cc(C[N@H+]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cn1 ZINC000109659121 526157901 /nfs/dbraw/zinc/15/79/01/526157901.db2.gz SHNGTUVJHHMFIY-UHFFFAOYSA-N 2 1 355.486 1.830 10 0 FDAEMP CC[C@@H]1CN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000184843238 536187089 /nfs/dbraw/zinc/18/70/89/536187089.db2.gz MANVCXRUKUSHEV-RTBURBONSA-N 2 1 368.566 1.985 10 0 FDAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@@H]1C ZINC000186365428 536233144 /nfs/dbraw/zinc/23/31/44/536233144.db2.gz PLVPZDCDTXBWPR-DLBZAZTESA-N 2 1 366.550 1.880 10 0 FDAEMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246287914 536917942 /nfs/dbraw/zinc/91/79/42/536917942.db2.gz IGQBQFMFKFFAAK-FQEVSTJZSA-N 2 1 356.514 1.419 10 0 FDAEMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000246287914 536917946 /nfs/dbraw/zinc/91/79/46/536917946.db2.gz IGQBQFMFKFFAAK-FQEVSTJZSA-N 2 1 356.514 1.419 10 0 FDAEMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@@H+]4CCC[C@H]4C3)CC2)c1 ZINC000246310080 536924000 /nfs/dbraw/zinc/92/40/00/536924000.db2.gz JTKLNZKAAQRNQS-FQEVSTJZSA-N 2 1 356.514 1.419 10 0 FDAEMP Cc1cccc(C[NH+]2CCN(C(=O)CN3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000246310080 536924003 /nfs/dbraw/zinc/92/40/03/536924003.db2.gz JTKLNZKAAQRNQS-FQEVSTJZSA-N 2 1 356.514 1.419 10 0 FDAEMP CC[C@@H]1CN(C(=O)C2CCN(c3ccc(C)cn3)CC2)CC[N@H+]1C[C@H](C)O ZINC000246699899 537006839 /nfs/dbraw/zinc/00/68/39/537006839.db2.gz CBGMJMMJGKFJAY-PKOBYXMFSA-N 2 1 374.529 1.910 10 0 FDAEMP CC[C@@H]1CN(C(=O)C2CCN(c3ccc(C)cn3)CC2)CCN1C[C@H](C)O 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/nfs/dbraw/zinc/12/71/97/537127197.db2.gz NXWDTIIZJVLITB-ICSRJNTNSA-N 2 1 371.529 1.687 10 0 FDAEMP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000247502742 537127201 /nfs/dbraw/zinc/12/72/01/537127201.db2.gz NXWDTIIZJVLITB-ICSRJNTNSA-N 2 1 371.529 1.687 10 0 FDAEMP C[N@@H+](C[C@@H](O)Cn1cccn1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000247875354 537155401 /nfs/dbraw/zinc/15/54/01/537155401.db2.gz YKZWUWRXTLAUIS-RTWAWAEBSA-N 2 1 372.513 1.621 10 0 FDAEMP CC[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1C[C@H](C)O ZINC000248429711 537180782 /nfs/dbraw/zinc/18/07/82/537180782.db2.gz ALFCLPFPEDWBSL-MAUKXSAKSA-N 2 1 352.523 1.347 10 0 FDAEMP CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC[N@H+]1C[C@H](C)O ZINC000248433621 537180993 /nfs/dbraw/zinc/18/09/93/537180993.db2.gz DDWJANUDDVTJHV-OKZBNKHCSA-N 2 1 354.539 1.593 10 0 FDAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000248445634 537183150 /nfs/dbraw/zinc/18/31/50/537183150.db2.gz 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1.577 10 0 FDAEMP Cc1[nH+]ccn1-c1cncc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000092896451 524931998 /nfs/dbraw/zinc/93/19/98/524931998.db2.gz PXHPUWFTIPKYRZ-QGZVFWFLSA-N 2 1 355.490 1.577 10 0 FDAEMP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000115818755 525067105 /nfs/dbraw/zinc/06/71/05/525067105.db2.gz QVEZBMXROYWPGS-MRXNPFEDSA-N 2 1 350.511 1.368 10 0 FDAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000115818755 525067115 /nfs/dbraw/zinc/06/71/15/525067115.db2.gz QVEZBMXROYWPGS-MRXNPFEDSA-N 2 1 350.511 1.368 10 0 FDAEMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000115818755 525067121 /nfs/dbraw/zinc/06/71/21/525067121.db2.gz QVEZBMXROYWPGS-MRXNPFEDSA-N 2 1 350.511 1.368 10 0 FDAEMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000115818755 525067133 /nfs/dbraw/zinc/06/71/33/525067133.db2.gz QVEZBMXROYWPGS-MRXNPFEDSA-N 2 1 350.511 1.368 10 0 FDAEMP C[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@@H+]1CCc2sccc2C1 ZINC000117034582 525271517 /nfs/dbraw/zinc/27/15/17/525271517.db2.gz UMSMVIPSCDDIHX-HOCLYGCPSA-N 2 1 366.531 1.467 10 0 FDAEMP C[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@H+]1CCc2sccc2C1 