smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2 ZINC000102393365 219199877 /nfs/dbraw/zinc/19/98/77/219199877.db2.gz VBIGHTCLRHISHE-HTBDUDNFSA-N 1 1 330.476 1.653 50 0 EDAAMO CCNC(=O)[C@@]12C[N@@H+](Cc3nc4ccccc4o3)C[C@@H]1COCC2 ZINC000685940917 539578281 /nfs/dbraw/zinc/57/82/81/539578281.db2.gz ZYMWDFOFJJDYTD-ACJLOTCBSA-N 1 1 329.400 1.802 50 0 EDAAMO Cc1noc([C@]23CN(Cc4nc(C)c(C)[nH]4)C[C@H]2C[N@@H+](C)CC3)n1 ZINC000685940860 539578620 /nfs/dbraw/zinc/57/86/20/539578620.db2.gz XQJAZRPNGZBUOP-RHSMWYFYSA-N 1 1 330.436 1.423 50 0 EDAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CC(c2ccccc2F)=NO1 ZINC000020328140 202037912 /nfs/dbraw/zinc/03/79/12/202037912.db2.gz RUDNQHXUQYWDAC-MRXNPFEDSA-N 1 1 335.379 1.157 50 0 EDAAMO Cc1ccc(NC(=O)CN2CC[NH+](C)CC2)c(Br)c1 ZINC000020389418 202040192 /nfs/dbraw/zinc/04/01/92/202040192.db2.gz XCMCEIFGBXLIIE-UHFFFAOYSA-N 1 1 326.238 1.943 50 0 EDAAMO OCC[C@@H]1C[N@@H+](CCCn2cccn2)CCN1Cc1ccccc1F ZINC000020601595 202050589 /nfs/dbraw/zinc/05/05/89/202050589.db2.gz AZBOOEUTSOHFIS-GOSISDBHSA-N 1 1 346.450 1.981 50 0 EDAAMO COc1cc(CC(=O)N[C@@H]2C[NH+]3CCC2CC3)c(C(C)=O)cc1OC ZINC000020864003 202056446 /nfs/dbraw/zinc/05/64/46/202056446.db2.gz HTLVRGKSIKIJGQ-MRXNPFEDSA-N 1 1 346.427 1.659 50 0 EDAAMO S=C(NCCC[NH+]1CCOCC1)N1CCn2c3ccccc3nc21 ZINC000024133963 202113693 /nfs/dbraw/zinc/11/36/93/202113693.db2.gz QXOSVABHLBMTHU-UHFFFAOYSA-N 1 1 345.472 1.453 50 0 EDAAMO O=c1n(CN2CC[NH+](Cc3cccs3)CC2)nc2ccccn21 ZINC000028706529 202175950 /nfs/dbraw/zinc/17/59/50/202175950.db2.gz WCKIJWDMFZBUKS-UHFFFAOYSA-N 1 1 329.429 1.333 50 0 EDAAMO CN1N=C(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCC1=O ZINC000029840669 202190806 /nfs/dbraw/zinc/19/08/06/202190806.db2.gz FDWIPFDMPWCNJV-UHFFFAOYSA-N 1 1 328.416 1.159 50 0 EDAAMO CCOC(=O)CCC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000032931173 202242797 /nfs/dbraw/zinc/24/27/97/202242797.db2.gz UWKZTNSPRRAKEC-UHFFFAOYSA-N 1 1 333.432 1.716 50 0 EDAAMO O=C([O-])c1cc2c([nH+]c1N1CC[C@](O)(C[NH+]3CCCCC3)C1)CCC2 ZINC000077505943 295989387 /nfs/dbraw/zinc/98/93/87/295989387.db2.gz NXLFHHBCYUYTHN-IBGZPJMESA-N 1 1 345.443 1.696 50 0 EDAAMO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CCCS(=O)(=O)N(C)C)n1 ZINC000069901031 202296864 /nfs/dbraw/zinc/29/68/64/202296864.db2.gz SLLPRSBUVXHKKB-MRXNPFEDSA-N 1 1 342.509 1.636 50 0 EDAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000069897220 202296925 /nfs/dbraw/zinc/29/69/25/202296925.db2.gz DMZMESXZSXERBS-SJORKVTESA-N 1 1 340.427 1.482 50 0 EDAAMO O[C@H](COc1ccc(F)cc1)C[N@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000071876296 202351536 /nfs/dbraw/zinc/35/15/36/202351536.db2.gz GVMYEGUCTUAROH-CVEARBPZSA-N 1 1 334.395 1.712 50 0 EDAAMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCc2ccccn2)CC1 ZINC000072274170 216098533 /nfs/dbraw/zinc/09/85/33/216098533.db2.gz KQNKEBZMJAGOGP-CALCHBBNSA-N 1 1 345.491 1.782 50 0 EDAAMO C[N@@H+](Cc1cccc(C(N)=O)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000072276668 202360439 /nfs/dbraw/zinc/36/04/39/202360439.db2.gz JXAYBSSVOYVESY-INIZCTEOSA-N 1 1 325.416 1.676 50 0 EDAAMO CC(=O)N1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000075900787 202379699 /nfs/dbraw/zinc/37/96/99/202379699.db2.gz DTLQXUASPNGXBG-RDTXWAMCSA-N 1 1 347.434 1.899 50 0 EDAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)CCc3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000072431459 216223310 /nfs/dbraw/zinc/22/33/10/216223310.db2.gz NIYRHPYCRILYLZ-GASCZTMLSA-N 1 1 334.464 1.453 50 0 EDAAMO O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000057553537 201140209 /nfs/dbraw/zinc/14/02/09/201140209.db2.gz PBNRPWSXWNPDFT-CYBMUJFWSA-N 1 1 340.427 1.599 50 0 EDAAMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3c[nH]c4ccccc34)C[C@@](C)(C1)[C@@H]2O ZINC000252448852 201184257 /nfs/dbraw/zinc/18/42/57/201184257.db2.gz ZWXXWQXGNIKCTR-REPLKXPHSA-N 1 1 327.428 1.943 50 0 EDAAMO C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069926438 201166644 /nfs/dbraw/zinc/16/66/44/201166644.db2.gz ATMORZMTFGEGMM-WMZOPIPTSA-N 1 1 341.459 1.738 50 0 EDAAMO Cc1ccc(NC[C@@H]2CC[N@@H+](CCC(=O)N3CCOCC3)C2)nc1 ZINC000097200831 201382840 /nfs/dbraw/zinc/38/28/40/201382840.db2.gz DGCSBCLJRKJKND-INIZCTEOSA-N 1 1 332.448 1.373 50 0 EDAAMO COCCn1cc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000044972996 202540738 /nfs/dbraw/zinc/54/07/38/202540738.db2.gz MEILZNXKCWGHRN-UHFFFAOYSA-N 1 1 343.431 1.879 50 0 EDAAMO CN1CCN(CCOc2ccccc2C[N@H+](C)C2CCOCC2)CC1 ZINC000215254948 241114927 /nfs/dbraw/zinc/11/49/27/241114927.db2.gz GMUPFJVHACEJMG-UHFFFAOYSA-N 1 1 347.503 1.924 50 0 EDAAMO CN1CCN(CCOc2ccccc2C[N@@H+](C)C2CCOCC2)CC1 ZINC000215254948 241114934 /nfs/dbraw/zinc/11/49/34/241114934.db2.gz GMUPFJVHACEJMG-UHFFFAOYSA-N 1 1 347.503 1.924 50 0 EDAAMO C[N@H+](CCN1CCCCC1=O)Cc1cnc(-c2ccccn2)nc1 ZINC000216255881 241177998 /nfs/dbraw/zinc/17/79/98/241177998.db2.gz JCJKFMLYKPRZLX-UHFFFAOYSA-N 1 1 325.416 1.983 50 0 EDAAMO C[N@@H+](CCN1CCCCC1=O)Cc1cnc(-c2ccccn2)nc1 ZINC000216255881 241178003 /nfs/dbraw/zinc/17/80/03/241178003.db2.gz JCJKFMLYKPRZLX-UHFFFAOYSA-N 1 1 325.416 1.983 50 0 EDAAMO C[N@H+]1CCN(Cc2cccc(OCCN3CCOCC3)c2)CC1(C)C ZINC000216310596 241180259 /nfs/dbraw/zinc/18/02/59/241180259.db2.gz HCBFMASCWFTPCY-UHFFFAOYSA-N 1 1 347.503 1.924 50 0 EDAAMO CN1CC[N@H+](Cc2cccc(OCCN3CCOCC3)c2)CC1(C)C ZINC000216310596 241180262 /nfs/dbraw/zinc/18/02/62/241180262.db2.gz HCBFMASCWFTPCY-UHFFFAOYSA-N 1 1 347.503 1.924 50 0 EDAAMO CN1CC[N@@H+](Cc2cccc(OCCN3CCOCC3)c2)CC1(C)C ZINC000216310596 241180268 /nfs/dbraw/zinc/18/02/68/241180268.db2.gz HCBFMASCWFTPCY-UHFFFAOYSA-N 1 1 347.503 1.924 50 0 EDAAMO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)COCc1ccco1 ZINC000229745071 242193617 /nfs/dbraw/zinc/19/36/17/242193617.db2.gz HLKGWULWVBGSGE-AEFFLSMTSA-N 1 1 344.411 1.330 50 0 EDAAMO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)COCc1ccco1 ZINC000229745071 242193623 /nfs/dbraw/zinc/19/36/23/242193623.db2.gz HLKGWULWVBGSGE-AEFFLSMTSA-N 1 1 344.411 1.330 50 0 EDAAMO CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000229756867 242196745 /nfs/dbraw/zinc/19/67/45/242196745.db2.gz HYTDULOKRGGCRQ-STQMWFEESA-N 1 1 338.433 1.233 50 0 EDAAMO CN(CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(=O)c1cccs1 ZINC000229892627 242213478 /nfs/dbraw/zinc/21/34/78/242213478.db2.gz MFVGPWFCKRXIBA-ZIAGYGMSSA-N 1 1 335.473 1.763 50 0 EDAAMO C[NH+]1CCN(NC(=O)c2cccc(OC(F)(F)C(F)F)c2)CC1 ZINC000003184040 201558825 /nfs/dbraw/zinc/55/88/25/201558825.db2.gz BCXTYOYMULYMSJ-UHFFFAOYSA-N 1 1 335.301 1.816 50 0 EDAAMO Cn1c(CN2CCN(Cc3ccccc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244787923 243080738 /nfs/dbraw/zinc/08/07/38/243080738.db2.gz QGIWFNXMRPWECY-CALCHBBNSA-N 1 1 340.475 1.338 50 0 EDAAMO Cc1occc1C(=O)NC1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000067230013 202909484 /nfs/dbraw/zinc/90/94/84/202909484.db2.gz CYHFPRIXWNXRKI-HNNXBMFYSA-N 1 1 349.431 1.077 50 0 EDAAMO C[C@@H]1CCC[C@H](NC(=O)CN(C)CC2CC[NH+](CCO)CC2)[C@@H]1C ZINC000069668398 203035511 /nfs/dbraw/zinc/03/55/11/203035511.db2.gz OXEKQOJMDFZNEQ-NUJGCVRESA-N 1 1 339.524 1.563 50 0 EDAAMO CN(CC1CC1)C(=O)C[N@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000069588294 203023454 /nfs/dbraw/zinc/02/34/54/203023454.db2.gz JVGZZJXJHHNXCB-UHFFFAOYSA-N 1 1 341.459 1.943 50 0 EDAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)CC[C@@H]3CCCO3)CC2)cn1 ZINC000069616452 203026800 /nfs/dbraw/zinc/02/68/00/203026800.db2.gz WCLHXPAVDLGZCI-KRWDZBQOSA-N 1 1 334.464 1.897 50 0 EDAAMO CCn1cc(C[N@H+]2CCCN(C(=O)CC[C@@H]3CCCO3)CC2)cn1 ZINC000069616452 203026804 /nfs/dbraw/zinc/02/68/04/203026804.db2.gz WCLHXPAVDLGZCI-KRWDZBQOSA-N 1 1 334.464 1.897 50 0 EDAAMO CCOCC[NH+]1CCN(Cc2nc(Cc3ccccc3)no2)CC1 ZINC000069627431 203029116 /nfs/dbraw/zinc/02/91/16/203029116.db2.gz PAKKXCRYGZMGGZ-UHFFFAOYSA-N 1 1 330.432 1.815 50 0 EDAAMO Cn1c(Cl)c(Cl)cc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000069622868 203029419 /nfs/dbraw/zinc/02/94/19/203029419.db2.gz ZPSFZLRAWFHBCJ-SNVBAGLBSA-N 1 1 347.246 1.402 50 0 EDAAMO CC(C)c1noc([C@@H](C)N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)n1 ZINC000069630461 203030921 /nfs/dbraw/zinc/03/09/21/203030921.db2.gz OXCXONKWCBMCKP-CABCVRRESA-N 1 1 348.451 1.129 50 0 EDAAMO C[C@@H](O)C[NH+]1CCN(CC(=O)N(Cc2ccccc2F)C2CC2)CC1 ZINC000069652343 203032474 /nfs/dbraw/zinc/03/24/74/203032474.db2.gz RGUFRMANIPRHEW-OAHLLOKOSA-N 1 1 349.450 1.315 50 0 EDAAMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(F)cc(F)c1 ZINC000069485142 203006839 /nfs/dbraw/zinc/00/68/39/203006839.db2.gz BTGJKDWOCQGGAM-HNNXBMFYSA-N 1 1 339.386 1.637 50 0 EDAAMO C[C@H]1C[N@H+](Cc2cccc3c2OCCO3)CCN1Cc1nccn1C ZINC000069510974 203011855 /nfs/dbraw/zinc/01/18/55/203011855.db2.gz VATMBEQDOCDGIP-HNNXBMFYSA-N 1 1 342.443 1.898 50 0 EDAAMO C[C@H]1C[N@@H+](Cc2cccc3c2OCCO3)CCN1Cc1nccn1C ZINC000069510974 203011858 /nfs/dbraw/zinc/01/18/58/203011858.db2.gz VATMBEQDOCDGIP-HNNXBMFYSA-N 1 1 342.443 1.898 50 0 EDAAMO CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1 ZINC000069843775 203055349 /nfs/dbraw/zinc/05/53/49/203055349.db2.gz ULLDPMILCVTRIU-DLBZAZTESA-N 1 1 329.444 1.425 50 0 EDAAMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN1c2ccccc2SCC1=O ZINC000069843508 203055752 /nfs/dbraw/zinc/05/57/52/203055752.db2.gz CIHYWZXBPVDFDQ-UONOGXRCSA-N 1 1 345.468 1.820 50 0 EDAAMO Cc1nc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)oc1C ZINC000069875288 203059213 /nfs/dbraw/zinc/05/92/13/203059213.db2.gz GITRUJMMNGHFBS-QGZVFWFLSA-N 1 1 345.443 1.849 50 0 EDAAMO C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000069876682 203060006 /nfs/dbraw/zinc/06/00/06/203060006.db2.gz HPWRMENOHCSVIE-IEBWSBKVSA-N 1 1 344.503 1.937 50 0 EDAAMO OCCn1cc(CN2CC[NH+](CCOc3cccc(F)c3)CC2)cn1 ZINC000069950500 203065211 /nfs/dbraw/zinc/06/52/11/203065211.db2.gz GHXDWBKVAJOICM-UHFFFAOYSA-N 1 1 348.422 1.211 50 0 EDAAMO Cc1n[nH]c(C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1Br ZINC000069951095 203065685 /nfs/dbraw/zinc/06/56/85/203065685.db2.gz WNYSCSFQWKMNJN-UHFFFAOYSA-N 1 1 345.241 1.009 50 0 EDAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC000069969515 203066656 /nfs/dbraw/zinc/06/66/56/203066656.db2.gz QVVRWKNGDNPCLF-PKOBYXMFSA-N 1 1 346.471 1.648 50 0 EDAAMO CCOC[C@@H](O)C[NH+]1CCN(C(=O)c2cn(C)c3ccccc23)CC1 ZINC000069977919 203068012 /nfs/dbraw/zinc/06/80/12/203068012.db2.gz JRQQISJPLZCNGD-HNNXBMFYSA-N 1 1 345.443 1.334 50 0 EDAAMO Cc1cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c(C)n1-c1cccnc1 ZINC000069980747 203068581 /nfs/dbraw/zinc/06/85/81/203068581.db2.gz LCNOENVWPPJCMY-HNNXBMFYSA-N 1 1 342.443 1.628 50 0 EDAAMO COCC[N@@H+]1CCN(CC(=O)NCCc2ccc(F)cc2)C[C@H]1C ZINC000070016623 203070592 /nfs/dbraw/zinc/07/05/92/203070592.db2.gz SWGNDDHRLSQVKY-OAHLLOKOSA-N 1 1 337.439 1.137 50 0 EDAAMO COCC[N@H+]1CCN(CC(=O)NCCc2ccc(F)cc2)C[C@H]1C ZINC000070016623 203070595 /nfs/dbraw/zinc/07/05/95/203070595.db2.gz SWGNDDHRLSQVKY-OAHLLOKOSA-N 1 1 337.439 1.137 50 0 EDAAMO C[N@H+](CCO)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000070924387 203084283 /nfs/dbraw/zinc/08/42/83/203084283.db2.gz RARWHMNDEFFFAC-HNNXBMFYSA-N 1 1 334.416 1.436 50 0 EDAAMO C[N@@H+](CCO)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000070924387 203084284 /nfs/dbraw/zinc/08/42/84/203084284.db2.gz RARWHMNDEFFFAC-HNNXBMFYSA-N 1 1 334.416 1.436 50 0 EDAAMO CCCC(=O)NCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000071185648 203087899 /nfs/dbraw/zinc/08/78/99/203087899.db2.gz GFFPPCFAMJCORT-QGZVFWFLSA-N 1 1 331.460 1.931 50 0 EDAAMO CCc1[nH+]ccn1CCC(=O)N[C@H]1C[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000253534991 244007771 /nfs/dbraw/zinc/00/77/71/244007771.db2.gz AWWYLWMQKGMBEB-JOCQHMNTSA-N 1 1 329.404 1.702 50 0 EDAAMO CCN(C)S(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000071315475 203090814 /nfs/dbraw/zinc/09/08/14/203090814.db2.gz AQKFJDJBWBVKIE-KRWDZBQOSA-N 1 1 339.505 1.911 50 0 EDAAMO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000071376435 203093415 /nfs/dbraw/zinc/09/34/15/203093415.db2.gz XOJICPQAZNBGBA-ZBFHGGJFSA-N 1 1 338.473 1.999 50 0 EDAAMO 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COC[C@H](C)[NH+]1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000089912542 441594682 /nfs/dbraw/zinc/59/46/82/441594682.db2.gz LEWYNLJBRIRBJL-PKOBYXMFSA-N 1 1 345.487 1.830 50 0 EDAAMO c1ccc2nc(NC[C@H]([C@H]3CCOC3)[NH+]3CCOCC3)cnc2c1 ZINC000039555101 441618043 /nfs/dbraw/zinc/61/80/43/441618043.db2.gz DXIQPUFRSCXEOV-WMLDXEAASA-N 1 1 328.416 1.779 50 0 EDAAMO CCc1cc(N2Cc3cnn(CCO)c3C2)nc(N2CCCC2)[nH+]1 ZINC000067540507 441650391 /nfs/dbraw/zinc/65/03/91/441650391.db2.gz IKXUGXZHTBKQOU-UHFFFAOYSA-N 1 1 328.420 1.348 50 0 EDAAMO OCC[NH+]1CCN(Cc2cnc3c(-c4ccccc4)cnn3c2)CC1 ZINC000067642467 441662054 /nfs/dbraw/zinc/66/20/54/441662054.db2.gz JOMAVBHTZNAPPG-UHFFFAOYSA-N 1 1 337.427 1.506 50 0 EDAAMO CCc1nc(C)c(C[N@H+]2CC[C@@H](CNC(=O)c3cccnc3)C2)[nH]1 ZINC000067649540 441662940 /nfs/dbraw/zinc/66/29/40/441662940.db2.gz OJRXDFBEFQPYDF-AWEZNQCLSA-N 1 1 327.432 1.927 50 0 EDAAMO CC[N@H+]1CCO[C@@H](CCNC(=O)c2cc3ccccc3oc2=O)C1 ZINC000067851372 441688280 /nfs/dbraw/zinc/68/82/80/441688280.db2.gz SCSZUBHDVQFIDI-AWEZNQCLSA-N 1 1 330.384 1.634 50 0 EDAAMO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1C(=O)Cc1ccc2nc(C)[nH]c2c1 ZINC000067975181 441702913 /nfs/dbraw/zinc/70/29/13/441702913.db2.gz OMSOZZRJUFSAFK-CJNGLKHVSA-N 1 1 344.415 1.118 50 0 EDAAMO Cn1ccc(CN2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1=O ZINC000042112679 441706725 /nfs/dbraw/zinc/70/67/25/441706725.db2.gz YULSFBSQWGAFMP-UHFFFAOYSA-N 1 1 339.439 1.638 50 0 EDAAMO [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000091493123 441707323 /nfs/dbraw/zinc/70/73/23/441707323.db2.gz FHSFPDIGMUOXET-INIZCTEOSA-N 1 1 347.850 1.277 50 0 EDAAMO CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(N)nc1)CC2 ZINC000091504177 441707676 /nfs/dbraw/zinc/70/76/76/441707676.db2.gz ZQNUUCCESXZTME-UHFFFAOYSA-N 1 1 340.431 1.396 50 0 EDAAMO CN(C)[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)c1ccccc1F ZINC000091526330 441709395 /nfs/dbraw/zinc/70/93/95/441709395.db2.gz PKESUXVGTIUIHE-QGZVFWFLSA-N 1 1 336.455 1.182 50 0 EDAAMO CN(C)S(=O)(=O)N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091563511 441712894 /nfs/dbraw/zinc/71/28/94/441712894.db2.gz UXPHETXGXWXTQI-HNNXBMFYSA-N 1 1 349.460 1.312 50 0 EDAAMO CCn1c(=O)[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000067714580 441670971 /nfs/dbraw/zinc/67/09/71/441670971.db2.gz PTVZBOXJWWRLIE-HNNXBMFYSA-N 1 1 343.431 1.929 50 0 EDAAMO CC[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)nc2)CC[N@H+]1C(C)C ZINC000067740148 441675685 /nfs/dbraw/zinc/67/56/85/441675685.db2.gz YRRSBZRMWCXLBQ-QGZVFWFLSA-N 1 1 346.475 1.863 50 0 EDAAMO CN(CCSc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000091757175 441736603 /nfs/dbraw/zinc/73/66/03/441736603.db2.gz JSDHIIXKABUGEO-CQSZACIVSA-N 1 1 335.473 1.434 50 0 EDAAMO Cc1ccc(CC(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000056809146 441744063 /nfs/dbraw/zinc/74/40/63/441744063.db2.gz ZPMZBAIDRJUXNY-UHFFFAOYSA-N 1 1 343.471 1.741 50 0 EDAAMO Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N1CCC(c2nc(C(C)C)no2)CC1 ZINC000091817900 441745151 /nfs/dbraw/zinc/74/51/51/441745151.db2.gz AYFVIHNQHOEATP-AWEZNQCLSA-N 1 1 346.435 1.939 50 0 EDAAMO COCC[NH+]1CCN([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000042565595 441749846 /nfs/dbraw/zinc/74/98/46/441749846.db2.gz IKALOVDRBINJKN-NVXWUHKLSA-N 1 1 347.459 1.279 50 0 EDAAMO Cc1ccc([C@H]2C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]2N(C)C)o1 ZINC000091914919 441753129 /nfs/dbraw/zinc/75/31/29/441753129.db2.gz YASKSJRRPIXGDD-GJZGRUSLSA-N 1 1 343.493 1.199 50 0 EDAAMO Cc1ccc([C@H]2C[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]2N(C)C)o1 ZINC000091914919 441753134 /nfs/dbraw/zinc/75/31/34/441753134.db2.gz YASKSJRRPIXGDD-GJZGRUSLSA-N 1 1 343.493 1.199 50 0 EDAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(c1ccnc(N)n1)CC2 ZINC000091908467 441753763 /nfs/dbraw/zinc/75/37/63/441753763.db2.gz BOOKIWJFYMSWMK-UHFFFAOYSA-N 1 1 341.463 1.936 50 0 EDAAMO CC(C)c1nnc(C[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)o1 ZINC000091988396 441760616 /nfs/dbraw/zinc/76/06/16/441760616.db2.gz ZSWTYIJGPIXKKE-UHFFFAOYSA-N 1 1 336.436 1.390 50 0 EDAAMO C[NH+]1CCN(C(=O)[C@H]2CCC(=O)N(CCCc3ccccc3)C2)CC1 ZINC000092022034 441764104 /nfs/dbraw/zinc/76/41/04/441764104.db2.gz FHCQKWFJXWPIHZ-SFHVURJKSA-N 1 1 343.471 1.632 50 0 EDAAMO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CC[C@]2(C1)CCCNC2=O ZINC000092066138 441767610 /nfs/dbraw/zinc/76/76/10/441767610.db2.gz RNDLDAZJFKJKRQ-SFHVURJKSA-N 1 1 333.432 1.778 50 0 EDAAMO OC[C@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1CN1CCOCC1 ZINC000091656799 441726013 /nfs/dbraw/zinc/72/60/13/441726013.db2.gz VKFVCKSNVNYPBO-CHWSQXEVSA-N 1 1 330.881 1.774 50 0 EDAAMO CC[N@@H+](CCO)C[C@@H]1CN(C(=O)c2cc(F)ccc2C)C[C@@H]1CO