smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)c1O ZINC001205688326 924477413 /nfs/dbraw/zinc/47/74/13/924477413.db2.gz FUSRVBXWCXXUEZ-OAHLLOKOSA-N 1 3 264.369 1.376 20 10 CDCDHO Cc1cccc(C[N@H+]2CCCC[C@@](O)(CN)C2)c1O ZINC001205688326 924477420 /nfs/dbraw/zinc/47/74/20/924477420.db2.gz FUSRVBXWCXXUEZ-OAHLLOKOSA-N 1 3 264.369 1.376 20 10 CDCDHO [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC001205230167 939839402 /nfs/dbraw/zinc/83/94/02/939839402.db2.gz QUPFEQNHTCYCQC-AWEZNQCLSA-N 1 3 268.332 1.207 20 10 CDCDHO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC001205230167 939839405 /nfs/dbraw/zinc/83/94/05/939839405.db2.gz QUPFEQNHTCYCQC-AWEZNQCLSA-N 1 3 268.332 1.207 20 10 CDCDHO Cc1cc(C)c(C[N@@H+]2CCCC[C@@](O)(CN)C2)c(O)c1 ZINC001205688376 939920046 /nfs/dbraw/zinc/92/00/46/939920046.db2.gz GULVWXHVXKLVJJ-MRXNPFEDSA-N 1 3 278.396 1.685 20 10 CDCDHO Cc1cc(C)c(C[N@H+]2CCCC[C@@](O)(CN)C2)c(O)c1 ZINC001205688376 939920051 /nfs/dbraw/zinc/92/00/51/939920051.db2.gz GULVWXHVXKLVJJ-MRXNPFEDSA-N 1 3 278.396 1.685 20 10 CDCDHO Oc1ccc([C@H](O)CNC2CC[NH+](C3CC3)CC2)cc1O ZINC001256065893 948192521 /nfs/dbraw/zinc/19/25/21/948192521.db2.gz IHLPFTCKKYMTAC-MRXNPFEDSA-N 1 3 292.379 1.348 20 10 CDCDHO COc1ccc(O)c(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1 ZINC000037649067 524752177 /nfs/dbraw/zinc/75/21/77/524752177.db2.gz QTYISILIWBTGKX-LBPRGKRZSA-N 1 3 276.380 1.975 20 10 CDCDHO COc1cc(CN2CCC[C@@](C)([NH3+])CC2)c(O)cc1O ZINC001205281276 918663398 /nfs/dbraw/zinc/66/33/98/918663398.db2.gz RJAKJKRZKBQIGW-OAHLLOKOSA-N 1 3 280.368 1.810 20 10 CDCDHO CN(C)c1ccc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c2ccccc21 ZINC001206464550 940043360 /nfs/dbraw/zinc/04/33/60/940043360.db2.gz QCCCBKMPVFTBFA-KBXCAEBGSA-N 1 3 299.418 1.657 20 10 CDCDHO CCc1ccc(CN2CCN(CC[NH+](C)C)CC2)c(O)c1 ZINC001236784053 944567111 /nfs/dbraw/zinc/56/71/11/944567111.db2.gz RNCJQABIDBZNJW-UHFFFAOYSA-N 1 3 291.439 1.634 20 10 CDCDHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843058706 618691780 /nfs/dbraw/zinc/69/17/80/618691780.db2.gz WVENNANUNGTFAJ-GDBMZVCRSA-N 1 3 289.423 1.692 20 10 CDCDHO COc1cccc(CN[C@H](C[NH3+])CC(C)C)c1O ZINC000841038892 621532111 /nfs/dbraw/zinc/53/21/11/621532111.db2.gz TXKDHTMSIWHHRE-LBPRGKRZSA-N 1 3 252.358 1.864 20 10 CDCDHO Cc1cccc(O)c1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000876965518 679817979 /nfs/dbraw/zinc/81/79/79/679817979.db2.gz DZOZYSMANWIDMQ-CYBMUJFWSA-N 1 3 264.369 1.247 20 10 CDCDHO C[NH+](C)CCOCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000382181735 681521367 /nfs/dbraw/zinc/52/13/67/681521367.db2.gz UKLDDFSAAJJWNU-CYBMUJFWSA-N 1 3 264.369 1.547 20 10 CDCDHO CC(C)[C@@](C)(C[NH3+])NCc1ccc(N2CCOCC2)cc1 ZINC000923296432 682232500 /nfs/dbraw/zinc/23/25/00/682232500.db2.gz RUETWORSSDBMBX-QGZVFWFLSA-N 1 3 291.439 1.986 20 10 CDCDHO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000841023441 682435782 /nfs/dbraw/zinc/43/57/82/682435782.db2.gz CWWGIZGPXVVRSX-RHSMWYFYSA-N 1 3 288.439 1.360 20 10 CDCDHO COc1cccc(CNC[C@]2(C)CCC[NH2+]C2)c1O ZINC000841058380 682711094 /nfs/dbraw/zinc/71/10/94/682711094.db2.gz WRTQNRISXTYLJF-OAHLLOKOSA-N 1 3 264.369 1.880 20 10 CDCDHO COc1cccc(CN[C@@H]2CCC[NH2+]CC2)c1O ZINC000841057456 683313532 /nfs/dbraw/zinc/31/35/32/683313532.db2.gz KUZUEEUKRSHBMY-GFCCVEGCSA-N 1 3 250.342 1.633 20 10 CDCDHO CCN1C[C@H]2C[NH+](Cc3cccc(OC)c3O)C[C@@H]2C1 ZINC001203601974 919333722 /nfs/dbraw/zinc/33/37/22/919333722.db2.gz UNIXSSJHPIZFEJ-KBPBESRZSA-N 1 3 276.380 1.784 20 10 CDCDHO CN(CCC[NH3+])Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327819424 955061673 /nfs/dbraw/zinc/06/16/73/955061673.db2.gz RPBJRSBOKMTVEW-UHFFFAOYSA-N 1 3 294.418 1.358 20 10 CDCDHO COc1cc(Cl)cc(C[NH2+]CCN2CC[NH2+]CC2)c1[O-] ZINC000841045079 618678632 /nfs/dbraw/zinc/67/86/32/618678632.db2.gz NHEJBOYUYUBJRK-UHFFFAOYSA-N 1 3 299.802 1.049 20 10 CDCDHO C[C@@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000817945082 684872499 /nfs/dbraw/zinc/87/24/99/684872499.db2.gz TYYSZWRSRRPHBU-DGCLKSJQSA-N 1 3 293.386 1.574 20 10 CDCDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000817896221 686215967 /nfs/dbraw/zinc/21/59/67/686215967.db2.gz ZPCDGFNZERNXJJ-ZIAGYGMSSA-N 1 3 277.412 1.739 20 10 CDCDHO COc1ccc(O)c(CNC[C@]2(C)CCC[NH2+]C2)c1 ZINC000841056411 687236927 /nfs/dbraw/zinc/23/69/27/687236927.db2.gz GRGFZYIKPUFCND-OAHLLOKOSA-N 1 3 264.369 1.880 20 10 CDCDHO C[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccc1[O-] ZINC001579414456 1172172020 /nfs/dbraw/zinc/17/20/20/1172172020.db2.gz DLIXVVGQQAAYSF-NEPJUHHUSA-N 1 3 262.353 1.564 20 10 CDCDHO COc1cc(CN2CCCC[C@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001206640931 937282489 /nfs/dbraw/zinc/28/24/89/937282489.db2.gz PNORWYVEHZZGMF-GFCCVEGCSA-N 1 3 294.395 1.970 20 10 CDCDHO CCc1ccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)c(O)c1 ZINC001205726225 939927543 /nfs/dbraw/zinc/92/75/43/939927543.db2.gz RHRXRTQIVGEZHN-MRXNPFEDSA-N 1 3 278.396 1.630 20 10 CDCDHO CCc1ccc(C[N@H+]2CCCC[C@@](O)(CN)C2)c(O)c1 ZINC001205726225 939927545 /nfs/dbraw/zinc/92/75/45/939927545.db2.gz RHRXRTQIVGEZHN-MRXNPFEDSA-N 1 3 278.396 1.630 20 10 CDCDHO Cc1cc(C)c(CN2CCN(CC[NH+](C)C)CC2)c(O)c1 ZINC001231842397 943025733 /nfs/dbraw/zinc/02/57/33/943025733.db2.gz RHMALVLAQGUHQA-UHFFFAOYSA-N 1 3 291.439 1.688 20 10 CDCDHO COc1ccc(O)c(CNC2(C)CC[NH2+]CC2)c1 ZINC000841065577 618680281 /nfs/dbraw/zinc/68/02/81/618680281.db2.gz QSOUNCPEKHVVGX-UHFFFAOYSA-N 1 3 250.342 1.633 20 10 CDCDHO COc1cccc(O)c1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843058453 618691735 /nfs/dbraw/zinc/69/17/35/618691735.db2.gz SMLPCBGVLFIBFW-MNOVXSKESA-N 1 3 250.342 1.570 20 10 CDCDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000817901772 694813085 /nfs/dbraw/zinc/81/30/85/694813085.db2.gz YHVIEOZSBGQUEN-CORIIIEPSA-N 1 3 295.402 1.734 20 10 CDCDHO [O-]c1ccc(F)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841081330 695084437 /nfs/dbraw/zinc/08/44/37/695084437.db2.gz ZXMCADDKGQLESR-ZDUSSCGKSA-N 1 3 250.317 1.763 20 10 CDCDHO C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000775638423 924467090 /nfs/dbraw/zinc/46/70/90/924467090.db2.gz CWVIIUBKGCRKIM-OAHLLOKOSA-N 1 3 288.439 1.232 20 10 CDCDHO NC[C@H]([NH3+])Cc1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217727279 941012184 /nfs/dbraw/zinc/01/21/84/941012184.db2.gz VOXMGBLNSCPWGY-GFCCVEGCSA-N 1 3 283.335 1.356 20 10 CDCDHO CCN1CCN(c2ccc(CN3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC001236169315 944420975 /nfs/dbraw/zinc/42/09/75/944420975.db2.gz CTQUSKUVSORLEX-MRXNPFEDSA-N 1 3 288.439 1.362 20 10 CDCDHO CN(C)c1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000077450415 342330359 /nfs/dbraw/zinc/33/03/59/342330359.db2.gz QHJADZUFHSKILB-UHFFFAOYSA-N 1 3 277.412 1.299 20 10 CDCDHO COc1cc(O)c(CN2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000843057854 618691762 /nfs/dbraw/zinc/69/17/62/618691762.db2.gz MNFMNHSFAJHDEH-MNOVXSKESA-N 1 3 280.368 1.579 20 10 CDCDHO CC[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N(C)C ZINC000863584490 695218944 /nfs/dbraw/zinc/21/89/44/695218944.db2.gz DPXSNVZSQDHZNO-GJZGRUSLSA-N 1 3 292.427 1.209 20 10 CDCDHO CCOc1cccc(CN2CC[C@@H](C[NH3+])C2)c1O ZINC000050245079 695403806 /nfs/dbraw/zinc/40/38/06/695403806.db2.gz DYIBZIQQZSGJPE-NSHDSACASA-N 1 3 250.342 1.572 20 10 CDCDHO NC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000841050045 695705195 /nfs/dbraw/zinc/70/51/95/695705195.db2.gz DKYKRVLQJYXERX-UHFFFAOYSA-N 1 3 250.298 1.092 20 10 CDCDHO COc1cccc(CN2CC[C@@](C)(C[NH3+])C2)c1O ZINC000310989445 723758479 /nfs/dbraw/zinc/75/84/79/723758479.db2.gz HKNBVBFOEXZBSV-AWEZNQCLSA-N 1 3 250.342 1.572 20 10 CDCDHO CCOc1ccc(O)c(C[NH2+]C[C@H](N)C(C)C)c1 ZINC000841028505 724802518 /nfs/dbraw/zinc/80/25/18/724802518.db2.gz HSLAVKQFEZQAKA-ZDUSSCGKSA-N 1 3 252.358 1.864 20 10 CDCDHO Cc1cccc(O)c1C[NH+]1CCC(N(C)CCCO)CC1 ZINC000876737174 724808655 /nfs/dbraw/zinc/80/86/55/724808655.db2.gz PKDXVSOPSWWXGM-UHFFFAOYSA-N 1 3 292.423 1.979 20 10 CDCDHO COc1ccc(O)c(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171744 725334497 /nfs/dbraw/zinc/33/44/97/725334497.db2.gz FXMVBDOIIDMCQB-VXGBXAGGSA-N 1 3 264.369 1.960 20 10 CDCDHO NCc1ccc2c(n1)N(c1cc(C3C[NH2+]C3)ncn1)CCC2 ZINC001158658323 938647282 /nfs/dbraw/zinc/64/72/82/938647282.db2.gz FGMYTJCXUXKURG-UHFFFAOYSA-N 1 3 296.378 1.101 20 10 CDCDHO C[NH+](C)CCCC[C@H](N)C(=O)NCc1ccccc1O ZINC001219923752 941397300 /nfs/dbraw/zinc/39/73/00/941397300.db2.gz ZVEOZZJDIAJEIG-ZDUSSCGKSA-N 1 3 279.384 1.068 20 10 CDCDHO CCOc1ccc(C[NH2+]C[C@@H](C)C[NH2+]C)c([O-])c1 ZINC001261370519 946071500 /nfs/dbraw/zinc/07/15/00/946071500.db2.gz LSRYPUOCYQNCJE-NSHDSACASA-N 1 3 252.358 1.736 20 10 CDCDHO C[C@H](CC[NH+](C)C)NCc1ccc(N2CCOCC2)cc1 ZINC000049553590 727304866 /nfs/dbraw/zinc/30/48/66/727304866.db2.gz FRZUBDMMLGTVAD-OAHLLOKOSA-N 1 3 291.439 1.953 20 10 CDCDHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(O)c(C)c3O)C[C@@H]2C1 ZINC001140749515 936749456 /nfs/dbraw/zinc/74/94/56/936749456.db2.gz CHMPXQPNXABBKZ-OKILXGFUSA-N 1 3 276.380 1.790 20 10 CDCDHO CCN1C[C@@H]2C[N@H+](Cc3ccc(O)c(C)c3O)C[C@@H]2C1 ZINC001140749515 936749458 /nfs/dbraw/zinc/74/94/58/936749458.db2.gz CHMPXQPNXABBKZ-OKILXGFUSA-N 1 3 276.380 1.790 20 10 CDCDHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001203552280 939692949 /nfs/dbraw/zinc/69/29/49/939692949.db2.gz HLDRKRQCAQBRPG-JKSUJKDBSA-N 1 3 289.423 1.602 20 10 CDCDHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001203552280 939692950 /nfs/dbraw/zinc/69/29/50/939692950.db2.gz HLDRKRQCAQBRPG-JKSUJKDBSA-N 1 3 289.423 1.602 20 10 CDCDHO Cc1c(O)ccc(CN2CCC[C@H]([NH3+])CC2)c1O ZINC001205110481 939824206 /nfs/dbraw/zinc/82/42/06/939824206.db2.gz TXQLCEIGIQLAHK-LBPRGKRZSA-N 1 3 250.342 1.719 20 10 CDCDHO COc1ccc(N2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000019483903 358070406 /nfs/dbraw/zinc/07/04/06/358070406.db2.gz GHGLPFYXLDICJV-UHFFFAOYSA-N 1 3 289.423 1.817 20 10 CDCDHO CC(C)N(C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280529 730015233 /nfs/dbraw/zinc/01/52/33/730015233.db2.gz PASSGDXKZWULCZ-OAHLLOKOSA-N 1 3 292.427 1.209 20 10 CDCDHO COc1cccc(O)c1CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000843052775 730291707 /nfs/dbraw/zinc/29/17/07/730291707.db2.gz WEAVCUZHBYPHHW-NEPJUHHUSA-N 1 3 264.369 1.960 20 10 CDCDHO CCOc1ccc(O)c(C[NH2+]C[C@H](N)C2CC2)c1 ZINC000841051562 730330543 /nfs/dbraw/zinc/33/05/43/730330543.db2.gz XMVJNYCXNAMLOT-ZDUSSCGKSA-N 1 3 250.342 1.618 20 10 CDCDHO COc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000841085322 906923626 /nfs/dbraw/zinc/92/36/26/906923626.db2.gz ZHVSJUFVFZOOCH-QWRGUYRKSA-N 1 3 250.342 1.618 20 10 CDCDHO CC[NH+]1CCN(c2ccc(CN3CC(CO)C3)cc2)CC1 ZINC001140303908 936699672 /nfs/dbraw/zinc/69/96/72/936699672.db2.gz DPSHJKRCTSNPBP-UHFFFAOYSA-N 1 3 289.423 1.253 20 10 CDCDHO C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Cl)cc1[O-] ZINC001140467233 936713072 /nfs/dbraw/zinc/71/30/72/936713072.db2.gz QPUOQPFODYRATM-UHFFFAOYSA-N 1 3 299.846 1.971 20 10 CDCDHO CCOc1ccc(O)c(CN2CC[C@](C)(C[NH3+])C2)c1 ZINC000843116250 937113849 /nfs/dbraw/zinc/11/38/49/937113849.db2.gz KAZPMHHCGGMJDS-OAHLLOKOSA-N 1 3 264.369 1.962 20 10 CDCDHO [NH3+]C[C@H]1CCCCN(Cc2cc(O)ccc2O)C1 ZINC001206623579 940073675 /nfs/dbraw/zinc/07/36/75/940073675.db2.gz NGBLLWCKDOBCTR-LLVKDONJSA-N 1 3 250.342 1.659 20 10 CDCDHO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000268415031 364048146 /nfs/dbraw/zinc/04/81/46/364048146.db2.gz JECPTINEAZTEQD-UHFFFAOYSA-N 1 3 278.396 1.717 20 10 CDCDHO CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([O-])c1 ZINC000843056915 730574385 /nfs/dbraw/zinc/57/43/85/730574385.db2.gz BUEIKXLDMCAQSZ-NWDGAFQWSA-N 1 3 264.369 1.960 20 10 CDCDHO CCOc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([O-])c1 ZINC000843056915 730574387 /nfs/dbraw/zinc/57/43/87/730574387.db2.gz BUEIKXLDMCAQSZ-NWDGAFQWSA-N 1 3 264.369 1.960 20 10 CDCDHO C[C@H]([NH3+])[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843057012 731845181 /nfs/dbraw/zinc/84/51/81/731845181.db2.gz FERAKTLXGSZXRH-VHSXEESVSA-N 1 3 264.325 1.290 20 10 CDCDHO CCOCc1cc(CNC[C@@H](C)C[NH3+])ccc1OC ZINC000841050166 731923308 /nfs/dbraw/zinc/92/33/08/731923308.db2.gz YOXPGTVECZIYED-LBPRGKRZSA-N 1 3 266.385 1.916 20 10 CDCDHO COc1cccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)c1O ZINC000846142772 732884491 /nfs/dbraw/zinc/88/44/91/732884491.db2.gz CJEPJKPVCDLAJZ-GFCCVEGCSA-N 1 3 294.395 1.508 20 10 CDCDHO COc1cc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)c(O)c(OC)c1 ZINC001206201632 912556068 /nfs/dbraw/zinc/55/60/68/912556068.db2.gz YSDBMLQPDDIYJJ-QWHCGFSZSA-N 1 3 298.358 1.671 20 10 CDCDHO COc1cc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)c(O)c(OC)c1 ZINC001206201632 912556080 /nfs/dbraw/zinc/55/60/80/912556080.db2.gz YSDBMLQPDDIYJJ-QWHCGFSZSA-N 1 3 298.358 1.671 20 10 CDCDHO CN1C[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCN4C)C[C@@H]2C1 ZINC001141143999 899789337 /nfs/dbraw/zinc/78/93/37/899789337.db2.gz RSCOLSUFVPWGTC-GASCZTMLSA-N 1 3 287.407 1.509 20 10 CDCDHO CN1C[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCN4C)C[C@@H]2C1 ZINC001141143999 899789344 /nfs/dbraw/zinc/78/93/44/899789344.db2.gz RSCOLSUFVPWGTC-GASCZTMLSA-N 1 3 287.407 1.509 20 10 CDCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)c1[O-] ZINC000817944864 930642432 /nfs/dbraw/zinc/64/24/32/930642432.db2.gz NXVXWTGUUAMVQV-GFCCVEGCSA-N 1 3 297.830 1.910 20 10 CDCDHO COc1cc(O)c(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1OC ZINC001206200119 939997425 /nfs/dbraw/zinc/99/74/25/939997425.db2.gz QIOPPGWQUWIHJQ-NWDGAFQWSA-N 1 3 298.358 1.671 20 10 CDCDHO COc1cc(O)c(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1OC ZINC001206200119 939997429 /nfs/dbraw/zinc/99/74/29/939997429.db2.gz QIOPPGWQUWIHJQ-NWDGAFQWSA-N 1 3 298.358 1.671 20 10 CDCDHO CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001514581087 976310875 /nfs/dbraw/zinc/31/08/75/976310875.db2.gz HUWVXSSXLDYGFH-GJZGRUSLSA-N 1 3 292.427 1.209 20 10 CDCDHO COc1ccc(O)c([C@H](C)N[C@H](C[NH3+])C2CC2)c1 ZINC000817960403 733176324 /nfs/dbraw/zinc/17/63/24/733176324.db2.gz MUSNBVPGYOBWCC-TVQRCGJNSA-N 1 3 250.342 1.789 20 10 CDCDHO CCN1CCN(CCC[NH2+]Cc2c(C)cccc2O)CC1 ZINC000877146207 733222472 /nfs/dbraw/zinc/22/24/72/733222472.db2.gz UNPAREWNYBEYFE-UHFFFAOYSA-N 1 3 291.439 1.818 20 10 CDCDHO CCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)c([O-])c1 ZINC000843047701 734291974 /nfs/dbraw/zinc/29/19/74/734291974.db2.gz WRFYHNBJINVNIM-UHFFFAOYSA-N 1 3 264.369 1.962 20 10 CDCDHO CCOc1ccc(O)c(CN2CC[C@@H](C[NH3+])C2)c1 ZINC000843048551 734434485 /nfs/dbraw/zinc/43/44/85/734434485.db2.gz GYHXHJUVQYVOFY-NSHDSACASA-N 1 3 250.342 1.572 20 10 CDCDHO COc1ccc(O)c(CN2CCC[C@@H]([NH3+])CC2)c1 ZINC001205095170 913399017 /nfs/dbraw/zinc/39/90/17/913399017.db2.gz UWZSZKPXSAIFGN-GFCCVEGCSA-N 1 3 250.342 1.714 20 10 CDCDHO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CCC[NH3+] ZINC001161135107 938874377 /nfs/dbraw/zinc/87/43/77/938874377.db2.gz SAVOCVWFIJNLOQ-HNNXBMFYSA-N 1 3 292.427 1.167 20 10 CDCDHO COc1cc(O)c(CN2C[C@H](C)[C@H](C[NH3+])C2)c(OC)c1 ZINC001205140528 939827394 /nfs/dbraw/zinc/82/73/94/939827394.db2.gz LVVDUGRKLYLBHH-WDEREUQCSA-N 1 3 280.368 1.436 20 10 CDCDHO CC[N@@H+]1CCO[C@@H]2CN(Cc3c(C)cccc3O)C[C@@H]2C1 ZINC001237488833 944814420 /nfs/dbraw/zinc/81/44/20/944814420.db2.gz RUEPOZRCTUZIGS-WMLDXEAASA-N 1 3 290.407 1.853 20 10 CDCDHO CC[N@H+]1CCO[C@@H]2CN(Cc3c(C)cccc3O)C[C@@H]2C1 ZINC001237488833 944814426 /nfs/dbraw/zinc/81/44/26/944814426.db2.gz RUEPOZRCTUZIGS-WMLDXEAASA-N 1 3 290.407 1.853 20 10 CDCDHO C[C@@H]([NH3+])CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001345636163 964765991 /nfs/dbraw/zinc/76/59/91/964765991.db2.gz CEKXUZMZYSOZGQ-DOMZBBRYSA-N 1 3 292.427 1.209 20 10 CDCDHO Cc1ccc(O)c(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282303327 367822551 /nfs/dbraw/zinc/82/25/51/367822551.db2.gz JWVIJOFHBFZHDW-UHFFFAOYSA-N 1 3 291.439 1.816 20 10 CDCDHO C[NH+](C)CCN(CC[NH+](C)C)Cc1c([O-])cccc1Cl ZINC000809740743 736750727 /nfs/dbraw/zinc/75/07/27/736750727.db2.gz CKMNTPCGKBAIQZ-UHFFFAOYSA-N 1 3 299.846 1.971 20 10 CDCDHO COc1cccc([O-])c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000843055950 739035320 /nfs/dbraw/zinc/03/53/20/739035320.db2.gz AVETYXRVPIVJQL-UHFFFAOYSA-N 1 3 294.395 1.731 20 10 CDCDHO CCOc1cccc(CN2CC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000252789693 935071895 /nfs/dbraw/zinc/07/18/95/935071895.db2.gz RTAFIZSKVRCCAS-RYUDHWBXSA-N 1 3 264.369 1.960 20 10 CDCDHO CC[N@H+](C)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139253138 936611834 /nfs/dbraw/zinc/61/18/34/936611834.db2.gz NBAOQMBHWYRWTE-UHFFFAOYSA-N 1 3 252.358 1.914 20 10 CDCDHO CC[N@@H+](C)Cc1cc(C[NH+](C)C)c([O-])c(OC)c1 ZINC001139253138 936611835 /nfs/dbraw/zinc/61/18/35/936611835.db2.gz NBAOQMBHWYRWTE-UHFFFAOYSA-N 1 3 252.358 1.914 20 10 CDCDHO Cc1c(O)ccc(C[NH+]2CCC3(CN(C)C3)CC2)c1O ZINC001140747525 936749576 /nfs/dbraw/zinc/74/95/76/936749576.db2.gz DJUBYBFCLBPIRZ-UHFFFAOYSA-N 1 3 276.380 1.934 20 10 CDCDHO CCN(CC)C[C@H](O)C[NH2+]Cc1ccccc1O ZINC000228414538 1159265149 /nfs/dbraw/zinc/26/51/49/1159265149.db2.gz NSFVZUFUIVIRJD-CYBMUJFWSA-N 1 3 252.358 1.185 20 10 CDCDHO COc1ccc(O)c([C@H](C)N[C@@H](C[NH3+])C2CC2)c1 ZINC000817960404 741511610 /nfs/dbraw/zinc/51/16/10/741511610.db2.gz MUSNBVPGYOBWCC-ZANVPECISA-N 1 3 250.342 1.789 20 10 CDCDHO COc1ccc(O)c(CN(C)CC(C)(C)C[NH3+])c1 ZINC000093873094 741775246 /nfs/dbraw/zinc/77/52/46/741775246.db2.gz YLCXBZNOYXFKBN-UHFFFAOYSA-N 1 3 252.358 1.818 20 10 CDCDHO COc1ccc(O)c(CN[C@@H](C[NH3+])CC(C)C)c1 ZINC000841038663 739461863 /nfs/dbraw/zinc/46/18/63/739461863.db2.gz NJGQLWNCWSDRGS-GFCCVEGCSA-N 1 3 252.358 1.864 20 10 CDCDHO CN(c1cc2c(cc1[N+](=O)[O-])CNC2)C(C)(C)C[NH3+] ZINC001170058881 929231395 /nfs/dbraw/zinc/23/13/95/929231395.db2.gz FVZZYQZMLHXBOE-UHFFFAOYSA-N 1 3 264.329 1.372 20 10 CDCDHO COC(=O)Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c([O-])c1 ZINC001205155670 939830817 /nfs/dbraw/zinc/83/08/17/939830817.db2.gz BDVPQRFVHSYYJN-SMDDNHRTSA-N 1 3 292.379 1.134 20 10 CDCDHO COC(=O)Cc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c([O-])c1 ZINC001205155670 939830819 /nfs/dbraw/zinc/83/08/19/939830819.db2.gz BDVPQRFVHSYYJN-SMDDNHRTSA-N 1 3 292.379 1.134 20 10 CDCDHO CCN1CCN(c2ccc(C[N@H+](C)CCO)cc2)CC1 ZINC001236255959 944438724 /nfs/dbraw/zinc/43/87/24/944438724.db2.gz ULNZKITZTNKLKQ-UHFFFAOYSA-N 1 3 277.412 1.253 20 10 CDCDHO CCN1CCN(c2ccc(C[N@@H+](C)CCO)cc2)CC1 ZINC001236255959 944438729 /nfs/dbraw/zinc/43/87/29/944438729.db2.gz ULNZKITZTNKLKQ-UHFFFAOYSA-N 1 3 277.412 1.253 20 10 CDCDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000817902295 749346017 /nfs/dbraw/zinc/34/60/17/749346017.db2.gz MPNUGCOYAZZNAO-NILFDRSVSA-N 1 3 276.380 1.463 20 10 CDCDHO C[C@H]([NH3+])CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122413844 937930236 /nfs/dbraw/zinc/93/02/36/937930236.db2.gz CEKXUZMZYSOZGQ-WFASDCNBSA-N 1 3 292.427 1.209 20 10 CDCDHO COc1cc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c(O)cc1O ZINC001206190216 939995464 /nfs/dbraw/zinc/99/54/64/939995464.db2.gz ZOGSEQTYJFFMMV-MNOVXSKESA-N 1 3 284.331 1.368 20 10 CDCDHO COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c(O)cc1O ZINC001206190216 939995466 /nfs/dbraw/zinc/99/54/66/939995466.db2.gz ZOGSEQTYJFFMMV-MNOVXSKESA-N 1 3 284.331 1.368 20 10 CDCDHO C[N@@H+]1CC[C@@H]2CN(Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233483633 943592098 /nfs/dbraw/zinc/59/20/98/943592098.db2.gz GTKTVKHHOVFLNI-PWSUYJOCSA-N 1 3 278.352 1.187 20 10 CDCDHO C[N@H+]1CC[C@@H]2CN(Cc3cc(O)c(O)cc3O)C[C@@H]2C1 ZINC001233483633 943592102 /nfs/dbraw/zinc/59/21/02/943592102.db2.gz GTKTVKHHOVFLNI-PWSUYJOCSA-N 1 3 278.352 1.187 20 10 CDCDHO Nc1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC001352788517 967482274 /nfs/dbraw/zinc/48/22/74/967482274.db2.gz FHLWWVYXNLZJCV-HNNXBMFYSA-N 1 3 290.411 1.088 20 10 CDCDHO COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)c([O-])c1 ZINC000044517031 617582054 /nfs/dbraw/zinc/58/20/54/617582054.db2.gz FXNMIYPAUJPQKT-UHFFFAOYSA-N 1 3 264.369 1.832 20 10 CDCDHO CCOc1ccc(O)c(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000843057542 618690995 /nfs/dbraw/zinc/69/09/95/618690995.db2.gz JNURRONSTUCQRI-VXGBXAGGSA-N 1 3 264.369 1.960 20 10 CDCDHO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@H](N)C3(C)C)C2)cc1 ZINC001579224734 1172119793 /nfs/dbraw/zinc/11/97/93/1172119793.db2.gz UPMGBNUUPTURHB-VBNZEHGJSA-N 1 3 289.423 1.989 20 10 CDCDHO COc1cc(Cl)cc(C[NH2+][C@@H](C)CC[NH3+])c1[O-] ZINC000841051156 751495391 /nfs/dbraw/zinc/49/53/91/751495391.db2.gz OFTVWDSVCWBTGV-QMMMGPOBSA-N 1 3 258.749 1.881 20 10 CDCDHO CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([O-])c1 ZINC000843056914 753540467 /nfs/dbraw/zinc/54/04/67/753540467.db2.gz BUEIKXLDMCAQSZ-NEPJUHHUSA-N 1 3 264.369 1.960 20 10 CDCDHO CCOc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c([O-])c1 ZINC000843056914 753540478 /nfs/dbraw/zinc/54/04/78/753540478.db2.gz BUEIKXLDMCAQSZ-NEPJUHHUSA-N 1 3 264.369 1.960 20 10 CDCDHO CC(C)[C@](C)(C[NH3+])NCc1ccc(N2CCOCC2)cc1 ZINC000923296431 751990085 /nfs/dbraw/zinc/99/00/85/751990085.db2.gz RUETWORSSDBMBX-KRWDZBQOSA-N 1 3 291.439 1.986 20 10 CDCDHO CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1[O-] ZINC000817944518 752007187 /nfs/dbraw/zinc/00/71/87/752007187.db2.gz FMGVNNHBIJSDCU-CQSZACIVSA-N 1 3 263.385 1.338 20 10 CDCDHO C[C@@H](N)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817972594 752155478 /nfs/dbraw/zinc/15/54/78/752155478.db2.gz YFJFCZNAZIUBEI-NEPJUHHUSA-N 1 3 281.375 1.660 20 10 CDCDHO [NH3+]C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC12CCOCC2 ZINC000843124659 752840278 /nfs/dbraw/zinc/84/02/78/752840278.db2.gz FCCXPZTVCQFPES-ZDUSSCGKSA-N 1 3 294.370 1.719 20 10 CDCDHO [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC12CCOCC2 ZINC000843124659 752840285 /nfs/dbraw/zinc/84/02/85/752840285.db2.gz FCCXPZTVCQFPES-ZDUSSCGKSA-N 1 3 294.370 1.719 20 10 CDCDHO C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1[O-] ZINC000219321524 930875167 /nfs/dbraw/zinc/87/51/67/930875167.db2.gz GVFQKPBYXXZHJZ-GFCCVEGCSA-N 1 3 252.358 1.621 20 10 CDCDHO CCC[NH2+]CCNCc1ccc(N2CCN(C)CC2)cc1 ZINC001118019511 937581460 /nfs/dbraw/zinc/58/14/60/937581460.db2.gz OTRYLMSPTFSTOW-UHFFFAOYSA-N 1 3 290.455 1.528 20 10 CDCDHO Cc1c(O)ccc(C[N@@H+]2CCCC[C@](O)(CN)C2)c1O ZINC001205683012 939917279 /nfs/dbraw/zinc/91/72/79/939917279.db2.gz WFZLCMNOXYXGGB-HNNXBMFYSA-N 1 3 280.368 1.082 20 10 CDCDHO Cc1c(O)ccc(C[N@H+]2CCCC[C@](O)(CN)C2)c1O ZINC001205683012 939917281 /nfs/dbraw/zinc/91/72/81/939917281.db2.gz WFZLCMNOXYXGGB-HNNXBMFYSA-N 1 3 280.368 1.082 20 10 CDCDHO COc1cc(C[N@H+](C)CCCN(C)C)c(O)cc1O ZINC001231634705 942949229 /nfs/dbraw/zinc/94/92/29/942949229.db2.gz RGTASYGTXOULNU-UHFFFAOYSA-N 1 3 268.357 1.490 20 10 CDCDHO COc1cc(C[N@@H+](C)CCCN(C)C)c(O)cc1O ZINC001231634705 942949233 /nfs/dbraw/zinc/94/92/33/942949233.db2.gz RGTASYGTXOULNU-UHFFFAOYSA-N 1 3 268.357 1.490 20 10 CDCDHO C[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1[O-] ZINC001246240539 948048870 /nfs/dbraw/zinc/04/88/70/948048870.db2.gz PWCOJYJLEAZLPY-VXGBXAGGSA-N 1 3 261.369 1.137 20 10 CDCDHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000817894914 755196467 /nfs/dbraw/zinc/19/64/67/755196467.db2.gz OWCDFCOVHGJGKK-HOTGVXAUSA-N 1 3 275.396 1.493 20 10 CDCDHO [NH3+]C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843046819 755882228 /nfs/dbraw/zinc/88/22/28/755882228.db2.gz BJZJJNSLGJHLRJ-INIZCTEOSA-N 1 3 289.423 1.694 20 10 CDCDHO C[NH2+]C[C@@H](C)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000853248152 757362933 /nfs/dbraw/zinc/36/29/33/757362933.db2.gz CFANRECCCCAQAM-CQSZACIVSA-N 1 3 276.428 1.136 20 10 CDCDHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854229930 757444898 /nfs/dbraw/zinc/44/48/98/757444898.db2.gz APYFEZMBFZHFTF-IAGOWNOFSA-N 1 3 289.423 1.617 20 10 CDCDHO COc1cccc(CN[C@@H]2CC[NH2+]CC2(C)C)c1O ZINC000841073674 757483874 /nfs/dbraw/zinc/48/38/74/757483874.db2.gz VXWWZJFQRIQDLQ-CYBMUJFWSA-N 1 3 264.369 1.879 20 10 CDCDHO CCc1cccc(C[NH2+]C[C@@H](O)CN2CCCC2)c1O ZINC000848895779 758840293 /nfs/dbraw/zinc/84/02/93/758840293.db2.gz XPPZAGSANASRFB-OAHLLOKOSA-N 1 3 278.396 1.501 20 10 CDCDHO C[C@H]1C[N@H+](Cc2c([O-])cc(O)cc2O)CCC[C@H]1C[NH3+] ZINC001206012965 939967265 /nfs/dbraw/zinc/96/72/65/939967265.db2.gz OJTXOBQMIAPFKZ-QWRGUYRKSA-N 1 3 280.368 1.610 20 10 CDCDHO C[C@H]1C[N@@H+](Cc2c([O-])cc(O)cc2O)CCC[C@H]1C[NH3+] ZINC001206012965 939967267 /nfs/dbraw/zinc/96/72/67/939967267.db2.gz OJTXOBQMIAPFKZ-QWRGUYRKSA-N 1 3 280.368 1.610 20 10 CDCDHO CCOc1ccc(C[NH2+]C[C@H](C)C[NH2+]C)c([O-])c1 ZINC001261370518 946081218 /nfs/dbraw/zinc/08/12/18/946081218.db2.gz LSRYPUOCYQNCJE-LLVKDONJSA-N 1 3 252.358 1.736 20 10 CDCDHO COc1cc(Cl)cc(C[NH2+][C@H](C)CC[NH3+])c1[O-] ZINC000841051155 770354017 /nfs/dbraw/zinc/35/40/17/770354017.db2.gz OFTVWDSVCWBTGV-MRVPVSSYSA-N 1 3 258.749 1.881 20 10 CDCDHO C[C@H](C[NH3+])N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843051459 772810038 /nfs/dbraw/zinc/81/00/38/772810038.db2.gz INLUSFRBYIGJGY-CQSZACIVSA-N 1 3 276.428 1.217 20 10 CDCDHO Cc1cccc([O-])c1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205247399 919396574 /nfs/dbraw/zinc/39/65/74/919396574.db2.gz GSAALAOGUWLCGJ-OAHLLOKOSA-N 1 3 264.369 1.376 20 10 CDCDHO Cc1cccc([O-])c1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205247399 919396584 /nfs/dbraw/zinc/39/65/84/919396584.db2.gz GSAALAOGUWLCGJ-OAHLLOKOSA-N 1 3 264.369 1.376 20 10 CDCDHO CCOc1ccc(O)c(CNC[C@H](C)C[NH2+]C)c1 ZINC001118020439 937581384 /nfs/dbraw/zinc/58/13/84/937581384.db2.gz WAKNNXZSAYBRDV-LLVKDONJSA-N 1 3 252.358 1.736 20 10 CDCDHO Cc1cc(F)cc(CN2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC001205151108 939829063 /nfs/dbraw/zinc/82/90/63/939829063.db2.gz PBKAXZDYZFFYPF-CMPLNLGQSA-N 1 3 252.333 1.866 20 10 CDCDHO [NH3+]C[C@@H]1CCCCN(Cc2cc(O)ccc2O)C1 ZINC001206623580 940073407 /nfs/dbraw/zinc/07/34/07/940073407.db2.gz NGBLLWCKDOBCTR-NSHDSACASA-N 1 3 250.342 1.659 20 10 CDCDHO COc1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(O)c1 ZINC000194537137 941468065 /nfs/dbraw/zinc/46/80/65/941468065.db2.gz REZBVPNNWJUOBS-BETUJISGSA-N 1 3 262.353 1.394 20 10 CDCDHO COc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(O)c1 ZINC000194537137 941468068 /nfs/dbraw/zinc/46/80/68/941468068.db2.gz REZBVPNNWJUOBS-BETUJISGSA-N 1 3 262.353 1.394 20 10 CDCDHO CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([O-])c1 ZINC000843057533 618691349 /nfs/dbraw/zinc/69/13/49/618691349.db2.gz JLPTXSNSWAKTMP-VXGBXAGGSA-N 1 3 264.369 1.960 20 10 CDCDHO CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c([O-])c1 ZINC000843057533 618691352 /nfs/dbraw/zinc/69/13/52/618691352.db2.gz JLPTXSNSWAKTMP-VXGBXAGGSA-N 1 3 264.369 1.960 20 10 CDCDHO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1C[NH2+]C1 ZINC000902517038 624915685 /nfs/dbraw/zinc/91/56/85/624915685.db2.gz JELWTGSLWGVKGK-SUMWQHHRSA-N 1 3 290.455 1.553 20 10 CDCDHO COc1ccc(C[N@H+](C)CCCN(C)C)c(O)c1 ZINC000211495061 1175782936 /nfs/dbraw/zinc/78/29/36/1175782936.db2.gz MSMLCBGVIZDDFA-UHFFFAOYSA-N 1 3 252.358 1.784 20 10 CDCDHO COc1ccc(C[N@@H+](C)CCCN(C)C)c(O)c1 ZINC000211495061 1175782943 /nfs/dbraw/zinc/78/29/43/1175782943.db2.gz MSMLCBGVIZDDFA-UHFFFAOYSA-N 1 3 252.358 1.784 20 10 CDCDHO COc1cccc([O-])c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000841054794 773892901 /nfs/dbraw/zinc/89/29/01/773892901.db2.gz HTZYACIBFMNSMP-QWRGUYRKSA-N 1 3 250.342 1.760 20 10 CDCDHO [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000843122010 774569424 /nfs/dbraw/zinc/56/94/24/774569424.db2.gz MXDDTACINXHECC-CQSZACIVSA-N 1 3 291.395 1.212 20 10 CDCDHO [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000843122010 774569446 /nfs/dbraw/zinc/56/94/46/774569446.db2.gz MXDDTACINXHECC-CQSZACIVSA-N 1 3 291.395 1.212 20 10 CDCDHO Cc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c([O-])c1 ZINC000876925885 775651183 /nfs/dbraw/zinc/65/11/83/775651183.db2.gz GALBZRGAFPHJGC-UHFFFAOYSA-N 1 3 291.439 1.816 20 10 CDCDHO CC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1[O-] ZINC000817937615 776804634 /nfs/dbraw/zinc/80/46/34/776804634.db2.gz YKVRHLGOYHCMNK-HNNXBMFYSA-N 1 3 277.412 1.728 20 10 CDCDHO [NH3+]C[C@H]1CCCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001206639960 937276882 /nfs/dbraw/zinc/27/68/82/937276882.db2.gz HIBYTRKNMJUMJR-SNVBAGLBSA-N 1 3 266.341 1.364 20 10 CDCDHO COc1ccc(C[NH+]2CCC3(CN(C)C3)CC2)c(O)c1 ZINC001203628988 939697764 /nfs/dbraw/zinc/69/77/64/939697764.db2.gz MMOUUEDCJVPBHL-UHFFFAOYSA-N 1 3 276.380 1.928 20 10 CDCDHO COc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205210504 939835439 /nfs/dbraw/zinc/83/54/39/939835439.db2.gz PBDCROYOFURPQU-HNNXBMFYSA-N 1 3 280.368 1.077 20 10 CDCDHO COc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205210504 939835440 /nfs/dbraw/zinc/83/54/40/939835440.db2.gz PBDCROYOFURPQU-HNNXBMFYSA-N 1 3 280.368 1.077 20 10 CDCDHO C[C@H]([NH3+])[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843058708 618691800 /nfs/dbraw/zinc/69/18/00/618691800.db2.gz WVENNANUNGTFAJ-HOCLYGCPSA-N 1 3 289.423 1.692 20 10 CDCDHO COc1cc(O)c(C[NH2+]C[C@H](N)C(C)C)cc1OC ZINC000841029054 781267999 /nfs/dbraw/zinc/26/79/99/781267999.db2.gz FACZFSPRAZDVEL-NSHDSACASA-N 1 3 268.357 1.482 20 10 CDCDHO COc1cccc([O-])c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120203 781602162 /nfs/dbraw/zinc/60/21/62/781602162.db2.gz VKSMNSISNZOKSZ-UHFFFAOYSA-N 1 3 276.380 1.976 20 10 CDCDHO COc1cccc([O-])c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120203 781602178 /nfs/dbraw/zinc/60/21/78/781602178.db2.gz VKSMNSISNZOKSZ-UHFFFAOYSA-N 1 3 276.380 1.976 20 10 CDCDHO C[C@H]1C[C@H](NCc2cc3c(cc2O)OCO3)CC[N@@H+]1C ZINC000090720543 895887693 /nfs/dbraw/zinc/88/76/93/895887693.db2.gz LLOXYNQZLBDAQZ-CMPLNLGQSA-N 1 3 278.352 1.693 20 10 CDCDHO C[C@H]1C[C@H](NCc2cc3c(cc2O)OCO3)CC[N@H+]1C ZINC000090720543 895887698 /nfs/dbraw/zinc/88/76/98/895887698.db2.gz LLOXYNQZLBDAQZ-CMPLNLGQSA-N 1 3 278.352 1.693 20 10 CDCDHO COc1cc(CN2C[C@H](O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256177 936611977 /nfs/dbraw/zinc/61/19/77/936611977.db2.gz VXAPDVRBSRUCQO-FZMZJTMJSA-N 1 3 294.395 1.275 20 10 CDCDHO Cc1c(O)ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1O ZINC001140748015 936749832 /nfs/dbraw/zinc/74/98/32/936749832.db2.gz RFTLOPZRZPDKEO-MRXNPFEDSA-N 1 3 276.380 1.934 20 10 CDCDHO Cc1c(O)ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1O ZINC001140748015 936749834 /nfs/dbraw/zinc/74/98/34/936749834.db2.gz RFTLOPZRZPDKEO-MRXNPFEDSA-N 1 3 276.380 1.934 20 10 CDCDHO C[C@@H](C[NH3+])CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000841048695 936973180 /nfs/dbraw/zinc/97/31/80/936973180.db2.gz KZKZRFFRAPPJOT-LBPRGKRZSA-N 1 3 281.375 1.347 20 10 CDCDHO [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC12CCOCC2 ZINC000843124893 937114995 /nfs/dbraw/zinc/11/49/95/937114995.db2.gz KJBBGJLNEWKGMJ-CQSZACIVSA-N 1 3 276.380 1.580 20 10 CDCDHO [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC12CCOCC2 ZINC000843124893 937114998 /nfs/dbraw/zinc/11/49/98/937114998.db2.gz KJBBGJLNEWKGMJ-CQSZACIVSA-N 1 3 276.380 1.580 20 10 CDCDHO CN(C)c1ccc(CN(C)CCOCC[NH3+])cc1F ZINC000863650916 929584119 /nfs/dbraw/zinc/58/41/19/929584119.db2.gz DWUGDSZHZBQPNQ-UHFFFAOYSA-N 1 3 269.364 1.299 20 10 CDCDHO CCN(C(=O)C[C@@H]([NH3+])c1ccccc1[O-])[C@H]1CCC[NH2+]C1 ZINC001161338356 938892286 /nfs/dbraw/zinc/89/22/86/938892286.db2.gz FDLMORWGBGUEAV-GXTWGEPZSA-N 1 3 291.395 1.383 20 10 CDCDHO CN1CCOc2cc(C[N@H+]3CC[C@@H](F)[C@@H](N)CC3)ccc21 ZINC001206175211 939990326 /nfs/dbraw/zinc/99/03/26/939990326.db2.gz SJMKLRXWCUKXKS-KGLIPLIRSA-N 1 3 293.386 1.776 20 10 CDCDHO CN1CCOc2cc(C[N@@H+]3CC[C@@H](F)[C@@H](N)CC3)ccc21 ZINC001206175211 939990329 /nfs/dbraw/zinc/99/03/29/939990329.db2.gz SJMKLRXWCUKXKS-KGLIPLIRSA-N 1 3 293.386 1.776 20 10 CDCDHO Cc1c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001206468286 940044695 /nfs/dbraw/zinc/04/46/95/940044695.db2.gz GQTJIRPYRVKDAA-BLLLJJGKSA-N 1 3 273.380 1.238 20 10 CDCDHO C[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001263259979 943812400 /nfs/dbraw/zinc/81/24/00/943812400.db2.gz MWWUHPIYKKZCHV-WFASDCNBSA-N 1 3 292.427 1.066 20 10 CDCDHO COc1cc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)c(O)c(OC)c1 ZINC001206201630 912557097 /nfs/dbraw/zinc/55/70/97/912557097.db2.gz YSDBMLQPDDIYJJ-CHWSQXEVSA-N 1 3 298.358 1.671 20 10 CDCDHO COc1cc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c(O)c(OC)c1 ZINC001206201630 912557104 /nfs/dbraw/zinc/55/71/04/912557104.db2.gz YSDBMLQPDDIYJJ-CHWSQXEVSA-N 1 3 298.358 1.671 20 10 CDCDHO COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000841085320 936975421 /nfs/dbraw/zinc/97/54/21/936975421.db2.gz ZHVSJUFVFZOOCH-GHMZBOCLSA-N 1 3 250.342 1.618 20 10 CDCDHO COc1ccc(O)c([C@H](C)NC2CC[NH2+]CC2)c1 ZINC000817934744 930635079 /nfs/dbraw/zinc/63/50/79/930635079.db2.gz CAXSSYCHWGQYLX-JTQLQIEISA-N 1 3 250.342 1.803 20 10 CDCDHO C[C@@H]([NH2+]C[C@H](C)N)c1ccc(N2CCOCC2)c(F)c1 ZINC000817972595 930655060 /nfs/dbraw/zinc/65/50/60/930655060.db2.gz YFJFCZNAZIUBEI-NWDGAFQWSA-N 1 3 281.375 1.660 20 10 CDCDHO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC001205230169 939839805 /nfs/dbraw/zinc/83/98/05/939839805.db2.gz QUPFEQNHTCYCQC-CQSZACIVSA-N 1 3 268.332 1.207 20 10 CDCDHO [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC001205230169 939839807 /nfs/dbraw/zinc/83/98/07/939839807.db2.gz QUPFEQNHTCYCQC-CQSZACIVSA-N 1 3 268.332 1.207 20 10 CDCDHO C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001205264306 939843161 /nfs/dbraw/zinc/84/31/61/939843161.db2.gz JPRWUTKQKXABNO-CQSZACIVSA-N 1 3 250.342 1.801 20 10 CDCDHO C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001205264306 939843163 /nfs/dbraw/zinc/84/31/63/939843163.db2.gz JPRWUTKQKXABNO-CQSZACIVSA-N 1 3 250.342 1.801 20 10 CDCDHO CC[NH+]1CCC(NCc2ccc(OC)c(OC)c2O)CC1 ZINC000892431914 618195354 /nfs/dbraw/zinc/19/53/54/618195354.db2.gz FXOKDSBAXWXCCP-UHFFFAOYSA-N 1 3 294.395 1.983 20 10 CDCDHO COc1cccc(CNC2(C)CC[NH2+]CC2)c1O ZINC000841066266 618680120 /nfs/dbraw/zinc/68/01/20/618680120.db2.gz YWHJJGLOHPMIAQ-UHFFFAOYSA-N 1 3 250.342 1.633 20 10 CDCDHO CC[NH2+][C@H](C)CNCc1ccc(N2CCN(C)CC2)cc1 ZINC000841066026 621660461 /nfs/dbraw/zinc/66/04/61/621660461.db2.gz QBIOHQIZADGJNO-OAHLLOKOSA-N 1 3 290.455 1.526 20 10 CDCDHO C[C@@H](NCc1cc2c(cc1O)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000841032738 784831445 /nfs/dbraw/zinc/83/14/45/784831445.db2.gz GDEYTIDEZNGSMW-GHMZBOCLSA-N 1 3 278.352 1.599 20 10 CDCDHO CCOc1cccc(C[NH2+]C[C@H](N)C(C)C)c1O ZINC000841028884 785601754 /nfs/dbraw/zinc/60/17/54/785601754.db2.gz JVINXUDZLKSKAH-LBPRGKRZSA-N 1 3 252.358 1.864 20 10 CDCDHO COc1cccc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c1O ZINC000163439512 908159728 /nfs/dbraw/zinc/15/97/28/908159728.db2.gz YVMHBBXRFPNAQF-YPMHNXCESA-N 1 3 264.369 1.818 20 10 CDCDHO COc1cc(CN2CC[C@@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139256387 936611944 /nfs/dbraw/zinc/61/19/44/936611944.db2.gz ZRNVABHFGGCYEE-MRXNPFEDSA-N 1 3 294.395 1.419 20 10 CDCDHO N[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@@H]1F ZINC001206197909 939996573 /nfs/dbraw/zinc/99/65/73/939996573.db2.gz KILYULKKVOOJCZ-UWVGGRQHSA-N 1 3 270.304 1.065 20 10 CDCDHO N[C@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@@H]1F ZINC001206197909 939996575 /nfs/dbraw/zinc/99/65/75/939996575.db2.gz KILYULKKVOOJCZ-UWVGGRQHSA-N 1 3 270.304 1.065 20 10 CDCDHO C[C@H]([NH2+]C[C@H]1C[C@]2(CC[NH2+]C2)CO1)c1ccccc1[O-] ZINC001579485822 1172195485 /nfs/dbraw/zinc/19/54/85/1172195485.db2.gz RPRQEQMYFBZSBV-ZENOOKHLSA-N 1 3 276.380 1.811 20 10 CDCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000817893691 791211292 /nfs/dbraw/zinc/21/12/92/791211292.db2.gz GQTJJYCWWIUYKT-KBRIMQKVSA-N 1 3 291.439 1.903 20 10 CDCDHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000841055633 792071292 /nfs/dbraw/zinc/07/12/92/792071292.db2.gz SYBNDDUGMIPMIX-JKSUJKDBSA-N 1 3 289.423 1.883 20 10 CDCDHO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CN(C)C(C)C)c1 ZINC000851900169 793830525 /nfs/dbraw/zinc/83/05/25/793830525.db2.gz QLRWOVWOBIGQRP-CHWSQXEVSA-N 1 3 296.411 1.753 20 10 CDCDHO C[NH+](C)CC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204274540 916456169 /nfs/dbraw/zinc/45/61/69/916456169.db2.gz DMCMOZRILYIGET-UHFFFAOYSA-N 1 3 264.369 1.871 20 10 CDCDHO CC(C)([NH3+])CCNCc1cc2c(cc1O)OCO2 ZINC000903938879 626150818 /nfs/dbraw/zinc/15/08/18/626150818.db2.gz OHQZPRUZPCDMCE-UHFFFAOYSA-N 1 3 252.314 1.338 20 10 CDCDHO CCOc1ccc(C[N@H+](C)CCOCC[NH3+])c([O-])c1 ZINC000863649731 797560017 /nfs/dbraw/zinc/56/00/17/797560017.db2.gz HDUVTAVNGNMSEK-UHFFFAOYSA-N 1 3 268.357 1.198 20 10 CDCDHO CCOc1ccc(C[N@@H+](C)CCOCC[NH3+])c([O-])c1 ZINC000863649731 797560029 /nfs/dbraw/zinc/56/00/29/797560029.db2.gz HDUVTAVNGNMSEK-UHFFFAOYSA-N 1 3 268.357 1.198 20 10 CDCDHO C[C@@H](NCc1cc2c(cc1O)OCO2)[C@H]1CCC[NH2+]C1 ZINC000841032740 906870726 /nfs/dbraw/zinc/87/07/26/906870726.db2.gz GDEYTIDEZNGSMW-MNOVXSKESA-N 1 3 278.352 1.599 20 10 CDCDHO COc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)c([O-])c1 ZINC001203628527 939698068 /nfs/dbraw/zinc/69/80/68/939698068.db2.gz BWEPUPDAVGRSBY-UHFFFAOYSA-N 1 3 276.380 1.928 20 10 CDCDHO Cc1cc(C)c(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c([O-])c1 ZINC001246344211 948121255 /nfs/dbraw/zinc/12/12/55/948121255.db2.gz OHMSKLZRZMFJLY-ZDUSSCGKSA-N 1 3 275.396 1.193 20 10 CDCDHO COc1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1C ZINC000077450619 538478239 /nfs/dbraw/zinc/47/82/39/538478239.db2.gz DROSPGIDIXXAEE-UHFFFAOYSA-N 1 3 278.396 1.550 20 10 CDCDHO COCC1(C[NH2+]Cc2c([O-])cccc2OC)CC[NH2+]CC1 ZINC000841068812 618680786 /nfs/dbraw/zinc/68/07/86/618680786.db2.gz XAEPGIBXSPIFKY-UHFFFAOYSA-N 1 3 294.395 1.507 20 10 CDCDHO COc1cc(O)c(C[NH2+]CC(C)(C)N)cc1OC ZINC000841029862 621021323 /nfs/dbraw/zinc/02/13/23/621021323.db2.gz BSGGXWRBAZKNDK-UHFFFAOYSA-N 1 3 254.330 1.236 20 10 CDCDHO CC(C)([NH3+])CCNCc1ccc(N2CCOCC2)c(F)c1 ZINC000903938537 626156343 /nfs/dbraw/zinc/15/63/43/626156343.db2.gz FPGIVCGGJDKREV-UHFFFAOYSA-N 1 3 295.402 1.879 20 10 CDCDHO CCOc1cccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000126851249 805252100 /nfs/dbraw/zinc/25/21/00/805252100.db2.gz RTAFIZSKVRCCAS-NEPJUHHUSA-N 1 3 264.369 1.960 20 10 CDCDHO CC[NH+]1CCC(NC[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001169220483 927815695 /nfs/dbraw/zinc/81/56/95/927815695.db2.gz RZWHGRQDKIKZRG-OAHLLOKOSA-N 1 3 280.368 1.205 20 10 CDCDHO C[C@@H]1CC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CN1 ZINC001246210163 948029800 /nfs/dbraw/zinc/02/98/00/948029800.db2.gz CGDGRAIUQBQSHP-KOLCDFICSA-N 1 3 266.341 1.076 20 10 CDCDHO C[C@@H]([NH3+])CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001345636164 964765802 /nfs/dbraw/zinc/76/58/02/964765802.db2.gz CEKXUZMZYSOZGQ-IUODEOHRSA-N 1 3 292.427 1.209 20 10 CDCDHO COc1cccc(C[N@@H+]2CC[C@H](CN(C)C)C2)c1O ZINC000125527250 525951392 /nfs/dbraw/zinc/95/13/92/525951392.db2.gz CMMPQWKHVLJIBA-GFCCVEGCSA-N 1 3 264.369 1.784 20 10 CDCDHO COc1cccc(C[N@H+]2CC[C@H](CN(C)C)C2)c1O ZINC000125527250 525951394 /nfs/dbraw/zinc/95/13/94/525951394.db2.gz CMMPQWKHVLJIBA-GFCCVEGCSA-N 1 3 264.369 1.784 20 10 CDCDHO COc1ccc(O)c([C@@H](C)NC2CC[NH2+]CC2)c1 ZINC000817934746 819091279 /nfs/dbraw/zinc/09/12/79/819091279.db2.gz CAXSSYCHWGQYLX-SNVBAGLBSA-N 1 3 250.342 1.803 20 10 CDCDHO COc1ccc(O)c(CN[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000841086994 819361034 /nfs/dbraw/zinc/36/10/34/819361034.db2.gz HMVNFKNFSATLAT-ZDUSSCGKSA-N 1 3 252.358 1.864 20 10 CDCDHO CC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1[O-] ZINC000817937617 821825498 /nfs/dbraw/zinc/82/54/98/821825498.db2.gz YKVRHLGOYHCMNK-OAHLLOKOSA-N 1 3 277.412 1.728 20 10 CDCDHO C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC[NH2+]1 ZINC000775638422 822569405 /nfs/dbraw/zinc/56/94/05/822569405.db2.gz CWVIIUBKGCRKIM-HNNXBMFYSA-N 1 3 288.439 1.232 20 10 CDCDHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N(C)C)cc1 ZINC000268872102 364106979 /nfs/dbraw/zinc/10/69/79/364106979.db2.gz VKPDAWULDYRDIF-RHSMWYFYSA-N 1 3 291.439 1.860 20 10 CDCDHO COc1cccc(C[N@@H+]2CC[C@@H](CN(C)C)C2)c1O ZINC000125526998 525952346 /nfs/dbraw/zinc/95/23/46/525952346.db2.gz CMMPQWKHVLJIBA-LBPRGKRZSA-N 1 3 264.369 1.784 20 10 CDCDHO COc1cccc(C[N@H+]2CC[C@@H](CN(C)C)C2)c1O ZINC000125526998 525952350 /nfs/dbraw/zinc/95/23/50/525952350.db2.gz CMMPQWKHVLJIBA-LBPRGKRZSA-N 1 3 264.369 1.784 20 10 CDCDHO CC[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790183 576672706 /nfs/dbraw/zinc/67/27/06/576672706.db2.gz XZZJBQCTCSUADW-DLBZAZTESA-N 1 3 291.439 1.860 20 10 CDCDHO CC[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790183 576672708 /nfs/dbraw/zinc/67/27/08/576672708.db2.gz XZZJBQCTCSUADW-DLBZAZTESA-N 1 3 291.439 1.860 20 10 CDCDHO CC[C@H](N)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841070340 618681402 /nfs/dbraw/zinc/68/14/02/618681402.db2.gz PPHOVEUQFQLSHW-AWEZNQCLSA-N 1 3 263.385 1.350 20 10 CDCDHO CC[C@@H]1CN(Cc2cccc(OC)c2O)CC[C@H]1[NH3+] ZINC000251657117 825047716 /nfs/dbraw/zinc/04/77/16/825047716.db2.gz GVYCIIRBVMDGLD-DGCLKSJQSA-N 1 3 264.369 1.960 20 10 CDCDHO CCOc1ccc(O)c(C[NH2+]CC2(N)CCC2)c1 ZINC000841052455 825931951 /nfs/dbraw/zinc/93/19/51/825931951.db2.gz XMFWVUPLLRSCJP-UHFFFAOYSA-N 1 3 250.342 1.762 20 10 CDCDHO CCOc1cccc(CNC[C@H]2CCC[NH2+]C2)c1O ZINC000841032554 826260358 /nfs/dbraw/zinc/26/03/58/826260358.db2.gz GTVHHDHGSUDOFH-LBPRGKRZSA-N 1 3 264.369 1.880 20 10 CDCDHO COc1cc(CN2CC[C@@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139257311 936611755 /nfs/dbraw/zinc/61/17/55/936611755.db2.gz XOCCOPMDYGJSHM-GFCCVEGCSA-N 1 3 294.395 1.277 20 10 CDCDHO COc1cccc([O-])c1C[NH2+]C1CCC([NH3+])CC1 ZINC000843107619 829017629 /nfs/dbraw/zinc/01/76/29/829017629.db2.gz UJUMQAJBARJCSR-UHFFFAOYSA-N 1 3 250.342 1.760 20 10 CDCDHO Cc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)c([O-])c1 ZINC000877159084 832864810 /nfs/dbraw/zinc/86/48/10/832864810.db2.gz SDTUZWYKIWMWHR-UHFFFAOYSA-N 1 3 291.439 1.816 20 10 CDCDHO Cc1cccc(C[NH2+]C[C@H]2CNCCCO2)c1O ZINC000841086100 834323852 /nfs/dbraw/zinc/32/38/52/834323852.db2.gz MJTLUNHPKMITTL-CYBMUJFWSA-N 1 3 250.342 1.169 20 10 CDCDHO [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000843122009 834488804 /nfs/dbraw/zinc/48/88/04/834488804.db2.gz MXDDTACINXHECC-AWEZNQCLSA-N 1 3 291.395 1.212 20 10 CDCDHO [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000843122009 834488813 /nfs/dbraw/zinc/48/88/13/834488813.db2.gz MXDDTACINXHECC-AWEZNQCLSA-N 1 3 291.395 1.212 20 10 CDCDHO Cc1cccc([O-])c1C[N@@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205247398 919398161 /nfs/dbraw/zinc/39/81/61/919398161.db2.gz GSAALAOGUWLCGJ-HNNXBMFYSA-N 1 3 264.369 1.376 20 10 CDCDHO Cc1cccc([O-])c1C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205247398 919398176 /nfs/dbraw/zinc/39/81/76/919398176.db2.gz GSAALAOGUWLCGJ-HNNXBMFYSA-N 1 3 264.369 1.376 20 10 CDCDHO C[N@@H+]1CC[C@@H]2CN(Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141158114 936822466 /nfs/dbraw/zinc/82/24/66/936822466.db2.gz UMXVYRARJBKWMB-YPMHNXCESA-N 1 3 262.353 1.481 20 10 CDCDHO C[N@H+]1CC[C@@H]2CN(Cc3cc(O)ccc3O)C[C@@H]2C1 ZINC001141158114 936822468 /nfs/dbraw/zinc/82/24/68/936822468.db2.gz UMXVYRARJBKWMB-YPMHNXCESA-N 1 3 262.353 1.481 20 10 CDCDHO CCOc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205247797 939842049 /nfs/dbraw/zinc/84/20/49/939842049.db2.gz JLRWABRYPFJWTH-INIZCTEOSA-N 1 3 294.395 1.467 20 10 CDCDHO CCOc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205247797 939842052 /nfs/dbraw/zinc/84/20/52/939842052.db2.gz JLRWABRYPFJWTH-INIZCTEOSA-N 1 3 294.395 1.467 20 10 CDCDHO CCN1CCN(c2ccc(O[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001218286367 941052179 /nfs/dbraw/zinc/05/21/79/941052179.db2.gz GXDMSXNFWXQFFE-KRWDZBQOSA-N 1 3 289.423 1.959 20 10 CDCDHO COc1cc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c(O)cc1O ZINC001231638964 942955060 /nfs/dbraw/zinc/95/50/60/942955060.db2.gz JCYDATAYGDYBAM-INIZCTEOSA-N 1 3 292.379 1.634 20 10 CDCDHO COc1cc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(O)cc1O ZINC001231638964 942955063 /nfs/dbraw/zinc/95/50/63/942955063.db2.gz JCYDATAYGDYBAM-INIZCTEOSA-N 1 3 292.379 1.634 20 10 CDCDHO COc1cc(Cl)cc(C[NH2+]C[C@H](C)C[NH3+])c1[O-] ZINC000841049196 621595012 /nfs/dbraw/zinc/59/50/12/621595012.db2.gz NTRMIKMGYSYYMB-MRVPVSSYSA-N 1 3 258.749 1.739 20 10 CDCDHO COc1cccc([O-])c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841079323 836034051 /nfs/dbraw/zinc/03/40/51/836034051.db2.gz MAXDHQIGWZLTNX-CQSZACIVSA-N 1 3 262.353 1.633 20 10 CDCDHO COc1cc(O)c(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000776222586 842862557 /nfs/dbraw/zinc/86/25/57/842862557.db2.gz GCCHQJDSNPIZTF-WCQYABFASA-N 1 3 294.395 1.982 20 10 CDCDHO COc1cc(O)c(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000776222586 842862560 /nfs/dbraw/zinc/86/25/60/842862560.db2.gz GCCHQJDSNPIZTF-WCQYABFASA-N 1 3 294.395 1.982 20 10 CDCDHO C[NH2+]C[C@@H](C)CNCc1cc(OC)c(OC)cc1O ZINC001117953870 937572830 /nfs/dbraw/zinc/57/28/30/937572830.db2.gz SDNIBGWIIAISFH-SNVBAGLBSA-N 1 3 268.357 1.355 20 10 CDCDHO C[NH2+]C[C@H](C)CN[C@@H](C)c1cc(OC)ccc1O ZINC001118060195 937586491 /nfs/dbraw/zinc/58/64/91/937586491.db2.gz XOIFDCFVZKGAPS-QWRGUYRKSA-N 1 3 252.358 1.907 20 10 CDCDHO COc1cc(CN2CCC[C@H]2CO)cc(C[NH+](C)C)c1O ZINC001139256210 936305690 /nfs/dbraw/zinc/30/56/90/936305690.db2.gz WYVZEFNHDSCQMJ-AWEZNQCLSA-N 1 3 294.395 1.419 20 10 CDCDHO COc1cccc(C[NH+]2CCC3(CN(C)C3)CC2)c1O ZINC001203600181 939695473 /nfs/dbraw/zinc/69/54/73/939695473.db2.gz VWECKPGVSPNSIH-UHFFFAOYSA-N 1 3 276.380 1.928 20 10 CDCDHO COCC1(C[NH2+]Cc2ccccc2[O-])CC[NH2+]CC1 ZINC000841068389 618680690 /nfs/dbraw/zinc/68/06/90/618680690.db2.gz NMZJSVYALLBHJT-UHFFFAOYSA-N 1 3 264.369 1.498 20 10 CDCDHO CCc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205247547 919401014 /nfs/dbraw/zinc/40/10/14/919401014.db2.gz IOTPGTVFFQMGTE-MRXNPFEDSA-N 1 3 278.396 1.630 20 10 CDCDHO CCc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205247547 919401021 /nfs/dbraw/zinc/40/10/21/919401021.db2.gz IOTPGTVFFQMGTE-MRXNPFEDSA-N 1 3 278.396 1.630 20 10 CDCDHO CN(C)c1ccc(C[N@@H+]2CCCC[C@](O)(CN)C2)c(O)c1 ZINC001205687962 924474191 /nfs/dbraw/zinc/47/41/91/924474191.db2.gz CCAHGTJQBMZERK-INIZCTEOSA-N 1 3 293.411 1.134 20 10 CDCDHO CN(C)c1ccc(C[N@H+]2CCCC[C@](O)(CN)C2)c(O)c1 ZINC001205687962 924474197 /nfs/dbraw/zinc/47/41/97/924474197.db2.gz CCAHGTJQBMZERK-INIZCTEOSA-N 1 3 293.411 1.134 20 10 CDCDHO COc1cc(O)c(CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000843057191 618691024 /nfs/dbraw/zinc/69/10/24/618691024.db2.gz GMMRDZCNQKGAGY-WDEREUQCSA-N 1 3 280.368 1.579 20 10 CDCDHO CN1CCN(c2ccc(CNC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000841034353 621042530 /nfs/dbraw/zinc/04/25/30/621042530.db2.gz AADRQULGVQSLGX-MRXNPFEDSA-N 1 3 288.439 1.280 20 10 CDCDHO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2N)cc1F ZINC000817898810 698082813 /nfs/dbraw/zinc/08/28/13/698082813.db2.gz BGOIVNVAAANTTP-STQMWFEESA-N 1 3 251.349 1.861 20 10 CDCDHO COc1cc(O)c(CN[C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000841033658 698455946 /nfs/dbraw/zinc/45/59/46/698455946.db2.gz RAPGPHALVQWEQE-RYUDHWBXSA-N 1 3 294.395 1.887 20 10 CDCDHO COc1cc(CN2CCCC[C@@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001206640932 937282560 /nfs/dbraw/zinc/28/25/60/937282560.db2.gz PNORWYVEHZZGMF-LBPRGKRZSA-N 1 3 294.395 1.970 20 10 CDCDHO COc1cc(O)c(CN2CCCC[C@H](C[NH3+])C2)cc1OC ZINC001206641448 937287827 /nfs/dbraw/zinc/28/78/27/937287827.db2.gz XNHWYJSXRZGXFT-GFCCVEGCSA-N 1 3 294.395 1.970 20 10 CDCDHO C[NH2+]C[C@H](C)CNCc1cc(OC)c(OC)cc1O ZINC001117953869 937572960 /nfs/dbraw/zinc/57/29/60/937572960.db2.gz SDNIBGWIIAISFH-JTQLQIEISA-N 1 3 268.357 1.355 20 10 CDCDHO CC(C)c1ccc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206480728 940047268 /nfs/dbraw/zinc/04/72/68/940047268.db2.gz IVKGARXOZHSQRI-DZGCQCFKSA-N 1 3 264.369 1.267 20 10 CDCDHO CC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001514581088 976310793 /nfs/dbraw/zinc/31/07/93/976310793.db2.gz HUWVXSSXLDYGFH-LSDHHAIUSA-N 1 3 292.427 1.209 20 10 CDCDHO C[NH+](C)CCN1CCN(Cc2ccccc2O)CC1 ZINC000133868768 1175809589 /nfs/dbraw/zinc/80/95/89/1175809589.db2.gz HQQIGWDOWHKAQV-UHFFFAOYSA-N 1 3 263.385 1.071 20 10 CDCDHO COc1cccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000070171772 705593246 /nfs/dbraw/zinc/59/32/46/705593246.db2.gz VMFKQIMCTABALT-VXGBXAGGSA-N 1 3 264.369 1.960 20 10 CDCDHO C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1[O-] ZINC000817934804 705852235 /nfs/dbraw/zinc/85/22/35/705852235.db2.gz CVPDJDATSJXILC-CYBMUJFWSA-N 1 3 263.385 1.338 20 10 CDCDHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854229932 710397970 /nfs/dbraw/zinc/39/79/70/710397970.db2.gz APYFEZMBFZHFTF-SJORKVTESA-N 1 3 289.423 1.617 20 10 CDCDHO CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(C)cc1[O-] ZINC000817945014 711543101 /nfs/dbraw/zinc/54/31/01/711543101.db2.gz RIBORXGFLZUYNJ-HNNXBMFYSA-N 1 3 277.412 1.647 20 10 CDCDHO CCOc1cccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000126851518 1166130186 /nfs/dbraw/zinc/13/01/86/1166130186.db2.gz RTAFIZSKVRCCAS-VXGBXAGGSA-N 1 3 264.369 1.960 20 10 CDCDHO C[C@@H]1CC[N@H+](Cc2c([O-])cc(O)cc2O)CC[C@@H]1C[NH3+] ZINC001205626324 939909993 /nfs/dbraw/zinc/90/99/93/939909993.db2.gz FTFORHVQNOWFPB-GHMZBOCLSA-N 1 3 280.368 1.610 20 10 CDCDHO C[C@@H]1CC[N@@H+](Cc2c([O-])cc(O)cc2O)CC[C@@H]1C[NH3+] ZINC001205626324 939909994 /nfs/dbraw/zinc/90/99/94/939909994.db2.gz FTFORHVQNOWFPB-GHMZBOCLSA-N 1 3 280.368 1.610 20 10 CDCDHO N[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@H]1F ZINC001206197911 939996518 /nfs/dbraw/zinc/99/65/18/939996518.db2.gz KILYULKKVOOJCZ-ZJUUUORDSA-N 1 3 270.304 1.065 20 10 CDCDHO N[C@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@H]1F ZINC001206197911 939996520 /nfs/dbraw/zinc/99/65/20/939996520.db2.gz KILYULKKVOOJCZ-ZJUUUORDSA-N 1 3 270.304 1.065 20 10 CDCDHO CN1CCOc2cc(CN3CCC(F)(C[NH3+])CC3)ccc21 ZINC001222542575 941611107 /nfs/dbraw/zinc/61/11/07/941611107.db2.gz IDBGVRCTPYFIMP-UHFFFAOYSA-N 1 3 293.386 1.778 20 10 CDCDHO CCN(CC)C[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC001253208400 951805074 /nfs/dbraw/zinc/80/50/74/951805074.db2.gz PIBAGWGMDOJUQF-CHWSQXEVSA-N 1 3 266.385 1.746 20 10 CDCDHO COc1ccc(N2CCC([NH2+][C@H]3C[C@H](N)C3)CC2)cc1 ZINC001579225765 1172119819 /nfs/dbraw/zinc/11/98/19/1172119819.db2.gz VONKIIRYWKIMLL-MQMHXKEQSA-N 1 3 275.396 1.743 20 10 CDCDHO COc1ccc(N2CCC(N[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC001579225765 1172119827 /nfs/dbraw/zinc/11/98/27/1172119827.db2.gz VONKIIRYWKIMLL-MQMHXKEQSA-N 1 3 275.396 1.743 20 10 CDCDHO COc1ccc(O)c(CN[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000841072412 