ZINC000117034582 525271528 /nfs/dbraw/zinc/27/15/28/525271528.db2.gz UMSMVIPSCDDIHX-HOCLYGCPSA-N 2 1 366.531 1.467 10 0 FDAEMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCOCC)[C@H](CC)C2)C1 ZINC000117038206 525275874 /nfs/dbraw/zinc/27/58/74/525275874.db2.gz ZTTDJRUZXONPLL-ZWKOTPCHSA-N 2 1 354.539 1.861 10 0 FDAEMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+](CCOCC)[C@H](CC)C2)C1 ZINC000117038206 525275884 /nfs/dbraw/zinc/27/58/84/525275884.db2.gz ZTTDJRUZXONPLL-ZWKOTPCHSA-N 2 1 354.539 1.861 10 0 FDAEMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+](CCOCC)[C@H](CC)C2)C1 ZINC000117038206 525275896 /nfs/dbraw/zinc/27/58/96/525275896.db2.gz ZTTDJRUZXONPLL-ZWKOTPCHSA-N 2 1 354.539 1.861 10 0 FDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000154573474 525577817 /nfs/dbraw/zinc/57/78/17/525577817.db2.gz NYTWMKINIARQEH-GUYCJALGSA-N 2 1 355.442 1.782 10 0 FDAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000154573474 525577822 /nfs/dbraw/zinc/57/78/22/525577822.db2.gz NYTWMKINIARQEH-GUYCJALGSA-N 2 1 355.442 1.782 10 0 FDAEMP C[N@@H+](CCN1C(=O)CCC1=O)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128351 525621664 /nfs/dbraw/zinc/62/16/64/525621664.db2.gz JAUOSPDKAMNNRM-IBGZPJMESA-N 2 1 373.497 1.513 10 0 FDAEMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000181715517 525902980 /nfs/dbraw/zinc/90/29/80/525902980.db2.gz JKGPZVCDCOORIM-MRXNPFEDSA-N 2 1 354.539 1.595 10 0 FDAEMP CCC(CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171899982 526170589 /nfs/dbraw/zinc/17/05/89/526170589.db2.gz SIEVJSKUVCDJCJ-QZTJIDSGSA-N 2 1 352.523 1.613 10 0 FDAEMP CCC(CC)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171899982 526170598 /nfs/dbraw/zinc/17/05/98/526170598.db2.gz SIEVJSKUVCDJCJ-QZTJIDSGSA-N 2 1 352.523 1.613 10 0 FDAEMP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000171901234 526174412 /nfs/dbraw/zinc/17/44/12/526174412.db2.gz NXWDTIIZJVLITB-UYAOXDASSA-N 2 1 371.529 1.687 10 0 FDAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000171901234 526174426 /nfs/dbraw/zinc/17/44/26/526174426.db2.gz NXWDTIIZJVLITB-UYAOXDASSA-N 2 1 371.529 1.687 10 0 FDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000184829407 536186336 /nfs/dbraw/zinc/18/63/36/536186336.db2.gz UHCNYRIRSPVJFN-RTBURBONSA-N 2 1 368.566 1.841 10 0 FDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000184834601 536186674 /nfs/dbraw/zinc/18/66/74/536186674.db2.gz SIUMKWCNHVBFAJ-GOSISDBHSA-N 2 1 354.539 1.739 10 0 FDAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000184834601 536186676 /nfs/dbraw/zinc/18/66/76/536186676.db2.gz SIUMKWCNHVBFAJ-GOSISDBHSA-N 2 1 354.539 1.739 10 0 FDAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000263217441 536994425 /nfs/dbraw/zinc/99/44/25/536994425.db2.gz LCIPREZZLFYMPR-JOYOIKCWSA-N 2 1 364.081 1.882 10 0 FDAEMP [NH3+]CC1(c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)CCOCC1 ZINC000263279461 537007850 /nfs/dbraw/zinc/00/78/50/537007850.db2.gz UAGCCFSUQMSPGD-UHFFFAOYSA-N 2 1 358.442 1.576 10 0 FDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000246912466 537050178 /nfs/dbraw/zinc/05/01/78/537050178.db2.gz IJRGOJIJOWKTQR-RLLQIKCJSA-N 2 1 357.498 1.973 10 0 FDAEMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246912466 537050181 /nfs/dbraw/zinc/05/01/81/537050181.db2.gz IJRGOJIJOWKTQR-RLLQIKCJSA-N 2 1 357.498 1.973 10 0 FDAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000246912466 537050184 /nfs/dbraw/zinc/05/01/84/537050184.db2.gz IJRGOJIJOWKTQR-RLLQIKCJSA-N 2 1 357.498 1.973 10 0 FDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000246912466 537050186 /nfs/dbraw/zinc/05/01/86/537050186.db2.gz IJRGOJIJOWKTQR-RLLQIKCJSA-N 2 1 357.498 1.973 10 0 FDAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000246912466 537050189 /nfs/dbraw/zinc/05/01/89/537050189.db2.gz