ZINC000091663429 441726620 /nfs/dbraw/zinc/72/66/20/441726620.db2.gz GRHBNAGQXJQARR-HUUCEWRRSA-N 1 1 338.423 1.129 50 0 EDAAMO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000159133438 441790391 /nfs/dbraw/zinc/79/03/91/441790391.db2.gz XCXPKVBHEBXLMT-KRWDZBQOSA-N 1 1 345.491 1.641 50 0 EDAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1nc(-c2ncccn2)no1 ZINC000095370939 441914310 /nfs/dbraw/zinc/91/43/10/441914310.db2.gz UPACIMNVGPHZGM-LBPRGKRZSA-N 1 1 330.392 1.407 50 0 EDAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1nnc(-c2ccncc2)[nH]1 ZINC000095372356 441915224 /nfs/dbraw/zinc/91/52/24/441915224.db2.gz YGAGUZDTUSNTFC-CQSZACIVSA-N 1 1 328.420 1.747 50 0 EDAAMO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000095372356 441915228 /nfs/dbraw/zinc/91/52/28/441915228.db2.gz YGAGUZDTUSNTFC-CQSZACIVSA-N 1 1 328.420 1.747 50 0 EDAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000095372356 441915232 /nfs/dbraw/zinc/91/52/32/441915232.db2.gz YGAGUZDTUSNTFC-CQSZACIVSA-N 1 1 328.420 1.747 50 0 EDAAMO C[C@@H](C(=O)N1CCOCC1)[N@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000069324780 441918611 /nfs/dbraw/zinc/91/86/11/441918611.db2.gz HAKZVYYWMGUSKV-HOTGVXAUSA-N 1 1 342.443 1.921 50 0 EDAAMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCc1cc(F)cc(F)c1 ZINC000095389631 441918980 /nfs/dbraw/zinc/91/89/80/441918980.db2.gz LZSWJDGMCDFUHX-GFCCVEGCSA-N 1 1 326.391 1.400 50 0 EDAAMO Cn1ncnc1CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000095436970 441927039 /nfs/dbraw/zinc/92/70/39/441927039.db2.gz BTCUGBZIKGIRGI-UHFFFAOYSA-N 1 1 330.436 1.525 50 0 EDAAMO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2cn(C)c(=O)n(C)c2=O)cc1 ZINC000093458901 441886604 /nfs/dbraw/zinc/88/66/04/441886604.db2.gz LDHQEMJKFOYSQK-INIZCTEOSA-N 1 1 345.468 1.683 50 0 EDAAMO CC(C)C[C@@H](CNC(=O)Nc1ccc2nncn2c1)[NH+]1CCOCC1 ZINC000095460688 441930204 /nfs/dbraw/zinc/93/02/04/441930204.db2.gz HQIQJEXCZVANIQ-HNNXBMFYSA-N 1 1 346.435 1.598 50 0 EDAAMO O=C(NCCC[NH+]1CCOCC1)Nc1ccc(-n2cncn2)cc1 ZINC000095498855 441937484 /nfs/dbraw/zinc/93/74/84/441937484.db2.gz VFRVSWKEWULFAF-UHFFFAOYSA-N 1 1 330.392 1.111 50 0 EDAAMO CCOC(=O)[C@](C)(O)CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000095943814 441956089 /nfs/dbraw/zinc/95/60/89/441956089.db2.gz FROXHOXLECGATJ-GOSISDBHSA-N 1 1 326.481 1.889 50 0 EDAAMO Cc1nccn1-c1ccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)cn1 ZINC000095978324 441967269 /nfs/dbraw/zinc/96/72/69/441967269.db2.gz NBBWXAYHZCFCHU-AWEZNQCLSA-N 1 1 331.445 1.952 50 0 EDAAMO Cc1nccn1-c1ccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)cn1 ZINC000095978324 441967276 /nfs/dbraw/zinc/96/72/76/441967276.db2.gz NBBWXAYHZCFCHU-AWEZNQCLSA-N 1 1 331.445 1.952 50 0 EDAAMO C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000079022646 442009324 /nfs/dbraw/zinc/00/93/24/442009324.db2.gz ATYXUNUFAYVWFH-HNNXBMFYSA-N 1 1 333.432 1.449 50 0 EDAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(OCC(N)=O)c1 ZINC000069664968 442006105 /nfs/dbraw/zinc/00/61/05/442006105.db2.gz AAAKSQRAPGBLJL-IRXDYDNUSA-N 1 1 345.443 1.640 50 0 EDAAMO O=S(=O)(c1cccc(F)c1)N1CCC([N@@H+]2CCC[C@@H]2CO)CC1 ZINC000096099762 442026641 /nfs/dbraw/zinc/02/66/41/442026641.db2.gz GFMQXFKSNZPWRD-OAHLLOKOSA-N 1 1 342.436 1.436 50 0 EDAAMO CN1CC[NH+](CCCNC(=O)[C@@H]2CCOc3ccccc3C2)CC1 ZINC000096139383 442043753 /nfs/dbraw/zinc/04/37/53/442043753.db2.gz WPIVJQQLCJATPT-QGZVFWFLSA-N 1 1 331.460 1.382 50 0 EDAAMO C[C@H](O)C1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000096420848 442121953 /nfs/dbraw/zinc/12/19/53/442121953.db2.gz UNRGZESXSGNDIZ-YJBOKZPZSA-N 1 1 332.444 1.507 50 0 EDAAMO C[C@H](O)C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000096420848 442121956 /nfs/dbraw/zinc/12/19/56/442121956.db2.gz UNRGZESXSGNDIZ-YJBOKZPZSA-N 1 1 332.444 1.507 50 0 EDAAMO CC(C)n1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000096420860 442123148 /nfs/dbraw/zinc/12/31/48/442123148.db2.gz BAWJQOGYIVCPJJ-SFHVURJKSA-N 1 1 342.443 1.981 50 0 EDAAMO CC(C)n1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000096420860 442123150 /nfs/dbraw/zinc/12/31/50/442123150.db2.gz BAWJQOGYIVCPJJ-SFHVURJKSA-N 1 1 342.443 1.981 50 0 EDAAMO Cc1ccccc1O[C@@H](C)CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000096440107 442131110 /nfs/dbraw/zinc/13/11/10/442131110.db2.gz IRRKYXKDCHQBRL-JKSUJKDBSA-N 1 1 334.464 1.307 50 0 EDAAMO CN(C1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1)S(C)(=O)=O ZINC000096443294 442132176 /nfs/dbraw/zinc/13/21/76/442132176.db2.gz QTNYSLSPODDMLB-OAHLLOKOSA-N 1 1 346.880 1.729 50 0 EDAAMO O=C(CC[N@H+]1CCC[C@H](N2CCNC2=O)C1)NCc1ccc(F)cc1 ZINC000096443287 442132827 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EDAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3nncs3)cc2)C[C@H](C)O1 ZINC000332345160 444511160 /nfs/dbraw/zinc/51/11/60/444511160.db2.gz WXCLGTNOWNXHLA-TXEJJXNPSA-N 1 1 332.429 2.400 50 0 EDAAMO CCN1CC[NH+](CCC(=O)N2CCS[C@@H]3CCCC[C@H]32)CC1 ZINC000370323737 446230736 /nfs/dbraw/zinc/23/07/36/446230736.db2.gz UFOBJEADYWKHRC-HZPDHXFCSA-N 1 1 325.522 1.901 50 0 EDAAMO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)N2CCN(C)CC2)C1 ZINC000426633886 447482372 /nfs/dbraw/zinc/48/23/72/447482372.db2.gz LMJBGSUIBGHWAR-QGZVFWFLSA-N 1 1 330.476 1.741 50 0 EDAAMO Cc1[nH+]ccn1CCNC(=O)N1CCCC[C@@H]1CCN1CCCC1=O ZINC000426641594 447484715 /nfs/dbraw/zinc/48/47/15/447484715.db2.gz VGFRGLAVQZZSLY-MRXNPFEDSA-N 1 1 347.463 1.768 50 0 EDAAMO Cc1cc(F)ccc1S(=O)(=O)NCc1cn(-c2cc[nH+]cc2)nn1 ZINC000575414802 447856546 /nfs/dbraw/zinc/85/65/46/447856546.db2.gz VJAFSVSBYXXREN-UHFFFAOYSA-N 1 1 347.375 1.588 50 0 EDAAMO CCO[C@H]1C[N@@H+](CC)C[C@@H]1NC(=O)N(C)C1Cc2ccccc2C1 ZINC000584892995 448668211 /nfs/dbraw/zinc/66/82/11/448668211.db2.gz QIOAHIWGSMFJQA-ROUUACIJSA-N 1 1 331.460 1.904 50 0 EDAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)N1CC(n2nc(C)cc2C)C1 ZINC000584899975 448670555 /nfs/dbraw/zinc/67/05/55/448670555.db2.gz OILMIWKRQMDGNI-HOTGVXAUSA-N 1 1 335.452 1.174 50 0 EDAAMO CCc1oc2ccccc2c1CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000585123790 448701646 /nfs/dbraw/zinc/70/16/46/448701646.db2.gz PLRGTSZYHHZEPG-CQSZACIVSA-N 1 1 328.412 1.815 50 0 EDAAMO CCc1oc2ccccc2c1CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000585123790 448701654 /nfs/dbraw/zinc/70/16/54/448701654.db2.gz PLRGTSZYHHZEPG-CQSZACIVSA-N 1 1 328.412 1.815 50 0 EDAAMO COC(=O)[C@]1(NCc2ccn(C)n2)CCC[N@H+](Cc2ccccc2)C1 ZINC000585139852 448709134 /nfs/dbraw/zinc/70/91/34/448709134.db2.gz HAKFPSCIWIXOTH-IBGZPJMESA-N 1 1 342.443 1.718 50 0 EDAAMO COC(=O)[C@]1(NCc2ccn(C)n2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000585139852 448709139 /nfs/dbraw/zinc/70/91/39/448709139.db2.gz HAKFPSCIWIXOTH-IBGZPJMESA-N 1 1 342.443 1.718 50 0 EDAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3cnsn3)cc2)C1 ZINC000299542739 491004119 /nfs/dbraw/zinc/00/41/19/491004119.db2.gz AEXKQRYWVJULJU-LBPRGKRZSA-N 1 1 345.428 1.488 50 0 EDAAMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@H]3C[C@H]3C)C2)cc(OC)c1 ZINC000246089281 522393141 /nfs/dbraw/zinc/39/31/41/522393141.db2.gz MQCXJIWQTCBAQW-IFIJOSMWSA-N 1 1 333.432 1.986 50 0 EDAAMO COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@H]3C[C@H]3C)C2)cc(OC)c1 ZINC000246089281 522393158 /nfs/dbraw/zinc/39/31/58/522393158.db2.gz MQCXJIWQTCBAQW-IFIJOSMWSA-N 1 1 333.432 1.986 50 0 EDAAMO CCOC[C@@H]1CCC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000072976964 704669113 /nfs/dbraw/zinc/66/91/13/704669113.db2.gz PYOVLPKDLQTGOD-CQSZACIVSA-N 1 1 331.416 1.720 50 0 EDAAMO CCOC[C@@H]1CCC[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000072976964 704669115 /nfs/dbraw/zinc/66/91/15/704669115.db2.gz PYOVLPKDLQTGOD-CQSZACIVSA-N 1 1 331.416 1.720 50 0 EDAAMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000051055986 214076577 /nfs/dbraw/zinc/07/65/77/214076577.db2.gz AYMVATCVJFNBHC-HUUCEWRRSA-N 1 1 335.448 1.913 50 0 EDAAMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000051055986 214076582 /nfs/dbraw/zinc/07/65/82/214076582.db2.gz AYMVATCVJFNBHC-HUUCEWRRSA-N 1 1 335.448 1.913 50 0 EDAAMO Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000051958339 214110206 /nfs/dbraw/zinc/11/02/06/214110206.db2.gz BQHJJKTYPJOMRZ-IBGZPJMESA-N 1 1 348.487 1.779 50 0 EDAAMO Cc1noc(C2CC[NH+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)CC2)n1 ZINC000053619592 214191274 /nfs/dbraw/zinc/19/12/74/214191274.db2.gz MUAUKCAEJBCSOI-HOTGVXAUSA-N 