618681696 /nfs/dbraw/zinc/68/16/96/618681696.db2.gz JPSIKWFGKXXBBU-CQSZACIVSA-N 1 3 264.369 1.879 20 10 CDCDHO COc1ccc(C[NH+]2CCC(C[NH3+])CC2)c([O-])c1 ZINC000044512326 1166204501 /nfs/dbraw/zinc/20/45/01/1166204501.db2.gz JNPJAMBIRKAGER-UHFFFAOYSA-N 1 3 250.342 1.572 20 10 CDCDHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854229931 712445781 /nfs/dbraw/zinc/44/57/81/712445781.db2.gz APYFEZMBFZHFTF-IRXDYDNUSA-N 1 3 289.423 1.617 20 10 CDCDHO C[C@@H]1C[C@H](C)N(Cc2cc3c(cc2O)OCO3)C[C@H]1C[NH3+] ZINC000817864847 712473172 /nfs/dbraw/zinc/47/31/72/712473172.db2.gz DVDKCQBQSNGVOB-NTZNESFSSA-N 1 3 292.379 1.926 20 10 CDCDHO CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@]3(N)C2)c(O)c1 ZINC001235992045 914502722 /nfs/dbraw/zinc/50/27/22/914502722.db2.gz PZBUQJRBDMVYHO-IUODEOHRSA-N 1 3 261.369 1.381 20 10 CDCDHO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@]3(N)C2)c(O)c1 ZINC001235992045 914502734 /nfs/dbraw/zinc/50/27/34/914502734.db2.gz PZBUQJRBDMVYHO-IUODEOHRSA-N 1 3 261.369 1.381 20 10 CDCDHO Cc1ccc([C@H](C)[NH2+]CCOCC[NH+](C)C)c([O-])c1 ZINC000219313266 930873526 /nfs/dbraw/zinc/87/35/26/930873526.db2.gz UMPUGQJDWOURQT-ZDUSSCGKSA-N 1 3 266.385 1.929 20 10 CDCDHO Cc1cc(N(C)C)ccc1C[NH2+]CC1(O)CCN(C)CC1 ZINC000840933953 618143751 /nfs/dbraw/zinc/14/37/51/618143751.db2.gz LWUKTBYJIXWBKR-UHFFFAOYSA-N 1 3 291.439 1.607 20 10 CDCDHO CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c([O-])c1 ZINC000843057530 618691458 /nfs/dbraw/zinc/69/14/58/618691458.db2.gz JLPTXSNSWAKTMP-NEPJUHHUSA-N 1 3 264.369 1.960 20 10 CDCDHO CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c([O-])c1 ZINC000843057530 618691459 /nfs/dbraw/zinc/69/14/59/618691459.db2.gz JLPTXSNSWAKTMP-NEPJUHHUSA-N 1 3 264.369 1.960 20 10 CDCDHO C[C@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1C[NH2+]C1 ZINC000902517036 624915630 /nfs/dbraw/zinc/91/56/30/624915630.db2.gz JELWTGSLWGVKGK-GUYCJALGSA-N 1 3 290.455 1.553 20 10 CDCDHO c1cc(N2CCOCC2)ccc1CN[C@@H]1CCC[NH2+]CC1 ZINC000841057379 936973411 /nfs/dbraw/zinc/97/34/11/936973411.db2.gz JUNYHAVEHHEIAE-MRXNPFEDSA-N 1 3 289.423 1.755 20 10 CDCDHO CC[C@H](N)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000841073042 936974387 /nfs/dbraw/zinc/97/43/87/936974387.db2.gz UUKIEJTYEFDFQK-JTQLQIEISA-N 1 3 254.330 1.236 20 10 CDCDHO COc1ccc(N2CCC(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000841080102 936974758 /nfs/dbraw/zinc/97/47/58/936974758.db2.gz NSWLXMIZSWIUPH-FVQHAEBGSA-N 1 3 287.407 1.471 20 10 CDCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)c1[O-] ZINC000817944865 930641428 /nfs/dbraw/zinc/64/14/28/930641428.db2.gz NXVXWTGUUAMVQV-LBPRGKRZSA-N 1 3 297.830 1.910 20 10 CDCDHO CCCN(C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273576 934835126 /nfs/dbraw/zinc/83/51/26/934835126.db2.gz OUEYHNGUKOZHOB-HNNXBMFYSA-N 1 3 292.427 1.210 20 10 CDCDHO CN(C)c1ccc(CN2C[C@H](O)[C@@H](C[NH3+])C2)c2ccccc21 ZINC001206512589 940052286 /nfs/dbraw/zinc/05/22/86/940052286.db2.gz QCCCBKMPVFTBFA-KSSFIOAISA-N 1 3 299.418 1.657 20 10 CDCDHO [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC000381379028 943902533 /nfs/dbraw/zinc/90/25/33/943902533.db2.gz RNHNCZNJSNRRPF-NSHDSACASA-N 1 3 250.342 1.659 20 10 CDCDHO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC000381379028 943902537 /nfs/dbraw/zinc/90/25/37/943902537.db2.gz RNHNCZNJSNRRPF-NSHDSACASA-N 1 3 250.342 1.659 20 10 CDCDHO CCOc1ccc(O)c(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000843057540 618691483 /nfs/dbraw/zinc/69/14/83/618691483.db2.gz JNURRONSTUCQRI-NWDGAFQWSA-N 1 3 264.369 1.960 20 10 CDCDHO CCc1cccc(C[NH2+]CC2(O)CCN(C)CC2)c1O ZINC000691484918 914466777 /nfs/dbraw/zinc/46/67/77/914466777.db2.gz VTORTSLUNCBBQP-UHFFFAOYSA-N 1 3 278.396 1.501 20 10 CDCDHO CCN1CCN(CCC[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877145848 678784955 /nfs/dbraw/zinc/78/49/55/678784955.db2.gz PSIVOYDVHKGHNN-UHFFFAOYSA-N 1 3 291.439 1.818 20 10 CDCDHO COc1ccc(O)c(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163486359 678845547 /nfs/dbraw/zinc/84/55/47/678845547.db2.gz HBBXTSLMFPTHAG-YPMHNXCESA-N 1 3 264.369 1.818 20 10 CDCDHO CC(C)N(C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280528 678990017 /nfs/dbraw/zinc/99/00/17/678990017.db2.gz PASSGDXKZWULCZ-HNNXBMFYSA-N 1 3 292.427 1.209 20 10 CDCDHO COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841054792 679101762 /nfs/dbraw/zinc/10/17/62/679101762.db2.gz HTZYACIBFMNSMP-GHMZBOCLSA-N 1 3 250.342 1.760 20 10 CDCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000817893693 679134326 /nfs/dbraw/zinc/13/43/26/679134326.db2.gz GQTJJYCWWIUYKT-RRQGHBQHSA-N 1 3 291.439 1.903 20 10 CDCDHO C[NH+]1CCC(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226607494 679176309 /nfs/dbraw/zinc/17/63/09/679176309.db2.gz VCVAXQZCJQMVJY-UHFFFAOYSA-N 1 3 252.333 1.963 20 10 CDCDHO COc1cc(CN2C[C@@H](O)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139254604 936612007 /nfs/dbraw/zinc/61/20/07/936612007.db2.gz JGLALCHJCRSALF-RISCZKNCSA-N 1 3 294.395 1.418 20 10 CDCDHO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CN(C)C(C)C)c1 ZINC000851900172 679852659 /nfs/dbraw/zinc/85/26/59/679852659.db2.gz QLRWOVWOBIGQRP-STQMWFEESA-N 1 3 296.411 1.753 20 10 CDCDHO COc1cccc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000070171771 681657198 /nfs/dbraw/zinc/65/71/98/681657198.db2.gz VMFKQIMCTABALT-NWDGAFQWSA-N 1 3 264.369 1.960 20 10 CDCDHO CCOc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)c([O-])c1 ZINC000843052954 683408072 /nfs/dbraw/zinc/40/80/72/683408072.db2.gz QGEHUWDWAMKEAP-UHFFFAOYSA-N 1 3 293.411 1.128 20 10 CDCDHO CCOc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c([O-])c1 ZINC000843052954 683408083 /nfs/dbraw/zinc/40/80/83/683408083.db2.gz QGEHUWDWAMKEAP-UHFFFAOYSA-N 1 3 293.411 1.128 20 10 CDCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000817893695 683759359 /nfs/dbraw/zinc/75/93/59/683759359.db2.gz GQTJJYCWWIUYKT-XOKHGSTOSA-N 1 3 291.439 1.903 20 10 CDCDHO COc1cc(C)c(C[NH+]2CCC(C[NH3+])CC2)c([O-])c1 ZINC001205054125 922150367 /nfs/dbraw/zinc/15/03/67/922150367.db2.gz XPLRXOCVUOFYJT-UHFFFAOYSA-N 1 3 264.369 1.880 20 10 CDCDHO CCOc1ccc(O)c(CN[C@@H](C[NH3+])C2CC2)c1 ZINC000841028351 684629909 /nfs/dbraw/zinc/62/99/09/684629909.db2.gz PAIOYNCOAAZGTH-ZDUSSCGKSA-N 1 3 250.342 1.618 20 10 CDCDHO COc1ccc(O)c(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000163486471 684866564 /nfs/dbraw/zinc/86/65/64/684866564.db2.gz HBBXTSLMFPTHAG-AAEUAGOBSA-N 1 3 264.369 1.818 20 10 CDCDHO CN(Cc1ccc(N2CCOCC2)cc1)CC(C)(C)C[NH3+] ZINC000843056707 684892379 /nfs/dbraw/zinc/89/23/79/684892379.db2.gz XFXJHBLWDYMWMQ-UHFFFAOYSA-N 1 3 291.439 1.940 20 10 CDCDHO COC[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000817943287 686742352 /nfs/dbraw/zinc/74/23/52/686742352.db2.gz UAAQAAAWMZCITK-HOTGVXAUSA-N 1 3 277.412 1.767 20 10 CDCDHO C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Cl)ccc1[O-] ZINC000809741547 687372300 /nfs/dbraw/zinc/37/23/00/687372300.db2.gz PLJWKSXXGYDIFX-UHFFFAOYSA-N 1 3 299.846 1.971 20 10 CDCDHO [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841081328 687867517 /nfs/dbraw/zinc/86/75/17/687867517.db2.gz ZXMCADDKGQLESR-CYBMUJFWSA-N 1 3 250.317 1.763 20 10 CDCDHO CCN1CCN(c2ccc(CN3CC(C)([NH3+])C3)cc2)CC1 ZINC001204979493 939810680 /nfs/dbraw/zinc/81/06/80/939810680.db2.gz CHWMFEDDSSYFEF-UHFFFAOYSA-N 1 3 288.439 1.362 20 10 CDCDHO C[C@H]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2[O-])C[NH2+]1 ZINC001219587154 941359972 /nfs/dbraw/zinc/35/99/72/941359972.db2.gz SNODBOFXJJSUNQ-GMXVVIOVSA-N 1 3 277.368 1.039 20 10 CDCDHO CCOc1ccc(O)c(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000843057539 618691373 /nfs/dbraw/zinc/69/13/73/618691373.db2.gz JNURRONSTUCQRI-NEPJUHHUSA-N 1 3 264.369 1.960 20 10 CDCDHO C[C@H](CC[NH3+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841052908 621600282 /nfs/dbraw/zinc/60/02/82/621600282.db2.gz XNORATSOGDBHGT-GFCCVEGCSA-N 1 3 281.375 1.489 20 10 CDCDHO Cc1ccc(C[NH2+]C[C@H](O)CN2CCCC2)c(O)c1 ZINC000876966141 692174444 /nfs/dbraw/zinc/17/44/44/692174444.db2.gz NUZFDKDBJJHJSR-AWEZNQCLSA-N 1 3 264.369 1.247 20 10 CDCDHO CCOc1cccc(C[NH2+]C[C@H](N)C2CC2)c1O ZINC000841050667 692863302 /nfs/dbraw/zinc/86/33/02/692863302.db2.gz RVCBKKNBYKIKIY-LBPRGKRZSA-N 1 3 250.342 1.618 20 10 CDCDHO CCOc1ccc(O)c(C[NH2+]C[C@@H](N)C2CC2)c1 ZINC000841051560 693473304 /nfs/dbraw/zinc/47/33/04/693473304.db2.gz XMVJNYCXNAMLOT-CYBMUJFWSA-N 1 3 250.342 1.618 20 10 CDCDHO COc1cccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)c1O ZINC000841033450 693480380 /nfs/dbraw/zinc/48/03/80/693480380.db2.gz NXQSJRFEKCIZPJ-RYUDHWBXSA-N 1 3 264.369 1.879 20 10 CDCDHO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3(N)C2)c(O)c1 ZINC001235992048 914503408 /nfs/dbraw/zinc/50/34/08/914503408.db2.gz PZBUQJRBDMVYHO-SWLSCSKDSA-N 1 3 261.369 1.381 20 10 CDCDHO CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@]3(N)C2)c(O)c1 ZINC001235992048 914503412 /nfs/dbraw/zinc/50/34/12/914503412.db2.gz PZBUQJRBDMVYHO-SWLSCSKDSA-N 1 3 261.369 1.381 20 10 CDCDHO CCOc1ccc(O)c(CN[C@H](C[NH3+])C2CC2)c1 ZINC000841028349 906858828 /nfs/dbraw/zinc/85/88/28/906858828.db2.gz PAIOYNCOAAZGTH-CYBMUJFWSA-N 1 3 250.342 1.618 20 10 CDCDHO CCOc1ccc(O)c(CN2CC[C@H](C[NH3+])C2)c1 ZINC000843048550 937106476 /nfs/dbraw/zinc/10/64/76/937106476.db2.gz GYHXHJUVQYVOFY-LLVKDONJSA-N 1 3 250.342 1.572 20 10 CDCDHO C[C@@H](N)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817972597 930655958 /nfs/dbraw/zinc/65/59/58/930655958.db2.gz YFJFCZNAZIUBEI-VXGBXAGGSA-N 1 3 281.375 1.660 20 10 CDCDHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)nn1 ZINC001120371229 937796203 /nfs/dbraw/zinc/79/62/03/937796203.db2.gz CJVPZPKMHKLPHR-HNNXBMFYSA-N 1 3 286.383 1.156 20 10 CDCDHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(N)cc3)C2)nn1 ZINC001120371229 937796204 /nfs/dbraw/zinc/79/62/04/937796204.db2.gz CJVPZPKMHKLPHR-HNNXBMFYSA-N 1 3 286.383 1.156 20 10 CDCDHO CCc1ccc(C[N@@H+]2CCCC[C@](O)(CN)C2)c(O)c1 ZINC001205726224 939927712 /nfs/dbraw/zinc/92/77/12/939927712.db2.gz RHRXRTQIVGEZHN-INIZCTEOSA-N 1 3 278.396 1.630 20 10 CDCDHO CCc1ccc(C[N@H+]2CCCC[C@](O)(CN)C2)c(O)c1 ZINC001205726224 939927715 /nfs/dbraw/zinc/92/77/15/939927715.db2.gz RHRXRTQIVGEZHN-INIZCTEOSA-N 1 3 278.396 1.630 20 10 CDCDHO C[C@H]1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CN1 ZINC001246210160 948029478 /nfs/dbraw/zinc/02/94/78/948029478.db2.gz CGDGRAIUQBQSHP-GXSJLCMTSA-N 1 3 266.341 1.076 20 10 CDCDHO COc1cc(O)c(CN2C[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000873216705 969925484 /nfs/dbraw/zinc/92/54/84/969925484.db2.gz RNKOKWLFHREPQP-CMPLNLGQSA-N 1 3 280.368 1.436 20 10 CDCDHO COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843112643 695891806 /nfs/dbraw/zinc/89/18/06/695891806.db2.gz JYXWZHDBZHUKPM-GFCCVEGCSA-N 1 3 264.369 1.962 20 10 CDCDHO COc1cccc([O-])c1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843112643 695891807 /nfs/dbraw/zinc/89/18/07/695891807.db2.gz JYXWZHDBZHUKPM-GFCCVEGCSA-N 1 3 264.369 1.962 20 10 CDCDHO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CN(C)C(C)C)c1 ZINC000851900171 696069392 /nfs/dbraw/zinc/06/93/92/696069392.db2.gz QLRWOVWOBIGQRP-QWHCGFSZSA-N 1 3 296.411 1.753 20 10 CDCDHO COc1cccc(O)c1CN1CCC[C@H](C[NH3+])C1 ZINC000843047836 696177987 /nfs/dbraw/zinc/17/79/87/696177987.db2.gz YKGUQWSBTKCUKZ-LLVKDONJSA-N 1 3 250.342 1.572 20 10 CDCDHO CCOc1ccc(O)c(CN2CCC[C@H](C[NH3+])C2)c1 ZINC000843047519 723705561 /nfs/dbraw/zinc/70/55/61/723705561.db2.gz RWLGAXCSJYXOKP-GFCCVEGCSA-N 1 3 264.369 1.962 20 10 CDCDHO CCN(CC)c1ccc(CN(C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cc1 ZINC000923320150 724449345 /nfs/dbraw/zinc/44/93/45/724449345.db2.gz VMSMQNVPWRCWBP-XIRDDKMYSA-N 1 3 291.439 1.815 20 10 CDCDHO Cc1cc(O)c(C[NH2+]C[C@H]2CNCCCO2)cc1C ZINC000841085546 724313858 /nfs/dbraw/zinc/31/38/58/724313858.db2.gz GROCKBJFIDBACH-CQSZACIVSA-N 1 3 264.369 1.477 20 10 CDCDHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817962444 725971571 /nfs/dbraw/zinc/97/15/71/725971571.db2.gz MHYMKMWVTWFNDD-STQMWFEESA-N 1 3 295.402 1.908 20 10 CDCDHO COc1cc(CN2CCC[C@@](F)(C[NH3+])CC2)cc(O)c1O ZINC001205546649 939900589 /nfs/dbraw/zinc/90/05/89/939900589.db2.gz XSIWRUDEFSNDTB-HNNXBMFYSA-N 1 3 298.358 1.759 20 10 CDCDHO C[C@H]1C[N@H+](Cc2c([O-])cc(O)cc2O)CCC[C@@H]1C[NH3+] ZINC001206012969 939967017 /nfs/dbraw/zinc/96/70/17/939967017.db2.gz OJTXOBQMIAPFKZ-WDEREUQCSA-N 1 3 280.368 1.610 20 10 CDCDHO C[C@H]1C[N@@H+](Cc2c([O-])cc(O)cc2O)CCC[C@@H]1C[NH3+] ZINC001206012969 939967021 /nfs/dbraw/zinc/96/70/21/939967021.db2.gz OJTXOBQMIAPFKZ-WDEREUQCSA-N 1 3 280.368 1.610 20 10 CDCDHO CCN(CC)C[C@@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001253209319 951808979 /nfs/dbraw/zinc/80/89/79/951808979.db2.gz AMDUBMHJXQUJGV-AWEZNQCLSA-N 1 3 280.412 1.801 20 10 CDCDHO CCOc1cccc(CNC[C@H](C)C[NH2+]C)c1O ZINC001348515832 966037756 /nfs/dbraw/zinc/03/77/56/966037756.db2.gz QFEIFNSXPYHVTN-LLVKDONJSA-N 1 3 252.358 1.736 20 10 CDCDHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889795 618483007 /nfs/dbraw/zinc/48/30/07/618483007.db2.gz VXPHQMWPHMWNCM-GJZGRUSLSA-N 1 3 293.386 1.632 20 10 CDCDHO CCN(CC)C[C@@H](O)C[NH2+]Cc1ccccc1O ZINC000228414527 1165607365 /nfs/dbraw/zinc/60/73/65/1165607365.db2.gz NSFVZUFUIVIRJD-ZDUSSCGKSA-N 1 3 252.358 1.185 20 10 CDCDHO COc1ccc(O)c(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070171746 726201708 /nfs/dbraw/zinc/20/17/08/726201708.db2.gz FXMVBDOIIDMCQB-NEPJUHHUSA-N 1 3 264.369 1.960 20 10 CDCDHO C[C@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)CC[N@@H+]1C ZINC000090720547 727816637 /nfs/dbraw/zinc/81/66/37/727816637.db2.gz LLOXYNQZLBDAQZ-JQWIXIFHSA-N 1 3 278.352 1.693 20 10 CDCDHO C[C@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)CC[N@H+]1C ZINC000090720547 727816638 /nfs/dbraw/zinc/81/66/38/727816638.db2.gz LLOXYNQZLBDAQZ-JQWIXIFHSA-N 1 3 278.352 1.693 20 10 CDCDHO CN(Cc1ccc(N2CCN(C)CC2)cc1)CC(C)(C)[NH3+] ZINC000849349700 727939421 /nfs/dbraw/zinc/93/94/21/727939421.db2.gz FGYRRHXBBIDIFU-UHFFFAOYSA-N 1 3 290.455 1.608 20 10 CDCDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000817894255 728145509 /nfs/dbraw/zinc/14/55/09/728145509.db2.gz CLYRVDOLMPCVKO-APHBMKBZSA-N 1 3 277.412 1.595 20 10 CDCDHO Cc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205228929 919216627 /nfs/dbraw/zinc/21/66/27/919216627.db2.gz KICJYOSHDAGAAZ-HNNXBMFYSA-N 1 3 264.369 1.376 20 10 CDCDHO Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205228929 919216635 /nfs/dbraw/zinc/21/66/35/919216635.db2.gz KICJYOSHDAGAAZ-HNNXBMFYSA-N 1 3 264.369 1.376 20 10 CDCDHO C[NH2+]C[C@H](C)CNCc1cc2c(cc1O)OCO2 ZINC001327416188 954870826 /nfs/dbraw/zinc/87/08/26/954870826.db2.gz PQUBELDCZRAHGE-VIFPVBQESA-N 1 3 252.314 1.066 20 10 CDCDHO CCOc1ccc(O)c(CN2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000843057541 618691199 /nfs/dbraw/zinc/69/11/99/618691199.db2.gz JNURRONSTUCQRI-RYUDHWBXSA-N 1 3 264.369 1.960 20 10 CDCDHO COc1ccc(O)c(CN2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000126904839 729801834 /nfs/dbraw/zinc/80/18/34/729801834.db2.gz SIDALCANVWGRMT-QWRGUYRKSA-N 1 3 250.342 1.570 20 10 CDCDHO COc1ccc(O)c(CN[C@H](C[NH3+])CC(C)C)c1 ZINC000841038664 936973097 /nfs/dbraw/zinc/97/30/97/936973097.db2.gz NJGQLWNCWSDRGS-LBPRGKRZSA-N 1 3 252.358 1.864 20 10 CDCDHO CN1CCN(c2ccc(CN3CC(C)(C[NH3+])C3)cc2)CC1 ZINC001206718434 939640514 /nfs/dbraw/zinc/64/05/14/939640514.db2.gz QUHHWLBPZCOKCU-UHFFFAOYSA-N 1 3 288.439 1.219 20 10 CDCDHO COc1cc(C)c(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205248452 939842759 /nfs/dbraw/zinc/84/27/59/939842759.db2.gz PLCURDZUYPBQRA-MRXNPFEDSA-N 1 3 294.395 1.385 20 10 CDCDHO COc1cc(C)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205248452 939842761 /nfs/dbraw/zinc/84/27/61/939842761.db2.gz PLCURDZUYPBQRA-MRXNPFEDSA-N 1 3 294.395 1.385 20 10 CDCDHO CN(C)c1ccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)cc1 ZINC001205662572 939913462 /nfs/dbraw/zinc/91/34/62/939913462.db2.gz CGKBYCXZIVYAPO-MRXNPFEDSA-N 1 3 277.412 1.428 20 10 CDCDHO CN(C)c1ccc(C[N@H+]2CCCC[C@@](O)(CN)C2)cc1 ZINC001205662572 939913464 /nfs/dbraw/zinc/91/34/64/939913464.db2.gz CGKBYCXZIVYAPO-MRXNPFEDSA-N 1 3 277.412 1.428 20 10 CDCDHO CN(C)c1ccc(CN2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205662572 939913465 /nfs/dbraw/zinc/91/34/65/939913465.db2.gz CGKBYCXZIVYAPO-MRXNPFEDSA-N 1 3 277.412 1.428 20 10 CDCDHO CN(C)c1ccc(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c(O)c1 ZINC001232840524 943417257 /nfs/dbraw/zinc/41/72/57/943417257.db2.gz CBZGOSMNHIRTNC-RHSMWYFYSA-N 1 3 289.423 1.842 20 10 CDCDHO CCN(CC)C[C@H](O)C[NH2+]Cc1cccc(C)c1O ZINC001253214992 951816176 /nfs/dbraw/zinc/81/61/76/951816176.db2.gz UUGJIILIVUYARP-CQSZACIVSA-N 1 3 266.385 1.493 20 10 CDCDHO Cc1cccc(C[NH2+]CC2(O)CCN(C)CC2)c1O ZINC000271836065 334747088 /nfs/dbraw/zinc/74/70/88/334747088.db2.gz PUNYZBWJWYVRLX-UHFFFAOYSA-N 1 3 264.369 1.247 20 10 CDCDHO COc1ccc(CN[C@@H](C)CC[NH+](C)C)c(O)c1OC ZINC000892762482 617710868 /nfs/dbraw/zinc/71/08/68/617710868.db2.gz AJCBEBYHDJMEGL-NSHDSACASA-N 1 3 282.384 1.839 20 10 CDCDHO C[C@@]1([NH3+])CCCN(Cc2cc(O)ccc2O)CC1 ZINC001205273609 918512829 /nfs/dbraw/zinc/51/28/29/918512829.db2.gz MMNJMTKZAQDAQC-CQSZACIVSA-N 1 3 250.342 1.801 20 10 CDCDHO Cc1ccc(CN2CC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276168247 932590960 /nfs/dbraw/zinc/59/09/60/932590960.db2.gz DEXBWPPWDIWTOR-UHFFFAOYSA-N 1 3 289.423 1.380 20 10 CDCDHO CCOc1cccc(CNC[C@@H](C)C[NH2+]C)c1O ZINC001348515833 966031994 /nfs/dbraw/zinc/03/19/94/966031994.db2.gz QFEIFNSXPYHVTN-NSHDSACASA-N 1 3 252.358 1.736 20 10 CDCDHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000269081581 328079447 /nfs/dbraw/zinc/07/94/47/328079447.db2.gz ZQFRSMVDCINLPH-CQSZACIVSA-N 1 3 291.439 1.860 20 10 CDCDHO CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@]3(N)C2)c(O)c1 ZINC001235992043 914502861 /nfs/dbraw/zinc/50/28/61/914502861.db2.gz PZBUQJRBDMVYHO-DOMZBBRYSA-N 1 3 261.369 1.381 20 10 CDCDHO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@]3(N)C2)c(O)c1 ZINC001235992043 914502865 /nfs/dbraw/zinc/50/28/65/914502865.db2.gz PZBUQJRBDMVYHO-DOMZBBRYSA-N 1 3 261.369 1.381 20 10 CDCDHO Cc1ccc(C[N@@H+]2CCCC[C@](O)(CN)C2)c(O)c1 ZINC001205680826 924397271 /nfs/dbraw/zinc/39/72/71/924397271.db2.gz BPXMAPXJGHUYTN-HNNXBMFYSA-N 1 3 264.369 1.376 20 10 CDCDHO Cc1ccc(C[N@H+]2CCCC[C@](O)(CN)C2)c(O)c1 ZINC001205680826 924397275 /nfs/dbraw/zinc/39/72/75/924397275.db2.gz BPXMAPXJGHUYTN-HNNXBMFYSA-N 1 3 264.369 1.376 20 10 CDCDHO C[NH+](C)CC1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203879412 939710854 /nfs/dbraw/zinc/71/08/54/939710854.db2.gz QGNLIQFSPZSXSG-UHFFFAOYSA-N 1 3 264.369 1.871 20 10 CDCDHO C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1[O-] ZINC001246240537 948050737 /nfs/dbraw/zinc/05/07/37/948050737.db2.gz PWCOJYJLEAZLPY-NWDGAFQWSA-N 1 3 261.369 1.137 20 10 CDCDHO C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccccc1[O-] ZINC000219321554 737630990 /nfs/dbraw/zinc/63/09/90/737630990.db2.gz GVFQKPBYXXZHJZ-LBPRGKRZSA-N 1 3 252.358 1.621 20 10 CDCDHO COc1cccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)c1O ZINC000841033451 936972507 /nfs/dbraw/zinc/97/25/07/936972507.db2.gz NXQSJRFEKCIZPJ-VXGBXAGGSA-N 1 3 264.369 1.879 20 10 CDCDHO COc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c([O-])c1 ZINC001236313977 944464150 /nfs/dbraw/zinc/46/41/50/944464150.db2.gz CTDKRTRFUSZNID-BETUJISGSA-N 1 3 276.380 1.832 20 10 CDCDHO COc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c([O-])c1 ZINC001236313977 944464151 /nfs/dbraw/zinc/46/41/51/944464151.db2.gz CTDKRTRFUSZNID-BETUJISGSA-N 1 3 276.380 1.832 20 10 CDCDHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CCN1 ZINC001246250769 948055693 /nfs/dbraw/zinc/05/56/93/948055693.db2.gz YDVVOULQJUOQBR-PWSUYJOCSA-N 1 3 250.342 1.370 20 10 CDCDHO C[C@@H]1C[C@@H](NCCc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246250769 948055700 /nfs/dbraw/zinc/05/57/00/948055700.db2.gz YDVVOULQJUOQBR-PWSUYJOCSA-N 1 3 250.342 1.370 20 10 CDCDHO C[NH2+]CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001341621260 963486969 /nfs/dbraw/zinc/48/69/69/963486969.db2.gz FOZSCACDFSGQBF-OAHLLOKOSA-N 1 3 292.427 1.081 20 10 CDCDHO COc1cc(O)c(CNC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000841032623 742502679 /nfs/dbraw/zinc/50/26/79/742502679.db2.gz IFMQAPRJQDCMCY-LLVKDONJSA-N 1 3 280.368 1.499 20 10 CDCDHO F[C@@H]1CNCC[C@@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218070467 941038610 /nfs/dbraw/zinc/03/86/10/941038610.db2.gz MTRQOYVQDSWUNQ-CABCVRRESA-N 1 3 279.359 1.175 20 10 CDCDHO Cc1cccc(CN2CCN(CCC[NH+](C)C)CC2)c1O ZINC001231593668 942938839 /nfs/dbraw/zinc/93/88/39/942938839.db2.gz KWUSOYYMYRAVIG-UHFFFAOYSA-N 1 3 291.439 1.770 20 10 CDCDHO COc1cccc(O)c1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421222 626295475 /nfs/dbraw/zinc/29/54/75/626295475.db2.gz UKCXVCPYMJZGSP-NWDGAFQWSA-N 1 3 262.353 1.442 20 10 CDCDHO COc1cccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)c1O ZINC000846142774 746834855 /nfs/dbraw/zinc/83/48/55/746834855.db2.gz CJEPJKPVCDLAJZ-LBPRGKRZSA-N 1 3 294.395 1.508 20 10 CDCDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230368 749256704 /nfs/dbraw/zinc/25/67/04/749256704.db2.gz NYGQKAKHVDGFQE-KBPBESRZSA-N 1 3 291.439 1.863 20 10 CDCDHO Cc1ccc(CN2CCN(CC[NH+](C)C)CC2)c(O)c1 ZINC001140948578 936782697 /nfs/dbraw/zinc/78/26/97/936782697.db2.gz PHURLBUXRYAAMD-UHFFFAOYSA-N 1 3 277.412 1.380 20 10 CDCDHO CCN(CC)C[C@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001253209322 930115986 /nfs/dbraw/zinc/11/59/86/930115986.db2.gz AMDUBMHJXQUJGV-CQSZACIVSA-N 1 3 280.412 1.801 20 10 CDCDHO C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1[NH3+] ZINC000843121015 751322428 /nfs/dbraw/zinc/32/24/28/751322428.db2.gz YLVNGIBHDVPRAO-RHSMWYFYSA-N 1 3 288.439 1.217 20 10 CDCDHO C[C@@H](C[NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001263259978 943812414 /nfs/dbraw/zinc/81/24/14/943812414.db2.gz MWWUHPIYKKZCHV-SWLSCSKDSA-N 1 3 292.427 1.066 20 10 CDCDHO C[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001345639066 964767891 /nfs/dbraw/zinc/76/78/91/964767891.db2.gz XNHUIOYRSPTGRA-WFASDCNBSA-N 1 3 292.427 1.079 20 10 CDCDHO Cc1cccc(C[NH+]2CCC(N(C)CCCO)CC2)c1O ZINC000271757407 364996377 /nfs/dbraw/zinc/99/63/77/364996377.db2.gz CYZGNKLFZQCXBV-UHFFFAOYSA-N 1 3 292.423 1.979 20 10 CDCDHO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000273607921 278836290 /nfs/dbraw/zinc/83/62/90/278836290.db2.gz UUKBFYCZEOCRBO-CYBMUJFWSA-N 1 3 278.396 1.808 20 10 CDCDHO COc1ccc(O)c(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1 ZINC000037649068 524753406 /nfs/dbraw/zinc/75/34/06/524753406.db2.gz QTYISILIWBTGKX-GFCCVEGCSA-N 1 3 276.380 1.975 20 10 CDCDHO COc1ccc(N2CCCN(CCC[NH3+])CC2)cc1 ZINC000841008442 753921275 /nfs/dbraw/zinc/92/12/75/753921275.db2.gz PMDCYIWFWXODPR-UHFFFAOYSA-N 1 3 263.385 1.556 20 10 CDCDHO COc1cc(CN2CC[C@](C)(O)C2)cc(C[NH+](C)C)c1O ZINC001139256386 936611830 /nfs/dbraw/zinc/61/18/30/936611830.db2.gz ZRNVABHFGGCYEE-INIZCTEOSA-N 1 3 294.395 1.419 20 10 CDCDHO Cc1c(O)ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1O ZINC001140748014 936749724 /nfs/dbraw/zinc/74/97/24/936749724.db2.gz RFTLOPZRZPDKEO-INIZCTEOSA-N 1 3 276.380 1.934 20 10 CDCDHO Cc1c(O)ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1O ZINC001140748014 936749725 /nfs/dbraw/zinc/74/97/25/936749725.db2.gz RFTLOPZRZPDKEO-INIZCTEOSA-N 1 3 276.380 1.934 20 10 CDCDHO COc1cc(CN2CCCC[C@@H](C[NH3+])C2)c(O)cc1O ZINC001206631923 937203131 /nfs/dbraw/zinc/20/31/31/937203131.db2.gz CVXSQPBPVKDQAM-NSHDSACASA-N 1 3 280.368 1.667 20 10 CDCDHO CC(C)N(CCC[NH3+])c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001164127258 939414810 /nfs/dbraw/zinc/41/48/10/939414810.db2.gz SIIUVJVIAJLJRQ-UHFFFAOYSA-N 1 3 278.356 1.762 20 10 CDCDHO [NH3+]C[C@@H]1CCCC[N@H+](Cc2c([O-])cc(O)cc2O)C1 ZINC001206633386 940074881 /nfs/dbraw/zinc/07/48/81/940074881.db2.gz XGIRLQDEUTWQRX-JTQLQIEISA-N 1 3 266.341 1.364 20 10 CDCDHO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2c([O-])cc(O)cc2O)C1 ZINC001206633386 940074883 /nfs/dbraw/zinc/07/48/83/940074883.db2.gz XGIRLQDEUTWQRX-JTQLQIEISA-N 1 3 266.341 1.364 20 10 CDCDHO CCC[NH+]1CCC(NCCc2cc(O)c(O)cc2O)CC1 ZINC001258766574 945404824 /nfs/dbraw/zinc/40/48/24/945404824.db2.gz ZFNTURMGYZEPEH-UHFFFAOYSA-N 1 3 294.395 1.810 20 10 CDCDHO C[C@@H](CC[NH3+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841052910 621600603 /nfs/dbraw/zinc/60/06/03/621600603.db2.gz XNORATSOGDBHGT-LBPRGKRZSA-N 1 3 281.375 1.489 20 10 CDCDHO COc1cc(O)c(CNC[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000841057457 936973686 /nfs/dbraw/zinc/97/36/86/936973686.db2.gz NJGUTXNSDSDBEJ-MRXNPFEDSA-N 1 3 294.395 1.889 20 10 CDCDHO CCN1CCN(c2ccc(O[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC001234657799 943929953 /nfs/dbraw/zinc/92/99/53/943929953.db2.gz IQGPRDASLHLZRY-QGZVFWFLSA-N 1 3 289.423 1.911 20 10 CDCDHO CCN1CCN(c2ccc(O[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC001234657799 943929959 /nfs/dbraw/zinc/92/99/59/943929959.db2.gz IQGPRDASLHLZRY-QGZVFWFLSA-N 1 3 289.423 1.911 20 10 CDCDHO C[N@@H+](Cc1ccccc1[O-])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722735 626064054 /nfs/dbraw/zinc/06/40/54/626064054.db2.gz OGXOMVAPIZCXNK-OAHLLOKOSA-N 1 3 290.407 1.983 20 10 CDCDHO C[N@H+](Cc1ccccc1[O-])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722735 626064058 /nfs/dbraw/zinc/06/40/58/626064058.db2.gz