IJRGOJIJOWKTQR-RLLQIKCJSA-N 2 1 357.498 1.973 10 0 FDAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000247313893 537106224 /nfs/dbraw/zinc/10/62/24/537106224.db2.gz OFYCMMHGIYNRHL-WMZOPIPTSA-N 2 1 372.517 1.212 10 0 FDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC000248585063 537194420 /nfs/dbraw/zinc/19/44/20/537194420.db2.gz FZEKOYIGUIXTAN-BQFCYCMXSA-N 2 1 354.539 1.593 10 0 FDAEMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC000248615196 537197133 /nfs/dbraw/zinc/19/71/33/537197133.db2.gz LUUSBIZIULRQEE-SQNIBIBYSA-N 2 1 354.539 1.738 10 0 FDAEMP C[C@H](O)C[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC000248615196 537197135 /nfs/dbraw/zinc/19/71/35/537197135.db2.gz LUUSBIZIULRQEE-SQNIBIBYSA-N 2 1 354.539 1.738 10 0 FDAEMP 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537247135 /nfs/dbraw/zinc/24/71/35/537247135.db2.gz KNOXHMWRIARQFA-HUUCEWRRSA-N 2 1 352.504 1.062 10 0 FDAEMP O=C(CC[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1)N1CC[NH2+]CC1 ZINC000262053091 537253811 /nfs/dbraw/zinc/25/38/11/537253811.db2.gz IMIYUTIHIDBJKA-LBPRGKRZSA-N 2 1 359.396 1.430 10 0 FDAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)[nH+]1 ZINC000252651818 672593865 /nfs/dbraw/zinc/59/38/65/672593865.db2.gz IWFFXFQMSVOZRC-IAGOWNOFSA-N 2 1 366.531 1.795 10 0 FDAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)[nH+]1 ZINC000252651818 672593871 /nfs/dbraw/zinc/59/38/71/672593871.db2.gz IWFFXFQMSVOZRC-IAGOWNOFSA-N 2 1 366.531 1.795 10 0 FDAEMP CS(=O)(=O)Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261950039 672700007 /nfs/dbraw/zinc/70/00/07/672700007.db2.gz OBUSVVWQGGYOFF-GVDBMIGSSA-N 2 1 353.488 1.305 10 0 FDAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCN(Cc3cnn(C)c3)CC2)CC1 ZINC000191485617 178057950 /nfs/dbraw/zinc/05/79/50/178057950.db2.gz LQODZWOZYHRLHA-UHFFFAOYSA-N 2 1 362.566 1.344 10 0 FDAEMP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000245477599 178360888 /nfs/dbraw/zinc/36/08/88/178360888.db2.gz UNJIJLKNDXBXMR-WMZOPIPTSA-N 2 1 352.523 1.754 10 0 FDAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246753477 178448450 /nfs/dbraw/zinc/44/84/50/178448450.db2.gz MCNHBNDIDSKXBB-NUJGCVRESA-N 2 1 350.507 1.365 10 0 FDAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000263150651 178868226 /nfs/dbraw/zinc/86/82/26/178868226.db2.gz DAVAWKLUWWIVNT-YPMHNXCESA-N 2 1 357.248 1.280 10 0 FDAEMP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172576096 258280082 /nfs/dbraw/zinc/28/00/82/258280082.db2.gz XGTAXVVSDQCIQP-IRXDYDNUSA-N 2 1 371.481 1.594 10 0 FDAEMP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172576096 258280083 /nfs/dbraw/zinc/28/00/83/258280083.db2.gz XGTAXVVSDQCIQP-IRXDYDNUSA-N 2 1 371.481 1.594 10 0 FDAEMP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](CNc3ccccn3)C2)C1 ZINC000151102782 173390453 /nfs/dbraw/zinc/39/04/53/173390453.db2.gz HWTDNESAVMTLFJ-SJORKVTESA-N 2 1 374.485 1.617 10 0 FDAEMP CCOC(=O)[C@H]1CCCN(C(=O)CN2CC[C@H](CNc3ccccn3)C2)C1 ZINC000151102782 173390454 /nfs/dbraw/zinc/39/04/54/173390454.db2.gz HWTDNESAVMTLFJ-SJORKVTESA-N 2 1 374.485 1.617 10 0 FDAEMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179316438 258348504 /nfs/dbraw/zinc/34/85/04/258348504.db2.gz OIEKGLCEIOVTJG-SFHVURJKSA-N 2 1 362.522 1.392 10 0 FDAEMP C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)[C@@H](C[NH3+])C1 ZINC000333838099 259386183 /nfs/dbraw/zinc/38/61/83/259386183.db2.gz UOMYSFOUOAULQE-KYHPRHEASA-N 2 1 362.522 1.572 10 0 FDAEMP COCC[N@@H+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC000172320489 524199467 /nfs/dbraw/zinc/19/94/67/524199467.db2.gz ULIHPQIYPNOBMN-GJZGRUSLSA-N 2 1 354.520 1.713 10 0 FDAEMP COCC[N@H+]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@@H]1C ZINC000172320489 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