1 1 348.447 1.727 50 0 EDAAMO O=C(c1ccc(CSc2nc[nH]n2)o1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000055384631 214315525 /nfs/dbraw/zinc/31/55/25/214315525.db2.gz ZGQZNVNWMZPGJB-LLVKDONJSA-N 1 1 333.417 1.610 50 0 EDAAMO Cc1c(C(=O)NCC[C@@H]2C[N@H+](C)CCO2)cnn1-c1ccccn1 ZINC000067491144 215154047 /nfs/dbraw/zinc/15/40/47/215154047.db2.gz DJTSPMCUEVKBBK-CQSZACIVSA-N 1 1 329.404 1.026 50 0 EDAAMO Cc1c(C(=O)NCC[C@@H]2C[N@@H+](C)CCO2)cnn1-c1ccccn1 ZINC000067491144 215154048 /nfs/dbraw/zinc/15/40/48/215154048.db2.gz DJTSPMCUEVKBBK-CQSZACIVSA-N 1 1 329.404 1.026 50 0 EDAAMO O=C(NC[C@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1)c1cccnn1 ZINC000067643299 215172469 /nfs/dbraw/zinc/17/24/69/215172469.db2.gz PBPLREYQSNAPHV-CYBMUJFWSA-N 1 1 336.399 1.605 50 0 EDAAMO O=C(NC[C@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1)c1cccnn1 ZINC000067643299 215172475 /nfs/dbraw/zinc/17/24/75/215172475.db2.gz PBPLREYQSNAPHV-CYBMUJFWSA-N 1 1 336.399 1.605 50 0 EDAAMO CN1CCC2(CC1)CN(C(=O)CCc1cccnc1)CCC[N@H+]2C ZINC000067674846 215180109 /nfs/dbraw/zinc/18/01/09/215180109.db2.gz XEEDXKXBZMPBJG-UHFFFAOYSA-N 1 1 330.476 1.643 50 0 EDAAMO CN1CCCN(C(=O)CCc2cccnc2)CC12CC[NH+](C)CC2 ZINC000067674846 215180112 /nfs/dbraw/zinc/18/01/12/215180112.db2.gz XEEDXKXBZMPBJG-UHFFFAOYSA-N 1 1 330.476 1.643 50 0 EDAAMO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](CNC(=O)c2cnccn2)C1 ZINC000067789406 215214388 /nfs/dbraw/zinc/21/43/88/215214388.db2.gz WMNGKLWYGNWXCT-GFCCVEGCSA-N 1 1 348.838 1.424 50 0 EDAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](CNC(=O)c2cnccn2)C1 ZINC000067789406 215214391 /nfs/dbraw/zinc/21/43/91/215214391.db2.gz WMNGKLWYGNWXCT-GFCCVEGCSA-N 1 1 348.838 1.424 50 0 EDAAMO CCc1ncc2c(n1)CN(C(=O)CC[C@@H](C)N1CC[NH+](C)CC1)C2 ZINC000067817428 215219796 /nfs/dbraw/zinc/21/97/96/215219796.db2.gz IPEKCXOMUDSAOL-CQSZACIVSA-N 1 1 331.464 1.297 50 0 EDAAMO CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000067833649 215224972 /nfs/dbraw/zinc/22/49/72/215224972.db2.gz OLNOTJDMTMWZKJ-ZDUSSCGKSA-N 1 1 339.461 1.186 50 0 EDAAMO CC(C)c1cc(C(=O)N2CCC3(CC2)C(=O)NCCC[N@@H+]3C)no1 ZINC000067867861 215234439 /nfs/dbraw/zinc/23/44/39/215234439.db2.gz KTIMMWNHUWAQBH-UHFFFAOYSA-N 1 1 334.420 1.225 50 0 EDAAMO NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000067975512 215265512 /nfs/dbraw/zinc/26/55/12/215265512.db2.gz KQRYABGTFLAIAI-OAHLLOKOSA-N 1 1 349.434 1.681 50 0 EDAAMO CCN(C(=O)Cn1cncn1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000069350897 215385945 /nfs/dbraw/zinc/38/59/45/215385945.db2.gz NTRXGDFPPFEKKK-DOTOQJQBSA-N 1 1 327.432 1.962 50 0 EDAAMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCc1ccc(F)cc1 ZINC000040554999 213349207 /nfs/dbraw/zinc/34/92/07/213349207.db2.gz JYPSGJVAPUERLA-UHFFFAOYSA-N 1 1 336.455 1.993 50 0 EDAAMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(F)cc1 ZINC000040554999 213349212 /nfs/dbraw/zinc/34/92/12/213349212.db2.gz JYPSGJVAPUERLA-UHFFFAOYSA-N 1 1 336.455 1.993 50 0 EDAAMO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000585080548 539955455 /nfs/dbraw/zinc/95/54/55/539955455.db2.gz OBZGGZRHGNFKDJ-AWEZNQCLSA-N 1 1 328.359 1.967 50 0 EDAAMO COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000585080548 539955460 /nfs/dbraw/zinc/95/54/60/539955460.db2.gz OBZGGZRHGNFKDJ-AWEZNQCLSA-N 1 1 328.359 1.967 50 0 EDAAMO Cc1nn(C)cc1CN1CC[N@H+](Cc2ccsc2)[C@H](CCO)C1 ZINC000039442149 213236094 /nfs/dbraw/zinc/23/60/94/213236094.db2.gz DEKDBVWWYVRUIU-QGZVFWFLSA-N 1 1 334.489 1.859 50 0 EDAAMO Cc1nn(C)cc1CN1CC[N@@H+](Cc2ccsc2)[C@H](CCO)C1 ZINC000039442149 213236097 /nfs/dbraw/zinc/23/60/97/213236097.db2.gz DEKDBVWWYVRUIU-QGZVFWFLSA-N 1 1 334.489 1.859 50 0 EDAAMO C[NH+](C)C[C@@]1(O)CCN(C(=O)C2CCN(Cc3ccco3)CC2)C1 ZINC000072147768 216035418 /nfs/dbraw/zinc/03/54/18/216035418.db2.gz OVKQJLFHMYSXPN-SFHVURJKSA-N 1 1 335.448 1.017 50 0 EDAAMO CNC(=O)C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000072154264 216043583 /nfs/dbraw/zinc/04/35/83/216043583.db2.gz QPAAWZDRGUHDLI-HNNXBMFYSA-N 1 1 334.439 1.158 50 0 EDAAMO CNC(=O)C[N@H+]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000072154264 216043587 /nfs/dbraw/zinc/04/35/87/216043587.db2.gz QPAAWZDRGUHDLI-HNNXBMFYSA-N 1 1 334.439 1.158 50 0 EDAAMO CN(C)c1ccccc1C(=O)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072156629 216045222 /nfs/dbraw/zinc/04/52/22/216045222.db2.gz RZNQJDBHQLEFQF-MRXNPFEDSA-N 1 1 331.460 1.814 50 0 EDAAMO CC[C@H]1CN(CC(=O)N(C)Cc2cccs2)CC[N@H+]1C[C@@H](C)O ZINC000072267430 216087383 /nfs/dbraw/zinc/08/73/83/216087383.db2.gz VFUGHSYGQYSFCS-CABCVRRESA-N 1 1 339.505 1.484 50 0 EDAAMO O=C(C[N@@H+](CCc1ccc(F)cc1)C1CC1)NCC(=O)N1CCCC1 ZINC000072287008 216119105 /nfs/dbraw/zinc/11/91/05/216119105.db2.gz WDYOTJRAIDLXRL-UHFFFAOYSA-N 1 1 347.434 1.571 50 0 EDAAMO O=C(C[N@H+](CCc1ccc(F)cc1)C1CC1)NCC(=O)N1CCCC1 ZINC000072287008 216119109 /nfs/dbraw/zinc/11/91/09/216119109.db2.gz WDYOTJRAIDLXRL-UHFFFAOYSA-N 1 1 347.434 1.571 50 0 EDAAMO COc1ccc2[nH]nc(CN3CCC([NH+]4CCC(O)CC4)CC3)c2c1 ZINC000072421608 216210729 /nfs/dbraw/zinc/21/07/29/216210729.db2.gz CWEGXINOVZSITN-UHFFFAOYSA-N 1 1 344.459 1.993 50 0 EDAAMO CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](CCCOc1ccc(C(N)=O)cc1)C2 ZINC000072453529 216240719 /nfs/dbraw/zinc/24/07/19/216240719.db2.gz DMPLZHYKIPESNW-LSDHHAIUSA-N 1 1 331.416 1.107 50 0 EDAAMO C[C@@H](NC(=O)CN1CC[NH+](CCO)CC1)c1ccc2ccccc2c1 ZINC000022944683 212339142 /nfs/dbraw/zinc/33/91/42/212339142.db2.gz XCWINOLXSGUQGB-MRXNPFEDSA-N 1 1 341.455 1.627 50 0 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CC[C@H]1C[N@@H+](CCC(=O)NC2CCCCC2)CCN1CCOC ZINC000069951204 441095985 /nfs/dbraw/zinc/09/59/85/441095985.db2.gz APYNEPDQVBQGNX-KRWDZBQOSA-N 1 1 325.497 1.868 50 0 EDAAMO COc1ccccc1C[N@@H+](CCCS(=O)(=O)N(C)C)C1CC1 ZINC000057872398 441139821 /nfs/dbraw/zinc/13/98/21/441139821.db2.gz CYDLWAGQAOHWIQ-UHFFFAOYSA-N 1 1 326.462 1.941 50 0 EDAAMO Cc1cc2c(nc1C)oc1c2ncnc1N1CC[NH+](CCO)CC1 ZINC000071279366 441143036 /nfs/dbraw/zinc/14/30/36/441143036.db2.gz MXTCKZYTDFAJQV-UHFFFAOYSA-N 1 1 327.388 1.502 50 0 EDAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)CCN2CCSC2=O)ccn1 ZINC000047013717 441148246 /nfs/dbraw/zinc/14/82/46/441148246.db2.gz DMCBMIURVVNAQV-UHFFFAOYSA-N 1 1 345.428 1.751 50 0 EDAAMO O=C(C[C@H]1Sc2ccccc2NC1=O)N1CC[NH+](C2CC2)CC1 ZINC000071836789 441165308 /nfs/dbraw/zinc/16/53/08/441165308.db2.gz PRIFJNFJSZKPTP-OAHLLOKOSA-N 1 1 331.441 1.796 50 0 EDAAMO COc1cccc(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1OC ZINC000071856630 441169972 /nfs/dbraw/zinc/16/99/72/441169972.db2.gz MKWCOAOAWIWWQC-HUUCEWRRSA-N 1 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COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(F)ccc1F ZINC000058429203 441194610 /nfs/dbraw/zinc/19/46/10/441194610.db2.gz HCUMFBRKVKUCIN-LBPRGKRZSA-N 1 1 334.388 1.354 50 0 EDAAMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1cc(=O)n2cccc(C)c2n1 ZINC000071921308 441197470 /nfs/dbraw/zinc/19/74/70/441197470.db2.gz FFOSQKBNSNGEOW-HNNXBMFYSA-N 1 1 329.400 1.921 50 0 EDAAMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1cc(=O)n2cccc(C)c2n1 ZINC000071921308 441197475 /nfs/dbraw/zinc/19/74/75/441197475.db2.gz FFOSQKBNSNGEOW-HNNXBMFYSA-N 1 1 329.400 1.921 50 0 EDAAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1nc(CCOC)no1 ZINC000072268676 441211386 /nfs/dbraw/zinc/21/13/86/441211386.db2.gz MNYFYUYQSZBFPS-ZIAGYGMSSA-N 1 1 336.436 1.624 50 0 EDAAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1nc(CCOC)no1 ZINC000072268676 441211392 /nfs/dbraw/zinc/21/13/92/441211392.db2.gz MNYFYUYQSZBFPS-ZIAGYGMSSA-N 1 1 336.436 1.624 50 0 EDAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@H](O)c1ccc2c(c1)OCO2 ZINC000072268576 441211677 /nfs/dbraw/zinc/21/16/77/441211677.db2.gz UQGTTXCERDQHPC-ZACQAIPSSA-N 1 1 346.427 1.924 50 0 EDAAMO O=C(c1ccc(N2CCCC2)nc1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000072269648 441213910 /nfs/dbraw/zinc/21/39/10/441213910.db2.gz DNAXHMLSQOYCFE-IAGOWNOFSA-N 1 1 344.459 1.353 50 0 EDAAMO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(N)=O)CC3)C2=O)cc1Cl ZINC000018250383 441250263 /nfs/dbraw/zinc/25/02/63/441250263.db2.gz OXDWNFZDDSPBIO-CQSZACIVSA-N 1 1 349.818 1.478 50 0 EDAAMO Cc1ccccc1NC1=[NH+][C@@]2(NC(=N)N1)c1ccccc1N(C)C2=O ZINC000019329174 441256314 /nfs/dbraw/zinc/25/63/14/441256314.db2.gz MJRBVQYOPWYSCJ-SFHVURJKSA-N 1 1 334.383 1.510 50 0 EDAAMO CN1c2ccccc2[C@]2(NC(=N)NC(N3CCc4ccccc43)=[NH+]2)C1=O ZINC000019327596 