OGXOMVAPIZCXNK-OAHLLOKOSA-N 1 3 290.407 1.983 20 10 CDCDHO COc1cccc(CN[C@H]2CCC[NH2+]CC2)c1O ZINC000841057458 773894163 /nfs/dbraw/zinc/89/41/63/773894163.db2.gz KUZUEEUKRSHBMY-LBPRGKRZSA-N 1 3 250.342 1.633 20 10 CDCDHO CCOc1ccc(CN2CCC[C@H](C[NH3+])C2)c(O)c1 ZINC000843047876 775577611 /nfs/dbraw/zinc/57/76/11/775577611.db2.gz ZSUCTHKZZMTIOS-GFCCVEGCSA-N 1 3 264.369 1.962 20 10 CDCDHO CCOc1cccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1[O-] ZINC001205210094 918933240 /nfs/dbraw/zinc/93/32/40/918933240.db2.gz MNNOMKMRJJQSGB-INIZCTEOSA-N 1 3 294.395 1.467 20 10 CDCDHO CCOc1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1[O-] ZINC001205210094 918933256 /nfs/dbraw/zinc/93/32/56/918933256.db2.gz MNNOMKMRJJQSGB-INIZCTEOSA-N 1 3 294.395 1.467 20 10 CDCDHO COc1cc(CN2C[C@@H]3C[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139255111 936611735 /nfs/dbraw/zinc/61/17/35/936611735.db2.gz NDDXOJVEAIHLHB-BETUJISGSA-N 1 3 276.380 1.914 20 10 CDCDHO COc1cc(C[N@H+](C)CC2COC2)cc(C[NH+](C)C)c1[O-] ZINC001139258797 936611798 /nfs/dbraw/zinc/61/17/98/936611798.db2.gz WNBFEZCEXCLSLJ-UHFFFAOYSA-N 1 3 294.395 1.541 20 10 CDCDHO COc1cc(C[N@@H+](C)CC2COC2)cc(C[NH+](C)C)c1[O-] ZINC001139258797 936611801 /nfs/dbraw/zinc/61/18/01/936611801.db2.gz WNBFEZCEXCLSLJ-UHFFFAOYSA-N 1 3 294.395 1.541 20 10 CDCDHO CCc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001222104857 941565646 /nfs/dbraw/zinc/56/56/46/941565646.db2.gz OEXGMTVDCTVRNW-UHFFFAOYSA-N 1 3 289.423 1.482 20 10 CDCDHO CCc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001222104857 941565649 /nfs/dbraw/zinc/56/56/49/941565649.db2.gz OEXGMTVDCTVRNW-UHFFFAOYSA-N 1 3 289.423 1.482 20 10 CDCDHO CCN1CCN(c2ccc(CN3CC[C@H]([NH3+])C3)cc2)CC1 ZINC001236169313 944421072 /nfs/dbraw/zinc/42/10/72/944421072.db2.gz CTQUSKUVSORLEX-INIZCTEOSA-N 1 3 288.439 1.362 20 10 CDCDHO [NH3+]CCN(CC[NH3+])Cc1ccc(C(F)(F)F)cc1[O-] ZINC001235879831 914345762 /nfs/dbraw/zinc/34/57/62/914345762.db2.gz GUIYRJROGIXQFS-UHFFFAOYSA-N 1 3 277.290 1.130 20 10 CDCDHO COc1ccc(O)c(CN2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000070171745 917200281 /nfs/dbraw/zinc/20/02/81/917200281.db2.gz FXMVBDOIIDMCQB-RYUDHWBXSA-N 1 3 264.369 1.960 20 10 CDCDHO Cc1cccc(C[N@@H+]2CCCC[C@](O)(CN)C2)c1O ZINC001205688325 924477671 /nfs/dbraw/zinc/47/76/71/924477671.db2.gz FUSRVBXWCXXUEZ-HNNXBMFYSA-N 1 3 264.369 1.376 20 10 CDCDHO Cc1cccc(C[N@H+]2CCCC[C@](O)(CN)C2)c1O ZINC001205688325 924477676 /nfs/dbraw/zinc/47/76/76/924477676.db2.gz FUSRVBXWCXXUEZ-HNNXBMFYSA-N 1 3 264.369 1.376 20 10 CDCDHO Oc1cc2c(cc1CN[C@H]1CCC[NH2+]CC1)OCO2 ZINC000841057119 936973507 /nfs/dbraw/zinc/97/35/07/936973507.db2.gz IIWRFNZDJXRMCR-NSHDSACASA-N 1 3 264.325 1.353 20 10 CDCDHO COc1cc(O)c(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1OC ZINC001206200118 939997217 /nfs/dbraw/zinc/99/72/17/939997217.db2.gz QIOPPGWQUWIHJQ-NEPJUHHUSA-N 1 3 298.358 1.671 20 10 CDCDHO COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1OC ZINC001206200118 939997219 /nfs/dbraw/zinc/99/72/19/939997219.db2.gz QIOPPGWQUWIHJQ-NEPJUHHUSA-N 1 3 298.358 1.671 20 10 CDCDHO C[C@H]1C[NH2+]C[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2[O-])C1 ZINC001219651238 941370941 /nfs/dbraw/zinc/37/09/41/941370941.db2.gz URXVWNIABQNWSF-YRGRVCCFSA-N 1 3 291.395 1.144 20 10 CDCDHO CCN1CCN(c2ccc(CN(C)C[C@H](C)[NH3+])cc2)CC1 ZINC001236895049 944609454 /nfs/dbraw/zinc/60/94/54/944609454.db2.gz ITDVTRUMNKKVLC-HNNXBMFYSA-N 1 3 290.455 1.608 20 10 CDCDHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(N(C)C)cc1 ZINC000268872106 299314814 /nfs/dbraw/zinc/31/48/14/299314814.db2.gz VKPDAWULDYRDIF-YOEHRIQHSA-N 1 3 291.439 1.860 20 10 CDCDHO COc1ccc(O)c([C@H](C)[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000273585178 334767467 /nfs/dbraw/zinc/76/74/67/334767467.db2.gz NPKJOWHVFUXIFZ-LBPRGKRZSA-N 1 3 294.395 1.508 20 10 CDCDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817888964 618482707 /nfs/dbraw/zinc/48/27/07/618482707.db2.gz QGSOBOSKQWBAOF-QWHCGFSZSA-N 1 3 295.402 1.878 20 10 CDCDHO COc1cc(O)c(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000843057188 618691088 /nfs/dbraw/zinc/69/10/88/618691088.db2.gz GMMRDZCNQKGAGY-MNOVXSKESA-N 1 3 280.368 1.579 20 10 CDCDHO COc1cc(O)c(CN2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000843057855 618691921 /nfs/dbraw/zinc/69/19/21/618691921.db2.gz MNFMNHSFAJHDEH-QWRGUYRKSA-N 1 3 280.368 1.579 20 10 CDCDHO C[C@]1([NH3+])CCCN(Cc2cc(O)ccc2O)CC1 ZINC001205273599 918512654 /nfs/dbraw/zinc/51/26/54/918512654.db2.gz MMNJMTKZAQDAQC-AWEZNQCLSA-N 1 3 250.342 1.801 20 10 CDCDHO Cc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205228931 919218094 /nfs/dbraw/zinc/21/80/94/919218094.db2.gz KICJYOSHDAGAAZ-OAHLLOKOSA-N 1 3 264.369 1.376 20 10 CDCDHO Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205228931 919218102 /nfs/dbraw/zinc/21/81/02/919218102.db2.gz KICJYOSHDAGAAZ-OAHLLOKOSA-N 1 3 264.369 1.376 20 10 CDCDHO CC(C)[C@@H](N)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841028147 936972229 /nfs/dbraw/zinc/97/22/29/936972229.db2.gz BQYJRHTYKGVMMO-JTQLQIEISA-N 1 3 252.314 1.194 20 10 CDCDHO CC[N@H+](CCN)Cc1ccc(N2CCOCC2)cc1 ZINC000863644727 929584659 /nfs/dbraw/zinc/58/46/59/929584659.db2.gz HVXVTIXSPXMJPU-UHFFFAOYSA-N 1 3 263.385 1.304 20 10 CDCDHO CC[N@@H+](CCN)Cc1ccc(N2CCOCC2)cc1 ZINC000863644727 929584664 /nfs/dbraw/zinc/58/46/64/929584664.db2.gz HVXVTIXSPXMJPU-UHFFFAOYSA-N 1 3 263.385 1.304 20 10 CDCDHO C[C@@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000817945084 930641625 /nfs/dbraw/zinc/64/16/25/930641625.db2.gz TYYSZWRSRRPHBU-YPMHNXCESA-N 1 3 293.386 1.574 20 10 CDCDHO COc1ccc(O)c(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000253184040 935095331 /nfs/dbraw/zinc/09/53/31/935095331.db2.gz HBBXTSLMFPTHAG-DGCLKSJQSA-N 1 3 264.369 1.818 20 10 CDCDHO COc1cc(O)c(C[NH2+]CC[C@@H](C)N(C)C)cc1OC ZINC000895296542 619528882 /nfs/dbraw/zinc/52/88/82/619528882.db2.gz OLAOBFVCIKMYAU-LLVKDONJSA-N 1 3 282.384 1.839 20 10 CDCDHO COc1ccc(C[NH2+]CC[C@@H](C)N(C)C)c(O)c1OC ZINC000895427232 619654126 /nfs/dbraw/zinc/65/41/26/619654126.db2.gz CAZNCSIVWQTPFZ-LLVKDONJSA-N 1 3 282.384 1.839 20 10 CDCDHO CCOc1cccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904420937 626294780 /nfs/dbraw/zinc/29/47/80/626294780.db2.gz JHAMTGHHDRZCHO-GXTWGEPZSA-N 1 3 276.380 1.832 20 10 CDCDHO C[C@H]([NH2+]C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)c1ccccc1[O-] ZINC001579485820 1172196704 /nfs/dbraw/zinc/19/67/04/1172196704.db2.gz RPRQEQMYFBZSBV-WOSRLPQWSA-N 1 3 276.380 1.811 20 10 CDCDHO Cc1ccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)c(O)c1 ZINC001205680827 924397229 /nfs/dbraw/zinc/39/72/29/924397229.db2.gz BPXMAPXJGHUYTN-OAHLLOKOSA-N 1 3 264.369 1.376 20 10 CDCDHO Cc1ccc(C[N@H+]2CCCC[C@@](O)(CN)C2)c(O)c1 ZINC001205680827 924397233 /nfs/dbraw/zinc/39/72/33/924397233.db2.gz BPXMAPXJGHUYTN-OAHLLOKOSA-N 1 3 264.369 1.376 20 10 CDCDHO Cc1cc(F)cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1[O-] ZINC001222105050 941565891 /nfs/dbraw/zinc/56/58/91/941565891.db2.gz SJLVIIDLJOENLG-UHFFFAOYSA-N 1 3 293.386 1.367 20 10 CDCDHO Cc1cc(F)cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1[O-] ZINC001222105050 941565895 /nfs/dbraw/zinc/56/58/95/941565895.db2.gz SJLVIIDLJOENLG-UHFFFAOYSA-N 1 3 293.386 1.367 20 10 CDCDHO C[C@H]1CC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)CN1 ZINC001246210166 948028835 /nfs/dbraw/zinc/02/88/35/948028835.db2.gz CGDGRAIUQBQSHP-ONGXEEELSA-N 1 3 266.341 1.076 20 10 CDCDHO CC[C@@H](N)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841070341 618681792 /nfs/dbraw/zinc/68/17/92/618681792.db2.gz PPHOVEUQFQLSHW-CQSZACIVSA-N 1 3 263.385 1.350 20 10 CDCDHO COc1cccc([O-])c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000841054793 791581338 /nfs/dbraw/zinc/58/13/38/791581338.db2.gz HTZYACIBFMNSMP-MNOVXSKESA-N 1 3 250.342 1.760 20 10 CDCDHO C[C@@]1(C[NH3+])CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843115105 795820275 /nfs/dbraw/zinc/82/02/75/795820275.db2.gz GURSAZSUOSNQBI-KRWDZBQOSA-N 1 3 289.423 1.694 20 10 CDCDHO CCN1C[C@@H]2C[NH+](Cc3ccc(O)c(C)c3O)C[C@H]2C1 ZINC001140749516 936749484 /nfs/dbraw/zinc/74/94/84/936749484.db2.gz CHMPXQPNXABBKZ-ZIAGYGMSSA-N 1 3 276.380 1.790 20 10 CDCDHO Cc1cc(C[N@@H+]2CCCC[C@@](O)(CN)C2)ccc1N(C)C ZINC001205681763 939918513 /nfs/dbraw/zinc/91/85/13/939918513.db2.gz NMOGEHVLSYASAZ-QGZVFWFLSA-N 1 3 291.439 1.737 20 10 CDCDHO Cc1cc(C[N@H+]2CCCC[C@@](O)(CN)C2)ccc1N(C)C ZINC001205681763 939918514 /nfs/dbraw/zinc/91/85/14/939918514.db2.gz NMOGEHVLSYASAZ-QGZVFWFLSA-N 1 3 291.439 1.737 20 10 CDCDHO Cc1cc(CN2CCCC[C@@](O)(C[NH3+])C2)ccc1N(C)C ZINC001205681763 939918516 /nfs/dbraw/zinc/91/85/16/939918516.db2.gz NMOGEHVLSYASAZ-QGZVFWFLSA-N 1 3 291.439 1.737 20 10 CDCDHO CC(C)c1ccc(CN2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206535300 940056692 /nfs/dbraw/zinc/05/66/92/940056692.db2.gz IVKGARXOZHSQRI-ZFWWWQNUSA-N 1 3 264.369 1.267 20 10 CDCDHO Oc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1O ZINC001246233716 948042497 /nfs/dbraw/zinc/04/24/97/948042497.db2.gz CLJQFBZZUWBPKN-FUNVUKJBSA-N 1 3 262.353 1.513 20 10 CDCDHO CCN(CC)C[C@@H](O)C[NH2+]Cc1cccc(C)c1O ZINC001253214991 951816427 /nfs/dbraw/zinc/81/64/27/951816427.db2.gz UUGJIILIVUYARP-AWEZNQCLSA-N 1 3 266.385 1.493 20 10 CDCDHO Nc1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC001352788522 967482114 /nfs/dbraw/zinc/48/21/14/967482114.db2.gz FHLWWVYXNLZJCV-OAHLLOKOSA-N 1 3 290.411 1.088 20 10 CDCDHO CCOc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c([O-])c1 ZINC000841036848 621240668 /nfs/dbraw/zinc/24/06/68/621240668.db2.gz PVGSUPPRLCBVCA-LBPRGKRZSA-N 1 3 264.369 1.880 20 10 CDCDHO COc1cccc(O)c1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000841100266 630581791 /nfs/dbraw/zinc/58/17/91/630581791.db2.gz AEBCGSXZAGFICV-RYUDHWBXSA-N 1 3 264.369 1.818 20 10 CDCDHO CCC[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1[O-] ZINC000843358528 937142424 /nfs/dbraw/zinc/14/24/24/937142424.db2.gz VJARVNAHRTVNGR-UHFFFAOYSA-N 1 3 277.412 1.509 20 10 CDCDHO CCC[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1[O-] ZINC000843358528 937142425 /nfs/dbraw/zinc/14/24/25/937142425.db2.gz VJARVNAHRTVNGR-UHFFFAOYSA-N 1 3 277.412 1.509 20 10 CDCDHO CC[NH+]1CCC(NC[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001169220481 927816545 /nfs/dbraw/zinc/81/65/45/927816545.db2.gz RZWHGRQDKIKZRG-HNNXBMFYSA-N 1 3 280.368 1.205 20 10 CDCDHO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2N)cc1F ZINC000817898799 930621796 /nfs/dbraw/zinc/62/17/96/930621796.db2.gz BGOIVNVAAANTTP-CHWSQXEVSA-N 1 3 251.349 1.861 20 10 CDCDHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000817894916 930621863 /nfs/dbraw/zinc/62/18/63/930621863.db2.gz OWCDFCOVHGJGKK-JKSUJKDBSA-N 1 3 275.396 1.493 20 10 CDCDHO C[C@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000817945081 930642848 /nfs/dbraw/zinc/64/28/48/930642848.db2.gz TYYSZWRSRRPHBU-AAEUAGOBSA-N 1 3 293.386 1.574 20 10 CDCDHO CC(C)c1ccc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001236000210 944368676 /nfs/dbraw/zinc/36/86/76/944368676.db2.gz RYUUKARCPSGZDX-FKEKPDDDSA-N 1 3 290.407 1.921 20 10 CDCDHO CCN(CC)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC001253208402 951804818 /nfs/dbraw/zinc/80/48/18/951804818.db2.gz PIBAGWGMDOJUQF-QWHCGFSZSA-N 1 3 266.385 1.746 20 10 CDCDHO COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843059006 618692365 /nfs/dbraw/zinc/69/23/65/618692365.db2.gz BZOKWDWYVDYOCO-SCRDCRAPSA-N 1 3 276.380 1.960 20 10 CDCDHO COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843059006 618692368 /nfs/dbraw/zinc/69/23/68/618692368.db2.gz BZOKWDWYVDYOCO-SCRDCRAPSA-N 1 3 276.380 1.960 20 10 CDCDHO CCOc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c([O-])c1 ZINC000904405435 626282264 /nfs/dbraw/zinc/28/22/64/626282264.db2.gz IKZUUAUVKAEPIV-GFCCVEGCSA-N 1 3 264.369 1.962 20 10 CDCDHO CCOc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c([O-])c1 ZINC000904405435 626282267 /nfs/dbraw/zinc/28/22/67/626282267.db2.gz IKZUUAUVKAEPIV-GFCCVEGCSA-N 1 3 264.369 1.962 20 10 CDCDHO COc1cccc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c1O ZINC000253202391 805328164 /nfs/dbraw/zinc/32/81/64/805328164.db2.gz YVMHBBXRFPNAQF-DGCLKSJQSA-N 1 3 264.369 1.818 20 10 CDCDHO Cc1cccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1O ZINC000843125133 811876747 /nfs/dbraw/zinc/87/67/47/811876747.db2.gz XBUMVCYQQUBUIK-HNNXBMFYSA-N 1 3 275.396 1.180 20 10 CDCDHO COc1cccc([O-])c1C[NH+]1CCC(CC[NH3+])CC1 ZINC000844909925 812372924 /nfs/dbraw/zinc/37/29/24/812372924.db2.gz FPLGAKGQLWLVOU-UHFFFAOYSA-N 1 3 264.369 1.962 20 10 CDCDHO [NH3+]C[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843048725 817324854 /nfs/dbraw/zinc/32/48/54/817324854.db2.gz UFBPKFQYOZBAFL-OAHLLOKOSA-N 1 3 275.396 1.304 20 10 CDCDHO CCN(CC)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC001253208403 930099920 /nfs/dbraw/zinc/09/99/20/930099920.db2.gz PIBAGWGMDOJUQF-STQMWFEESA-N 1 3 266.385 1.746 20 10 CDCDHO COc1ccc(O)c([C@@H](C)N[C@H](C[NH3+])C2CC2)c1 ZINC000817960399 930646859 /nfs/dbraw/zinc/64/68/59/930646859.db2.gz MUSNBVPGYOBWCC-NOZJJQNGSA-N 1 3 250.342 1.789 20 10 CDCDHO COc1cc(C)c(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205248448 939842676 /nfs/dbraw/zinc/84/26/76/939842676.db2.gz PLCURDZUYPBQRA-INIZCTEOSA-N 1 3 294.395 1.385 20 10 CDCDHO COc1cc(C)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205248448 939842678 /nfs/dbraw/zinc/84/26/78/939842678.db2.gz PLCURDZUYPBQRA-INIZCTEOSA-N 1 3 294.395 1.385 20 10 CDCDHO Cc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(O)c1 ZINC000877499040 819822205 /nfs/dbraw/zinc/82/22/05/819822205.db2.gz KWLGCQACMORZBB-UHFFFAOYSA-N 1 3 291.439 1.816 20 10 CDCDHO CN1CC[C@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1 ZINC001141160933 936822859 /nfs/dbraw/zinc/82/28/59/936822859.db2.gz JWMKTERRCALENT-HNNXBMFYSA-N 1 3 262.353 1.625 20 10 CDCDHO CN1CC[C@]2(CC[N@@H+](Cc3cc(O)ccc3O)C2)C1 ZINC001141160933 936822862 /nfs/dbraw/zinc/82/28/62/936822862.db2.gz JWMKTERRCALENT-HNNXBMFYSA-N 1 3 262.353 1.625 20 10 CDCDHO CC[N@H+](CCCN(C)C)Cc1cc(O)ccc1O ZINC001141162453 936822894 /nfs/dbraw/zinc/82/28/94/936822894.db2.gz SAOLEAWQJOHMQE-UHFFFAOYSA-N 1 3 252.358 1.871 20 10 CDCDHO CC[N@@H+](CCCN(C)C)Cc1cc(O)ccc1O ZINC001141162453 936822896 /nfs/dbraw/zinc/82/28/96/936822896.db2.gz SAOLEAWQJOHMQE-UHFFFAOYSA-N 1 3 252.358 1.871 20 10 CDCDHO C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cc2c(cc1O)OCO2 ZINC000843058251 937109756 /nfs/dbraw/zinc/10/97/56/937109756.db2.gz QJKKQLMXPUFACJ-ZJUUUORDSA-N 1 3 264.325 1.290 20 10 CDCDHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817962443 930646386 /nfs/dbraw/zinc/64/63/86/930646386.db2.gz MHYMKMWVTWFNDD-QWHCGFSZSA-N 1 3 295.402 1.908 20 10 CDCDHO COC(=O)Cc1ccc(CN2[C@@H](C)CC[C@H]2C[NH3+])c(O)c1 ZINC001205088736 939820944 /nfs/dbraw/zinc/82/09/44/939820944.db2.gz SDQTZDTUIQUXKX-FZMZJTMJSA-N 1 3 292.379 1.419 20 10 CDCDHO Cc1c(O)ccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)c1O ZINC001205683013 939917647 /nfs/dbraw/zinc/91/76/47/939917647.db2.gz WFZLCMNOXYXGGB-OAHLLOKOSA-N 1 3 280.368 1.082 20 10 CDCDHO Cc1c(O)ccc(C[N@H+]2CCCC[C@@](O)(CN)C2)c1O ZINC001205683013 939917649 /nfs/dbraw/zinc/91/76/49/939917649.db2.gz WFZLCMNOXYXGGB-OAHLLOKOSA-N 1 3 280.368 1.082 20 10 CDCDHO Cc1ccc(C)c(C[N@@H+]2CCCC[C@@](O)(CN)C2)c1O ZINC001205682012 939917672 /nfs/dbraw/zinc/91/76/72/939917672.db2.gz QCJBQGONLCVHJR-MRXNPFEDSA-N 1 3 278.396 1.685 20 10 CDCDHO Cc1ccc(C)c(C[N@H+]2CCCC[C@@](O)(CN)C2)c1O ZINC001205682012 939917675 /nfs/dbraw/zinc/91/76/75/939917675.db2.gz QCJBQGONLCVHJR-MRXNPFEDSA-N 1 3 278.396 1.685 20 10 CDCDHO COc1cccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c1O ZINC000037649334 526023205 /nfs/dbraw/zinc/02/32/05/526023205.db2.gz QMTFHEACRIPGKH-GFCCVEGCSA-N 1 3 276.380 1.975 20 10 CDCDHO CC[C@H]1CN(Cc2cccc(OC)c2O)CC[C@@H]1[NH3+] ZINC000122385906 617684469 /nfs/dbraw/zinc/68/44/69/617684469.db2.gz GVYCIIRBVMDGLD-AAEUAGOBSA-N 1 3 264.369 1.960 20 10 CDCDHO CC[N@H+](CCCN(C)C)Cc1cc2c(cc1O)OCO2 ZINC000230744866 824397596 /nfs/dbraw/zinc/39/75/96/824397596.db2.gz BRVHQAFIIFFMSI-UHFFFAOYSA-N 1 3 280.368 1.895 20 10 CDCDHO CC[N@@H+](CCCN(C)C)Cc1cc2c(cc1O)OCO2 ZINC000230744866 824397603 /nfs/dbraw/zinc/39/76/03/824397603.db2.gz BRVHQAFIIFFMSI-UHFFFAOYSA-N 1 3 280.368 1.895 20 10 CDCDHO C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000817934764 824897239 /nfs/dbraw/zinc/89/72/39/824897239.db2.gz CJFKGBNZCOOGNS-GFCCVEGCSA-N 1 3 281.375 1.477 20 10 CDCDHO COc1cccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)c1O ZINC001205664397 939912585 /nfs/dbraw/zinc/91/25/85/939912585.db2.gz NAGNNDDUWUVGMV-OAHLLOKOSA-N 1 3 280.368 1.077 20 10 CDCDHO COc1cccc(C[N@H+]2CCCC[C@@](O)(CN)C2)c1O ZINC001205664397 939912587 /nfs/dbraw/zinc/91/25/87/939912587.db2.gz NAGNNDDUWUVGMV-OAHLLOKOSA-N 1 3 280.368 1.077 20 10 CDCDHO N[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@H]1F ZINC001206197908 939995662 /nfs/dbraw/zinc/99/56/62/939995662.db2.gz KILYULKKVOOJCZ-NXEZZACHSA-N 1 3 270.304 1.065 20 10 CDCDHO N[C@@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@H]1F ZINC001206197908 939995666 /nfs/dbraw/zinc/99/56/66/939995666.db2.gz KILYULKKVOOJCZ-NXEZZACHSA-N 1 3 270.304 1.065 20 10 CDCDHO CCN1CCN(c2ccc(O[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC001234657798 943930912 /nfs/dbraw/zinc/93/09/12/943930912.db2.gz IQGPRDASLHLZRY-KRWDZBQOSA-N 1 3 289.423 1.911 20 10 CDCDHO CCN1CCN(c2ccc(O[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC001234657798 943930914 /nfs/dbraw/zinc/93/09/14/943930914.db2.gz IQGPRDASLHLZRY-KRWDZBQOSA-N 1 3 289.423 1.911 20 10 CDCDHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889796 618482320 /nfs/dbraw/zinc/48/23/20/618482320.db2.gz VXPHQMWPHMWNCM-HUUCEWRRSA-N 1 3 293.386 1.632 20 10 CDCDHO COc1cc(O)c(CN2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000843057853 618691693 /nfs/dbraw/zinc/69/16/93/618691693.db2.gz MNFMNHSFAJHDEH-GHMZBOCLSA-N 1 3 280.368 1.579 20 10 CDCDHO COc1cc(O)c(CN2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000843057856 618691969 /nfs/dbraw/zinc/69/19/69/618691969.db2.gz MNFMNHSFAJHDEH-WDEREUQCSA-N 1 3 280.368 1.579 20 10 CDCDHO CCOc1cccc(CNC[C@@H]2CCC[NH2+]C2)c1O ZINC000841032553 833017627 /nfs/dbraw/zinc/01/76/27/833017627.db2.gz GTVHHDHGSUDOFH-GFCCVEGCSA-N 1 3 264.369 1.880 20 10 CDCDHO Cc1ccc(O)c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000312992907 833837338 /nfs/dbraw/zinc/83/73/38/833837338.db2.gz SQJCNPGZYHKJNR-OAHLLOKOSA-N 1 3 275.396 1.180 20 10 CDCDHO CN(CCC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC000841004599 832856954 /nfs/dbraw/zinc/85/69/54/832856954.db2.gz UMRJNNHTNIXTGY-UHFFFAOYSA-N 1 3 263.385 1.304 20 10 CDCDHO COc1cc(CN2CC(N(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139253048 936611727 /nfs/dbraw/zinc/61/17/27/936611727.db2.gz JXFKDUOFMPGYEH-UHFFFAOYSA-N 1 3 293.411 1.208 20 10 CDCDHO Cc1cccc(CN2CC3(CN(CC[NH+](C)C)C3)C2)c1O ZINC001276080781 932497843 /nfs/dbraw/zinc/49/78/43/932497843.db2.gz UWNVBURMQNHGKG-UHFFFAOYSA-N 1 3 289.423 1.380 20 10 CDCDHO CC(C)[NH+]1CCC(NCCc2cc(O)c(O)cc2O)CC1 ZINC001257205150 948544732 /nfs/dbraw/zinc/54/47/32/948544732.db2.gz HFORYEBOMWVGHE-UHFFFAOYSA-N 1 3 294.395 1.808 20 10 CDCDHO C[NH2+]CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001341621258 963486723 /nfs/dbraw/zinc/48/67/23/963486723.db2.gz FOZSCACDFSGQBF-HNNXBMFYSA-N 1 3 292.427 1.081 20 10 CDCDHO COc1ccc(O)c(CNC[C@@H]2CCC[NH2+]C2)c1 ZINC000841033226 835780508 /nfs/dbraw/zinc/78/05/08/835780508.db2.gz QEZLZAZXLQKGBH-LLVKDONJSA-N 1 3 250.342 1.490 20 10 CDCDHO CC[C@@H](N)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000841073043 835983373 /nfs/dbraw/zinc/98/33/73/835983373.db2.gz UUKIEJTYEFDFQK-SNVBAGLBSA-N 1 3 254.330 1.236 20 10 CDCDHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000818431575 838951512 /nfs/dbraw/zinc/95/15/12/838951512.db2.gz POVJBNWRYICIAE-IAGOWNOFSA-N 1 3 289.423 1.883 20 10 CDCDHO C[C@@H]1C[C@@H](C)N(Cc2cc3c(cc2O)OCO3)C[C@@H]1C[NH3+] ZINC000817864848 839824433 /nfs/dbraw/zinc/82/44/33/839824433.db2.gz DVDKCQBQSNGVOB-WZRBSPASSA-N 1 3 292.379 1.926 20 10 CDCDHO Cc1cc(Cl)cc(C[N@H+](C)CCN2CC[NH2+]CC2)c1[O-] ZINC000843053333 840955258 /nfs/dbraw/zinc/95/52/58/840955258.db2.gz WNHGSLUGQXJGNC-UHFFFAOYSA-N 1 3 297.830 1.691 20 10 CDCDHO Cc1cc(Cl)cc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1[O-] ZINC000843053333 840955263 /nfs/dbraw/zinc/95/52/63/840955263.db2.gz WNHGSLUGQXJGNC-UHFFFAOYSA-N 1 3 297.830 1.691 20 10 CDCDHO Cc1c(O)ccc(C[N@@H+](C)CCCN(C)C)c1O ZINC001140742775 936748588 /nfs/dbraw/zinc/74/85/88/936748588.db2.gz YRKKJERJVBZQJG-UHFFFAOYSA-N 1 3 252.358 1.790 20 10 CDCDHO Cc1c(O)ccc(C[N@H+](C)CCCN(C)C)c1O ZINC001140742775 936748589 /nfs/dbraw/zinc/74/85/89/936748589.db2.gz YRKKJERJVBZQJG-UHFFFAOYSA-N 1 3 252.358 1.790 20 10 CDCDHO CCN(C(=O)C[C@@H]([NH3+])c1ccccc1[O-])[C@@H]1CCC[NH2+]C1 ZINC001161338357 938892216 /nfs/dbraw/zinc/89/22/16/938892216.db2.gz FDLMORWGBGUEAV-TZMCWYRMSA-N 1 3 291.395 1.383 20 10 CDCDHO [NH3+]CC1(F)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001222538063 941609725 /nfs/dbraw/zinc/60/97/25/941609725.db2.gz KYRKMTCHKZOMHR-UHFFFAOYSA-N 1 3 256.296 1.794 20 10 CDCDHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(N(C)C)cc1 ZINC000268872100 296132124 /nfs/dbraw/zinc/13/21/24/296132124.db2.gz VKPDAWULDYRDIF-PBHICJAKSA-N 1 3 291.439 1.860 20 10 CDCDHO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)[NH3+])N(C)C)cc1 ZINC000906639384 627352983 /nfs/dbraw/zinc/35/29/83/627352983.db2.gz IJCDEWNWTXVGHP-AWEZNQCLSA-N 1 3 292.427 1.209 20 10 CDCDHO C[C@H]([NH3+])CN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000863651334 843626880 /nfs/dbraw/zinc/62/68/80/843626880.db2.gz GWAWSCJJMULOMA-AWEZNQCLSA-N 1 3 276.428 1.217 20 10 CDCDHO COc1cc(O)c(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000776222587 844877821 /nfs/dbraw/zinc/87/78/21/844877821.db2.gz GCCHQJDSNPIZTF-YPMHNXCESA-N 1 3 294.395 1.982 20 10 CDCDHO COc1cc(O)c(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000776222587 844877824 /nfs/dbraw/zinc/87/78/24/844877824.db2.gz GCCHQJDSNPIZTF-YPMHNXCESA-N 1 3 294.395 1.982 20 10 CDCDHO CC[C@H]1CN(Cc2cc(OC)ccc2O)CC[C@H]1[NH3+] ZINC000251879145 845860658 /nfs/dbraw/zinc/86/06/58/845860658.db2.gz VBMWMOFDSJSMRZ-SMDDNHRTSA-N 1 3 264.369 1.960 20 10 CDCDHO COc1cccc([O-])c1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000843052897 846016649 /nfs/dbraw/zinc/01/66/49/846016649.db2.gz OHVWSEZEMLZPIG-LLVKDONJSA-N 1 3 264.369 1.960 20 10 CDCDHO COc1cc(CN2CCC[C@](C)([NH3+])CC2)c(O)cc1O ZINC001205281275 918661088 /nfs/dbraw/zinc/66/10/88/918661088.db2.gz RJAKJKRZKBQIGW-HNNXBMFYSA-N 1 3 280.368 1.810 20 10 CDCDHO Cc1cccc(O)c1CN1CCN(CCC[NH+](C)C)CC1 ZINC001237486809 944813171 /nfs/dbraw/zinc/81/31/71/944813171.db2.gz CLDHYMDMQXCMLI-UHFFFAOYSA-N 1 3 291.439 1.770 20 10 CDCDHO [O-]c1ccccc1C[NH+]1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC001246360941 948132572 /nfs/dbraw/zinc/13/25/72/948132572.db2.gz VUEHODPLFVBUBR-MRXNPFEDSA-N 1 3 289.423 1.698 20 10 CDCDHO C[NH+]1CCC(O)(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000272362068 363817044 /nfs/dbraw/zinc/81/70/44/363817044.db2.gz FOZHLOTXWHEZRO-UHFFFAOYSA-N 1 3 268.332 1.078 20 10 CDCDHO COc1cc(O)c(CN[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000776222584 705074508 /nfs/dbraw/zinc/07/45/08/705074508.db2.gz GCCHQJDSNPIZTF-DGCLKSJQSA-N 1 3 294.395 1.982 20 10 CDCDHO COc1cc(O)c(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000776222584 705074514 /nfs/dbraw/zinc/07/45/14/705074514.db2.gz GCCHQJDSNPIZTF-DGCLKSJQSA-N 1 3 294.395 1.982 20 10 CDCDHO C[C@H](NCc1cc2c(cc1O)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000841032744 848158760 /nfs/dbraw/zinc/15/87/60/848158760.db2.gz GDEYTIDEZNGSMW-WDEREUQCSA-N 1 3 278.352 1.599 20 10 CDCDHO CCOc1cccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1[O-] ZINC001205210095 918934278 /nfs/dbraw/zinc/93/42/78/918934278.db2.gz MNNOMKMRJJQSGB-MRXNPFEDSA-N 1 3 294.395 1.467 20 10 CDCDHO CCOc1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1[O-] ZINC001205210095 918934284 /nfs/dbraw/zinc/93/42/84/918934284.db2.gz MNNOMKMRJJQSGB-MRXNPFEDSA-N 1 3 294.395 1.467 20 10 CDCDHO COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c([O-])c1 ZINC000380737104 943876505 /nfs/dbraw/zinc/87/65/05/943876505.db2.gz LLYYXYYXCWEELP-OCCSQVGLSA-N 1 3 276.380 1.784 20 10 CDCDHO COc1ccc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c([O-])c1 ZINC000380737104 943876513 /nfs/dbraw/zinc/87/65/13/943876513.db2.gz LLYYXYYXCWEELP-OCCSQVGLSA-N 1 3 276.380 1.784 20 10 CDCDHO COc1ccc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c([O-])c1 ZINC000380737104 943876523 /nfs/dbraw/zinc/87/65/23/943876523.db2.gz LLYYXYYXCWEELP-OCCSQVGLSA-N 1 3 276.380 1.784 20 10 CDCDHO COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c([O-])c1 ZINC000380737104 943876531 /nfs/dbraw/zinc/87/65/31/943876531.db2.gz LLYYXYYXCWEELP-OCCSQVGLSA-N 1 3 276.380 1.784 20 10 CDCDHO C[C@H](CC[NH3+])NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001348515020 966034601 /nfs/dbraw/zinc/03/46/01/966034601.db2.gz IMFHQSGFBQMGOS-CYBMUJFWSA-N 1 3 294.418 1.404 20 10 CDCDHO COc1cc(C)c(C[N@@H+]2CC[C@H](CC[NH3+])C2)c([O-])c1 ZINC001579145342 1172105612 /nfs/dbraw/zinc/10/56/12/1172105612.db2.gz YGDBUZCXWYNRFK-LBPRGKRZSA-N 1 3 264.369 1.880 20 10 CDCDHO COc1cc(C)c(C[N@H+]2CC[C@H](CC[NH3+])C2)c([O-])c1 ZINC001579145342 1172105616 /nfs/dbraw/zinc/10/56/16/1172105616.db2.gz YGDBUZCXWYNRFK-LBPRGKRZSA-N 1 3 264.369 1.880 20 10 CDCDHO CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c([O-])c1 ZINC000873216051 705729144 /nfs/dbraw/zinc/72/91/44/705729144.db2.gz JOYKTNQHUODAKB-WCQYABFASA-N 1 3 264.369 1.818 20 10 CDCDHO CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c([O-])c1 ZINC000873216051 705729149 /nfs/dbraw/zinc/72/91/49/705729149.db2.gz JOYKTNQHUODAKB-WCQYABFASA-N 1 3 264.369 1.818 20 10 CDCDHO C[C@H]([NH3+])[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843057011 706247742 /nfs/dbraw/zinc/24/77/42/706247742.db2.gz FERAKTLXGSZXRH-UWVGGRQHSA-N 1 3 264.325 1.290 20 10 CDCDHO CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1[O-] ZINC000817944517 710367443 /nfs/dbraw/zinc/36/74/43/710367443.db2.gz FMGVNNHBIJSDCU-AWEZNQCLSA-N 1 3 263.385 1.338 20 10 CDCDHO COc1ccc(O)c([C@@H](C)N[C@@H](C[NH3+])C2CC2)c1 ZINC000817960401 710735318 /nfs/dbraw/zinc/73/53/18/710735318.db2.gz MUSNBVPGYOBWCC-RNCFNFMXSA-N 1 3 250.342 1.789 20 10 CDCDHO COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843112644 711714441 /nfs/dbraw/zinc/71/44/41/711714441.db2.gz JYXWZHDBZHUKPM-LBPRGKRZSA-N 1 3 264.369 1.962 20 10 CDCDHO COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843112644 711714443 /nfs/dbraw/zinc/71/44/43/711714443.db2.gz JYXWZHDBZHUKPM-LBPRGKRZSA-N 1 3 264.369 1.962 20 10 CDCDHO CCN1C[C@@H]2C[N@@H+](Cc3cccc(OC)c3O)C[C@@H]2C1 ZINC001203601975 919332852 /nfs/dbraw/zinc/33/28/52/919332852.db2.gz UNIXSSJHPIZFEJ-OKILXGFUSA-N 1 3 276.380 1.784 20 10 CDCDHO CCN1C[C@@H]2C[N@H+](Cc3cccc(OC)c3O)C[C@@H]2C1 ZINC001203601975 919332870 /nfs/dbraw/zinc/33/28/70/919332870.db2.gz UNIXSSJHPIZFEJ-OKILXGFUSA-N 1 3 276.380 1.784 20 10 CDCDHO CCc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205247542 919401982 /nfs/dbraw/zinc/40/19/82/919401982.db2.gz IOTPGTVFFQMGTE-INIZCTEOSA-N 1 3 278.396 1.630 20 10 CDCDHO CCc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205247542 919401993 /nfs/dbraw/zinc/40/19/93/919401993.db2.gz IOTPGTVFFQMGTE-INIZCTEOSA-N 1 3 278.396 1.630 20 10 CDCDHO CC(C)(C)c1ccc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206480666 940047229 /nfs/dbraw/zinc/04/72/29/940047229.db2.gz HSRHMXLJYXULEV-SWLSCSKDSA-N 1 3 278.396 1.441 20 10 CDCDHO [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321126 944469269 /nfs/dbraw/zinc/46/92/69/944469269.db2.gz XGNVXRFXFFYXES-TXEJJXNPSA-N 1 3 264.344 1.963 20 10 CDCDHO [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321126 944469274 /nfs/dbraw/zinc/46/92/74/944469274.db2.gz XGNVXRFXFFYXES-TXEJJXNPSA-N 1 3 264.344 1.963 20 10 CDCDHO Cc1cccc(O)c1CN1CCN(CC[NH+](C)C)CC1 ZINC001237483714 944812308 /nfs/dbraw/zinc/81/23/08/944812308.db2.gz RJXDGBYEOSLSQL-UHFFFAOYSA-N 1 3 277.412 1.380 20 10 CDCDHO CN1CC[C@@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001255422556 947868986 /nfs/dbraw/zinc/86/89/86/947868986.db2.gz ZGCIXBGIKBIUGN-MRXNPFEDSA-N 1 3 289.423 1.650 20 10 CDCDHO COc1cc(O)c(CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000843057186 618691169 /nfs/dbraw/zinc/69/11/69/618691169.db2.gz GMMRDZCNQKGAGY-GHMZBOCLSA-N 1 3 280.368 1.579 20 10 CDCDHO CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(C)cc1[O-] ZINC000817945015 712689218 /nfs/dbraw/zinc/68/92/18/712689218.db2.gz RIBORXGFLZUYNJ-OAHLLOKOSA-N 1 3 277.412 1.647 20 10 CDCDHO [NH3+]CCN(CC[NH3+])Cc1ccc2ccccc2c1[O-] ZINC001235876887 914336676 /nfs/dbraw/zinc/33/66/76/914336676.db2.gz FOMMVHRXXQLTRG-UHFFFAOYSA-N 1 3 259.353 1.265 20 10 CDCDHO [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC001205209025 918905514 /nfs/dbraw/zinc/90/55/14/918905514.db2.gz HRDAQDJZLXFMEO-AWEZNQCLSA-N 1 3 250.342 1.068 20 10 CDCDHO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC001205209025 918905532 /nfs/dbraw/zinc/90/55/32/918905532.db2.gz HRDAQDJZLXFMEO-AWEZNQCLSA-N 1 3 250.342 1.068 20 10 CDCDHO [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001205545513 922302163 /nfs/dbraw/zinc/30/21/63/922302163.db2.gz INQDVWIVTGTNGV-AWEZNQCLSA-N 1 3 268.332 1.751 20 10 CDCDHO [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001205545513 922302172 /nfs/dbraw/zinc/30/21/72/922302172.db2.gz INQDVWIVTGTNGV-AWEZNQCLSA-N 1 3 268.332 1.751 20 10 CDCDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230370 928173076 /nfs/dbraw/zinc/17/30/76/928173076.db2.gz NYGQKAKHVDGFQE-UONOGXRCSA-N 1 3 291.439 1.863 20 10 CDCDHO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@](O)(CN)C2)c1 ZINC001205682747 939917695 /nfs/dbraw/zinc/91/76/95/939917695.db2.gz UFAYWWXMUYEYRN-OAHLLOKOSA-N 1 3 264.369 1.376 20 10 CDCDHO Cc1ccc(O)c(C[N@H+]2CCCC[C@@](O)(CN)C2)c1 ZINC001205682747 939917697 /nfs/dbraw/zinc/91/76/97/939917697.db2.gz UFAYWWXMUYEYRN-OAHLLOKOSA-N 1 3 264.369 1.376 20 10 CDCDHO CN1CCOc2cc(C[N@@H+]3CC[C@@H](N)[C@H](F)CC3)ccc21 ZINC001206175213 939990847 /nfs/dbraw/zinc/99/08/47/939990847.db2.gz SJMKLRXWCUKXKS-ZIAGYGMSSA-N 1 3 293.386 1.776 20 10 CDCDHO CN1CCOc2cc(C[N@H+]3CC[C@@H](N)[C@H](F)CC3)ccc21 ZINC001206175213 939990849 /nfs/dbraw/zinc/99/08/49/939990849.db2.gz SJMKLRXWCUKXKS-ZIAGYGMSSA-N 1 3 293.386 1.776 20 10 CDCDHO F[C@H]1CNCC[C@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218070473 941038107 /nfs/dbraw/zinc/03/81/07/941038107.db2.gz MTRQOYVQDSWUNQ-LSDHHAIUSA-N 1 3 279.359 1.175 20 10 CDCDHO COc1cc(O)c(CN2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000843057190 618691367 /nfs/dbraw/zinc/69/13/67/618691367.db2.gz GMMRDZCNQKGAGY-QWRGUYRKSA-N 1 3 280.368 1.579 20 10 CDCDHO C[C@@H](NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)C1C[NH2+]C1 ZINC000902517035 624915892 /nfs/dbraw/zinc/91/58/92/624915892.db2.gz JELWTGSLWGVKGK-DYVFJYSZSA-N 1 3 290.455 1.553 20 10 CDCDHO COc1cc(O)c(CNC[C@H]2CCC[NH2+]C2)cc1OC ZINC000841032626 936972178 /nfs/dbraw/zinc/97/21/78/936972178.db2.gz IFMQAPRJQDCMCY-NSHDSACASA-N 1 3 280.368 1.499 20 10 CDCDHO COc1cccc([O-])c1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000841085321 936975543 /nfs/dbraw/zinc/97/55/43/936975543.db2.gz ZHVSJUFVFZOOCH-MNOVXSKESA-N 1 3 250.342 1.618 20 10 CDCDHO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000841845623 937017733 /nfs/dbraw/zinc/01/77/33/937017733.db2.gz BBLFAXRIRAQYKK-ZIAGYGMSSA-N 1 3 292.427 1.242 20 10 CDCDHO CN1CCN(c2ccc(CN3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000843043801 937105743 /nfs/dbraw/zinc/10/57/43/937105743.db2.gz IAKSVQVMCJKYNI-INIZCTEOSA-N 1 3 288.439 1.362 20 10 CDCDHO CCN(CC)C[C@@H](O)C[N@H+](CC)Cc1ccccc1O ZINC001253192940 929926582 /nfs/dbraw/zinc/92/65/82/929926582.db2.gz CCUBEZAYNRBHQW-OAHLLOKOSA-N 1 3 280.412 1.917 20 10 CDCDHO CCN(CC)C[C@@H](O)C[N@@H+](CC)Cc1ccccc1O ZINC001253192940 929926583 /nfs/dbraw/zinc/92/65/83/929926583.db2.gz CCUBEZAYNRBHQW-OAHLLOKOSA-N 1 3 280.412 1.917 20 10 CDCDHO COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)c(O)c1 ZINC001203634643 939698960 /nfs/dbraw/zinc/69/89/60/939698960.db2.gz PBLSJCKHXLMDQW-CZUORRHYSA-N 1 3 276.380 1.784 20 10 CDCDHO COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)c(O)c1 ZINC001203634643 939698961 /nfs/dbraw/zinc/69/89/61/939698961.db2.gz PBLSJCKHXLMDQW-CZUORRHYSA-N 1 3 276.380 1.784 20 10 CDCDHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2[O-])C1 ZINC001219651235 941370604 /nfs/dbraw/zinc/37/06/04/941370604.db2.gz URXVWNIABQNWSF-OUCADQQQSA-N 1 3 291.395 1.144 20 10 CDCDHO COc1cc(C[NH+]2CCC3(CN(C)C3)CC2)c(O)cc1O ZINC001231638424 942951574 /nfs/dbraw/zinc/95/15/74/942951574.db2.gz AUFLBAVCKSXKQY-UHFFFAOYSA-N 1 3 292.379 1.634 20 10 CDCDHO Nc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC001336117951 960210657 /nfs/dbraw/zinc/21/06/57/960210657.db2.gz RKOGVEKKYXOZIJ-OAHLLOKOSA-N 1 3 289.423 1.859 20 10 CDCDHO C[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001345639065 964768537 /nfs/dbraw/zinc/76/85/37/964768537.db2.gz XNHUIOYRSPTGRA-SWLSCSKDSA-N 1 3 292.427 1.079 20 10 CDCDHO Cc1cc(O)c(C[NH2+]CC2(O)CCN(C)CC2)cc1C ZINC000266140008 345334911 /nfs/dbraw/zinc/33/49/11/345334911.db2.gz GVIKZCYMVWRKGU-UHFFFAOYSA-N 1 3 278.396 1.555 20 10 CDCDHO Cc1cc([O-])c(CN(CC[NH3+])CC[NH3+])cc1Cl ZINC001235877276 944305909 /nfs/dbraw/zinc/30/59/09/944305909.db2.gz IIBMKKUIDSWVSX-UHFFFAOYSA-N 1 3 257.765 1.073 20 10 CDCDHO COc1ccc(C[NH2+]CC[C@H](C)N(C)C)c(O)c1OC ZINC000895427234 619654458 /nfs/dbraw/zinc/65/44/58/619654458.db2.gz CAZNCSIVWQTPFZ-NSHDSACASA-N 1 3 282.384 1.839 20 10 CDCDHO C[C@H](CC[NH3+])NCc1ccc(N2CCOCC2)cc1 ZINC000841051000 621598124 /nfs/dbraw/zinc/59/81/24/621598124.db2.gz MFXVFKYPJQVNEJ-CYBMUJFWSA-N 1 3 263.385 1.350 20 10 CDCDHO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](N)C(C)(C)C)cc1 ZINC000841845622 678026303 /nfs/dbraw/zinc/02/63/03/678026303.db2.gz BBLFAXRIRAQYKK-UONOGXRCSA-N 1 3 292.427 1.242 20 10 CDCDHO COc1cccc([O-])c1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000841056687 678802288 /nfs/dbraw/zinc/80/22/88/678802288.db2.gz IKQFNHMYNVSLLZ-UHFFFAOYSA-N 1 3 264.369 1.880 20 10 CDCDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1ccccc1O ZINC001219923606 941396576 /nfs/dbraw/zinc/39/65/76/941396576.db2.gz TWUZQMGDPAJGER-AWEZNQCLSA-N 1 3 293.411 1.504 20 10 CDCDHO Cc1ccc(O)c([C@H](C)[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000273607922 359005057 /nfs/dbraw/zinc/00/50/57/359005057.db2.gz UUKBFYCZEOCRBO-ZDUSSCGKSA-N 1 3 278.396 1.808 20 10 CDCDHO COc1cccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c1O ZINC000037649333 526019525 /nfs/dbraw/zinc/01/95/25/526019525.db2.gz QMTFHEACRIPGKH-LBPRGKRZSA-N 1 3 276.380 1.975 20 10 CDCDHO COc1ccc(O)c(CN[C@H]2CCC[NH2+]CC2)c1 ZINC000841058834 679707643 /nfs/dbraw/zinc/70/76/43/679707643.db2.gz VYXHWHCVNBVOTN-LBPRGKRZSA-N 1 3 250.342 1.633 20 10 CDCDHO Oc1c(F)cccc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843125179 679813129 /nfs/dbraw/zinc/81/31/29/679813129.db2.gz ZROCDYXNFUVYIZ-CYBMUJFWSA-N 1 3 279.359 1.011 20 10 CDCDHO Cc1cc(N(C)C)ccc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000817893688 679821658 /nfs/dbraw/zinc/82/16/58/679821658.db2.gz GQTJJYCWWIUYKT-IAOVAPTHSA-N 1 3 291.439 1.903 20 10 CDCDHO COc1cc(O)c(C[NH2+]C[C@H](N)C2CC2)cc1OC ZINC000841051808 681693912 /nfs/dbraw/zinc/69/39/12/681693912.db2.gz YXTHZNLWPHKYPV-NSHDSACASA-N 1 3 266.341 1.236 20 10 CDCDHO CCOc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([O-])c1 ZINC000843056916 682028044 /nfs/dbraw/zinc/02/80/44/682028044.db2.gz BUEIKXLDMCAQSZ-RYUDHWBXSA-N 1 3 264.369 1.960 20 10 CDCDHO CCOc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([O-])c1 ZINC000843056916 682028047 /nfs/dbraw/zinc/02/80/47/682028047.db2.gz BUEIKXLDMCAQSZ-RYUDHWBXSA-N 1 3 264.369 1.960 20 10 CDCDHO [NH3+]C[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843046822 682144320 /nfs/dbraw/zinc/14/43/20/682144320.db2.gz BJZJJNSLGJHLRJ-MRXNPFEDSA-N 1 3 289.423 1.694 20 10 CDCDHO Cc1cc(O)c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000843124550 682395004 /nfs/dbraw/zinc/39/50/04/682395004.db2.gz HMQGJEKXNOLCFQ-MRXNPFEDSA-N 1 3 289.423 1.489 20 10 CDCDHO CCOc1ccc(O)c(CN2CC[C@@](C)(C[NH3+])C2)c1 ZINC000843116248 682801788 /nfs/dbraw/zinc/80/17/88/682801788.db2.gz KAZPMHHCGGMJDS-HNNXBMFYSA-N 1 3 264.369 1.962 20 10 CDCDHO CCc1cccc(C[NH2+]C[C@H](O)CN2CCCC2)c1O ZINC000848895778 684101762 /nfs/dbraw/zinc/10/17/62/684101762.db2.gz XPPZAGSANASRFB-HNNXBMFYSA-N 1 3 278.396 1.501 20 10 CDCDHO COc1cccc(CN2CC[C@](C)(C[NH3+])C2)c1O ZINC000310989446 684108745 /nfs/dbraw/zinc/10/87/45/684108745.db2.gz HKNBVBFOEXZBSV-CQSZACIVSA-N 1 3 250.342 1.572 20 10 CDCDHO CCN1C[C@H]2C[NH+](Cc3ccc(O)c(C)c3O)C[C@@H]2C1 ZINC001140749514 936749680 /nfs/dbraw/zinc/74/96/80/936749680.db2.gz CHMPXQPNXABBKZ-KBPBESRZSA-N 1 3 276.380 1.790 20 10 CDCDHO COc1cccc(C[N@H+](C)C2(CN)CCC2)c1O ZINC000385333325 685924362 /nfs/dbraw/zinc/92/43/62/685924362.db2.gz QLOIIAYZGMAMMI-UHFFFAOYSA-N 1 3 250.342 1.714 20 10 CDCDHO COc1cccc(C[N@@H+](C)C2(CN)CCC2)c1O ZINC000385333325 685924364 /nfs/dbraw/zinc/92/43/64/685924364.db2.gz QLOIIAYZGMAMMI-UHFFFAOYSA-N 1 3 250.342 1.714 20 10 CDCDHO C[C@@H]1C[C@@H](C)N(Cc2cc3c(cc2O)OCO3)C[C@H]1C[NH3+] ZINC000817864846 685827268 /nfs/dbraw/zinc/82/72/68/685827268.db2.gz DVDKCQBQSNGVOB-NQBHXWOUSA-N 1 3 292.379 1.926 20 10 CDCDHO C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000817944399 687838785 /nfs/dbraw/zinc/83/87/85/687838785.db2.gz AZAZJPPVJFBEFB-LLVKDONJSA-N 1 3 267.348 1.087 20 10 CDCDHO CN1CCN(c2ccc(CN3CC[C@](C)([NH3+])C3)cc2)CC1 ZINC001204782487 906377631 /nfs/dbraw/zinc/37/76/31/906377631.db2.gz GBKVJXQDYCEAAW-KRWDZBQOSA-N 1 3 288.439 1.362 20 10 CDCDHO COc1cccc(C[N@@H+]2CCCC[C@](O)(CN)C2)c1O ZINC001205664395 939913449 /nfs/dbraw/zinc/91/34/49/939913449.db2.gz NAGNNDDUWUVGMV-HNNXBMFYSA-N 1 3 280.368 1.077 20 10 CDCDHO COc1cccc(C[N@H+]2CCCC[C@](O)(CN)C2)c1O ZINC001205664395 939913451 /nfs/dbraw/zinc/91/34/51/939913451.db2.gz NAGNNDDUWUVGMV-HNNXBMFYSA-N 1 3 280.368 1.077 20 10 CDCDHO C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(F)ccc1[O-] ZINC000273606828 334767981 /nfs/dbraw/zinc/76/79/81/334767981.db2.gz UMKOVPLNSHFPLL-LLVKDONJSA-N 1 3 282.359 1.639 20 10 CDCDHO C[NH+]1CCC(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000044517144 617582142 /nfs/dbraw/zinc/58/21/42/617582142.db2.gz VYWJKCZUNIPUBF-UHFFFAOYSA-N 1 3 278.352 1.552 20 10 CDCDHO COc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c(O)c1OC ZINC000894084534 618347977 /nfs/dbraw/zinc/34/79/77/618347977.db2.gz UOHNRPDPPOOTIK-BETUJISGSA-N 1 3 292.379 1.403 20 10 CDCDHO COc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c(O)c1OC ZINC000894084534 618347986 /nfs/dbraw/zinc/34/79/86/618347986.db2.gz UOHNRPDPPOOTIK-BETUJISGSA-N 1 3 292.379 1.403 20 10 CDCDHO COc1cccc(CNC[C@H]2CCC[NH2+]C2)c1O ZINC000841032616 694003196 /nfs/dbraw/zinc/00/31/96/694003196.db2.gz HXMLYPFLPSTFRI-NSHDSACASA-N 1 3 250.342 1.490 20 10 CDCDHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817962441 694145173 /nfs/dbraw/zinc/14/51/73/694145173.db2.gz MHYMKMWVTWFNDD-CHWSQXEVSA-N 1 3 295.402 1.908 20 10 CDCDHO [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC12CCOCC2 ZINC000843124657 688453889 /nfs/dbraw/zinc/45/38/89/688453889.db2.gz FCCXPZTVCQFPES-CYBMUJFWSA-N 1 3 294.370 1.719 20 10 CDCDHO [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC12CCOCC2 ZINC000843124657 688453893 /nfs/dbraw/zinc/45/38/93/688453893.db2.gz FCCXPZTVCQFPES-CYBMUJFWSA-N 1 3 294.370 1.719 20 10 CDCDHO CCOc1ccc(CN2CCC[C@@H](C[NH3+])C2)c(O)c1 ZINC000843047877 692232988 /nfs/dbraw/zinc/23/29/88/692232988.db2.gz ZSUCTHKZZMTIOS-LBPRGKRZSA-N 1 3 264.369 1.962 20 10 CDCDHO C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(F)ccc1[O-] ZINC000219319546 694827658 /nfs/dbraw/zinc/82/76/58/694827658.db2.gz VXVSJQSHUDNPCF-LLVKDONJSA-N 1 3 270.348 1.760 20 10 CDCDHO CCOc1ccc(CN2CC[C@@H](C[NH3+])C2)c(O)c1 ZINC000843048716 723505293 /nfs/dbraw/zinc/50/52/93/723505293.db2.gz SUOMNICWFMZHJU-NSHDSACASA-N 1 3 250.342 1.572 20 10 CDCDHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)nn1 ZINC001120371230 937796426 /nfs/dbraw/zinc/79/64/26/937796426.db2.gz CJVPZPKMHKLPHR-OAHLLOKOSA-N 1 3 286.383 1.156 20 10 CDCDHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(N)cc3)C2)nn1 ZINC001120371230 937796428 /nfs/dbraw/zinc/79/64/28/937796428.db2.gz CJVPZPKMHKLPHR-OAHLLOKOSA-N 1 3 286.383 1.156 20 10 CDCDHO Cc1cc(C[N@@H+]2CCCC[C@](O)(CN)C2)ccc1N(C)C ZINC001205681761 939917739 /nfs/dbraw/zinc/91/77/39/939917739.db2.gz NMOGEHVLSYASAZ-KRWDZBQOSA-N 1 3 291.439 1.737 20 10 CDCDHO Cc1cc(C[N@H+]2CCCC[C@](O)(CN)C2)ccc1N(C)C ZINC001205681761 939917742 /nfs/dbraw/zinc/91/77/42/939917742.db2.gz NMOGEHVLSYASAZ-KRWDZBQOSA-N 1 3 291.439 1.737 20 10 CDCDHO Cc1cc(CN2CCCC[C@](O)(C[NH3+])C2)ccc1N(C)C ZINC001205681761 939917745 /nfs/dbraw/zinc/91/77/45/939917745.db2.gz NMOGEHVLSYASAZ-KRWDZBQOSA-N 1 3 291.439 1.737 20 10 CDCDHO NC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000849349789 969940054 /nfs/dbraw/zinc/94/00/54/969940054.db2.gz JCQIDSZQGVYGIR-UHFFFAOYSA-N 1 3 289.423 1.884 20 10 CDCDHO [NH3+]CCCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000841018704 695234317 /nfs/dbraw/zinc/23/43/17/695234317.db2.gz OUALEVMZZWEMJP-CQSZACIVSA-N 1 3 264.369 1.722 20 10 CDCDHO CC[C@@H]1CN(Cc2cc(OC)ccc2O)CC[C@H]1[NH3+] ZINC000251879142 695347578 /nfs/dbraw/zinc/34/75/78/695347578.db2.gz VBMWMOFDSJSMRZ-BXUZGUMPSA-N 1 3 264.369 1.960 20 10 CDCDHO COc1cccc(CN[C@@H](C[NH3+])C(C)(C)C)c1O ZINC000841087637 695364650 /nfs/dbraw/zinc/36/46/50/695364650.db2.gz OOKNIZCFLQPIDY-LBPRGKRZSA-N 1 3 252.358 1.864 20 10 CDCDHO COc1cccc(CNCCC[NH2+]C2CC2)c1O ZINC000841091574 724411649 /nfs/dbraw/zinc/41/16/49/724411649.db2.gz APNDHIBONPOODD-UHFFFAOYSA-N 1 3 250.342 1.633 20 10 CDCDHO C[C@]1(CNCc2cc3c(cc2O)OCO3)CCC[NH2+]C1 ZINC000841056879 724168741 /nfs/dbraw/zinc/16/87/41/724168741.db2.gz JMJJPKMGXPKUMK-HNNXBMFYSA-N 1 3 278.352 1.600 20 10 CDCDHO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000840930883 725150438 /nfs/dbraw/zinc/15/04/38/725150438.db2.gz PRIHSQUQQADEIQ-KRWDZBQOSA-N 1 3 291.439 1.607 20 10 CDCDHO C[C@@H]([NH3+])CN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000863651337 725391553 /nfs/dbraw/zinc/39/15/53/725391553.db2.gz GWAWSCJJMULOMA-CQSZACIVSA-N 1 3 276.428 1.217 20 10 CDCDHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1ccc(O)c(O)c1)C2 ZINC001169078766 927707065 /nfs/dbraw/zinc/70/70/65/927707065.db2.gz GGWDXDPXNZGGRH-NFFDBFGFSA-N 1 3 292.379 1.346 20 10 CDCDHO C[C@@H]1C[N@H+](Cc2c([O-])cc(O)cc2O)CCC[C@H]1C[NH3+] ZINC001206012959 939967357 /nfs/dbraw/zinc/96/73/57/939967357.db2.gz OJTXOBQMIAPFKZ-MNOVXSKESA-N 1 3 280.368 1.610 20 10 CDCDHO C[C@@H]1C[N@@H+](Cc2c([O-])cc(O)cc2O)CCC[C@H]1C[NH3+] ZINC001206012959 939967359 /nfs/dbraw/zinc/96/73/59/939967359.db2.gz OJTXOBQMIAPFKZ-MNOVXSKESA-N 1 3 280.368 1.610 20 10 CDCDHO CN1CCOc2cc(C[N@@H+]3CC[C@@H](N)[C@@H](F)CC3)ccc21 ZINC001206175212 939991235 /nfs/dbraw/zinc/99/12/35/939991235.db2.gz SJMKLRXWCUKXKS-UONOGXRCSA-N 1 3 293.386 1.776 20 10 CDCDHO CN1CCOc2cc(C[N@H+]3CC[C@@H](N)[C@@H](F)CC3)ccc21 ZINC001206175212 939991239 /nfs/dbraw/zinc/99/12/39/939991239.db2.gz SJMKLRXWCUKXKS-UONOGXRCSA-N 1 3 293.386 1.776 20 10 CDCDHO COc1cc(O)c(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1OC ZINC000194538973 391361185 /nfs/dbraw/zinc/36/11/85/391361185.db2.gz RATNEPNJTIXJID-BETUJISGSA-N 1 3 292.379 1.403 20 10 CDCDHO COc1cc(O)c(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)cc1OC ZINC000194538973 391361190 /nfs/dbraw/zinc/36/11/90/391361190.db2.gz RATNEPNJTIXJID-BETUJISGSA-N 1 3 292.379 1.403 20 10 CDCDHO CCOc1ccc(O)c(CNC[C@H]2CCC[NH2+]C2)c1 ZINC000841033781 621038658 /nfs/dbraw/zinc/03/86/58/621038658.db2.gz ZJBGSTKCRKHOCM-LBPRGKRZSA-N 1 3 264.369 1.880 20 10 CDCDHO COc1ccc(O)c(CN2CCC[C@@H](C[NH3+])C2)c1 ZINC000044527991 630548967 /nfs/dbraw/zinc/54/89/67/630548967.db2.gz ADERXPHJZXENHQ-NSHDSACASA-N 1 3 250.342 1.572 20 10 CDCDHO [NH3+]CCCN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000841018703 728353203 /nfs/dbraw/zinc/35/32/03/728353203.db2.gz OUALEVMZZWEMJP-AWEZNQCLSA-N 1 3 264.369 1.722 20 10 CDCDHO COc1cc(O)c(CN2CCCC[C@@H](C[NH3+])C2)cc1OC ZINC001206641450 937287865 /nfs/dbraw/zinc/28/78/65/937287865.db2.gz XNHWYJSXRZGXFT-LBPRGKRZSA-N 1 3 294.395 1.970 20 10 CDCDHO COc1cccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1[O-] ZINC001205209479 939835375 /nfs/dbraw/zinc/83/53/75/939835375.db2.gz JUKFEGQWHMYZTO-HNNXBMFYSA-N 1 3 280.368 1.077 20 10 CDCDHO COc1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1[O-] ZINC001205209479 939835377 /nfs/dbraw/zinc/83/53/77/939835377.db2.gz JUKFEGQWHMYZTO-HNNXBMFYSA-N 1 3 280.368 1.077 20 10 CDCDHO Cc1ccc(O)c(C[N@@H+]2CCCC[C@](O)(CN)C2)c1 ZINC001205682746 939917660 /nfs/dbraw/zinc/91/76/60/939917660.db2.gz UFAYWWXMUYEYRN-HNNXBMFYSA-N 1 3 264.369 1.376 20 10 CDCDHO Cc1ccc(O)c(C[N@H+]2CCCC[C@](O)(CN)C2)c1 ZINC001205682746 939917664 /nfs/dbraw/zinc/91/76/64/939917664.db2.gz UFAYWWXMUYEYRN-HNNXBMFYSA-N 1 3 264.369 1.376 20 10 CDCDHO [O-]c1ccccc1C[NH+]1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC001246360940 948132615 /nfs/dbraw/zinc/13/26/15/948132615.db2.gz VUEHODPLFVBUBR-INIZCTEOSA-N 1 3 289.423 1.698 20 10 CDCDHO [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000843125376 729087521 /nfs/dbraw/zinc/08/75/21/729087521.db2.gz UKAHNZBBCZKFSB-ZBFHGGJFSA-N 1 3 276.380 1.720 20 10 CDCDHO CC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC[NH2+]CC1 ZINC000841058362 729669999 /nfs/dbraw/zinc/66/99/99/729669999.db2.gz WFFSJSYZBWBLFH-UHFFFAOYSA-N 1 3 278.352 1.600 20 10 CDCDHO Cc1ccc(C)c(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222502927 941604646 /nfs/dbraw/zinc/60/46/46/941604646.db2.gz WXLVSSRWRJIOHI-HOTGVXAUSA-N 1 3 289.423 1.535 20 10 CDCDHO COc1cc(CN2CC3(C2)CC[NH+](C)CC3)c(O)cc1O ZINC001231639299 942956692 /nfs/dbraw/zinc/95/66/92/942956692.db2.gz OOWYJQIAFVMOQH-UHFFFAOYSA-N 1 3 292.379 1.634 20 10 CDCDHO CC[NH2+]CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001341512517 963445166 /nfs/dbraw/zinc/44/51/66/963445166.db2.gz FSISRCUPIFPEAJ-OAHLLOKOSA-N 1 3 292.427 1.081 20 10 CDCDHO C[C@@H]([NH3+])[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843057010 618691427 /nfs/dbraw/zinc/69/14/27/618691427.db2.gz FERAKTLXGSZXRH-NXEZZACHSA-N 1 3 264.325 1.290 20 10 CDCDHO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)[NH3+])N(C)C)cc1 ZINC000906639386 627352688 /nfs/dbraw/zinc/35/26/88/627352688.db2.gz IJCDEWNWTXVGHP-CQSZACIVSA-N 1 3 292.427 1.209 20 10 CDCDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000817896219 730457748 /nfs/dbraw/zinc/45/77/48/730457748.db2.gz ZPCDGFNZERNXJJ-KGLIPLIRSA-N 1 3 277.412 1.739 20 10 CDCDHO COc1ccc(O)c(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000126904576 730966885 /nfs/dbraw/zinc/96/68/85/730966885.db2.gz SIDALCANVWGRMT-GHMZBOCLSA-N 1 3 250.342 1.570 20 10 CDCDHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000818431448 731325225 /nfs/dbraw/zinc/32/52/25/731325225.db2.gz NDMAJQHCQMPEAN-GHMZBOCLSA-N 1 3 264.325 1.480 20 10 CDCDHO COCC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC[NH2+]CC1 ZINC000817973624 732223595 /nfs/dbraw/zinc/22/35/95/732223595.db2.gz FMYINBWYZVWRFX-CQSZACIVSA-N 1 3 290.407 1.985 20 10 CDCDHO COc1ccc(O)c(CN2CC[C@](C)(C[NH3+])C2)c1 ZINC000386444508 732530252 /nfs/dbraw/zinc/53/02/52/732530252.db2.gz QKSUJMXRWXIXSW-CQSZACIVSA-N 1 3 250.342 1.572 20 10 CDCDHO [NH3+][C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001205102921 913562702 /nfs/dbraw/zinc/56/27/02/913562702.db2.gz WJMYZKPRERZITM-MRXNPFEDSA-N 1 3 289.423 1.836 20 10 CDCDHO [NH3+]CCCOC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000094070178 896474664 /nfs/dbraw/zinc/47/46/64/896474664.db2.gz XGNZQSKAFREECY-UHFFFAOYSA-N 1 3 264.369 1.722 20 10 CDCDHO C[C@H]1CC[N@H+](Cc2c([O-])cc(O)cc2O)CC[C@H]1C[NH3+] ZINC001205626326 939909956 /nfs/dbraw/zinc/90/99/56/939909956.db2.gz FTFORHVQNOWFPB-QWRGUYRKSA-N 1 3 280.368 1.610 20 10 CDCDHO C[C@H]1CC[N@@H+](Cc2c([O-])cc(O)cc2O)CC[C@H]1C[NH3+] ZINC001205626326 939909959 /nfs/dbraw/zinc/90/99/59/939909959.db2.gz FTFORHVQNOWFPB-QWRGUYRKSA-N 1 3 280.368 1.610 20 10 CDCDHO CN(C)c1ccc([C@@H](CNC(=O)CCC[NH3+])N(C)C)cc1 ZINC001341512754 963444150 /nfs/dbraw/zinc/44/41/50/963444150.db2.gz MJPZJEUMJGTASY-OAHLLOKOSA-N 1 3 292.427 1.210 20 10 CDCDHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N(C)C)cc1 ZINC000268872104 278260669 /nfs/dbraw/zinc/26/06/69/278260669.db2.gz VKPDAWULDYRDIF-WMLDXEAASA-N 1 3 291.439 1.860 20 10 CDCDHO COc1ccc(CN[C@H](C)CC[NH+](C)C)c(O)c1OC ZINC000892762481 617710749 /nfs/dbraw/zinc/71/07/49/617710749.db2.gz AJCBEBYHDJMEGL-LLVKDONJSA-N 1 3 282.384 1.839 20 10 CDCDHO CN1CCC(O)(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921768778 633282094 /nfs/dbraw/zinc/28/20/94/633282094.db2.gz BOQSPLHYNINOPQ-UHFFFAOYSA-N 1 3 290.407 1.558 20 10 CDCDHO COc1cc(O)c(C[N@H+](C)CCCN(C)C)cc1OC ZINC000809729389 735875070 /nfs/dbraw/zinc/87/50/70/735875070.db2.gz GKVBDPJAFVJCMY-UHFFFAOYSA-N 1 3 282.384 1.793 20 10 CDCDHO COc1cc(O)c(C[N@@H+](C)CCCN(C)C)cc1OC ZINC000809729389 735875071 /nfs/dbraw/zinc/87/50/71/735875071.db2.gz GKVBDPJAFVJCMY-UHFFFAOYSA-N 1 3 282.384 1.793 20 10 CDCDHO COCC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC[NH2+]CC1 ZINC000817973623 733581476 /nfs/dbraw/zinc/58/14/76/733581476.db2.gz FMYINBWYZVWRFX-AWEZNQCLSA-N 1 3 290.407 1.985 20 10 CDCDHO C[NH+](C)CCCN1CCN(Cc2ccccc2O)CC1 ZINC001203556594 939693379 /nfs/dbraw/zinc/69/33/79/939693379.db2.gz VBOOFYTZBLCSIG-UHFFFAOYSA-N 1 3 277.412 1.462 20 10 CDCDHO COc1cc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)c(O)cc1O ZINC001206190217 939994942 /nfs/dbraw/zinc/99/49/42/939994942.db2.gz ZOGSEQTYJFFMMV-QWRGUYRKSA-N 1 3 284.331 1.368 20 10 CDCDHO COc1cc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c(O)cc1O ZINC001206190217 939994944 /nfs/dbraw/zinc/99/49/44/939994944.db2.gz ZOGSEQTYJFFMMV-QWRGUYRKSA-N 1 3 284.331 1.368 20 10 CDCDHO C[C@@]1(C[NH3+])CCC[N@H+](Cc2c([O-])cc(O)cc2O)CC1 ZINC001206318730 940017248 /nfs/dbraw/zinc/01/72/48/940017248.db2.gz SYJQHYLGUWJWEZ-OAHLLOKOSA-N 1 3 280.368 1.754 20 10 CDCDHO C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c([O-])cc(O)cc2O)CC1 ZINC001206318730 940017251 /nfs/dbraw/zinc/01/72/51/940017251.db2.gz SYJQHYLGUWJWEZ-OAHLLOKOSA-N 1 3 280.368 1.754 20 10 CDCDHO [NH3+]C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1O ZINC001206474873 940045703 /nfs/dbraw/zinc/04/57/03/940045703.db2.gz HGRQUQAZCZZMOU-BLLLJJGKSA-N 1 3 272.348 1.297 20 10 CDCDHO [NH3+]C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1O ZINC001206474873 