441256658 /nfs/dbraw/zinc/25/66/58/441256658.db2.gz GKQZVCPUJOIYKP-LJQANCHMSA-N 1 1 346.394 1.152 50 0 EDAAMO CC[NH+]1CCN(C(=O)CCN2c3cc(C)ccc3OCC2=O)CC1 ZINC000020136430 441261797 /nfs/dbraw/zinc/26/17/97/441261797.db2.gz VNFUDIXWDDIADC-UHFFFAOYSA-N 1 1 331.416 1.275 50 0 EDAAMO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccnc3)C2=O)cc1 ZINC000022358518 441279296 /nfs/dbraw/zinc/27/92/96/441279296.db2.gz XZSWVDQDAZFROI-INIZCTEOSA-N 1 1 338.367 1.462 50 0 EDAAMO CCC(CC)[C@@H](CNC(=O)c1ccc2n[nH]nc2c1)[NH+]1CCOCC1 ZINC000022898734 441286658 /nfs/dbraw/zinc/28/66/58/441286658.db2.gz DPKRZUGWHAWRKQ-QGZVFWFLSA-N 1 1 345.447 1.825 50 0 EDAAMO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000048311059 441291543 /nfs/dbraw/zinc/29/15/43/441291543.db2.gz YBTRJLGKYSSBFA-GFCCVEGCSA-N 1 1 344.433 1.305 50 0 EDAAMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000048311059 441291545 /nfs/dbraw/zinc/29/15/45/441291545.db2.gz YBTRJLGKYSSBFA-GFCCVEGCSA-N 1 1 344.433 1.305 50 0 EDAAMO O=C(CN1C(=O)CSc2ccccc21)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000048331923 441294406 /nfs/dbraw/zinc/29/44/06/441294406.db2.gz QSRAIUIIQZVBHD-CYBMUJFWSA-N 1 1 345.468 1.726 50 0 EDAAMO Cc1cccc(N2CCN(C(=O)CCCC(=O)N(C)C)[C@@H](C)C2)[nH+]1 ZINC000073726945 441347570 /nfs/dbraw/zinc/34/75/70/441347570.db2.gz PJXSKHYLCAEMTG-HNNXBMFYSA-N 1 1 332.448 1.686 50 0 EDAAMO O=C(C[C@H]1COCCN1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000082097918 441332523 /nfs/dbraw/zinc/33/25/23/441332523.db2.gz FXRSXXXRMZSNPT-IBGZPJMESA-N 1 1 345.487 1.532 50 0 EDAAMO O=C(C[C@H]1COCCN1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000082097918 441332526 /nfs/dbraw/zinc/33/25/26/441332526.db2.gz FXRSXXXRMZSNPT-IBGZPJMESA-N 1 1 345.487 1.532 50 0 EDAAMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccco1 ZINC000048380373 441301257 /nfs/dbraw/zinc/30/12/57/441301257.db2.gz PXVTUCIIYBLKFG-HUUCEWRRSA-N 1 1 343.431 1.705 50 0 EDAAMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000024686344 441318342 /nfs/dbraw/zinc/31/83/42/441318342.db2.gz HHMFRXUGDZLHBU-LLVKDONJSA-N 1 1 342.399 1.329 50 0 EDAAMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O ZINC000024686344 441318347 /nfs/dbraw/zinc/31/83/47/441318347.db2.gz HHMFRXUGDZLHBU-LLVKDONJSA-N 1 1 342.399 1.329 50 0 EDAAMO Cc1cccc(OCC[N@@H+]2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c1 ZINC000084211244 441386521 /nfs/dbraw/zinc/38/65/21/441386521.db2.gz SGFJNUGSJIDPRK-GOSISDBHSA-N 1 1 331.416 1.779 50 0 EDAAMO Cc1cccc(OCCN2CC[N@H+](C[C@H]3CN(C)CCO3)C[C@H]2C)c1 ZINC000106908095 441387536 /nfs/dbraw/zinc/38/75/36/441387536.db2.gz TWXGDFMSHURFGY-UYAOXDASSA-N 1 1 347.503 1.711 50 0 EDAAMO C[N@@H+](CCCC(=O)NC(N)=O)Cc1cc(Br)ccc1F ZINC000063741826 441349613 /nfs/dbraw/zinc/34/96/13/441349613.db2.gz NPWNHMFYDNCGBJ-UHFFFAOYSA-N 1 1 346.200 1.995 50 0 EDAAMO O[C@@]1(CN2CCC(Nc3ncccn3)CC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063857164 441358529 /nfs/dbraw/zinc/35/85/29/441358529.db2.gz DVACLYGFTNCZSV-IEBWSBKVSA-N 1 1 345.491 1.732 50 0 EDAAMO O[C@@]1(CN2CCC(Nc3ncccn3)CC2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063857164 441358534 /nfs/dbraw/zinc/35/85/34/441358534.db2.gz DVACLYGFTNCZSV-IEBWSBKVSA-N 1 1 345.491 1.732 50 0 EDAAMO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1OC ZINC000107048932 441398128 /nfs/dbraw/zinc/39/81/28/441398128.db2.gz RMYOAXRQEQDLAE-ZIAGYGMSSA-N 1 1 338.452 1.415 50 0 EDAAMO COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1OC ZINC000107048932 441398132 /nfs/dbraw/zinc/39/81/32/441398132.db2.gz RMYOAXRQEQDLAE-ZIAGYGMSSA-N 1 1 338.452 1.415 50 0 EDAAMO CNC(=O)c1ccc(CNc2nc(N(C)C)[nH+]c3c2CCCC3)o1 ZINC000065372823 441419706 /nfs/dbraw/zinc/41/97/06/441419706.db2.gz UVBZDPCVVSRBNY-UHFFFAOYSA-N 1 1 329.404 1.986 50 0 EDAAMO Cc1csc(=O)n1CCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000028016868 441422693 /nfs/dbraw/zinc/42/26/93/441422693.db2.gz PNUJHZCLIPJJGZ-CQSZACIVSA-N 1 1 341.477 1.081 50 0 EDAAMO C[C@@H](CNc1nc(N2CCC(O)CC2)cc[nH+]1)Oc1cccnc1 ZINC000065398260 441425122 /nfs/dbraw/zinc/42/51/22/441425122.db2.gz BGXWGZHIZRXBCR-ZDUSSCGKSA-N 1 1 329.404 1.712 50 0 EDAAMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC[C@H](O)C1 ZINC000074479564 441438595 /nfs/dbraw/zinc/43/85/95/441438595.db2.gz CQLKUPWJNCNMDH-AEFFLSMTSA-N 1 1 346.475 1.363 50 0 EDAAMO CNC(=O)C[N@@H+]1CCCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000089386131 441544584 /nfs/dbraw/zinc/54/45/84/441544584.db2.gz QDBGOKDQJCUYNV-UHFFFAOYSA-N 1 1 345.422 1.265 50 0 EDAAMO CNC(=O)C[N@H+]1CCCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000089386131 441544588 /nfs/dbraw/zinc/54/45/88/441544588.db2.gz QDBGOKDQJCUYNV-UHFFFAOYSA-N 1 1 345.422 1.265 50 0 EDAAMO Cc1nn(C)c(Cl)c1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000032269061 441549609 /nfs/dbraw/zinc/54/96/09/441549609.db2.gz GDUMBTVGVFRTOD-LBPRGKRZSA-N 1 1 328.844 1.469 50 0 EDAAMO CC(=O)N1CCC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000053286843 441509565 /nfs/dbraw/zinc/50/95/65/441509565.db2.gz LJISBNIRQWVDJW-ZWKOTPCHSA-N 1 1 329.444 1.760 50 0 EDAAMO CC(=O)N1CCC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000053286843 441509568 /nfs/dbraw/zinc/50/95/68/441509568.db2.gz LJISBNIRQWVDJW-ZWKOTPCHSA-N 1 1 329.444 1.760 50 0 EDAAMO Cc1nc2ccccc2c(=O)n1CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000089729925 441573271 /nfs/dbraw/zinc/57/32/71/441573271.db2.gz CHZVZWLGOROHQS-AWEZNQCLSA-N 1 1 342.443 1.648 50 0 EDAAMO Cc1nc2ccccc2c(=O)n1CCCC(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000089729925 441573274 /nfs/dbraw/zinc/57/32/74/441573274.db2.gz CHZVZWLGOROHQS-AWEZNQCLSA-N 1 1 342.443 1.648 50 0 EDAAMO Cc1ccoc1C(=O)NCCCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000076018610 441578417 /nfs/dbraw/zinc/57/84/17/441578417.db2.gz VPRKXBGCJPGNRN-HNNXBMFYSA-N 1 1 348.447 1.491 50 0 EDAAMO CC(=O)N1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000032843201 441575822 /nfs/dbraw/zinc/57/58/22/441575822.db2.gz FTWDMTSPSPDAEG-KBPBESRZSA-N 1 1 335.423 1.946 50 0 EDAAMO CC(=O)N1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000032843201 441575826 /nfs/dbraw/zinc/57/58/26/441575826.db2.gz FTWDMTSPSPDAEG-KBPBESRZSA-N 1 1 335.423 1.946 50 0 EDAAMO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000076040633 441581136 /nfs/dbraw/zinc/58/11/36/441581136.db2.gz AIVJWDLGXWUSIL-SWLSCSKDSA-N 1 1 326.824 1.775 50 0 EDAAMO C[C@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)C[C@H]1[NH+]1CCOCC1 ZINC000076053701 441587351 /nfs/dbraw/zinc/58/73/51/441587351.db2.gz RYLGZCPWUKRWNA-WMLDXEAASA-N 1 1 330.428 1.343 50 0 EDAAMO C[C@H]1CN(C(=O)C2=Cc3ccccc3OC2)C[C@@H]1[NH+]1CCOCC1 ZINC000076054487 441587429 /nfs/dbraw/zinc/58/74/29/441587429.db2.gz KWZUYMFMZBLHPG-YOEHRIQHSA-N 1 1 328.412 1.642 50 0 EDAAMO CC(C)N1C(=O)N[C@](C)([C@H]2CCC[N@H+](Cc3nccn3C)C2)C1=O ZINC000089869818 441587681 /nfs/dbraw/zinc/58/76/81/441587681.db2.gz HDGPCXQWAYOVGO-SUMWQHHRSA-N 1 1 333.436 1.351 50 0 EDAAMO CC(C)N1C(=O)N[C@](C)([C@H]2CCC[N@@H+](Cc3nccn3C)C2)C1=O ZINC000089869818 441587686 /nfs/dbraw/zinc/58/76/86/441587686.db2.gz HDGPCXQWAYOVGO-SUMWQHHRSA-N 1 1 333.436 1.351 50 0 EDAAMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN(Cc2ccon2)CC1 ZINC000076086872 441595072 /nfs/dbraw/zinc/59/50/72/441595072.db2.gz ZJESWNNMPCNHNZ-KRWDZBQOSA-N 1 1 349.479 1.766 50 0 EDAAMO C[C@@H](CNC(=O)NCc1nnc2ccccn21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000089930292 441597961 /nfs/dbraw/zinc/59/79/61/441597961.db2.gz COGZEMNBEXJYOL-MELADBBJSA-N 1 1 346.435 1.026 50 0 EDAAMO C[C@@H](CNC(=O)NCc1nnc2ccccn21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000089930292 441597963 /nfs/dbraw/zinc/59/79/63/441597963.db2.gz COGZEMNBEXJYOL-MELADBBJSA-N 1 1 346.435 1.026 50 0 EDAAMO c1ccc(OCCCCN2CCOCC2)c(CN[C@H]2CC[NH2+]C2)c1 ZINC000055054343 441614730 /nfs/dbraw/zinc/61/47/30/441614730.db2.gz SOWAAQVAZPCSFU-SFHVURJKSA-N 1 1 333.476 1.629 50 0 EDAAMO C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000091153410 441664289 /nfs/dbraw/zinc/66/42/89/441664289.db2.gz UGRHKBPVWYPQTK-QLFBSQMISA-N 1 1 342.798 1.756 50 0 EDAAMO C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000091153410 441664292 /nfs/dbraw/zinc/66/42/92/441664292.db2.gz UGRHKBPVWYPQTK-QLFBSQMISA-N 1 1 342.798 1.756 50 0 EDAAMO Cn1c(C[NH+]2CCCCCC2)nnc1C1CCN(C(=O)CCO)CC1 ZINC000091270282 441691554 /nfs/dbraw/zinc/69/15/54/441691554.db2.gz FDUXFZBEFDRPQN-UHFFFAOYSA-N 1 1 349.479 1.280 50 0 EDAAMO