940045704 /nfs/dbraw/zinc/04/57/04/940045704.db2.gz HGRQUQAZCZZMOU-BLLLJJGKSA-N 1 3 272.348 1.297 20 10 CDCDHO C[C@H](N)C[N@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001236895587 944611652 /nfs/dbraw/zinc/61/16/52/944611652.db2.gz TWAJTAMNMWHCAS-LBPRGKRZSA-N 1 3 289.423 1.870 20 10 CDCDHO C[C@H](N)C[N@@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001236895587 944611656 /nfs/dbraw/zinc/61/16/56/944611656.db2.gz TWAJTAMNMWHCAS-LBPRGKRZSA-N 1 3 289.423 1.870 20 10 CDCDHO CN1CCN(CC[NH2+]Cc2ccccc2O)CC1(C)C ZINC000282431181 367881328 /nfs/dbraw/zinc/88/13/28/367881328.db2.gz RHSMFRMYXGSAQW-UHFFFAOYSA-N 1 3 277.412 1.508 20 10 CDCDHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889997 618482812 /nfs/dbraw/zinc/48/28/12/618482812.db2.gz VXPHQMWPHMWNCM-LSDHHAIUSA-N 1 3 293.386 1.632 20 10 CDCDHO COc1ccc(O)c(CN2CCC[C@H](C[NH3+])C2)c1 ZINC000044527990 630549340 /nfs/dbraw/zinc/54/93/40/630549340.db2.gz ADERXPHJZXENHQ-LLVKDONJSA-N 1 3 250.342 1.572 20 10 CDCDHO C[C@H]([NH2+]C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)c1ccccc1[O-] ZINC001579485819 1172195882 /nfs/dbraw/zinc/19/58/82/1172195882.db2.gz RPRQEQMYFBZSBV-HEHGZKQESA-N 1 3 276.380 1.811 20 10 CDCDHO Cc1cccc(CN2CCN(CC[NH+](C)C)CC2)c1O ZINC000166373661 1181091822 /nfs/dbraw/zinc/09/18/22/1181091822.db2.gz RVISFQCLHZAJCW-UHFFFAOYSA-N 1 3 277.412 1.380 20 10 CDCDHO COc1cccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c1O ZINC000163439627 737848928 /nfs/dbraw/zinc/84/89/28/737848928.db2.gz YVMHBBXRFPNAQF-AAEUAGOBSA-N 1 3 264.369 1.818 20 10 CDCDHO COC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000817943286 738888373 /nfs/dbraw/zinc/88/83/73/738888373.db2.gz UAAQAAAWMZCITK-CVEARBPZSA-N 1 3 277.412 1.767 20 10 CDCDHO C[C@@H]1C[C@H](NCc2cc3c(cc2O)OCO3)CC[N@@H+]1C ZINC000090720542 737008318 /nfs/dbraw/zinc/00/83/18/737008318.db2.gz LLOXYNQZLBDAQZ-ZYHUDNBSSA-N 1 3 278.352 1.693 20 10 CDCDHO C[C@@H]1C[C@H](NCc2cc3c(cc2O)OCO3)CC[N@H+]1C ZINC000090720542 737008324 /nfs/dbraw/zinc/00/83/24/737008324.db2.gz LLOXYNQZLBDAQZ-ZYHUDNBSSA-N 1 3 278.352 1.693 20 10 CDCDHO C[C@@H]1C[N@H+](Cc2c([O-])cc(O)cc2O)CCC[C@@H]1C[NH3+] ZINC001206012952 939967702 /nfs/dbraw/zinc/96/77/02/939967702.db2.gz OJTXOBQMIAPFKZ-GHMZBOCLSA-N 1 3 280.368 1.610 20 10 CDCDHO C[C@@H]1C[N@@H+](Cc2c([O-])cc(O)cc2O)CCC[C@@H]1C[NH3+] ZINC001206012952 939967704 /nfs/dbraw/zinc/96/77/04/939967704.db2.gz OJTXOBQMIAPFKZ-GHMZBOCLSA-N 1 3 280.368 1.610 20 10 CDCDHO Cc1cc(F)cc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c1O ZINC001238066031 945048163 /nfs/dbraw/zinc/04/81/63/945048163.db2.gz DEYOVXDCKZRDQE-BETUJISGSA-N 1 3 264.344 1.833 20 10 CDCDHO Cc1cc(F)cc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c1O ZINC001238066031 945048176 /nfs/dbraw/zinc/04/81/76/945048176.db2.gz DEYOVXDCKZRDQE-BETUJISGSA-N 1 3 264.344 1.833 20 10 CDCDHO C[C@@H](C[NH3+])CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325272747 953810014 /nfs/dbraw/zinc/81/00/14/953810014.db2.gz MUQSSWIAPIMJPD-ZDUSSCGKSA-N 1 3 294.418 1.262 20 10 CDCDHO COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843059007 618692706 /nfs/dbraw/zinc/69/27/06/618692706.db2.gz BZOKWDWYVDYOCO-SGMGOOAPSA-N 1 3 276.380 1.960 20 10 CDCDHO COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843059007 618692707 /nfs/dbraw/zinc/69/27/07/618692707.db2.gz BZOKWDWYVDYOCO-SGMGOOAPSA-N 1 3 276.380 1.960 20 10 CDCDHO COc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@@H](N)C3(C)C)C2)cc1 ZINC001579224732 1172120151 /nfs/dbraw/zinc/12/01/51/1172120151.db2.gz UPMGBNUUPTURHB-MAZHCROVSA-N 1 3 289.423 1.989 20 10 CDCDHO [NH3+]C[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843048724 741866911 /nfs/dbraw/zinc/86/69/11/741866911.db2.gz UFBPKFQYOZBAFL-HNNXBMFYSA-N 1 3 275.396 1.304 20 10 CDCDHO C[NH2+]CC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000843049872 739575747 /nfs/dbraw/zinc/57/57/47/739575747.db2.gz VQOYUTUIBJNFIS-UHFFFAOYSA-N 1 3 264.369 1.832 20 10 CDCDHO COc1cccc(CN2CC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000126852211 740543832 /nfs/dbraw/zinc/54/38/32/740543832.db2.gz RVPXCGSBIIYMAA-QWRGUYRKSA-N 1 3 250.342 1.570 20 10 CDCDHO C[C@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2)c2c1c(F)ccc2[O-] ZINC000817945083 741172552 /nfs/dbraw/zinc/17/25/52/741172552.db2.gz TYYSZWRSRRPHBU-WCQYABFASA-N 1 3 293.386 1.574 20 10 CDCDHO COc1cccc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)c1O ZINC000841033449 742148259 /nfs/dbraw/zinc/14/82/59/742148259.db2.gz NXQSJRFEKCIZPJ-NWDGAFQWSA-N 1 3 264.369 1.879 20 10 CDCDHO COc1cccc(CN2CCC[C@H]([NH3+])CC2)c1O ZINC001205095021 913392260 /nfs/dbraw/zinc/39/22/60/913392260.db2.gz SVDAGETVDUQGSL-LBPRGKRZSA-N 1 3 250.342 1.714 20 10 CDCDHO CN(C)c1ccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)c(O)c1 ZINC001205687966 924474536 /nfs/dbraw/zinc/47/45/36/924474536.db2.gz CCAHGTJQBMZERK-MRXNPFEDSA-N 1 3 293.411 1.134 20 10 CDCDHO CN(C)c1ccc(C[N@H+]2CCCC[C@@](O)(CN)C2)c(O)c1 ZINC001205687966 924474542 /nfs/dbraw/zinc/47/45/42/924474542.db2.gz CCAHGTJQBMZERK-MRXNPFEDSA-N 1 3 293.411 1.134 20 10 CDCDHO COc1cc(CN2CCC[C@](F)(C[NH3+])CC2)cc(O)c1O ZINC001205546650 939900639 /nfs/dbraw/zinc/90/06/39/939900639.db2.gz XSIWRUDEFSNDTB-OAHLLOKOSA-N 1 3 298.358 1.759 20 10 CDCDHO Cc1c(CN2C[C@H](O)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001206518965 940053195 /nfs/dbraw/zinc/05/31/95/940053195.db2.gz GQTJIRPYRVKDAA-LRDDRELGSA-N 1 3 273.380 1.238 20 10 CDCDHO F[C@@H]1CNCC[C@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218070471 941038216 /nfs/dbraw/zinc/03/82/16/941038216.db2.gz MTRQOYVQDSWUNQ-HUUCEWRRSA-N 1 3 279.359 1.175 20 10 CDCDHO [NH3+]CC1(F)CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001222531519 941608447 /nfs/dbraw/zinc/60/84/47/941608447.db2.gz CAUGLVLBHVJNJV-UHFFFAOYSA-N 1 3 254.305 1.361 20 10 CDCDHO CCN(CC)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC001253208401 951804635 /nfs/dbraw/zinc/80/46/35/951804635.db2.gz PIBAGWGMDOJUQF-OLZOCXBDSA-N 1 3 266.385 1.746 20 10 CDCDHO C[C@H]([NH2+]C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)c1ccccc1[O-] ZINC001579485821 1172196939 /nfs/dbraw/zinc/19/69/39/1172196939.db2.gz RPRQEQMYFBZSBV-XEZPLFJOSA-N 1 3 276.380 1.811 20 10 CDCDHO COc1ccc(O)c(CN[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000841072411 618681834 /nfs/dbraw/zinc/68/18/34/618681834.db2.gz JPSIKWFGKXXBBU-AWEZNQCLSA-N 1 3 264.369 1.879 20 10 CDCDHO COc1cccc(O)c1CN1CCC[C@@H](C[NH3+])C1 ZINC000843047837 745679296 /nfs/dbraw/zinc/67/92/96/745679296.db2.gz YKGUQWSBTKCUKZ-NSHDSACASA-N 1 3 250.342 1.572 20 10 CDCDHO CC(C)[C@H](N)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841029927 746208356 /nfs/dbraw/zinc/20/83/56/746208356.db2.gz OYEUJFUADWZJBY-MRXNPFEDSA-N 1 3 277.412 1.596 20 10 CDCDHO CC[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N(C)C ZINC000863584489 746894909 /nfs/dbraw/zinc/89/49/09/746894909.db2.gz DPXSNVZSQDHZNO-CABCVRRESA-N 1 3 292.427 1.209 20 10 CDCDHO CN1CCN(c2ccc(CNC3CC([NH3+])C3)cc2F)CC1 ZINC001120283141 937791127 /nfs/dbraw/zinc/79/11/27/937791127.db2.gz OSHKGTMWIFIJCO-UHFFFAOYSA-N 1 3 292.402 1.157 20 10 CDCDHO CN(C)c1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420669 626294659 /nfs/dbraw/zinc/29/46/59/626294659.db2.gz DGBKAKAKGXWJSG-LSDHHAIUSA-N 1 3 259.397 1.794 20 10 CDCDHO COc1cccc(CNC[C@@H]2CCC[NH2+]C2)c1O ZINC000841032615 752320540 /nfs/dbraw/zinc/32/05/40/752320540.db2.gz HXMLYPFLPSTFRI-LLVKDONJSA-N 1 3 250.342 1.490 20 10 CDCDHO CCOc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)c([O-])c1 ZINC000841028832 753383069 /nfs/dbraw/zinc/38/30/69/753383069.db2.gz IJKJGDQKNJEZFC-UHFFFAOYSA-N 1 3 293.411 1.176 20 10 CDCDHO COc1cc(CN(C)[C@@H]2CCOC2)cc(C[NH+](C)C)c1O ZINC001139257141 936611972 /nfs/dbraw/zinc/61/19/72/936611972.db2.gz SQQOBWCFYCKTFH-CQSZACIVSA-N 1 3 294.395 1.683 20 10 CDCDHO Cc1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)c([O-])c1 ZINC000817937342 930636437 /nfs/dbraw/zinc/63/64/37/930636437.db2.gz WTBIVKKVGXZGJQ-AWEZNQCLSA-N 1 3 277.412 1.647 20 10 CDCDHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccccc1O ZINC001203556647 939693582 /nfs/dbraw/zinc/69/35/82/939693582.db2.gz SKJWLRUZHWNTSA-UHFFFAOYSA-N 1 3 294.395 1.709 20 10 CDCDHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccccc1O ZINC001203556647 939693583 /nfs/dbraw/zinc/69/35/83/939693583.db2.gz SKJWLRUZHWNTSA-UHFFFAOYSA-N 1 3 294.395 1.709 20 10 CDCDHO [NH3+]C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1O ZINC001206525125 940054433 /nfs/dbraw/zinc/05/44/33/940054433.db2.gz HGRQUQAZCZZMOU-LRDDRELGSA-N 1 3 272.348 1.297 20 10 CDCDHO [NH3+]C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1O ZINC001206525125 940054438 /nfs/dbraw/zinc/05/44/38/940054438.db2.gz HGRQUQAZCZZMOU-LRDDRELGSA-N 1 3 272.348 1.297 20 10 CDCDHO CCN1CCN(c2ccc(O[C@H]3CC[NH2+]C3)cc2)CC1 ZINC001218180699 941042487 /nfs/dbraw/zinc/04/24/87/941042487.db2.gz BCSGZMISVRROHF-INIZCTEOSA-N 1 3 275.396 1.569 20 10 CDCDHO COc1cc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c(O)cc1O ZINC001231637869 942954684 /nfs/dbraw/zinc/95/46/84/942954684.db2.gz TVECLNCTYHVAFS-TXEJJXNPSA-N 1 3 278.352 1.100 20 10 CDCDHO COc1cc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c(O)cc1O ZINC001231637869 942954691 /nfs/dbraw/zinc/95/46/91/942954691.db2.gz TVECLNCTYHVAFS-TXEJJXNPSA-N 1 3 278.352 1.100 20 10 CDCDHO C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722734 626063922 /nfs/dbraw/zinc/06/39/22/626063922.db2.gz OGXOMVAPIZCXNK-HNNXBMFYSA-N 1 3 290.407 1.983 20 10 CDCDHO C[N@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722734 626063926 /nfs/dbraw/zinc/06/39/26/626063926.db2.gz OGXOMVAPIZCXNK-HNNXBMFYSA-N 1 3 290.407 1.983 20 10 CDCDHO COc1cccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000126851760 754190689 /nfs/dbraw/zinc/19/06/89/754190689.db2.gz RVPXCGSBIIYMAA-WDEREUQCSA-N 1 3 250.342 1.570 20 10 CDCDHO CC[NH2+]CCNCc1ccc(N2CCN(C)CC2)cc1 ZINC000841035341 755867625 /nfs/dbraw/zinc/86/76/25/755867625.db2.gz FBQNTMAUWTYTJF-UHFFFAOYSA-N 1 3 276.428 1.138 20 10 CDCDHO CCOc1cccc(CN[C@H](C[NH3+])C2CC2)c1O ZINC000841028078 758526255 /nfs/dbraw/zinc/52/62/55/758526255.db2.gz LEQLYLLCJKERJT-GFCCVEGCSA-N 1 3 250.342 1.618 20 10 CDCDHO CCN1C[C@@H]2C[NH+](Cc3cccc(OC)c3O)C[C@H]2C1 ZINC001203601976 919333948 /nfs/dbraw/zinc/33/39/48/919333948.db2.gz UNIXSSJHPIZFEJ-ZIAGYGMSSA-N 1 3 276.380 1.784 20 10 CDCDHO C[NH+]1CCC2(CN(Cc3cc(O)ccc3O)C2)CC1 ZINC001141159276 936822133 /nfs/dbraw/zinc/82/21/33/936822133.db2.gz BYPRRWKOJDNXBK-UHFFFAOYSA-N 1 3 262.353 1.625 20 10 CDCDHO C[C@H]([NH3+])CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122413843 937930288 /nfs/dbraw/zinc/93/02/88/937930288.db2.gz CEKXUZMZYSOZGQ-SWLSCSKDSA-N 1 3 292.427 1.209 20 10 CDCDHO F[C@H]1CNCC[C@@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218070469 941038667 /nfs/dbraw/zinc/03/86/67/941038667.db2.gz MTRQOYVQDSWUNQ-GJZGRUSLSA-N 1 3 279.359 1.175 20 10 CDCDHO Cc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001222095715 941563716 /nfs/dbraw/zinc/56/37/16/941563716.db2.gz YRRWKMHFNOIHPL-UHFFFAOYSA-N 1 3 275.396 1.228 20 10 CDCDHO Cc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c([O-])c1 ZINC001222095715 941563717 /nfs/dbraw/zinc/56/37/17/941563717.db2.gz YRRWKMHFNOIHPL-UHFFFAOYSA-N 1 3 275.396 1.228 20 10 CDCDHO C[C@H](C[NH3+])CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325272745 953809455 /nfs/dbraw/zinc/80/94/55/953809455.db2.gz MUQSSWIAPIMJPD-CYBMUJFWSA-N 1 3 294.418 1.262 20 10 CDCDHO C[C@@H]([NH3+])[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843058709 618692028 /nfs/dbraw/zinc/69/20/28/618692028.db2.gz WVENNANUNGTFAJ-ZBFHGGJFSA-N 1 3 289.423 1.692 20 10 CDCDHO Cc1cccc([O-])c1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000877158362 770840415 /nfs/dbraw/zinc/84/04/15/770840415.db2.gz HXYKLXGXXKUSDK-UHFFFAOYSA-N 1 3 291.439 1.816 20 10 CDCDHO COc1ccc(N2CCN(CCCC[NH3+])CC2)c(C)c1 ZINC001236367973 944484973 /nfs/dbraw/zinc/48/49/73/944484973.db2.gz QTPJLJRNNDHFRY-UHFFFAOYSA-N 1 3 277.412 1.865 20 10 CDCDHO COc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@H](N)C3(C)C)C2)cc1 ZINC001579224733 1172120341 /nfs/dbraw/zinc/12/03/41/1172120341.db2.gz UPMGBNUUPTURHB-RCBQFDQVSA-N 1 3 289.423 1.989 20 10 CDCDHO C[C@H]([NH3+])[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843058707 618691933 /nfs/dbraw/zinc/69/19/33/618691933.db2.gz WVENNANUNGTFAJ-GOEBONIOSA-N 1 3 289.423 1.692 20 10 CDCDHO C[C@@H](CN(C)C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000808423138 775179811 /nfs/dbraw/zinc/17/98/11/775179811.db2.gz KBHOOBMSESGCDV-HNNXBMFYSA-N 1 3 290.455 1.478 20 10 CDCDHO CC(C)N(C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649549 776847541 /nfs/dbraw/zinc/84/75/41/776847541.db2.gz VXCVNRDHCJOLOE-CHWSQXEVSA-N 1 3 266.385 1.744 20 10 CDCDHO CCC[N@H+](CCOCC[NH3+])Cc1ccccc1[O-] ZINC000843358276 777038829 /nfs/dbraw/zinc/03/88/29/777038829.db2.gz KIDYHTBVHUNPLL-UHFFFAOYSA-N 1 3 252.358 1.580 20 10 CDCDHO CCC[N@@H+](CCOCC[NH3+])Cc1ccccc1[O-] ZINC000843358276 777038849 /nfs/dbraw/zinc/03/88/49/777038849.db2.gz KIDYHTBVHUNPLL-UHFFFAOYSA-N 1 3 252.358 1.580 20 10 CDCDHO COc1cccc([O-])c1C[NH+]1CCC(C[NH3+])CC1 ZINC000843046982 778890960 /nfs/dbraw/zinc/89/09/60/778890960.db2.gz CEWTXQYIHRGQJB-UHFFFAOYSA-N 1 3 250.342 1.572 20 10 CDCDHO [O-]c1cccc2c1[C@@H]([NH2+]CCCN1CC[NH2+]CC1)CC2 ZINC000817935587 778951510 /nfs/dbraw/zinc/95/15/10/778951510.db2.gz JFFRRUHZARYGAP-AWEZNQCLSA-N 1 3 275.396 1.264 20 10 CDCDHO CCN(CC)C[C@H](O)C[N@H+](CC)Cc1ccccc1O ZINC001253192939 929926492 /nfs/dbraw/zinc/92/64/92/929926492.db2.gz CCUBEZAYNRBHQW-HNNXBMFYSA-N 1 3 280.412 1.917 20 10 CDCDHO CCN(CC)C[C@H](O)C[N@@H+](CC)Cc1ccccc1O ZINC001253192939 929926494 /nfs/dbraw/zinc/92/64/94/929926494.db2.gz CCUBEZAYNRBHQW-HNNXBMFYSA-N 1 3 280.412 1.917 20 10 CDCDHO COc1cc(C)c(C[NH2+][C@H]2C[C@H](C[NH3+])C2)c([O-])c1 ZINC001579145047 1172105843 /nfs/dbraw/zinc/10/58/43/1172105843.db2.gz SJMYHDBAVCTUJX-XYPYZODXSA-N 1 3 250.342 1.536 20 10 CDCDHO C[NH+](C)CCOC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000770509519 575458196 /nfs/dbraw/zinc/45/81/96/575458196.db2.gz CABHLXCPEOOONR-UHFFFAOYSA-N 1 3 278.396 1.935 20 10 CDCDHO COc1ccc(O)c(C[NH2+]CC2(N)CCCC2)c1 ZINC000849350255 781187470 /nfs/dbraw/zinc/18/74/70/781187470.db2.gz VROFPZCSKBAHIA-UHFFFAOYSA-N 1 3 250.342 1.762 20 10 CDCDHO COc1cccc([O-])c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843126124 919769918 /nfs/dbraw/zinc/76/99/18/919769918.db2.gz GSOICUIXIMTSIG-UHFFFAOYSA-N 1 3 276.380 1.976 20 10 CDCDHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854229929 928173924 /nfs/dbraw/zinc/17/39/24/928173924.db2.gz APYFEZMBFZHFTF-DLBZAZTESA-N 1 3 289.423 1.617 20 10 CDCDHO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2N)cc1F ZINC000817898808 930621998 /nfs/dbraw/zinc/62/19/98/930621998.db2.gz BGOIVNVAAANTTP-QWHCGFSZSA-N 1 3 251.349 1.861 20 10 CDCDHO CC[NH2+]CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001341512516 963444227 /nfs/dbraw/zinc/44/42/27/963444227.db2.gz FSISRCUPIFPEAJ-HNNXBMFYSA-N 1 3 292.427 1.081 20 10 CDCDHO COc1ccc(O)c(C[N@@H+]2CC[C@H](CN(C)C)C2)c1 ZINC000180230477 357253497 /nfs/dbraw/zinc/25/34/97/357253497.db2.gz SRFNLKMIYBKKCC-GFCCVEGCSA-N 1 3 264.369 1.784 20 10 CDCDHO COc1ccc(O)c(C[N@H+]2CC[C@H](CN(C)C)C2)c1 ZINC000180230477 357253501 /nfs/dbraw/zinc/25/35/01/357253501.db2.gz SRFNLKMIYBKKCC-GFCCVEGCSA-N 1 3 264.369 1.784 20 10 CDCDHO Cc1cc(O)c(C[NH2+]C[C@@H]2CNCCCO2)cc1C ZINC000841085545 906917648 /nfs/dbraw/zinc/91/76/48/906917648.db2.gz GROCKBJFIDBACH-AWEZNQCLSA-N 1 3 264.369 1.477 20 10 CDCDHO COc1cccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1[O-] ZINC000070169534 917199153 /nfs/dbraw/zinc/19/91/53/917199153.db2.gz MBHKMQAMCPCLTP-GFCCVEGCSA-N 1 3 264.369 1.962 20 10 CDCDHO COc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1[O-] ZINC000070169534 917199167 /nfs/dbraw/zinc/19/91/67/917199167.db2.gz MBHKMQAMCPCLTP-GFCCVEGCSA-N 1 3 264.369 1.962 20 10 CDCDHO C[C@@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CCN1 ZINC001246250771 948055310 /nfs/dbraw/zinc/05/53/10/948055310.db2.gz YDVVOULQJUOQBR-ZYHUDNBSSA-N 1 3 250.342 1.370 20 10 CDCDHO C[C@@H]1C[C@H](NCCc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246250771 948055319 /nfs/dbraw/zinc/05/53/19/948055319.db2.gz YDVVOULQJUOQBR-ZYHUDNBSSA-N 1 3 250.342 1.370 20 10 CDCDHO CC(C)[C@H](N)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000841028148 787735448 /nfs/dbraw/zinc/73/54/48/787735448.db2.gz BQYJRHTYKGVMMO-SNVBAGLBSA-N 1 3 252.314 1.194 20 10 CDCDHO [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000841080172 789803566 /nfs/dbraw/zinc/80/35/66/789803566.db2.gz QRCJWSFNEUYRKZ-HAQNSBGRSA-N 1 3 292.379 1.976 20 10 CDCDHO COc1cc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)c(O)c(OC)c1 ZINC001206201633 912555305 /nfs/dbraw/zinc/55/53/05/912555305.db2.gz YSDBMLQPDDIYJJ-STQMWFEESA-N 1 3 298.358 1.671 20 10 CDCDHO COc1cc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)c(O)c(OC)c1 ZINC001206201633 912555324 /nfs/dbraw/zinc/55/53/24/912555324.db2.gz YSDBMLQPDDIYJJ-STQMWFEESA-N 1 3 298.358 1.671 20 10 CDCDHO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@]3(N)C2)c(O)c1 ZINC001235992050 914500479 /nfs/dbraw/zinc/50/04/79/914500479.db2.gz PZBUQJRBDMVYHO-WFASDCNBSA-N 1 3 261.369 1.381 20 10 CDCDHO CN(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@]3(N)C2)c(O)c1 ZINC001235992050 914500497 /nfs/dbraw/zinc/50/04/97/914500497.db2.gz PZBUQJRBDMVYHO-WFASDCNBSA-N 1 3 261.369 1.381 20 10 CDCDHO CCOc1cccc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000252789692 935071161 /nfs/dbraw/zinc/07/11/61/935071161.db2.gz RTAFIZSKVRCCAS-NWDGAFQWSA-N 1 3 264.369 1.960 20 10 CDCDHO COC(=O)Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)c([O-])c1 ZINC001205058427 923245623 /nfs/dbraw/zinc/24/56/23/923245623.db2.gz MDEIFJXKLLOXGE-UHFFFAOYSA-N 1 3 292.379 1.278 20 10 CDCDHO [NH3+]C[C@H]1CCCC[N@H+](Cc2c([O-])cc(O)cc2O)C1 ZINC001206633387 940074490 /nfs/dbraw/zinc/07/44/90/940074490.db2.gz XGIRLQDEUTWQRX-SNVBAGLBSA-N 1 3 266.341 1.364 20 10 CDCDHO [NH3+]C[C@H]1CCCC[N@@H+](Cc2c([O-])cc(O)cc2O)C1 ZINC001206633387 940074492 /nfs/dbraw/zinc/07/44/92/940074492.db2.gz XGIRLQDEUTWQRX-SNVBAGLBSA-N 1 3 266.341 1.364 20 10 CDCDHO COc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)c([O-])c1 ZINC001222531982 941609146 /nfs/dbraw/zinc/60/91/46/941609146.db2.gz HXTYGNMBUFSWOW-UHFFFAOYSA-N 1 3 268.332 1.664 20 10 CDCDHO CN(C)c1ccc([C@H](CNC(=O)CCC[NH3+])N(C)C)cc1 ZINC001341512753 963444239 /nfs/dbraw/zinc/44/42/39/963444239.db2.gz MJPZJEUMJGTASY-HNNXBMFYSA-N 1 3 292.427 1.210 20 10 CDCDHO CC[C@@H]1CN(Cc2cccc(OC)c2O)CC[C@@H]1[NH3+] ZINC000122385678 794898420 /nfs/dbraw/zinc/89/84/20/794898420.db2.gz GVYCIIRBVMDGLD-YPMHNXCESA-N 1 3 264.369 1.960 20 10 CDCDHO CN1CCN(c2ccc(CN3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000843043802 796091596 /nfs/dbraw/zinc/09/15/96/796091596.db2.gz IAKSVQVMCJKYNI-MRXNPFEDSA-N 1 3 288.439 1.362 20 10 CDCDHO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC001205209026 918903351 /nfs/dbraw/zinc/90/33/51/918903351.db2.gz HRDAQDJZLXFMEO-CQSZACIVSA-N 1 3 250.342 1.068 20 10 CDCDHO [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC001205209026 918903363 /nfs/dbraw/zinc/90/33/63/918903363.db2.gz HRDAQDJZLXFMEO-CQSZACIVSA-N 1 3 250.342 1.068 20 10 CDCDHO Cc1cccc([O-])c1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104590 941565658 /nfs/dbraw/zinc/56/56/58/941565658.db2.gz IISHNRBLUAOWSA-UHFFFAOYSA-N 1 3 275.396 1.228 20 10 CDCDHO Cc1cccc([O-])c1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104590 941565660 /nfs/dbraw/zinc/56/56/60/941565660.db2.gz IISHNRBLUAOWSA-UHFFFAOYSA-N 1 3 275.396 1.228 20 10 CDCDHO COc1cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(O)cc1O ZINC001231638965 942953724 /nfs/dbraw/zinc/95/37/24/942953724.db2.gz JCYDATAYGDYBAM-MRXNPFEDSA-N 1 3 292.379 1.634 20 10 CDCDHO COc1cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(O)cc1O ZINC001231638965 942953729 /nfs/dbraw/zinc/95/37/29/942953729.db2.gz JCYDATAYGDYBAM-MRXNPFEDSA-N 1 3 292.379 1.634 20 10 CDCDHO CN1CCN(c2ccc(C[NH2+]CC3(N)CC3)cc2F)CC1 ZINC001334754842 959330404 /nfs/dbraw/zinc/33/04/04/959330404.db2.gz SSQNCQPVQCPYCA-UHFFFAOYSA-N 1 3 292.402 1.158 20 10 CDCDHO CCOc1ccc(O)c(CNC[C@@H]2CCC[NH2+]C2)c1 ZINC000841033775 621039013 /nfs/dbraw/zinc/03/90/13/621039013.db2.gz ZJBGSTKCRKHOCM-GFCCVEGCSA-N 1 3 264.369 1.880 20 10 CDCDHO CCOc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c([O-])c1 ZINC000904405436 626282108 /nfs/dbraw/zinc/28/21/08/626282108.db2.gz IKZUUAUVKAEPIV-LBPRGKRZSA-N 1 3 264.369 1.962 20 10 CDCDHO CCOc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c([O-])c1 ZINC000904405436 626282109 /nfs/dbraw/zinc/28/21/09/626282109.db2.gz IKZUUAUVKAEPIV-LBPRGKRZSA-N 1 3 264.369 1.962 20 10 CDCDHO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@@H](N)C3(C)C)C2)cc1 ZINC001579224731 1172119598 /nfs/dbraw/zinc/11/95/98/1172119598.db2.gz UPMGBNUUPTURHB-APHBMKBZSA-N 1 3 289.423 1.989 20 10 CDCDHO C[NH+](C)CCOCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000382181736 796681556 /nfs/dbraw/zinc/68/15/56/796681556.db2.gz UKLDDFSAAJJWNU-ZDUSSCGKSA-N 1 3 264.369 1.547 20 10 CDCDHO Cc1ccc(CN2CCN(CCC[NH+](C)C)CC2)c(O)c1 ZINC001140950864 936783484 /nfs/dbraw/zinc/78/34/84/936783484.db2.gz LXAHJCBLVDCPFF-UHFFFAOYSA-N 1 3 291.439 1.770 20 10 CDCDHO COc1cccc([O-])c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841079322 936974897 /nfs/dbraw/zinc/97/48/97/936974897.db2.gz MAXDHQIGWZLTNX-AWEZNQCLSA-N 1 3 262.353 1.633 20 10 CDCDHO C[C@H]1C[C@H](C[NH3+])CN1Cc1cc2c(cc1O)OCO2 ZINC000843058250 937109813 /nfs/dbraw/zinc/10/98/13/937109813.db2.gz QJKKQLMXPUFACJ-VHSXEESVSA-N 1 3 264.325 1.290 20 10 CDCDHO CCOc1cccc(CNCC[C@@H](C)[NH2+]C)c1O ZINC001118020327 937581399 /nfs/dbraw/zinc/58/13/99/937581399.db2.gz UUZHFRLMIBKMLR-LLVKDONJSA-N 1 3 252.358 1.879 20 10 CDCDHO N[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)CC[C@@H]1F ZINC001206197910 939995840 /nfs/dbraw/zinc/99/58/40/939995840.db2.gz KILYULKKVOOJCZ-VHSXEESVSA-N 1 3 270.304 1.065 20 10 CDCDHO N[C@@H]1CC[N@@H+](Cc2cc(O)c(O)cc2O)CC[C@@H]1F ZINC001206197910 939995844 /nfs/dbraw/zinc/99/58/44/939995844.db2.gz KILYULKKVOOJCZ-VHSXEESVSA-N 1 3 270.304 1.065 20 10 CDCDHO COc1cccc(O)c1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843058454 618691719 /nfs/dbraw/zinc/69/17/19/618691719.db2.gz SMLPCBGVLFIBFW-QWRGUYRKSA-N 1 3 250.342 1.570 20 10 CDCDHO COc1ccc(C[N@H+](C)CCCN(C)C)c(O)c1OC ZINC000894449831 618888212 /nfs/dbraw/zinc/88/82/12/618888212.db2.gz QQFSEDANXCWYTM-UHFFFAOYSA-N 1 3 282.384 1.793 20 10 CDCDHO COc1ccc(C[N@@H+](C)CCCN(C)C)c(O)c1OC ZINC000894449831 618888214 /nfs/dbraw/zinc/88/82/14/618888214.db2.gz QQFSEDANXCWYTM-UHFFFAOYSA-N 1 3 282.384 1.793 20 10 CDCDHO COc1cccc([O-])c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406380 626283138 /nfs/dbraw/zinc/28/31/38/626283138.db2.gz RNGNGRYNPZCZOY-NSHDSACASA-N 1 3 250.342 1.572 20 10 CDCDHO COc1cccc([O-])c1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406380 626283139 /nfs/dbraw/zinc/28/31/39/626283139.db2.gz RNGNGRYNPZCZOY-NSHDSACASA-N 1 3 250.342 1.572 20 10 CDCDHO C[NH2+]CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000220106068 811802225 /nfs/dbraw/zinc/80/22/25/811802225.db2.gz JFDVOTDVZXGUEN-UHFFFAOYSA-N 1 3 252.333 1.963 20 10 CDCDHO CN1CCN(c2ccc(CN3CCC[NH2+]CC3)cc2)CC1 ZINC000843044858 811817427 /nfs/dbraw/zinc/81/74/27/811817427.db2.gz LLXUFVFZEFZWNE-UHFFFAOYSA-N 1 3 288.439 1.234 20 10 CDCDHO C[C@H](C[NH3+])CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000841048693 812816360 /nfs/dbraw/zinc/81/63/60/812816360.db2.gz KZKZRFFRAPPJOT-GFCCVEGCSA-N 1 3 281.375 1.347 20 10 CDCDHO COc1ccc(O)c(CN2CCC[C@H]([NH3+])CC2)c1 ZINC001205095173 913398482 /nfs/dbraw/zinc/39/84/82/913398482.db2.gz UWZSZKPXSAIFGN-LBPRGKRZSA-N 1 3 250.342 1.714 20 10 CDCDHO [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000312241573 899686101 /nfs/dbraw/zinc/68/61/01/899686101.db2.gz KDNDQGOYCOSGRP-AWEZNQCLSA-N 1 3 279.359 1.011 20 10 CDCDHO [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000312241573 899686113 /nfs/dbraw/zinc/68/61/13/899686113.db2.gz KDNDQGOYCOSGRP-AWEZNQCLSA-N 1 3 279.359 1.011 20 10 CDCDHO Cc1ccc(O)c(CN2CC3(CN(CC[NH+](C)C)C3)C2)c1 ZINC001275315127 931732423 /nfs/dbraw/zinc/73/24/23/931732423.db2.gz PXCOINRDRHWTRZ-UHFFFAOYSA-N 1 3 289.423 1.380 20 10 CDCDHO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000272425787 365231788 /nfs/dbraw/zinc/23/17/88/365231788.db2.gz MQAUFWPZOZFNDB-UHFFFAOYSA-N 1 3 296.386 1.856 20 10 CDCDHO CN1CCN(c2ccc(CN[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841043089 618677933 /nfs/dbraw/zinc/67/79/33/618677933.db2.gz OWIUUHOLVCEVRB-MRXNPFEDSA-N 1 3 288.439 1.280 20 10 CDCDHO COc1ccc(O)c(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000126905061 820365265 /nfs/dbraw/zinc/36/52/65/820365265.db2.gz SIDALCANVWGRMT-MNOVXSKESA-N 1 3 250.342 1.570 20 10 CDCDHO COc1cccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1[O-] ZINC000070169535 821035300 /nfs/dbraw/zinc/03/53/00/821035300.db2.gz MBHKMQAMCPCLTP-LBPRGKRZSA-N 1 3 264.369 1.962 20 10 CDCDHO COc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1[O-] ZINC000070169535 821035308 /nfs/dbraw/zinc/03/53/08/821035308.db2.gz MBHKMQAMCPCLTP-LBPRGKRZSA-N 1 3 264.369 1.962 20 10 CDCDHO CCN1CCN([C@@H](C)C[NH2+]Cc2c(C)cccc2O)CC1 ZINC000876931391 821047919 /nfs/dbraw/zinc/04/79/19/821047919.db2.gz NLRZRNXAXWGWHY-HNNXBMFYSA-N 1 3 291.439 1.816 20 10 CDCDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000817902293 821462517 /nfs/dbraw/zinc/46/25/17/821462517.db2.gz MPNUGCOYAZZNAO-CQDKDKBSSA-N 1 3 276.380 1.463 20 10 CDCDHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876931593 822235054 /nfs/dbraw/zinc/23/50/54/822235054.db2.gz QCKQPHNDYZECNN-OAHLLOKOSA-N 1 3 291.439 1.816 20 10 CDCDHO CCOc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c([O-])c1 ZINC000843056917 822340941 /nfs/dbraw/zinc/34/09/41/822340941.db2.gz BUEIKXLDMCAQSZ-VXGBXAGGSA-N 1 3 264.369 1.960 20 10 CDCDHO CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c([O-])c1 ZINC000843056917 822340952 /nfs/dbraw/zinc/34/09/52/822340952.db2.gz BUEIKXLDMCAQSZ-VXGBXAGGSA-N 1 3 264.369 1.960 20 10 CDCDHO [NH3+]C[C@@H](NCc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000841088551 822383409 /nfs/dbraw/zinc/38/34/09/822383409.db2.gz ZFTIOAPDVNVDGG-GFCCVEGCSA-N 1 3 278.352 1.728 20 10 CDCDHO Cc1ccc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)c([O-])c1 ZINC000817937345 822619148 /nfs/dbraw/zinc/61/91/48/822619148.db2.gz WTBIVKKVGXZGJQ-CQSZACIVSA-N 1 3 277.412 1.647 20 10 CDCDHO CC(C)(C)c1ccc(CN2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206530379 917997740 /nfs/dbraw/zinc/99/77/40/917997740.db2.gz HSRHMXLJYXULEV-WFASDCNBSA-N 1 3 278.396 1.441 20 10 CDCDHO C[N@@H+]1CCCN(CCC[NH2+]Cc2ccccc2[O-])CC1 ZINC000729684951 574820968 /nfs/dbraw/zinc/82/09/68/574820968.db2.gz YOGZVFWUTCBYAD-UHFFFAOYSA-N 1 3 277.412 1.509 20 10 CDCDHO C[N@H+]1CCCN(CCC[NH2+]Cc2ccccc2[O-])CC1 ZINC000729684951 574820969 /nfs/dbraw/zinc/82/09/69/574820969.db2.gz YOGZVFWUTCBYAD-UHFFFAOYSA-N 1 3 277.412 1.509 20 10 CDCDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817888961 618484057 /nfs/dbraw/zinc/48/40/57/618484057.db2.gz QGSOBOSKQWBAOF-CHWSQXEVSA-N 1 3 295.402 1.878 20 10 CDCDHO COc1cc(Cl)cc(C[NH2+]CCCC[NH3+])c1[O-] ZINC000229051005 1161483045 /nfs/dbraw/zinc/48/30/45/1161483045.db2.gz YZSSUCOLUVFWPI-UHFFFAOYSA-N 1 3 258.749 1.883 20 10 CDCDHO COc1ccc(O)c(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000126904343 824133828 /nfs/dbraw/zinc/13/38/28/824133828.db2.gz SIDALCANVWGRMT-WDEREUQCSA-N 1 3 250.342 1.570 20 10 CDCDHO CCN(CC[NH3+])Cc1ccc(N2CCN(C)CC2)cc1 ZINC000863644438 828302030 /nfs/dbraw/zinc/30/20/30/828302030.db2.gz WIAGFOIWYVMPCY-UHFFFAOYSA-N 1 3 276.428 1.219 20 10 CDCDHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](O)c1ccc(O)c(O)c1)C2 ZINC001169078765 927705311 /nfs/dbraw/zinc/70/53/11/927705311.db2.gz GGWDXDPXNZGGRH-JFILPPLUSA-N 1 3 292.379 1.346 20 10 CDCDHO C[C@H](CN)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001348514762 966034491 /nfs/dbraw/zinc/03/44/91/966034491.db2.gz HEARXTTYGIKWEA-GFCCVEGCSA-N 1 3 280.391 1.014 20 10 CDCDHO CCOc1ccc(O)c(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421364 626295375 /nfs/dbraw/zinc/29/53/75/626295375.db2.gz ZUQKTUGCWIQMKV-GXTWGEPZSA-N 1 3 276.380 1.832 20 10 CDCDHO COc1cccc(O)c1CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843052777 829860437 /nfs/dbraw/zinc/86/04/37/829860437.db2.gz WEAVCUZHBYPHHW-NWDGAFQWSA-N 1 3 264.369 1.960 20 10 CDCDHO COc1ccc(O)c(CN2CC[C@@](C)(C[NH3+])C2)c1 ZINC000386444486 832417134 /nfs/dbraw/zinc/41/71/34/832417134.db2.gz QKSUJMXRWXIXSW-AWEZNQCLSA-N 1 3 250.342 1.572 20 10 CDCDHO CCOc1cccc(C[NH2+]C[C@@H](N)C2CC2)c1O ZINC000841050665 834746415 /nfs/dbraw/zinc/74/64/15/834746415.db2.gz RVCBKKNBYKIKIY-GFCCVEGCSA-N 1 3 250.342 1.618 20 10 CDCDHO CN(C)c1ccc(CN(C)CCN2CC[NH2+]CC2)cc1F ZINC000843051665 834828216 /nfs/dbraw/zinc/82/82/16/834828216.db2.gz BNPGFZBXZYKURI-UHFFFAOYSA-N 1 3 294.418 1.229 20 10 CDCDHO COc1cccc(CN[C@H](C)[C@H]2CCC[NH2+]C2)c1O ZINC000841033448 834970957 /nfs/dbraw/zinc/97/09/57/834970957.db2.gz NXQSJRFEKCIZPJ-NEPJUHHUSA-N 1 3 264.369 1.879 20 10 CDCDHO COc1cc(CN2C[C@H](O)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139253035 936304396 /nfs/dbraw/zinc/30/43/96/936304396.db2.gz JGLALCHJCRSALF-BXUZGUMPSA-N 1 3 294.395 1.418 20 10 CDCDHO CN1CC2(C1)CC[NH+](Cc1ccc(O)cc1O)CC2 ZINC001204281570 939752770 /nfs/dbraw/zinc/75/27/70/939752770.db2.gz WLTSQSVLVNJKJA-UHFFFAOYSA-N 1 3 262.353 1.625 20 10 CDCDHO Cc1cc(C)c(C[N@@H+]2CCCC[C@](O)(CN)C2)c(O)c1 ZINC001205688375 939920328 /nfs/dbraw/zinc/92/03/28/939920328.db2.gz GULVWXHVXKLVJJ-INIZCTEOSA-N 1 3 278.396 1.685 20 10 CDCDHO Cc1cc(C)c(C[N@H+]2CCCC[C@](O)(CN)C2)c(O)c1 ZINC001205688375 939920330 /nfs/dbraw/zinc/92/03/30/939920330.db2.gz GULVWXHVXKLVJJ-INIZCTEOSA-N 1 3 278.396 1.685 20 10 CDCDHO C[NH+]1CCC(NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000037248587 523778832 /nfs/dbraw/zinc/77/88/32/523778832.db2.gz SMTLHQJNPAOEFK-UHFFFAOYSA-N 1 3 289.423 1.707 20 10 CDCDHO C[C@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)N(C)C ZINC000895300583 619530864 /nfs/dbraw/zinc/53/08/64/619530864.db2.gz ZZRKFSYRQOVFIX-OAHLLOKOSA-N 1 3 291.439 1.953 20 10 CDCDHO CC(C)N(C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649551 835885436 /nfs/dbraw/zinc/88/54/36/835885436.db2.gz VXCVNRDHCJOLOE-OLZOCXBDSA-N 1 3 266.385 1.744 20 10 CDCDHO C[NH2+]C[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000853248150 842547630 /nfs/dbraw/zinc/54/76/30/842547630.db2.gz CFANRECCCCAQAM-AWEZNQCLSA-N 1 3 276.428 1.136 20 10 CDCDHO CN1CC2(C1)CC[NH+](Cc1cc(O)c(O)cc1O)CC2 ZINC001233486598 943596008 /nfs/dbraw/zinc/59/60/08/943596008.db2.gz TZYIKBZFEHVARN-UHFFFAOYSA-N 1 3 278.352 1.331 20 10 CDCDHO COc1ccc(CNCCC[NH+](C)C)c(O)c1OC ZINC000892429857 618191902 /nfs/dbraw/zinc/19/19/02/618191902.db2.gz SBBPFHSKYYSXLL-UHFFFAOYSA-N 1 3 268.357 1.451 20 10 CDCDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230371 844849730 /nfs/dbraw/zinc/84/97/30/844849730.db2.gz NYGQKAKHVDGFQE-ZIAGYGMSSA-N 1 3 291.439 1.863 20 10 CDCDHO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)C[NH3+])c1[O-] ZINC000841049197 621595591 /nfs/dbraw/zinc/59/55/91/621595591.db2.gz NTRMIKMGYSYYMB-QMMMGPOBSA-N 1 3 258.749 1.739 20 10 CDCDHO C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000817934766 698556503 /nfs/dbraw/zinc/55/65/03/698556503.db2.gz CJFKGBNZCOOGNS-LBPRGKRZSA-N 1 3 281.375 1.477 20 10 CDCDHO Cc1c[nH]nc1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283604 849785491 /nfs/dbraw/zinc/78/54/91/849785491.db2.gz LRWIVFIHCZNWAY-UHFFFAOYSA-N 1 3 299.422 1.760 20 10 CDCDHO CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122328380 937922053 /nfs/dbraw/zinc/92/20/53/937922053.db2.gz HUWVXSSXLDYGFH-HUUCEWRRSA-N 1 3 292.427 1.209 20 10 CDCDHO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)CCC[NH3+] ZINC001161135108 938874100 /nfs/dbraw/zinc/87/41/00/938874100.db2.gz SAVOCVWFIJNLOQ-OAHLLOKOSA-N 1 3 292.427 1.167 20 10 CDCDHO CC[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790186 576672767 /nfs/dbraw/zinc/67/27/67/576672767.db2.gz XZZJBQCTCSUADW-SJORKVTESA-N 1 3 291.439 1.860 20 10 CDCDHO CC[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790186 576672769 /nfs/dbraw/zinc/67/27/69/576672769.db2.gz XZZJBQCTCSUADW-SJORKVTESA-N 1 3 291.439 1.860 20 10 CDCDHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817889794 618484023 /nfs/dbraw/zinc/48/40/23/618484023.db2.gz VXPHQMWPHMWNCM-CABCVRRESA-N 1 3 293.386 1.632 20 10 CDCDHO C[C@@H]([NH3+])[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843057013 710354792 /nfs/dbraw/zinc/35/47/92/710354792.db2.gz FERAKTLXGSZXRH-ZJUUUORDSA-N 1 3 264.325 1.290 20 10 CDCDHO COc1ccc(O)c(CN[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000841034870 711504568 /nfs/dbraw/zinc/50/45/68/711504568.db2.gz XUQAJXLHJCXSNQ-VXGBXAGGSA-N 1 3 264.369 1.879 20 10 CDCDHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000817894915 711729839 /nfs/dbraw/zinc/72/98/39/711729839.db2.gz OWCDFCOVHGJGKK-HZPDHXFCSA-N 1 3 275.396 1.493 20 10 CDCDHO CN(Cc1cc(O)c(O)c(O)c1)CC1CC[NH+](C)CC1 ZINC001233012019 943462426 /nfs/dbraw/zinc/46/24/26/943462426.db2.gz HJADUBIWCFKEFA-UHFFFAOYSA-N 1 3 280.368 1.577 20 10 CDCDHO C[C@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CCN1 ZINC001246250765 948056145 /nfs/dbraw/zinc/05/61/45/948056145.db2.gz YDVVOULQJUOQBR-CMPLNLGQSA-N 1 3 250.342 1.370 20 10 CDCDHO C[C@H]1C[C@H](NCCc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246250765 948056153 /nfs/dbraw/zinc/05/61/53/948056153.db2.gz YDVVOULQJUOQBR-CMPLNLGQSA-N 1 3 250.342 1.370 20 10 CDCDHO COc1ccc(O)c(CN2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC001579230374 1172121937 /nfs/dbraw/zinc/12/19/37/1172121937.db2.gz JHWVZUDXYXTLBM-YPMHNXCESA-N 1 3 262.353 1.442 20 10 CDCDHO COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843059005 618692545 /nfs/dbraw/zinc/69/25/45/618692545.db2.gz BZOKWDWYVDYOCO-OUCADQQQSA-N 1 3 276.380 1.960 20 10 CDCDHO COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843059005 618692549 /nfs/dbraw/zinc/69/25/49/618692549.db2.gz BZOKWDWYVDYOCO-OUCADQQQSA-N 1 3 276.380 1.960 20 10 CDCDHO COc1ccc(O)c(CN[C@@H]2CCC[NH2+]CC2)c1 ZINC000841058833 711914256 /nfs/dbraw/zinc/91/42/56/711914256.db2.gz VYXHWHCVNBVOTN-GFCCVEGCSA-N 1 3 250.342 1.633 20 10 CDCDHO COc1cccc(CN(C)CC(C)(C)C[NH3+])c1O ZINC000093873040 712402674 /nfs/dbraw/zinc/40/26/74/712402674.db2.gz JIWQSYOOAJIVBO-UHFFFAOYSA-N 1 3 252.358 1.818 20 10 CDCDHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000817901773 712717559 /nfs/dbraw/zinc/71/75/59/712717559.db2.gz YHVIEOZSBGQUEN-LNSITVRQSA-N 1 3 295.402 1.734 20 10 CDCDHO CCOc1cccc(C[NH2+]C[C@@H](N)C(C)C)c1O ZINC000841028883 936971914 /nfs/dbraw/zinc/97/19/14/936971914.db2.gz JVINXUDZLKSKAH-GFCCVEGCSA-N 1 3 252.358 1.864 20 10 CDCDHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1cc3c(cc1O)OCO3)C2 ZINC000844902194 931721450 /nfs/dbraw/zinc/72/14/50/931721450.db2.gz KTGLWFJWQYSTKC-LRDDRELGSA-N 1 3 290.363 1.682 20 10 CDCDHO C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000894377834 618834663 /nfs/dbraw/zinc/83/46/63/618834663.db2.gz IEFYVSIXJYTCGC-UHFFFAOYSA-N 1 3 295.402 1.649 20 10 CDCDHO C[N@H+]1CCCN(CCC[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000894377834 618834664 /nfs/dbraw/zinc/83/46/64/618834664.db2.gz IEFYVSIXJYTCGC-UHFFFAOYSA-N 1 3 295.402 1.649 20 10 CDCDHO N[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000841049640 621595615 /nfs/dbraw/zinc/59/56/15/621595615.db2.gz MPLURLNEHYFNDV-MRXNPFEDSA-N 1 3 275.396 1.350 20 10 CDCDHO CCOCc1cc(CNC[C@H](C)C[NH3+])ccc1OC ZINC000841050165 936973791 /nfs/dbraw/zinc/97/37/91/936973791.db2.gz YOXPGTVECZIYED-GFCCVEGCSA-N 1 3 266.385 1.916 20 10 CDCDHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCc1cc(O)c(O)cc1O)C2 ZINC001169097888 927698960 /nfs/dbraw/zinc/69/89/60/927698960.db2.gz DVYMLTLKXRMVMA-XYYAHUGASA-N 1 3 292.379 1.561 20 10 CDCDHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCc1cc(O)c(O)cc1O)C2 ZINC001169097888 927698967 /nfs/dbraw/zinc/69/89/67/927698967.db2.gz DVYMLTLKXRMVMA-XYYAHUGASA-N 1 3 292.379 1.561 20 10 CDCDHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000817902294 930623371 /nfs/dbraw/zinc/62/33/71/930623371.db2.gz MPNUGCOYAZZNAO-GLQYFDAESA-N 1 3 276.380 1.463 20 10 CDCDHO CCOc1cccc(CNCC[C@H](C)[NH2+]C)c1O ZINC001118020329 937581256 /nfs/dbraw/zinc/58/12/56/937581256.db2.gz UUZHFRLMIBKMLR-NSHDSACASA-N 1 3 252.358 1.879 20 10 CDCDHO COc1cccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000126852435 1175510602 /nfs/dbraw/zinc/51/06/02/1175510602.db2.gz RVPXCGSBIIYMAA-MNOVXSKESA-N 1 3 250.342 1.570 20 10 CDCDHO CCOc1ccc(O)c(C[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000265913410 521150138 /nfs/dbraw/zinc/15/01/38/521150138.db2.gz YOAYHYHAJQIOFI-UHFFFAOYSA-N 1 3 294.395 1.337 20 10 CDCDHO CC[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790184 576672504 /nfs/dbraw/zinc/67/25/04/576672504.db2.gz XZZJBQCTCSUADW-IAGOWNOFSA-N 1 3 291.439 1.860 20 10 CDCDHO CC[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790184 576672506 /nfs/dbraw/zinc/67/25/06/576672506.db2.gz XZZJBQCTCSUADW-IAGOWNOFSA-N 1 3 291.439 1.860 20 10 CDCDHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1[O-])C2 ZINC001275266954 931718141 /nfs/dbraw/zinc/71/81/41/931718141.db2.gz HEALBRPDTRFKGO-ZBFHGGJFSA-N 1 3 289.423 1.460 20 10 CDCDHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1[O-])C2 ZINC001275266954 931718143 /nfs/dbraw/zinc/71/81/43/931718143.db2.gz HEALBRPDTRFKGO-ZBFHGGJFSA-N 1 3 289.423 1.460 20 10 CDCDHO Cc1cc(F)cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1[O-] ZINC001205249352 939842792 /nfs/dbraw/zinc/84/27/92/939842792.db2.gz WYHOMIFUECSKTG-OAHLLOKOSA-N 1 3 282.359 1.515 20 10 CDCDHO Cc1cc(F)cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1[O-] ZINC001205249352 939842793 /nfs/dbraw/zinc/84/27/93/939842793.db2.gz WYHOMIFUECSKTG-OAHLLOKOSA-N 1 3 282.359 1.515 20 10 CDCDHO CN1CCC(O)(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000077450557 342330454 /nfs/dbraw/zinc/33/04/54/342330454.db2.gz APEYWWYACAENEI-UHFFFAOYSA-N 1 3 276.380 1.168 20 10 CDCDHO COc1ccc(O)c(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420280 626295030 /nfs/dbraw/zinc/29/50/30/626295030.db2.gz JHWVZUDXYXTLBM-WCQYABFASA-N 1 3 262.353 1.442 20 10 CDCDHO CCOc1cccc(CN2CCC[C@@H](C[NH3+])C2)c1O ZINC000044527614 630549034 /nfs/dbraw/zinc/54/90/34/630549034.db2.gz JEIJXHXASAMDBR-LBPRGKRZSA-N 1 3 264.369 1.962 20 10 CDCDHO C[C@@H]1C[C@H](C[NH3+])CN1Cc1cc2c(cc1O)OCO2 ZINC000843058248 678939299 /nfs/dbraw/zinc/93/92/99/678939299.db2.gz QJKKQLMXPUFACJ-NXEZZACHSA-N 1 3 264.325 1.290 20 10 CDCDHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876931592 679013744 /nfs/dbraw/zinc/01/37/44/679013744.db2.gz QCKQPHNDYZECNN-HNNXBMFYSA-N 1 3 291.439 1.816 20 10 CDCDHO COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000841054795 679479825 /nfs/dbraw/zinc/47/98/25/679479825.db2.gz HTZYACIBFMNSMP-WDEREUQCSA-N 1 3 250.342 1.760 20 10 CDCDHO Cc1cc(C)c(CNC(=O)[C@@H](N)CCCC[NH3+])c(O)c1 ZINC001220825965 941475717 /nfs/dbraw/zinc/47/57/17/941475717.db2.gz VVWPCFXJNBNRTL-ZDUSSCGKSA-N 1 3 279.384 1.082 20 10 CDCDHO Cc1cccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1O ZINC000282445687 367889975 /nfs/dbraw/zinc/88/99/75/367889975.db2.gz USUKFIKFEJOAPM-UHFFFAOYSA-N 1 3 291.439 1.816 20 10 CDCDHO CC[NH+](CC)CCOCC[NH2+]Cc1ccccc1[O-] ZINC000757945363 577062208 /nfs/dbraw/zinc/06/22/08/577062208.db2.gz GHWGEVOJBQVRKZ-UHFFFAOYSA-N 1 3 266.385 1.840 20 10 CDCDHO Cc1cc(Br)cc(CN[C@H](C)C[NH3+])c1O ZINC000841059442 682013966 /nfs/dbraw/zinc/01/39/66/682013966.db2.gz DOSGHIYPYFKWDV-MRVPVSSYSA-N 1 3 273.174 1.900 20 10 CDCDHO CCN1CCN([C@H](C)C[NH2+]Cc2c(C)cccc2O)CC1 ZINC000876931392 682533481 /nfs/dbraw/zinc/53/34/81/682533481.db2.gz NLRZRNXAXWGWHY-OAHLLOKOSA-N 1 3 291.439 1.816 20 10 CDCDHO C[NH2+]C[C@H](C)CN[C@H](C)c1cc(OC)ccc1O ZINC001118060260 937586451 /nfs/dbraw/zinc/58/64/51/937586451.db2.gz XOIFDCFVZKGAPS-WDEREUQCSA-N 1 3 252.358 1.907 20 10 CDCDHO COc1cc([O-])c(C[NH+]2CCC(F)(C[NH3+])CC2)c(OC)c1 ZINC001222539381 941610719 /nfs/dbraw/zinc/61/07/19/941610719.db2.gz ZEMYHSZDSOTIOV-UHFFFAOYSA-N 1 3 298.358 1.672 20 10 CDCDHO Nc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC001336117950 960210973 /nfs/dbraw/zinc/21/09/73/960210973.db2.gz RKOGVEKKYXOZIJ-HNNXBMFYSA-N 1 3 289.423 1.859 20 10 CDCDHO COc1ccc(O)c([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000273585176 371169964 /nfs/dbraw/zinc/16/99/64/371169964.db2.gz NPKJOWHVFUXIFZ-GFCCVEGCSA-N 1 3 294.395 1.508 20 10 CDCDHO CN1CCN(c2ccc(CNC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000841034350 621042810 /nfs/dbraw/zinc/04/28/10/621042810.db2.gz AADRQULGVQSLGX-INIZCTEOSA-N 1 3 288.439 1.280 20 10 CDCDHO C[C@@H](CC[NH+](C)C)NCc1ccc(N2CCOCC2)cc1 ZINC000049553589 684786182 /nfs/dbraw/zinc/78/61/82/684786182.db2.gz FRZUBDMMLGTVAD-HNNXBMFYSA-N 1 3 291.439 1.953 20 10 CDCDHO COc1cccc(O)c1CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843052781 686038780 /nfs/dbraw/zinc/03/87/80/686038780.db2.gz WEAVCUZHBYPHHW-VXGBXAGGSA-N 1 3 264.369 1.960 20 10 CDCDHO COc1ccc(O)c(CN[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000841034864 686898159 /nfs/dbraw/zinc/89/81/59/686898159.db2.gz XUQAJXLHJCXSNQ-NEPJUHHUSA-N 1 3 264.369 1.879 20 10 CDCDHO Oc1cc2c(cc1CNC[C@H]1CCC[NH2+]C1)OCO2 ZINC000841032945 687172167 /nfs/dbraw/zinc/17/21/67/687172167.db2.gz KMGLXFZRDCIAGZ-JTQLQIEISA-N 1 3 264.325 1.210 20 10 CDCDHO COc1ccc(CN2CCC[C@H]([NH3+])CC2)c(O)c1 ZINC001205093657 913351756 /nfs/dbraw/zinc/35/17/56/913351756.db2.gz DGGXTWKOJFHXGJ-LBPRGKRZSA-N 1 3 250.342 1.714 20 10 CDCDHO CN1CCN(c2ccc(CN3CC[C@@](C)([NH3+])C3)cc2)CC1 ZINC001204782488 906377816 /nfs/dbraw/zinc/37/78/16/906377816.db2.gz GBKVJXQDYCEAAW-QGZVFWFLSA-N 1 3 288.439 1.362 20 10 CDCDHO [NH3+]CCCOC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000220328256 930941259 /nfs/dbraw/zinc/94/12/59/930941259.db2.gz DVIHHNSTVYKZRS-UHFFFAOYSA-N 1 3 282.359 1.861 20 10 CDCDHO Cc1c(O)ccc(CN2CCC[C@@H]([NH3+])CC2)c1O ZINC001205110480 939824215 /nfs/dbraw/zinc/82/42/15/939824215.db2.gz TXQLCEIGIQLAHK-GFCCVEGCSA-N 1 3 250.342 1.719 20 10 CDCDHO Oc1ccc([C@@H](O)CNC2CC[NH+](C3CC3)CC2)cc1O ZINC001256065892 948191680 /nfs/dbraw/zinc/19/16/80/948191680.db2.gz IHLPFTCKKYMTAC-INIZCTEOSA-N 1 3 292.379 1.348 20 10 CDCDHO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCO[C@@H](CN)C1 ZINC000841100966 618682163 /nfs/dbraw/zinc/68/21/63/618682163.db2.gz QFTGGCQXJNFPJX-INIZCTEOSA-N 1 3 277.412 1.611 20 10 CDCDHO Cc1cc(N(C)C)ccc1C[N@H+]1CCCO[C@@H](CN)C1 ZINC000841100966 618682166 /nfs/dbraw/zinc/68/21/66/618682166.db2.gz QFTGGCQXJNFPJX-INIZCTEOSA-N 1 3 277.412 1.611 20 10 CDCDHO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCO[C@H](CN)C1 ZINC000841100967 618682565 /nfs/dbraw/zinc/68/25/65/618682565.db2.gz QFTGGCQXJNFPJX-MRXNPFEDSA-N 1 3 277.412 1.611 20 10 CDCDHO Cc1cc(N(C)C)ccc1C[N@H+]1CCCO[C@H](CN)C1 ZINC000841100967 618682567 /nfs/dbraw/zinc/68/25/67/618682567.db2.gz QFTGGCQXJNFPJX-MRXNPFEDSA-N 1 3 277.412 1.611 20 10 CDCDHO CCOc1cccc(CN2CCC[C@H](C[NH3+])C2)c1O ZINC000044527613 630549112 /nfs/dbraw/zinc/54/91/12/630549112.db2.gz JEIJXHXASAMDBR-GFCCVEGCSA-N 1 3 264.369 1.962 20 10 CDCDHO COc1cccc(O)c1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000841100264 630580967 /nfs/dbraw/zinc/58/09/67/630580967.db2.gz AEBCGSXZAGFICV-NEPJUHHUSA-N 1 3 264.369 1.818 20 10 CDCDHO Cc1cccc(C[NH2+]C[C@@H]2CNCCCO2)c1O ZINC000841086102 692132475 /nfs/dbraw/zinc/13/24/75/692132475.db2.gz MJTLUNHPKMITTL-ZDUSSCGKSA-N 1 3 250.342 1.169 20 10 CDCDHO COc1cccc(CN2CC[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000253202393 723395902 /nfs/dbraw/zinc/39/59/02/723395902.db2.gz YVMHBBXRFPNAQF-WCQYABFASA-N 1 3 264.369 1.818 20 10 CDCDHO CC[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)N(C)C ZINC000863584492 723275312 /nfs/dbraw/zinc/27/53/12/723275312.db2.gz DPXSNVZSQDHZNO-LSDHHAIUSA-N 1 3 292.427 1.209 20 10 CDCDHO COc1ccc(O)c(CNC[C@H]2CCC[NH2+]C2)c1 ZINC000841033227 936972390 /nfs/dbraw/zinc/97/23/90/936972390.db2.gz QEZLZAZXLQKGBH-NSHDSACASA-N 1 3 250.342 1.490 20 10 CDCDHO COc1cc(O)c(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)cc1OC ZINC001206200120 939997188 /nfs/dbraw/zinc/99/71/88/939997188.db2.gz QIOPPGWQUWIHJQ-RYUDHWBXSA-N 1 3 298.358 1.671 20 10 CDCDHO COc1cc(O)c(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1OC ZINC001206200120 939997190 /nfs/dbraw/zinc/99/71/90/939997190.db2.gz QIOPPGWQUWIHJQ-RYUDHWBXSA-N 1 3 298.358 1.671 20 10 CDCDHO [NH3+]CCN(CC[NH3+])Cc1cccc(-c2ccccc2)c1[O-] ZINC001235881404 944306866 /nfs/dbraw/zinc/30/68/66/944306866.db2.gz YCAIWJHKJFBRBH-UHFFFAOYSA-N 1 3 285.391 1.779 20 10 CDCDHO C[C@@H](CN)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001325318387 953833035 /nfs/dbraw/zinc/83/30/35/953833035.db2.gz HEARXTTYGIKWEA-LBPRGKRZSA-N 1 3 280.391 1.014 20 10 CDCDHO COc1cccc(O)c1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000841100267 630584553 /nfs/dbraw/zinc/58/45/53/630584553.db2.gz AEBCGSXZAGFICV-VXGBXAGGSA-N 1 3 264.369 1.818 20 10 CDCDHO Cc1cccc([O-])c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000876926548 695408559 /nfs/dbraw/zinc/40/85/59/695408559.db2.gz YNTVHROPEBXDSY-UHFFFAOYSA-N 1 3 291.439 1.816 20 10 CDCDHO COc1cc(O)c(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000776222582 724342743 /nfs/dbraw/zinc/34/27/43/724342743.db2.gz GCCHQJDSNPIZTF-AAEUAGOBSA-N 1 3 294.395 1.982 20 10 CDCDHO COc1cc(O)c(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000776222582 724342746 /nfs/dbraw/zinc/34/27/46/724342746.db2.gz GCCHQJDSNPIZTF-AAEUAGOBSA-N 1 3 294.395 1.982 20 10 CDCDHO Cc1cccc(O)c1C[NH2+]CC1(O)CCN(C)CC1 ZINC000877062176 723831816 /nfs/dbraw/zinc/83/18/16/723831816.db2.gz ZTYIQZMVRZYEIA-UHFFFAOYSA-N 1 3 264.369 1.247 20 10 CDCDHO CC[C@@H]1CN(Cc2cc(OC)ccc2O)CC[C@@H]1[NH3+] ZINC000122291823 725206671 /nfs/dbraw/zinc/20/66/71/725206671.db2.gz VBMWMOFDSJSMRZ-RISCZKNCSA-N 1 3 264.369 1.960 20 10 CDCDHO CC[C@H]1CN(Cc2cccc(OC)c2O)CC[C@H]1[NH3+] ZINC000251657121 725513932 /nfs/dbraw/zinc/51/39/32/725513932.db2.gz GVYCIIRBVMDGLD-WCQYABFASA-N 1 3 264.369 1.960 20 10 CDCDHO CCN(CCOC)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139253206 936611716 /nfs/dbraw/zinc/61/17/16/936611716.db2.gz PWVLLZOHCIICDB-UHFFFAOYSA-N 1 3 296.411 1.931 20 10 CDCDHO Cc1cc(F)cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1[O-] ZINC001205249351 939842913 /nfs/dbraw/zinc/84/29/13/939842913.db2.gz WYHOMIFUECSKTG-HNNXBMFYSA-N 1 3 282.359 1.515 20 10 CDCDHO Cc1cc(F)cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1[O-] ZINC001205249351 939842915 /nfs/dbraw/zinc/84/29/15/939842915.db2.gz WYHOMIFUECSKTG-HNNXBMFYSA-N 1 3 282.359 1.515 20 10 CDCDHO Cc1cc(C)c(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222506931 941605259 /nfs/dbraw/zinc/60/52/59/941605259.db2.gz IDCIDGWROVVGAE-HOTGVXAUSA-N 1 3 289.423 1.535 20 10 CDCDHO COc1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c(O)cc1O ZINC001231633382 942949192 /nfs/dbraw/zinc/94/91/92/942949192.db2.gz NJSTUGVUSBQIDS-YPMHNXCESA-N 1 3 292.379 1.490 20 10 CDCDHO COc1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c(O)cc1O ZINC001231633382 942949195 /nfs/dbraw/zinc/94/91/95/942949195.db2.gz NJSTUGVUSBQIDS-YPMHNXCESA-N 1 3 292.379 1.490 20 10 CDCDHO C[NH+]1CCC2(CCN(Cc3cc(O)c(O)c(O)c3)C2)CC1 ZINC001233017748 943466547 /nfs/dbraw/zinc/46/65/47/943466547.db2.gz ZYQTVSLQIWTJOG-UHFFFAOYSA-N 1 3 292.379 1.721 20 10 CDCDHO CN(C)CCN(C(=O)C1=CCC[NH2+]CC1)c1ccccc1 ZINC001340840377 963150816 /nfs/dbraw/zinc/15/08/16/963150816.db2.gz XRTWIRLZWFPTMV-UHFFFAOYSA-N 1 3 287.407 1.891 20 10 CDCDHO CCOc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c([O-])c1 ZINC000841036846 621240683 /nfs/dbraw/zinc/24/06/83/621240683.db2.gz PVGSUPPRLCBVCA-GFCCVEGCSA-N 1 3 264.369 1.880 20 10 CDCDHO COc1cc(O)c(CN[C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000841033656 726278712 /nfs/dbraw/zinc/27/87/12/726278712.db2.gz RAPGPHALVQWEQE-NEPJUHHUSA-N 1 3 294.395 1.887 20 10 CDCDHO CCOc1ccc(O)c(CN2CCC[C@@H](C[NH3+])C2)c1 ZINC000843047520 727951362 /nfs/dbraw/zinc/95/13/62/727951362.db2.gz RWLGAXCSJYXOKP-LBPRGKRZSA-N 1 3 264.369 1.962 20 10 CDCDHO Cc1ccc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)c([O-])c1 ZINC000817945308 728070057 /nfs/dbraw/zinc/07/00/57/728070057.db2.gz ZFYVBRHQPUGGQF-CYBMUJFWSA-N 1 3 263.385 1.256 20 10 CDCDHO COc1cccc(O)c1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843058452 618691940 /nfs/dbraw/zinc/69/19/40/618691940.db2.gz SMLPCBGVLFIBFW-GHMZBOCLSA-N 1 3 250.342 1.570 20 10 CDCDHO COc1cccc(CN[C@@H](C[NH3+])CC(C)C)c1O ZINC000841038891 621532270 /nfs/dbraw/zinc/53/22/70/621532270.db2.gz TXKDHTMSIWHHRE-GFCCVEGCSA-N 1 3 252.358 1.864 20 10 CDCDHO COc1cc(C)cc(CNC[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC001579144593 1172105752 /nfs/dbraw/zinc/10/57/52/1172105752.db2.gz GYLPHCFBKQEQFV-YPMHNXCESA-N 1 3 264.369 1.654 20 10 CDCDHO COc1cc(O)c(CN[C@H]2CCC[NH2+]CC2)cc1OC ZINC000841056588 729366084 /nfs/dbraw/zinc/36/60/84/729366084.db2.gz ADIPRXADSIRLNN-LBPRGKRZSA-N 1 3 280.368 1.641 20 10 CDCDHO COc1cc(O)c(CN[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000841056584 936973860 /nfs/dbraw/zinc/97/38/60/936973860.db2.gz ADIPRXADSIRLNN-GFCCVEGCSA-N 1 3 280.368 1.641 20 10 CDCDHO CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([O-])c1 ZINC000843057532 618691033 /nfs/dbraw/zinc/69/10/33/618691033.db2.gz JLPTXSNSWAKTMP-RYUDHWBXSA-N 1 3 264.369 1.960 20 10 CDCDHO CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([O-])c1 ZINC000843057532 618691037 /nfs/dbraw/zinc/69/10/37/618691037.db2.gz JLPTXSNSWAKTMP-RYUDHWBXSA-N 1 3 264.369 1.960 20 10 CDCDHO c1cc(N2CCOCC2)ccc1CN[C@H]1CCC[NH2+]CC1 ZINC000841057378 731329237 /nfs/dbraw/zinc/32/92/37/731329237.db2.gz JUNYHAVEHHEIAE-INIZCTEOSA-N 1 3 289.423 1.755 20 10 CDCDHO COc1cc([O-])c(C[NH+]2CCC(C[NH3+])CC2)c(OC)c1 ZINC001205040666 939817470 /nfs/dbraw/zinc/81/74/70/939817470.db2.gz GVDZTZYQNLXLLZ-UHFFFAOYSA-N 1 3 280.368 1.580 20 10 CDCDHO CC[NH+](CC)CCOCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000757945866 577062759 /nfs/dbraw/zinc/06/27/59/577062759.db2.gz IQYGTLUTHYLBAR-UHFFFAOYSA-N 1 3 284.375 1.979 20 10 CDCDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000817901774 735888684 /nfs/dbraw/zinc/88/86/84/735888684.db2.gz YHVIEOZSBGQUEN-NJZAAPMLSA-N 1 3 295.402 1.734 20 10 CDCDHO C[C@H](C[NH3+])CNCc1ccc(N2CCOCC2)cc1 ZINC000841048073 734197479 /nfs/dbraw/zinc/19/74/79/734197479.db2.gz GQAZJANILKHCLD-CYBMUJFWSA-N 1 3 263.385 1.208 20 10 CDCDHO COc1cccc([O-])c1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000843052898 736156523 /nfs/dbraw/zinc/15/65/23/736156523.db2.gz OHVWSEZEMLZPIG-NSHDSACASA-N 1 3 264.369 1.960 20 10 CDCDHO