Cc1ccccc1CNC(=O)C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000077375640 441766743 /nfs/dbraw/zinc/76/67/43/441766743.db2.gz IXGPEJPKTWOXQA-IBGZPJMESA-N 1 1 345.487 1.798 50 0 EDAAMO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCOCC1)N1CCc2ccccc21 ZINC000043229465 441826376 /nfs/dbraw/zinc/82/63/76/441826376.db2.gz AYQKLVHWJYJUKI-FUHWJXTLSA-N 1 1 345.443 1.496 50 0 EDAAMO CSc1ccc(NCc2cnc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000095430883 441925246 /nfs/dbraw/zinc/92/52/46/441925246.db2.gz RVOCFGCCOXQARW-UHFFFAOYSA-N 1 1 330.461 1.957 50 0 EDAAMO Nc1ccnc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000095986374 441971425 /nfs/dbraw/zinc/97/14/25/441971425.db2.gz PHSILWLCPIAJPP-OAHLLOKOSA-N 1 1 325.416 1.730 50 0 EDAAMO O=C(CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)N1CCOCC1 ZINC000069570163 441976498 /nfs/dbraw/zinc/97/64/98/441976498.db2.gz KCKUEYKKGLTBLM-HNNXBMFYSA-N 1 1 332.400 1.801 50 0 EDAAMO C[N@@H+](C[C@@H](O)CN1CCOCC1)[C@@H]1CCc2c1cc(F)cc2F ZINC000095433856 441927426 /nfs/dbraw/zinc/92/74/26/441927426.db2.gz FOYOEEOAQHTYAM-CXAGYDPISA-N 1 1 326.387 1.577 50 0 EDAAMO CC[N@H+]1CCC[C@H](NC(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000069416927 441929292 /nfs/dbraw/zinc/92/92/92/441929292.db2.gz KQQHPOQXAUKFGD-INIZCTEOSA-N 1 1 342.447 1.721 50 0 EDAAMO C[NH+]1CCN(c2ccc(C(=O)OCCn3cccn3)cc2F)CC1 ZINC000095456254 441930334 /nfs/dbraw/zinc/93/03/34/441930334.db2.gz VMOIUGJBTLEOPE-UHFFFAOYSA-N 1 1 332.379 1.631 50 0 EDAAMO COCC[N@@H+](C)CCCNC(=O)C1=Cc2cccc(OC)c2OC1 ZINC000069438875 441936034 /nfs/dbraw/zinc/93/60/34/441936034.db2.gz YLFQJGMLSGHYJC-UHFFFAOYSA-N 1 1 334.416 1.556 50 0 EDAAMO NC(=O)C1CCN(C(=O)C[N@H+]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000069453423 441941029 /nfs/dbraw/zinc/94/10/29/441941029.db2.gz JUBROIWJXREFQR-GOSISDBHSA-N 1 1 343.471 1.808 50 0 EDAAMO CCCc1n[nH]c([C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CCO2)n1 ZINC000078894346 441988706 /nfs/dbraw/zinc/98/87/06/441988706.db2.gz IDBSFAFRDRBXNW-LSDHHAIUSA-N 1 1 349.479 1.920 50 0 EDAAMO CCCc1nnc([C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CCO2)[nH]1 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Cc1nn(CC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c(=O)o1 ZINC000585121649 448699924 /nfs/dbraw/zinc/69/99/24/448699924.db2.gz VAEYIKUWAKPJBB-CQSZACIVSA-N 1 1 344.415 1.268 50 0 EDAAMO C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000076495459 486965668 /nfs/dbraw/zinc/96/56/68/486965668.db2.gz QFZPDMKCHCEPLE-SOLBZPMBSA-N 1 1 343.471 1.882 50 0 EDAAMO C[C@@H]1C[C@H]1C(=O)NCCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000076495459 486965674 /nfs/dbraw/zinc/96/56/74/486965674.db2.gz QFZPDMKCHCEPLE-SOLBZPMBSA-N 1 1 343.471 1.882 50 0 EDAAMO CN(Cc1nnc(C2CC2)n1C)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000084304269 486255179 /nfs/dbraw/zinc/25/51/79/486255179.db2.gz DYJCEYKSZQYDCW-INIZCTEOSA-N 1 1 326.448 1.794 50 0 EDAAMO O=C1CCCN1CCc1nc(Cc2cccnc2)nn1-c1cc[nH+]cc1 ZINC000670443540 486521284 /nfs/dbraw/zinc/52/12/84/486521284.db2.gz MQAHTFIUZYAOSP-UHFFFAOYSA-N 1 1 348.410 1.813 50 0 EDAAMO Cc1nc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCc3ccccc3C2)cn1C ZINC000670457514 486545793 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ZINC000069417803 441930285 /nfs/dbraw/zinc/93/02/85/441930285.db2.gz KCHIHSHRWWLJJG-NFAHFFEMSA-N 1 1 333.457 1.702 50 0 EDAAMO O=C(C[N@H+]1CCC[C@H]1Cn1cncn1)N(Cc1ccccc1)C1CC1 ZINC000069484850 441947345 /nfs/dbraw/zinc/94/73/45/441947345.db2.gz FWQHWZYKFOTDSL-SFHVURJKSA-N 1 1 339.443 1.934 50 0 EDAAMO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000095973130 441966258 /nfs/dbraw/zinc/96/62/58/441966258.db2.gz GEAMZLCRXBCZPV-GJZGRUSLSA-N 1 1 338.419 1.727 50 0 EDAAMO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000095973130 441966265 /nfs/dbraw/zinc/96/62/65/441966265.db2.gz GEAMZLCRXBCZPV-GJZGRUSLSA-N 1 1 338.419 1.727 50 0 EDAAMO O[C@@H](C[NH+]1CCN(Cc2nc(C3CC3)no2)CC1)c1ccccc1 ZINC000069628580 441995576 /nfs/dbraw/zinc/99/55/76/441995576.db2.gz BUCJORWNWHLOAP-INIZCTEOSA-N 1 1 328.416 1.798 50 0 EDAAMO CC[C@H](C)n1nccc1NC(=O)[C@@H](C)N1CC[NH+](CCOC)CC1 ZINC000069627836 441996108 /nfs/dbraw/zinc/99/61/08/441996108.db2.gz GVEVHWVAFCRLDB-LSDHHAIUSA-N 1 1 337.468 1.445 50 0 EDAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccco2)n1 ZINC000069632891 441998008 /nfs/dbraw/zinc/99/80/08/441998008.db2.gz TXASOJXCBHWLNY-OAHLLOKOSA-N 1 1 331.420 1.611 50 0 EDAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccco2)n1 ZINC000069632891 441998015 /nfs/dbraw/zinc/99/80/15/441998015.db2.gz TXASOJXCBHWLNY-OAHLLOKOSA-N 1 1 331.420 1.611 50 0 EDAAMO COC(=O)CN1CCC([NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000096009247 441980472 /nfs/dbraw/zinc/98/04/72/441980472.db2.gz BARKNMAMGMJFEX-OAHLLOKOSA-N 1 1 328.453 1.580 50 0 EDAAMO CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3C)C2)CC1 ZINC000069588665 441983114 /nfs/dbraw/zinc/98/31/14/441983114.db2.gz PAVSADAZABSCBX-KRWDZBQOSA-N 1 1 329.444 1.475 50 0 EDAAMO O=C(CC[N@H+]1CCC[C@H]1Cn1cncn1)N1CCc2ccccc21 ZINC000069600844 441987111 /nfs/dbraw/zinc/98/71/11/441987111.db2.gz KZVGBXQYYOGVEK-INIZCTEOSA-N 1 1 325.416 1.722 50 0 EDAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)NCCc2ccccc2)n1 ZINC000069617161 441990661 /nfs/dbraw/zinc/99/06/61/441990661.db2.gz FNKJVESKFCLKGM-GOSISDBHSA-N 1 1 341.459 1.718 50 0 EDAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CC(=O)NCCc2ccccc2)n1 ZINC000069617161 441990665 /nfs/dbraw/zinc/99/06/65/441990665.db2.gz FNKJVESKFCLKGM-GOSISDBHSA-N 1 1 341.459 1.718 50 0 EDAAMO C[C@H]1CCCC[C@H]1OCC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000079043713 442011971 /nfs/dbraw/zinc/01/19/71/442011971.db2.gz ARVNKEOSQYVCQQ-DLBZAZTESA-N 1 1 325.497 1.726 50 0 EDAAMO CCC[N@H+]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000069743570 442029855 /nfs/dbraw/zinc/02/98/55/442029855.db2.gz PEKRYSGPXYMJMJ-UHFFFAOYSA-N 1 1 342.461 1.810 50 0 EDAAMO O=C(C[N@H+]1CCC[C@@H](Cn2cncn2)C1)NCCC1=CCCCC1 ZINC000069776821 442037313 /nfs/dbraw/zinc/03/73/13/442037313.db2.gz GOPJDFIAZNLQKC-QGZVFWFLSA-N 1 1 331.464 1.997 50 0 EDAAMO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1csc(N(CC)C(C)=O)n1)CC2 ZINC000069808180 442044283 /nfs/dbraw/zinc/04/42/83/442044283.db2.gz DSEODYDARKPGSV-LBPRGKRZSA-N 1 1 348.476 1.774 50 0 EDAAMO C[NH+](C)C[C@@H]1CN(CCCS(=O)(=O)c2ccccc2)CCO1 ZINC000069818921 442050381 /nfs/dbraw/zinc/05/03/81/442050381.db2.gz DZNNWNGJVXXERS-OAHLLOKOSA-N 1 1 326.462 1.113 50 0 EDAAMO CCOc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2Cn2cncn2)cc1 ZINC000069843166 442053796 /nfs/dbraw/zinc/05/37/96/442053796.db2.gz APSLCBGKBKCLKA-HZPDHXFCSA-N 1 1 346.431 1.581 50 0 EDAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(N(C)C)nn2)C1 ZINC000069848626 442056523 /nfs/dbraw/zinc/05/65/23/442056523.db2.gz KXBRCRSPSVIQRL-CYBMUJFWSA-N 1 1 328.420 1.779 50 0 EDAAMO CCOCC[N@H+]1CCN(Cc2cn3c(n2)nc(C)cc3C)C[C@@H]1C ZINC000069846524 442056675 /nfs/dbraw/zinc/05/66/75/442056675.db2.gz WFGQBDYKJRNTHS-INIZCTEOSA-N 1 1 331.464 1.889 50 0 EDAAMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2nccn2C)CC1 ZINC000069901547 442072165 /nfs/dbraw/zinc/07/21/65/442072165.db2.gz IDGODAUJJKLRRQ-MRXNPFEDSA-N 1 1 333.480 1.329 50 0 EDAAMO Cc1ccc(CNC(=O)CN(C)CC2CC[NH+](CCO)CC2)s1 ZINC000069927501 442078493 /nfs/dbraw/zinc/07/84/93/442078493.db2.gz VZAUQBKQUZTLEB-UHFFFAOYSA-N 1 1 339.505 1.309 50 0 EDAAMO CC(C)C[N@H+]1CCO[C@@H](CNc2ccc3nnc(C4CC4)n3n2)C1 ZINC000096453237 442136187 /nfs/dbraw/zinc/13/61/87/442136187.db2.gz FHIXQWWTVSFQDL-AWEZNQCLSA-N 1 1 330.436 1.770 50 0 EDAAMO O=C1[C@H]2C[N@@H+](CCn3ccnc3)CCN2C(=O)N1c1ccccc1 ZINC000097370614 442191958 /nfs/dbraw/zinc/19/19/58/442191958.db2.gz VJOXIIDXABCSDS-OAHLLOKOSA-N 1 1 325.372 1.036 50 0 EDAAMO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)[C@H]1Cc2ccccc2[C@@H]1O ZINC000097034152 442158100 /nfs/dbraw/zinc/15/81/00/442158100.db2.gz HJRNGAASKPWLON-ROUUACIJSA-N 1 1 336.391 1.873 50 0 EDAAMO Cc1cc(C)cc(C2=CC[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)CC2)c1 ZINC000097057787 442160741 /nfs/dbraw/zinc/16/07/41/442160741.db2.gz FVZNWKBSDZBRPE-UHFFFAOYSA-N 1 1 339.439 1.990 50 0 EDAAMO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000188546195 442761965 /nfs/dbraw/zinc/76/19/65/442761965.db2.gz RZTOWHCIKDTMIV-OAHLLOKOSA-N 1 1 340.512 1.347 50 0 EDAAMO C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000188546195 442761966 /nfs/dbraw/zinc/76/19/66/442761966.db2.gz RZTOWHCIKDTMIV-OAHLLOKOSA-N 1 1 340.512 1.347 50 0 EDAAMO C[N@H+]([C@@H](C(N)=O)c1ccc(F)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000247091462 442834606 /nfs/dbraw/zinc/83/46/06/442834606.db2.gz HQICCNTZSRBZKT-DOTOQJQBSA-N 1 1 343.406 1.743 50 0 EDAAMO C[N@@H+]([C@@H](C(N)=O)c1ccc(F)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000247091462 442834609 /nfs/dbraw/zinc/83/46/09/442834609.db2.gz HQICCNTZSRBZKT-DOTOQJQBSA-N 1 1 343.406 1.743 50 0 EDAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C ZINC000247965553 442875507 /nfs/dbraw/zinc/87/55/07/442875507.db2.gz HOHJYMBSMNYMCL-IAGOWNOFSA-N 1 1 342.443 1.956 50 0 EDAAMO C[C@H](O)C[N@H+]1CCN(CC(=O)NCCCc2ccccc2)C[C@H]1C ZINC000252475106 443024246 /nfs/dbraw/zinc/02/42/46/443024246.db2.gz SRSNPWLPACVKOV-SJORKVTESA-N 1 1 333.476 1.122 50 0 EDAAMO C[C@H](C[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(F)cc1 ZINC000195572844 443033609 /nfs/dbraw/zinc/03/36/09/443033609.db2.gz DOMDLHNPTUNPCT-CYBMUJFWSA-N 1 1 333.407 1.352 50 0 EDAAMO C[C@@H]1C[C@H](C)CN(C(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)C1 ZINC000252517360 443040072 /nfs/dbraw/zinc/04/00/72/443040072.db2.gz GNXDYUWTRSCNBF-YVSFHVDLSA-N 1 1 339.480 1.411 50 0 EDAAMO O=C(Cc1ccc(F)cc1)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000253415158 443060796 /nfs/dbraw/zinc/06/07/96/443060796.db2.gz ZVLZIXOZWYRQJF-PKOBYXMFSA-N 1 1 342.414 1.977 50 0 EDAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CC(Oc2ccccc2F)C1 ZINC000220363603 443065799 /nfs/dbraw/zinc/06/57/99/443065799.db2.gz WWTDGTLBLMGBCF-HNNXBMFYSA-N 1 1 349.406 1.014 50 0 EDAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CC(Oc2ccccc2F)C1 ZINC000220363603 443065801 /nfs/dbraw/zinc/06/58/01/443065801.db2.gz WWTDGTLBLMGBCF-HNNXBMFYSA-N 1 1 349.406 1.014 50 0 EDAAMO Cc1nn(C)c(C)c1[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)C(F)(F)F ZINC000253427126 443066817 /nfs/dbraw/zinc/06/68/17/443066817.db2.gz DIIXMEPCNJKOSS-CYBMUJFWSA-N 1 1 347.385 1.987 50 0 EDAAMO Cc1[nH+]cn(CC(=O)NC[C@H]2CC(=O)N(C)c3ccccc32)c1C ZINC000221324093 443071071 /nfs/dbraw/zinc/07/10/71/443071071.db2.gz JGFDEUVVTAUFAV-CQSZACIVSA-N 1 1 326.400 1.766 50 0 EDAAMO C[C@H](O)C[N@H+]1CCN(CCc2nc3ccccc3c(=O)[nH]2)C[C@H]1C ZINC000253532204 443072008 /nfs/dbraw/zinc/07/20/08/443072008.db2.gz SQEYPGCWXLHVOY-KGLIPLIRSA-N 1 1 330.432 1.265 50 0 EDAAMO CCn1ncc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CO)c1C ZINC000257194644 443122302 /nfs/dbraw/zinc/12/23/02/443122302.db2.gz ULFPFPQMBFBLCC-FUHWJXTLSA-N 1 1 342.443 1.434 50 0 EDAAMO CC[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(OC)c(OC)cc2F)C1 ZINC000229310705 443126010 /nfs/dbraw/zinc/12/60/10/443126010.db2.gz PZWCOHRKEIZOGX-PWSUYJOCSA-N 1 1 346.424 1.461 50 0 EDAAMO COc1ccc(CN2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)cc1F ZINC000237300378 443167701 /nfs/dbraw/zinc/16/77/01/443167701.db2.gz MVSZESZFZNHZCN-AWEZNQCLSA-N 1 1 339.436 1.141 50 0 EDAAMO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(CN2CCOCC2)CC1 ZINC000237876179 443185423 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O=C(NCCc1cccc(C(F)(F)F)c1)N1CC[NH+](CCO)CC1 ZINC000426707412 447493872 /nfs/dbraw/zinc/49/38/72/447493872.db2.gz KRYIFANFFHTDBS-UHFFFAOYSA-N 1 1 345.365 1.567 50 0 EDAAMO O=C(NCC[N@@H+]1CCC[C@H](CO)C1)Nc1cccc(-n2cnnc2)c1 ZINC000426705685 447493936 /nfs/dbraw/zinc/49/39/36/447493936.db2.gz KYYYTWXFJVKBBS-AWEZNQCLSA-N 1 1 344.419 1.093 50 0 EDAAMO Cn1nc(-c2ccccc2)cc1C(=O)NC[C@H]1COCC[N@@H+](C)C1 ZINC000426563016 447472015 /nfs/dbraw/zinc/47/20/15/447472015.db2.gz CWHXNCCGXGXZQS-CQSZACIVSA-N 1 1 328.416 1.395 50 0 EDAAMO COCC[N@H+]1CCC[C@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)C1 ZINC000408512858 447667418 /nfs/dbraw/zinc/66/74/18/447667418.db2.gz YNPFFOYOMVGOEE-KRWDZBQOSA-N 1 1 345.443 1.876 50 0 EDAAMO CC(C)=CC(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000408516645 447670148 /nfs/dbraw/zinc/67/01/48/447670148.db2.gz LCIXPCPWKQTHLO-UHFFFAOYSA-N 1 1 343.427 1.639 50 0 EDAAMO CC(C)(C)OC(=O)NC[C@](C)(O)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000408516925 447671394 /nfs/dbraw/zinc/67/13/94/447671394.db2.gz WMEKYVKGSOHSMT-IYOUNJFTSA-N 1 1 344.496 1.991 50 0 EDAAMO O=S1(=O)CCN(C2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000530548968 447911759 /nfs/dbraw/zinc/91/17/59/447911759.db2.gz ATEFRBDGNPIGGK-DAXSKMNVSA-N 1 1 334.485 1.895 50 0 EDAAMO Cc1cccc2nc(CC[NH2+][C@@H](C)CNS(=O)(=O)C3CC3)[nH]c21 ZINC000584895241 448667975 /nfs/dbraw/zinc/66/79/75/448667975.db2.gz IPPQEEVRXXGJCO-LBPRGKRZSA-N 1 1 336.461 1.474 50 0 EDAAMO C[C@H](CCO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000585122081 448699532 /nfs/dbraw/zinc/69/95/32/448699532.db2.gz MRFGKFQHHPQIJS-HHXXYDBFSA-N 1 1 332.444 1.412 50 0 EDAAMO C[N@H+]1CC[C@@](N)(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)C1 ZINC000643721857 452528087 /nfs/dbraw/zinc/52/80/87/452528087.db2.gz LGXOISPHUOHGNX-INIZCTEOSA-N 1 1 333.823 1.556 50 0 EDAAMO CN1CC[C@@]([NH3+])(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)C1 ZINC000643721857 452528095 /nfs/dbraw/zinc/52/80/95/452528095.db2.gz LGXOISPHUOHGNX-INIZCTEOSA-N 1 1 333.823 1.556 50 0 EDAAMO CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000092072190 485931945 /nfs/dbraw/zinc/93/19/45/485931945.db2.gz YKXPJYQPZHCABU-CYBMUJFWSA-N 1 1 340.493 1.201 50 0 EDAAMO CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000092072190 485931952 /nfs/dbraw/zinc/93/19/52/485931952.db2.gz YKXPJYQPZHCABU-CYBMUJFWSA-N 1 1 340.493 1.201 50 0 EDAAMO Cn1cc(CCC(=O)NCC[N@H+]2CC[C@H](c3ccccc3)C2)cn1 ZINC000670442947 486522254 /nfs/dbraw/zinc/52/22/54/486522254.db2.gz HQCYWMRCUYQNEL-SFHVURJKSA-N 1 1 326.444 1.958 50 0 EDAAMO CCOCC[N@@H+]1CCN(CC(=O)N2CCc3ccccc32)C[C@H]1C ZINC000247392734 519919335 /nfs/dbraw/zinc/91/93/35/519919335.db2.gz XIJATSZYFNRUNE-MRXNPFEDSA-N 1 1 331.460 1.618 50 0 EDAAMO CCOCC[N@H+]1CCN(CC(=O)N2CCc3ccccc32)C[C@H]1C ZINC000247392734 519919338 /nfs/dbraw/zinc/91/93/38/519919338.db2.gz XIJATSZYFNRUNE-MRXNPFEDSA-N 1 1 331.460 1.618 50 0 EDAAMO O=C([C@@H]1CSC[NH2+]1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000165862159 534597326 /nfs/dbraw/zinc/59/73/26/534597326.db2.gz 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50 0 EDAAMO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000054395039 214236207 /nfs/dbraw/zinc/23/62/07/214236207.db2.gz GZDBQHVGXCVEPQ-CQSZACIVSA-N 1 1 333.388 1.752 50 0 EDAAMO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)NC(=O)Nc1ccccc1 ZINC000054395039 214236211 /nfs/dbraw/zinc/23/62/11/214236211.db2.gz GZDBQHVGXCVEPQ-CQSZACIVSA-N 1 1 333.388 1.752 50 0 EDAAMO Cc1nnc(SCC(=O)N(CC[NH+](C)C)Cc2ccccc2)[nH]1 ZINC000055052819 214268289 /nfs/dbraw/zinc/26/82/89/214268289.db2.gz VBTDMXLLKHZKLD-UHFFFAOYSA-N 1 1 333.461 1.796 50 0 EDAAMO Cc1n[nH]c(SCC(=O)N(CC[NH+](C)C)Cc2ccccc2)n1 ZINC000055052819 214268292 /nfs/dbraw/zinc/26/82/92/214268292.db2.gz VBTDMXLLKHZKLD-UHFFFAOYSA-N 1 1 333.461 1.796 50 0 EDAAMO Nc1nnc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)s1 ZINC000055575399 214330228 /nfs/dbraw/zinc/33/02/28/214330228.db2.gz YDBWLIPOZMEAFJ-LLVKDONJSA-N 1 1 335.433 1.284 50 0 EDAAMO O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1cnc(-c2cccnc2)nc1 ZINC000097823104 219059116 /nfs/dbraw/zinc/05/91/16/219059116.db2.gz LLDPQHYUCYLNNN-INIZCTEOSA-N 1 1 341.415 1.115 50 0 EDAAMO COc1c(C[NH2+]CC(=O)NCc2ccccc2)c(C(C)C)nn1C ZINC000065474725 214924013 /nfs/dbraw/zinc/92/40/13/214924013.db2.gz XYVZKGICGPDKJM-UHFFFAOYSA-N 1 1 330.432 1.958 50 0 EDAAMO Cc1nc([C@H]2OCC[C@H]2CNC(=O)c2c[nH+]ccc2N(C)C)n[nH]1 ZINC000685940136 539577492 /nfs/dbraw/zinc/57/74/92/539577492.db2.gz WKRSQDAHUGVWGW-FZMZJTMJSA-N 1 1 330.392 1.082 50 0 EDAAMO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cncnc3OC)C2)[C@H]1C(C)C ZINC000685940970 539580450 /nfs/dbraw/zinc/58/04/50/539580450.db2.gz MKGOGGCBHBFXMW-KONPQCLYSA-N 1 1 334.464 1.445 50 0 EDAAMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NCc3cncnc3OC)C2)[C@H]1C(C)C ZINC000685940970 539580453 /nfs/dbraw/zinc/58/04/53/539580453.db2.gz MKGOGGCBHBFXMW-KONPQCLYSA-N 1 1 334.464 1.445 50 0 EDAAMO CCNC(=O)[C@]12C[N@@H+](Cc3nc4ccccc4o3)C[C@@H]1COCC2 ZINC000685940920 539578759 /nfs/dbraw/zinc/57/87/59/539578759.db2.gz ZYMWDFOFJJDYTD-FZKQIMNGSA-N 1 1 329.400 1.802 50 0 EDAAMO Cc1ccc(OCC[N@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1 ZINC000067489565 215153664 /nfs/dbraw/zinc/15/36/64/215153664.db2.gz BRCWLQADJOYGHD-UHFFFAOYSA-N 1 1 326.462 1.730 50 0 EDAAMO CC(C)Cc1ncc2c(n1)CN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC000067676415 215182852 /nfs/dbraw/zinc/18/28/52/215182852.db2.gz WBOZMFHHWGBGRQ-AWEZNQCLSA-N 1 1 332.448 1.486 50 0 EDAAMO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)CO)C2)c(F)c1F ZINC000067654345 215175459 /nfs/dbraw/zinc/17/54/59/215175459.db2.gz KFZSJXXWLOHKNF-NSHDSACASA-N 1 1 328.359 1.294 50 0 EDAAMO COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)CO)C2)c(F)c1F ZINC000067654345 215175464 /nfs/dbraw/zinc/17/54/64/215175464.db2.gz KFZSJXXWLOHKNF-NSHDSACASA-N 1 1 328.359 1.294 50 0 EDAAMO COc1ncc(C[N@@H+]2CC[C@H](CNC(=O)c3occc3C)C2)cn1 ZINC000067726893 215195628 /nfs/dbraw/zinc/19/56/28/215195628.db2.gz OFANFOIPEVXMTD-CYBMUJFWSA-N 1 1 330.388 1.639 50 0 EDAAMO COc1ncc(C[N@H+]2CC[C@H](CNC(=O)c3occc3C)C2)cn1 ZINC000067726893 215195629 /nfs/dbraw/zinc/19/56/29/215195629.db2.gz OFANFOIPEVXMTD-CYBMUJFWSA-N 1 1 330.388 1.639 50 0 EDAAMO CC[C@H](C(=O)N1CCC[N@@H+](C)C2(CCN(C)CC2)C1)n1cccn1 ZINC000067757184 215204833 /nfs/dbraw/zinc/20/48/33/215204833.db2.gz XUZLYWMEWHBMFO-MRXNPFEDSA-N 1 1 333.480 1.463 50 0 EDAAMO Cc1cc(=O)oc2c(C)c(OCC(=O)NC[C@H]3CC[N@H+](C)C3)ccc12 ZINC000067818904 215221576 /nfs/dbraw/zinc/22/15/76/215221576.db2.gz MTKDGBPSNWPARO-CQSZACIVSA-N 1 1 344.411 1.857 50 0 EDAAMO CCC[N@H+]1CCC[C@@H](CCNC(=O)c2ccc3c(c2)no[n+]3[O-])C1 ZINC000067842193 215227695 /nfs/dbraw/zinc/22/76/95/215227695.db2.gz JQSVZORESDQOSS-ZDUSSCGKSA-N 1 1 332.404 1.703 50 0 EDAAMO CCn1ccnc1C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C)nc2)C1 ZINC000067886226 215242397 /nfs/dbraw/zinc/24/23/97/215242397.db2.gz QZMLKOUIOZAQIE-OAHLLOKOSA-N 1 1 327.432 1.858 50 0 EDAAMO CCn1ccnc1C[N@H+]1CC[C@H](CNC(=O)c2ccc(C)nc2)C1 ZINC000067886226 215242400 /nfs/dbraw/zinc/24/24/00/215242400.db2.gz QZMLKOUIOZAQIE-OAHLLOKOSA-N 1 1 327.432 1.858 50 0 EDAAMO Fc1cnc(N2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)nc1 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CC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C)cc2)CCN1CCOC ZINC000229387071 242162480 /nfs/dbraw/zinc/16/24/80/242162480.db2.gz WVYAGOKYDNCKJY-ZWKOTPCHSA-N 1 1 336.476 1.777 50 0 EDAAMO CCS(=O)(=O)c1ccccc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229386857 242164040 /nfs/dbraw/zinc/16/40/40/242164040.db2.gz ARXGJHOUZVTSEY-CABCVRRESA-N 1 1 336.457 1.837 50 0 EDAAMO O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000229514804 242170461 /nfs/dbraw/zinc/17/04/61/242170461.db2.gz FFGWUXWWOBRFSZ-QZTJIDSGSA-N 1 1 330.432 1.568 50 0 EDAAMO Cn1nccc1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000241923266 243005313 /nfs/dbraw/zinc/00/53/13/243005313.db2.gz UELMBDYHBGMHLR-UHFFFAOYSA-N 1 1 334.464 1.964 50 0 EDAAMO C[C@@H](NS(=O)(=O)c1ccnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000241897292 243006358 /nfs/dbraw/zinc/00/63/58/243006358.db2.gz TXMDFIGMVJBYMQ-GDBMZVCRSA-N 1 1 348.472 1.609 50 0 EDAAMO [NH3+][C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCCCc1nc2ccc(F)cc2[nH]1 ZINC000244719107 243067986 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O=C1[C@@H](N2CC[NH+](C[C@@H]3CCCCO3)CC2)CCN1c1ccccc1 ZINC000079035303 217178513 /nfs/dbraw/zinc/17/85/13/217178513.db2.gz WFTWTVYJHKPOTQ-OALUTQOASA-N 1 1 343.471 1.979 50 0 EDAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000012460091 211389165 /nfs/dbraw/zinc/38/91/65/211389165.db2.gz RTGDXGKZOMYRSU-HNNXBMFYSA-N 1 1 326.466 1.174 50 0 EDAAMO Cc1cccc(C[N@H+]2CCN(Cc3cnn(C)c3)C[C@@H]2CCO)n1 ZINC000091503672 218014314 /nfs/dbraw/zinc/01/43/14/218014314.db2.gz DLUYUEFOJLQIER-SFHVURJKSA-N 1 1 329.448 1.192 50 0 EDAAMO Cc1cccc(C[N@@H+]2CCN(Cc3cnn(C)c3)C[C@@H]2CCO)n1 ZINC000091503672 218014316 /nfs/dbraw/zinc/01/43/16/218014316.db2.gz DLUYUEFOJLQIER-SFHVURJKSA-N 1 1 329.448 1.192 50 0 EDAAMO CN1CCN(Cc2ccc(C(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)cc2)CC1 ZINC000091619945 218032428 /nfs/dbraw/zinc/03/24/28/218032428.db2.gz YVGBQPDXAGBOIE-MOPGFXCFSA-N 1 1 342.487 1.243 50 0 EDAAMO COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccccc2F)C1 ZINC000091620462 218032554 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CN1CCN(C[C@@H]2C[N@@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2CO)CC1 ZINC000091724561 218053294 /nfs/dbraw/zinc/05/32/94/218053294.db2.gz JOXUFMXSDMBTQF-CJIROOEOSA-N 1 1 347.478 1.627 50 0 EDAAMO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1CN(c1nc(N)cc[nH+]1)C2 ZINC000091663043 218042421 /nfs/dbraw/zinc/04/24/21/218042421.db2.gz OEYHMCKIMXBRMB-QWHCGFSZSA-N 1 1 342.403 1.291 50 0 EDAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(CCn1c3ccccc3oc1=O)C2 ZINC000091818084 218070581 /nfs/dbraw/zinc/07/05/81/218070581.db2.gz QLNZVQUNNYZRAJ-JKSUJKDBSA-N 1 1 345.443 1.637 50 0 EDAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N1CCC(c2nc(C(C)C)no2)CC1 ZINC000091817902 218070988 /nfs/dbraw/zinc/07/09/88/218070988.db2.gz AYFVIHNQHOEATP-CQSZACIVSA-N 1 1 346.435 1.939 50 0 EDAAMO COCCN1CC[C@]2(C[N@@H+](CCC=C(C)C)CCN2C)CCC1=O ZINC000091876673 218081727 /nfs/dbraw/zinc/08/17/27/218081727.db2.gz DEVXIBPCZCFEOJ-IBGZPJMESA-N 1 1 337.508 1.988 50 0 EDAAMO COCCN1CC[C@]2(CN(CCC=C(C)C)CC[N@@H+]2C)CCC1=O ZINC000091876673 218081730 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c1cc(C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)cs1 ZINC000093562129 218233556 /nfs/dbraw/zinc/23/35/56/218233556.db2.gz YUNMJMLUNWJKPK-UHFFFAOYSA-N 1 1 345.472 1.697 50 0 EDAAMO Cc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)n1 ZINC000095383756 218315596 /nfs/dbraw/zinc/31/55/96/218315596.db2.gz IQWAOUQUHOMBBR-CQSZACIVSA-N 1 1 344.415 1.242 50 0 EDAAMO C[N@H+]1CCC[C@H](CCC(=O)NCc2nc(-c3ncccn3)no2)C1 ZINC000095385446 218316365 /nfs/dbraw/zinc/31/63/65/218316365.db2.gz KDVKYNCATJCMST-GFCCVEGCSA-N 1 1 330.392 1.265 50 0 EDAAMO O=C(NCc1ccnc(N2CCCC2)c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000095394103 218325830 /nfs/dbraw/zinc/32/58/30/218325830.db2.gz JEKZCLVAFLXTDO-QGZVFWFLSA-N 1 1 343.475 1.965 50 0 EDAAMO Cc1[nH+]ccn1CC1(CNC(=O)[C@@H]2CCCCn3nnnc32)CC1 ZINC000097468277 219026593 /nfs/dbraw/zinc/02/65/93/219026593.db2.gz QHNIIUAQHFGXJD-CYBMUJFWSA-N 1 1 329.408 1.042 50 0 EDAAMO Cc1cccc(=O)n1CCC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000097527851 219033296 /nfs/dbraw/zinc/03/32/96/219033296.db2.gz DKPKLENPMHCZJQ-QGZVFWFLSA-N 1 1 325.412 1.720 50 0 EDAAMO COc1ccc(-c2ccc(C[N@@H+]3CCN(C(C)=O)C[C@H](O)C3)o2)cc1 ZINC000097527274 219033546 /nfs/dbraw/zinc/03/35/46/219033546.db2.gz MZAOSDMKIWMTPA-MRXNPFEDSA-N 1 1 344.411 1.980 50 0 EDAAMO COc1ccc(-c2ccc(C[N@H+]3CCN(C(C)=O)C[C@H](O)C3)o2)cc1 ZINC000097527274 219033548 /nfs/dbraw/zinc/03/35/48/219033548.db2.gz MZAOSDMKIWMTPA-MRXNPFEDSA-N 1 1 344.411 1.980 50 0 EDAAMO C[NH+](C)Cc1csc(CN2CC[C@H]3[C@H](C2)OCc2cnnn23)c1 ZINC000299770958 258083696 /nfs/dbraw/zinc/08/36/96/258083696.db2.gz TVDXFSGVPIFSMH-HOTGVXAUSA-N 1 1 333.461 1.747 50 0 EDAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](Nc2cccc(C(F)(F)F)n2)[C@H](O)C1 ZINC000299771621 258083999 /nfs/dbraw/zinc/08/39/99/258083999.db2.gz UPOZWHZXSFUADA-GHMZBOCLSA-N 1 1 346.353 1.036 50 0 EDAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](Nc2cccc(C(F)(F)F)n2)[C@H](O)C1 ZINC000299771621 258084000 /nfs/dbraw/zinc/08/40/00/258084000.db2.gz UPOZWHZXSFUADA-GHMZBOCLSA-N 1 1 346.353 1.036 50 0 EDAAMO 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C[N@H+]1CCN(CCNC(=O)Nc2nncs2)[C@H](c2ccccc2)C1 ZINC000048333334 441294586 /nfs/dbraw/zinc/29/45/86/441294586.db2.gz HNBBTRNXXXCTLN-AWEZNQCLSA-N 1 1 346.460 1.648 50 0 EDAAMO C[N@H+](Cc1ccsc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000024960622 441324906 /nfs/dbraw/zinc/32/49/06/441324906.db2.gz HBYZYTCXIZHNDE-CYBMUJFWSA-N 1 1 330.409 1.837 50 0 EDAAMO CC(C)[C@H](C(=O)NCc1ccc(N(C)C)nc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106153821 441328029 /nfs/dbraw/zinc/32/80/29/441328029.db2.gz YKBPURASNFLMAS-IIDMSEBBSA-N 1 1 348.491 1.898 50 0 EDAAMO CC(C)C[N@H+]1CCN(c2cc(NC3CC3)nc(N)n2)C[C@H]1CCO ZINC000106258387 441330329 /nfs/dbraw/zinc/33/03/29/441330329.db2.gz HABQOMHCHBXUET-CQSZACIVSA-N 1 1 334.468 1.162 50 0 EDAAMO Cc1nnc(-c2cccc(C(=O)N[C@@H](C)CC[NH+]3CCOCC3)c2)o1 ZINC000073619995 441333927 /nfs/dbraw/zinc/33/39/27/441333927.db2.gz RDEOIJSGRHMOTG-ZDUSSCGKSA-N 1 1 344.415 1.886 50 0 EDAAMO CC(C)C[C@@H](C(=O)N1CC[NH+](C)CC1)N1C(=O)c2ccccc2C1=O ZINC000024632031 441316055 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