COc1ccc(CN2CCC[C@@H]([NH3+])CC2)c(O)c1 ZINC001205093656 913353070 /nfs/dbraw/zinc/35/30/70/913353070.db2.gz DGGXTWKOJFHXGJ-GFCCVEGCSA-N 1 3 250.342 1.714 20 10 CDCDHO COc1cc(CN2CCCC[C@H](C[NH3+])C2)c(O)cc1O ZINC001206631922 937202901 /nfs/dbraw/zinc/20/29/01/937202901.db2.gz CVXSQPBPVKDQAM-LLVKDONJSA-N 1 3 280.368 1.667 20 10 CDCDHO C[C@H]1C[NH2+]C[C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2[O-])C1 ZINC001219651231 941370498 /nfs/dbraw/zinc/37/04/98/941370498.db2.gz URXVWNIABQNWSF-MBNYWOFBSA-N 1 3 291.395 1.144 20 10 CDCDHO C[C@H](C[NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001263259977 943812792 /nfs/dbraw/zinc/81/27/92/943812792.db2.gz MWWUHPIYKKZCHV-IUODEOHRSA-N 1 3 292.427 1.066 20 10 CDCDHO [O-]c1cc(O)ccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314177 944464211 /nfs/dbraw/zinc/46/42/11/944464211.db2.gz JMBFQDSZYFKGCJ-TXEJJXNPSA-N 1 3 262.353 1.529 20 10 CDCDHO [O-]c1cc(O)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314177 944464216 /nfs/dbraw/zinc/46/42/16/944464216.db2.gz JMBFQDSZYFKGCJ-TXEJJXNPSA-N 1 3 262.353 1.529 20 10 CDCDHO C[NH2+]CCCNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326075698 954205914 /nfs/dbraw/zinc/20/59/14/954205914.db2.gz KXRNVGURRYETQV-UHFFFAOYSA-N 1 3 294.418 1.277 20 10 CDCDHO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)N(C)C)C1C[NH2+]C1 ZINC000902517033 624916170 /nfs/dbraw/zinc/91/61/70/624916170.db2.gz JELWTGSLWGVKGK-CXAGYDPISA-N 1 3 290.455 1.553 20 10 CDCDHO CC(C)([NH3+])CCNCc1ccc(N2CCOCC2)cc1 ZINC000903941247 626161387 /nfs/dbraw/zinc/16/13/87/626161387.db2.gz SXOQWZWQALIICR-UHFFFAOYSA-N 1 3 277.412 1.740 20 10 CDCDHO CC[NH+]1CCC(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000044517899 630548582 /nfs/dbraw/zinc/54/85/82/630548582.db2.gz MDCWVBDJMWBOQH-UHFFFAOYSA-N 1 3 292.379 1.942 20 10 CDCDHO COc1ccc(N2CCN(CCCC[NH3+])CC2)c(OC)c1 ZINC000098150057 1174623781 /nfs/dbraw/zinc/62/37/81/1174623781.db2.gz AXGDSJDBIVESMI-UHFFFAOYSA-N 1 3 293.411 1.565 20 10 CDCDHO CN1CCN(c2ccc(CN3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000843054640 736458576 /nfs/dbraw/zinc/45/85/76/736458576.db2.gz YLNJTMOIZTZAIF-QGZVFWFLSA-N 1 3 288.439 1.362 20 10 CDCDHO CCOc1cccc(CN2CC[C@H](C[NH3+])C2)c1O ZINC000050245078 736660731 /nfs/dbraw/zinc/66/07/31/736660731.db2.gz DYIBZIQQZSGJPE-LLVKDONJSA-N 1 3 250.342 1.572 20 10 CDCDHO COc1ccc(O)c(CN2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000253184043 738047593 /nfs/dbraw/zinc/04/75/93/738047593.db2.gz HBBXTSLMFPTHAG-WCQYABFASA-N 1 3 264.369 1.818 20 10 CDCDHO C[C@H]1C[C@@H](C[NH3+])CN1Cc1cc2c(cc1O)OCO2 ZINC000843058249 738048404 /nfs/dbraw/zinc/04/84/04/738048404.db2.gz QJKKQLMXPUFACJ-UWVGGRQHSA-N 1 3 264.325 1.290 20 10 CDCDHO [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000312241575 738719630 /nfs/dbraw/zinc/71/96/30/738719630.db2.gz KDNDQGOYCOSGRP-CQSZACIVSA-N 1 3 279.359 1.011 20 10 CDCDHO [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000312241575 738719633 /nfs/dbraw/zinc/71/96/33/738719633.db2.gz KDNDQGOYCOSGRP-CQSZACIVSA-N 1 3 279.359 1.011 20 10 CDCDHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000817894913 738798954 /nfs/dbraw/zinc/79/89/54/738798954.db2.gz OWCDFCOVHGJGKK-CVEARBPZSA-N 1 3 275.396 1.493 20 10 CDCDHO COc1cccc(CN2CCC[C@@H]([NH3+])CC2)c1O ZINC001205095020 913392575 /nfs/dbraw/zinc/39/25/75/913392575.db2.gz SVDAGETVDUQGSL-GFCCVEGCSA-N 1 3 250.342 1.714 20 10 CDCDHO COc1ccc(O)c(CNC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000841056410 936973813 /nfs/dbraw/zinc/97/38/13/936973813.db2.gz GRGFZYIKPUFCND-HNNXBMFYSA-N 1 3 264.369 1.880 20 10 CDCDHO C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(F)ccc1[O-] ZINC000219319573 930873177 /nfs/dbraw/zinc/87/31/77/930873177.db2.gz VXVSJQSHUDNPCF-NSHDSACASA-N 1 3 270.348 1.760 20 10 CDCDHO CC[NH+](CC)CCN1CCN(Cc2ccccc2O)CC1 ZINC001203547266 939692906 /nfs/dbraw/zinc/69/29/06/939692906.db2.gz LMUXEODFJAHSLT-UHFFFAOYSA-N 1 3 291.439 1.852 20 10 CDCDHO COc1ccc(N2CCC([NH2+]C[C@H](C)CN)CC2)cc1 ZINC000841048446 742322114 /nfs/dbraw/zinc/32/21/14/742322114.db2.gz IZZCQKPFJAQNGT-CYBMUJFWSA-N 1 3 277.412 1.848 20 10 CDCDHO C[NH2+]C[C@@H](C)CN[C@@H](C)c1cc(OC)ccc1O ZINC001118060194 937586718 /nfs/dbraw/zinc/58/67/18/937586718.db2.gz XOIFDCFVZKGAPS-MNOVXSKESA-N 1 3 252.358 1.907 20 10 CDCDHO COc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)c(O)cc1O ZINC001205145834 939828439 /nfs/dbraw/zinc/82/84/39/939828439.db2.gz JMLUKTMKQUFNPW-GXSJLCMTSA-N 1 3 266.341 1.133 20 10 CDCDHO Cc1cccc(O)c1C[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001205726162 939927878 /nfs/dbraw/zinc/92/78/78/939927878.db2.gz PKSKBGWSQGJABN-HNNXBMFYSA-N 1 3 264.369 1.376 20 10 CDCDHO Cc1cccc(O)c1C[N@H+]1CCCC[C@](O)(CN)C1 ZINC001205726162 939927879 /nfs/dbraw/zinc/92/78/79/939927879.db2.gz PKSKBGWSQGJABN-HNNXBMFYSA-N 1 3 264.369 1.376 20 10 CDCDHO CN1CC[C@H]([NH2+]C2CCN(Cc3ccccc3O)CC2)C1 ZINC001255422555 947868538 /nfs/dbraw/zinc/86/85/38/947868538.db2.gz ZGCIXBGIKBIUGN-INIZCTEOSA-N 1 3 289.423 1.650 20 10 CDCDHO COc1cc(C)c(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c([O-])c1 ZINC001579145341 1172105857 /nfs/dbraw/zinc/10/58/57/1172105857.db2.gz YGDBUZCXWYNRFK-GFCCVEGCSA-N 1 3 264.369 1.880 20 10 CDCDHO COc1cc(C)c(C[N@H+]2CC[C@@H](CC[NH3+])C2)c([O-])c1 ZINC001579145341 1172105858 /nfs/dbraw/zinc/10/58/58/1172105858.db2.gz YGDBUZCXWYNRFK-GFCCVEGCSA-N 1 3 264.369 1.880 20 10 CDCDHO C[C@H](N)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817972596 742874388 /nfs/dbraw/zinc/87/43/88/742874388.db2.gz YFJFCZNAZIUBEI-RYUDHWBXSA-N 1 3 281.375 1.660 20 10 CDCDHO CC[C@H]1CN(Cc2cc(OC)ccc2O)CC[C@@H]1[NH3+] ZINC000122292059 742994135 /nfs/dbraw/zinc/99/41/35/742994135.db2.gz VBMWMOFDSJSMRZ-FZMZJTMJSA-N 1 3 264.369 1.960 20 10 CDCDHO COc1cc(O)c(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000841033657 744982398 /nfs/dbraw/zinc/98/23/98/744982398.db2.gz RAPGPHALVQWEQE-NWDGAFQWSA-N 1 3 294.395 1.887 20 10 CDCDHO COc1cc(O)c(CN[C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000841033659 745648239 /nfs/dbraw/zinc/64/82/39/745648239.db2.gz RAPGPHALVQWEQE-VXGBXAGGSA-N 1 3 294.395 1.887 20 10 CDCDHO C[C@]1(C[NH3+])CCN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843115107 745694251 /nfs/dbraw/zinc/69/42/51/745694251.db2.gz GURSAZSUOSNQBI-QGZVFWFLSA-N 1 3 289.423 1.694 20 10 CDCDHO Cc1cc(O)c(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1C ZINC000843124549 746003704 /nfs/dbraw/zinc/00/37/04/746003704.db2.gz HMQGJEKXNOLCFQ-INIZCTEOSA-N 1 3 289.423 1.489 20 10 CDCDHO [O-]c1cccc2c1[C@H]([NH2+]CCCN1CC[NH2+]CC1)CC2 ZINC000817935588 746446990 /nfs/dbraw/zinc/44/69/90/746446990.db2.gz JFFRRUHZARYGAP-CQSZACIVSA-N 1 3 275.396 1.264 20 10 CDCDHO COc1cccc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000126851987 747332521 /nfs/dbraw/zinc/33/25/21/747332521.db2.gz RVPXCGSBIIYMAA-GHMZBOCLSA-N 1 3 250.342 1.570 20 10 CDCDHO CCCN(C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273577 748515667 /nfs/dbraw/zinc/51/56/67/748515667.db2.gz OUEYHNGUKOZHOB-OAHLLOKOSA-N 1 3 292.427 1.210 20 10 CDCDHO CN1CC2(C1)CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141160671 936823054 /nfs/dbraw/zinc/82/30/54/936823054.db2.gz GXNLLBUHWKRBHJ-UHFFFAOYSA-N 1 3 262.353 1.625 20 10 CDCDHO CCOc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205247798 939842321 /nfs/dbraw/zinc/84/23/21/939842321.db2.gz JLRWABRYPFJWTH-MRXNPFEDSA-N 1 3 294.395 1.467 20 10 CDCDHO CCOc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205247798 939842323 /nfs/dbraw/zinc/84/23/23/939842323.db2.gz JLRWABRYPFJWTH-MRXNPFEDSA-N 1 3 294.395 1.467 20 10 CDCDHO C[C@@H](CC[NH3+])NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001348515021 966035310 /nfs/dbraw/zinc/03/53/10/966035310.db2.gz IMFHQSGFBQMGOS-ZDUSSCGKSA-N 1 3 294.418 1.404 20 10 CDCDHO N[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000841049639 621595647 /nfs/dbraw/zinc/59/56/47/621595647.db2.gz MPLURLNEHYFNDV-INIZCTEOSA-N 1 3 275.396 1.350 20 10 CDCDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000817901775 750858853 /nfs/dbraw/zinc/85/88/53/750858853.db2.gz YHVIEOZSBGQUEN-WHOFXGATSA-N 1 3 295.402 1.734 20 10 CDCDHO COc1cc(O)c(C[NH2+]CC2(N)CCC2)cc1OC ZINC000841048384 750866596 /nfs/dbraw/zinc/86/65/96/750866596.db2.gz IGVXGYJVRIYHJX-UHFFFAOYSA-N 1 3 266.341 1.380 20 10 CDCDHO COC[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000817943289 752841823 /nfs/dbraw/zinc/84/18/23/752841823.db2.gz UAAQAAAWMZCITK-JKSUJKDBSA-N 1 3 277.412 1.767 20 10 CDCDHO C[C@@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)CC[N@@H+]1C ZINC000090720546 752914715 /nfs/dbraw/zinc/91/47/15/752914715.db2.gz LLOXYNQZLBDAQZ-PWSUYJOCSA-N 1 3 278.352 1.693 20 10 CDCDHO C[C@@H]1C[C@@H](NCc2cc3c(cc2O)OCO3)CC[N@H+]1C ZINC000090720546 752914723 /nfs/dbraw/zinc/91/47/23/752914723.db2.gz LLOXYNQZLBDAQZ-PWSUYJOCSA-N 1 3 278.352 1.693 20 10 CDCDHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1ccc(O)c(O)c1)C2 ZINC001169078768 927705268 /nfs/dbraw/zinc/70/52/68/927705268.db2.gz GGWDXDPXNZGGRH-ZWUHOBOKSA-N 1 3 292.379 1.346 20 10 CDCDHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1ccc(O)c(O)c1)C2 ZINC001169078767 927706182 /nfs/dbraw/zinc/70/61/82/927706182.db2.gz GGWDXDPXNZGGRH-OQMKEHIESA-N 1 3 292.379 1.346 20 10 CDCDHO CN(C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204280506 939752188 /nfs/dbraw/zinc/75/21/88/939752188.db2.gz KJKBSKXLRIYGJE-IUODEOHRSA-N 1 3 262.353 1.481 20 10 CDCDHO CN(C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204280506 939752191 /nfs/dbraw/zinc/75/21/91/939752191.db2.gz KJKBSKXLRIYGJE-IUODEOHRSA-N 1 3 262.353 1.481 20 10 CDCDHO C[C@H]1CN(Cc2ccc3c(c2)OCCN3C)C[C@H]1C[NH3+] ZINC001205141195 939827630 /nfs/dbraw/zinc/82/76/30/939827630.db2.gz YGIXHDZJIUGPNN-GXTWGEPZSA-N 1 3 275.396 1.542 20 10 CDCDHO COc1cc(O)c(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)cc1OC ZINC001206200121 939997538 /nfs/dbraw/zinc/99/75/38/939997538.db2.gz QIOPPGWQUWIHJQ-VXGBXAGGSA-N 1 3 298.358 1.671 20 10 CDCDHO COc1cc(O)c(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)cc1OC ZINC001206200121 939997539 /nfs/dbraw/zinc/99/75/39/939997539.db2.gz QIOPPGWQUWIHJQ-VXGBXAGGSA-N 1 3 298.358 1.671 20 10 CDCDHO CN(CCC[N@H+](C)Cc1cc(F)ccc1[O-])CC[NH+](C)C ZINC000290267023 524061109 /nfs/dbraw/zinc/06/11/09/524061109.db2.gz XLFGGMIGTHZXMC-UHFFFAOYSA-N 1 3 297.418 1.847 20 10 CDCDHO CN(CCC[N@@H+](C)Cc1cc(F)ccc1[O-])CC[NH+](C)C ZINC000290267023 524061110 /nfs/dbraw/zinc/06/11/10/524061110.db2.gz XLFGGMIGTHZXMC-UHFFFAOYSA-N 1 3 297.418 1.847 20 10 CDCDHO COc1ccc(O)c(CN[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000841034868 755667354 /nfs/dbraw/zinc/66/73/54/755667354.db2.gz XUQAJXLHJCXSNQ-RYUDHWBXSA-N 1 3 264.369 1.879 20 10 CDCDHO COc1cc(O)c(C[NH2+]C[C@@H](N)C2CC2)cc1OC ZINC000841051807 754323800 /nfs/dbraw/zinc/32/38/00/754323800.db2.gz YXTHZNLWPHKYPV-LLVKDONJSA-N 1 3 266.341 1.236 20 10 CDCDHO [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000843125413 754342500 /nfs/dbraw/zinc/34/25/00/754342500.db2.gz VXRVEFQYWBEUTA-ZBFHGGJFSA-N 1 3 294.370 1.860 20 10 CDCDHO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000840930886 755815513 /nfs/dbraw/zinc/81/55/13/755815513.db2.gz PRIHSQUQQADEIQ-QGZVFWFLSA-N 1 3 291.439 1.607 20 10 CDCDHO Cc1cc(Br)cc(CN[C@@H](C)C[NH3+])c1O ZINC000841062758 758224182 /nfs/dbraw/zinc/22/41/82/758224182.db2.gz DOSGHIYPYFKWDV-QMMMGPOBSA-N 1 3 273.174 1.900 20 10 CDCDHO CN1CCOc2cc(C[N@@H+]3CC[C@H](N)[C@@H](F)CC3)ccc21 ZINC001206175210 939990298 /nfs/dbraw/zinc/99/02/98/939990298.db2.gz SJMKLRXWCUKXKS-KBPBESRZSA-N 1 3 293.386 1.776 20 10 CDCDHO CN1CCOc2cc(C[N@H+]3CC[C@H](N)[C@@H](F)CC3)ccc21 ZINC001206175210 939990302 /nfs/dbraw/zinc/99/03/02/939990302.db2.gz SJMKLRXWCUKXKS-KBPBESRZSA-N 1 3 293.386 1.776 20 10 CDCDHO CCOc1cccc(C[NH2+]CC2(O)CCN(C)CC2)c1O ZINC000077450474 342330417 /nfs/dbraw/zinc/33/04/17/342330417.db2.gz MNFZGVKBQWEIMZ-UHFFFAOYSA-N 1 3 294.395 1.337 20 10 CDCDHO COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843059004 618692782 /nfs/dbraw/zinc/69/27/82/618692782.db2.gz BZOKWDWYVDYOCO-OBJOEFQTSA-N 1 3 276.380 1.960 20 10 CDCDHO COc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843059004 618692784 /nfs/dbraw/zinc/69/27/84/618692784.db2.gz BZOKWDWYVDYOCO-OBJOEFQTSA-N 1 3 276.380 1.960 20 10 CDCDHO COc1cccc(CN2CCC[C@@H](C[NH3+])C2)c1O ZINC000044527626 630548994 /nfs/dbraw/zinc/54/89/94/630548994.db2.gz YYNGQCWJSZVZKN-NSHDSACASA-N 1 3 250.342 1.572 20 10 CDCDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(N2CCOCC2)cc1 ZINC000817896218 769589462 /nfs/dbraw/zinc/58/94/62/769589462.db2.gz ZPCDGFNZERNXJJ-KBPBESRZSA-N 1 3 277.412 1.739 20 10 CDCDHO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2N)cc1F ZINC000817898807 771859785 /nfs/dbraw/zinc/85/97/85/771859785.db2.gz BGOIVNVAAANTTP-OLZOCXBDSA-N 1 3 251.349 1.861 20 10 CDCDHO COc1cc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)c(O)cc1O ZINC001206190218 912162888 /nfs/dbraw/zinc/16/28/88/912162888.db2.gz ZOGSEQTYJFFMMV-WDEREUQCSA-N 1 3 284.331 1.368 20 10 CDCDHO COc1cc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)c(O)cc1O ZINC001206190218 912162895 /nfs/dbraw/zinc/16/28/95/912162895.db2.gz ZOGSEQTYJFFMMV-WDEREUQCSA-N 1 3 284.331 1.368 20 10 CDCDHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCc1cc(O)c(O)cc1O)C2 ZINC001169097887 927698927 /nfs/dbraw/zinc/69/89/27/927698927.db2.gz DVYMLTLKXRMVMA-CLLJXQQHSA-N 1 3 292.379 1.561 20 10 CDCDHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCc1cc(O)c(O)cc1O)C2 ZINC001169097887 927698933 /nfs/dbraw/zinc/69/89/33/927698933.db2.gz DVYMLTLKXRMVMA-CLLJXQQHSA-N 1 3 292.379 1.561 20 10 CDCDHO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001205726163 939928074 /nfs/dbraw/zinc/92/80/74/939928074.db2.gz PKSKBGWSQGJABN-OAHLLOKOSA-N 1 3 264.369 1.376 20 10 CDCDHO Cc1cccc(O)c1C[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001205726163 939928077 /nfs/dbraw/zinc/92/80/77/939928077.db2.gz PKSKBGWSQGJABN-OAHLLOKOSA-N 1 3 264.369 1.376 20 10 CDCDHO [NH3+]Cc1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2[O-])cc1 ZINC001219347134 941333418 /nfs/dbraw/zinc/33/34/18/941333418.db2.gz ITKZZGDLRVDEIO-CQSZACIVSA-N 1 3 285.347 1.880 20 10 CDCDHO CN1CCN(c2ccc(CN[C@H]3C[C@H]([NH3+])C3)cc2F)CC1 ZINC001345235289 964640401 /nfs/dbraw/zinc/64/04/01/964640401.db2.gz OSHKGTMWIFIJCO-HDJSIYSDSA-N 1 3 292.402 1.157 20 10 CDCDHO COc1cccc(O)c1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000841100265 630581709 /nfs/dbraw/zinc/58/17/09/630581709.db2.gz AEBCGSXZAGFICV-NWDGAFQWSA-N 1 3 264.369 1.818 20 10 CDCDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000817894261 774399145 /nfs/dbraw/zinc/39/91/45/774399145.db2.gz CLYRVDOLMPCVKO-RCBQFDQVSA-N 1 3 277.412 1.595 20 10 CDCDHO COc1cccc(O)c1C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000787307361 779320647 /nfs/dbraw/zinc/32/06/47/779320647.db2.gz VEHOZCZOBTXZQB-TXEJJXNPSA-N 1 3 262.353 1.394 20 10 CDCDHO COc1cccc(O)c1C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000787307361 779320651 /nfs/dbraw/zinc/32/06/51/779320651.db2.gz VEHOZCZOBTXZQB-TXEJJXNPSA-N 1 3 262.353 1.394 20 10 CDCDHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[O-] ZINC001275267472 931718500 /nfs/dbraw/zinc/71/85/00/931718500.db2.gz PHISIMMAUHRDLI-IYBDPMFKSA-N 1 3 289.423 1.602 20 10 CDCDHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[O-] ZINC001275267472 931718504 /nfs/dbraw/zinc/71/85/04/931718504.db2.gz PHISIMMAUHRDLI-IYBDPMFKSA-N 1 3 289.423 1.602 20 10 CDCDHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1[O-] ZINC001275266971 931719112 /nfs/dbraw/zinc/71/91/12/931719112.db2.gz HLDRKRQCAQBRPG-HOTGVXAUSA-N 1 3 289.423 1.602 20 10 CDCDHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1[O-] ZINC001275266971 931719115 /nfs/dbraw/zinc/71/91/15/931719115.db2.gz HLDRKRQCAQBRPG-HOTGVXAUSA-N 1 3 289.423 1.602 20 10 CDCDHO C[NH2+]C[C@@H](C)CNCc1cc2c(cc1O)OCO2 ZINC001327416186 954870126 /nfs/dbraw/zinc/87/01/26/954870126.db2.gz PQUBELDCZRAHGE-SECBINFHSA-N 1 3 252.314 1.066 20 10 CDCDHO CC[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790185 576672646 /nfs/dbraw/zinc/67/26/46/576672646.db2.gz XZZJBQCTCSUADW-IRXDYDNUSA-N 1 3 291.439 1.860 20 10 CDCDHO CC[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000762790185 576672648 /nfs/dbraw/zinc/67/26/48/576672648.db2.gz XZZJBQCTCSUADW-IRXDYDNUSA-N 1 3 291.439 1.860 20 10 CDCDHO C[C@@H](C[NH3+])CNCc1ccc(N2CCOCC2)cc1 ZINC000841048076 782484969 /nfs/dbraw/zinc/48/49/69/782484969.db2.gz GQAZJANILKHCLD-ZDUSSCGKSA-N 1 3 263.385 1.208 20 10 CDCDHO C[C@@H]1C[C@H](C)N(Cc2cc3c(cc2O)OCO3)C[C@@H]1C[NH3+] ZINC000817864845 780802543 /nfs/dbraw/zinc/80/25/43/780802543.db2.gz DVDKCQBQSNGVOB-MDZLAQPJSA-N 1 3 292.379 1.926 20 10 CDCDHO COc1cccc(CN[C@H](C[NH3+])C(C)(C)C)c1O ZINC000841087636 906927741 /nfs/dbraw/zinc/92/77/41/906927741.db2.gz OOKNIZCFLQPIDY-GFCCVEGCSA-N 1 3 252.358 1.864 20 10 CDCDHO COc1cc(CN2CC[C@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139257312 936611768 /nfs/dbraw/zinc/61/17/68/936611768.db2.gz XOCCOPMDYGJSHM-LBPRGKRZSA-N 1 3 294.395 1.277 20 10 CDCDHO [NH3+]C[C@@H]1CCCCN(Cc2cc(O)c(O)cc2O)C1 ZINC001206639959 937276728 /nfs/dbraw/zinc/27/67/28/937276728.db2.gz HIBYTRKNMJUMJR-JTQLQIEISA-N 1 3 266.341 1.364 20 10 CDCDHO CC[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)N(C)C ZINC000863584491 929574523 /nfs/dbraw/zinc/57/45/23/929574523.db2.gz DPXSNVZSQDHZNO-HUUCEWRRSA-N 1 3 292.427 1.209 20 10 CDCDHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817962442 930647151 /nfs/dbraw/zinc/64/71/51/930647151.db2.gz MHYMKMWVTWFNDD-OLZOCXBDSA-N 1 3 295.402 1.908 20 10 CDCDHO C[C@@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)N(C)C ZINC000895300582 619530520 /nfs/dbraw/zinc/53/05/20/619530520.db2.gz ZZRKFSYRQOVFIX-HNNXBMFYSA-N 1 3 291.439 1.953 20 10 CDCDHO COc1cccc(CN2CCC[C@H](C[NH3+])C2)c1O ZINC000044527625 630549206 /nfs/dbraw/zinc/54/92/06/630549206.db2.gz YYNGQCWJSZVZKN-LLVKDONJSA-N 1 3 250.342 1.572 20 10 CDCDHO C[C@@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccccc1[O-] ZINC001579414457 1172171385 /nfs/dbraw/zinc/17/13/85/1172171385.db2.gz DLIXVVGQQAAYSF-VXGBXAGGSA-N 1 3 262.353 1.564 20 10 CDCDHO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(N(C)C)cc1O ZINC001205082513 913097968 /nfs/dbraw/zinc/09/79/68/913097968.db2.gz GEZOHBCRNIABPS-FZMZJTMJSA-N 1 3 263.385 1.770 20 10 CDCDHO CCOc1ccc(O)c(C[NH2+]C[C@@H](N)C(C)C)c1 ZINC000841028504 936971501 /nfs/dbraw/zinc/97/15/01/936971501.db2.gz HSLAVKQFEZQAKA-CYBMUJFWSA-N 1 3 252.358 1.864 20 10 CDCDHO COc1cccc(CN[C@H]2CC[NH2+]CC2(C)C)c1O ZINC000841073676 936974301 /nfs/dbraw/zinc/97/43/01/936974301.db2.gz VXWWZJFQRIQDLQ-ZDUSSCGKSA-N 1 3 264.369 1.879 20 10 CDCDHO C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(O)cc3[O-])C[C@H]2CC1 ZINC001275949818 932162352 /nfs/dbraw/zinc/16/23/52/932162352.db2.gz LIUCAFCZQIQZIZ-BETUJISGSA-N 1 3 276.380 1.871 20 10 CDCDHO C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(O)cc3[O-])C[C@H]2CC1 ZINC001275949818 932162354 /nfs/dbraw/zinc/16/23/54/932162354.db2.gz LIUCAFCZQIQZIZ-BETUJISGSA-N 1 3 276.380 1.871 20 10 CDCDHO C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]2CC1 ZINC001275949818 932162357 /nfs/dbraw/zinc/16/23/57/932162357.db2.gz LIUCAFCZQIQZIZ-BETUJISGSA-N 1 3 276.380 1.871 20 10 CDCDHO C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]2CC1 ZINC001275949818 932162358 /nfs/dbraw/zinc/16/23/58/932162358.db2.gz LIUCAFCZQIQZIZ-BETUJISGSA-N 1 3 276.380 1.871 20 10 CDCDHO C[C@]1([NH3+])CCC[N@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001205264305 939843375 /nfs/dbraw/zinc/84/33/75/939843375.db2.gz JPRWUTKQKXABNO-AWEZNQCLSA-N 1 3 250.342 1.801 20 10 CDCDHO C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001205264305 939843377 /nfs/dbraw/zinc/84/33/77/939843377.db2.gz JPRWUTKQKXABNO-AWEZNQCLSA-N 1 3 250.342 1.801 20 10 CDCDHO C[C@@H]1CC[N@H+](Cc2c([O-])cc(O)cc2O)CC[C@H]1C[NH3+] ZINC001205626325 939910115 /nfs/dbraw/zinc/91/01/15/939910115.db2.gz FTFORHVQNOWFPB-MNOVXSKESA-N 1 3 280.368 1.610 20 10 CDCDHO C[C@@H]1CC[N@@H+](Cc2c([O-])cc(O)cc2O)CC[C@H]1C[NH3+] ZINC001205626325 939910118 /nfs/dbraw/zinc/91/01/18/939910118.db2.gz FTFORHVQNOWFPB-MNOVXSKESA-N 1 3 280.368 1.610 20 10 CDCDHO [NH3+]C[C@H]1CCCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC000381379027 943902739 /nfs/dbraw/zinc/90/27/39/943902739.db2.gz RNHNCZNJSNRRPF-LLVKDONJSA-N 1 3 250.342 1.659 20 10 CDCDHO [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC000381379027 943902743 /nfs/dbraw/zinc/90/27/43/943902743.db2.gz RNHNCZNJSNRRPF-LLVKDONJSA-N 1 3 250.342 1.659 20 10 CDCDHO C[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1[O-] ZINC001246240536 948049268 /nfs/dbraw/zinc/04/92/68/948049268.db2.gz PWCOJYJLEAZLPY-NEPJUHHUSA-N 1 3 261.369 1.137 20 10 CDCDHO CN1CC=C(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000271859124 371081795 /nfs/dbraw/zinc/08/17/95/371081795.db2.gz INIZAIUZXHUHGR-UHFFFAOYSA-N 1 3 258.365 1.973 20 10 CDCDHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000269081579 328079524 /nfs/dbraw/zinc/07/95/24/328079524.db2.gz ZQFRSMVDCINLPH-AWEZNQCLSA-N 1 3 291.439 1.860 20 10 CDCDHO COc1cc(C)cc(CNCCC[NH+](C)C)c1O ZINC000894146656 618628098 /nfs/dbraw/zinc/62/80/98/618628098.db2.gz UZZCYTSNMKVXJC-UHFFFAOYSA-N 1 3 252.358 1.751 20 10 CDCDHO Cc1ccc(C[NH2+]CC2(O)CCN(C)CC2)c(O)c1 ZINC000877061591 1165968198 /nfs/dbraw/zinc/96/81/98/1165968198.db2.gz MGRBZPSSQNXTSX-UHFFFAOYSA-N 1 3 264.369 1.247 20 10 CDCDHO C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(F)ccc1[O-] ZINC000817944400 784819228 /nfs/dbraw/zinc/81/92/28/784819228.db2.gz AZAZJPPVJFBEFB-NSHDSACASA-N 1 3 267.348 1.087 20 10 CDCDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000817902296 786062400 /nfs/dbraw/zinc/06/24/00/786062400.db2.gz MPNUGCOYAZZNAO-TUKIKUTGSA-N 1 3 276.380 1.463 20 10 CDCDHO CN(C)c1ccc(CN2CCC(O)(C[NH3+])CC2)cc1F ZINC000841107894 786897274 /nfs/dbraw/zinc/89/72/74/786897274.db2.gz MFGNQURBTHGPDA-UHFFFAOYSA-N 1 3 281.375 1.177 20 10 CDCDHO C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1[O-] ZINC000817934805 789436746 /nfs/dbraw/zinc/43/67/46/789436746.db2.gz CVPDJDATSJXILC-ZDUSSCGKSA-N 1 3 263.385 1.338 20 10 CDCDHO COc1cc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)c(O)c(OC)c1 ZINC001206201631 912556517 /nfs/dbraw/zinc/55/65/17/912556517.db2.gz YSDBMLQPDDIYJJ-OLZOCXBDSA-N 1 3 298.358 1.671 20 10 CDCDHO COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)c(O)c(OC)c1 ZINC001206201631 912556526 /nfs/dbraw/zinc/55/65/26/912556526.db2.gz YSDBMLQPDDIYJJ-OLZOCXBDSA-N 1 3 298.358 1.671 20 10 CDCDHO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001205545514 922303917 /nfs/dbraw/zinc/30/39/17/922303917.db2.gz INQDVWIVTGTNGV-CQSZACIVSA-N 1 3 268.332 1.751 20 10 CDCDHO [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(O)cc2[O-])CC1 ZINC001205545514 922303936 /nfs/dbraw/zinc/30/39/36/922303936.db2.gz INQDVWIVTGTNGV-CQSZACIVSA-N 1 3 268.332 1.751 20 10 CDCDHO COc1cc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)c(O)cc1O ZINC001206190215 939994913 /nfs/dbraw/zinc/99/49/13/939994913.db2.gz ZOGSEQTYJFFMMV-GHMZBOCLSA-N 1 3 284.331 1.368 20 10 CDCDHO COc1cc(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)c(O)cc1O ZINC001206190215 939994914 /nfs/dbraw/zinc/99/49/14/939994914.db2.gz ZOGSEQTYJFFMMV-GHMZBOCLSA-N 1 3 284.331 1.368 20 10 CDCDHO C[C@H](C[NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001263259976 943812326 /nfs/dbraw/zinc/81/23/26/943812326.db2.gz MWWUHPIYKKZCHV-DOMZBBRYSA-N 1 3 292.427 1.066 20 10 CDCDHO COc1cc(C)c(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235999379 944369085 /nfs/dbraw/zinc/36/90/85/944369085.db2.gz CLGMJJCJTJHRCD-HBBFGDNQSA-N 1 3 292.379 1.115 20 10 CDCDHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000273607144 371171138 /nfs/dbraw/zinc/17/11/38/371171138.db2.gz UMKOVPLNSHFPLL-NSHDSACASA-N 1 3 282.359 1.639 20 10 CDCDHO C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(F)ccc1[O-] ZINC000273607144 371171143 /nfs/dbraw/zinc/17/11/43/371171143.db2.gz UMKOVPLNSHFPLL-NSHDSACASA-N 1 3 282.359 1.639 20 10 CDCDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817888962 618483661 /nfs/dbraw/zinc/48/36/61/618483661.db2.gz QGSOBOSKQWBAOF-OLZOCXBDSA-N 1 3 295.402 1.878 20 10 CDCDHO Cc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)c([O-])c1 ZINC000219313240 789934238 /nfs/dbraw/zinc/93/42/38/789934238.db2.gz UMPUGQJDWOURQT-CYBMUJFWSA-N 1 3 266.385 1.929 20 10 CDCDHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000841055629 790032627 /nfs/dbraw/zinc/03/26/27/790032627.db2.gz SYBNDDUGMIPMIX-CVEARBPZSA-N 1 3 289.423 1.883 20 10 CDCDHO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CN(C)C(C)C)c1 ZINC000851900170 791783329 /nfs/dbraw/zinc/78/33/29/791783329.db2.gz QLRWOVWOBIGQRP-OLZOCXBDSA-N 1 3 296.411 1.753 20 10 CDCDHO C[C@@]1(CNCc2cc3c(cc2O)OCO3)CCC[NH2+]C1 ZINC000841056880 791805219 /nfs/dbraw/zinc/80/52/19/791805219.db2.gz JMJJPKMGXPKUMK-OAHLLOKOSA-N 1 3 278.352 1.600 20 10 CDCDHO COc1cccc(O)c1CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843052779 792460338 /nfs/dbraw/zinc/46/03/38/792460338.db2.gz WEAVCUZHBYPHHW-RYUDHWBXSA-N 1 3 264.369 1.960 20 10 CDCDHO COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000841085323 792970558 /nfs/dbraw/zinc/97/05/58/792970558.db2.gz ZHVSJUFVFZOOCH-WDEREUQCSA-N 1 3 250.342 1.618 20 10 CDCDHO [NH3+]C[C@H]1C[N@H+](Cc2ccccc2[O-])CC12CCOCC2 ZINC000843124891 793847587 /nfs/dbraw/zinc/84/75/87/793847587.db2.gz KJBBGJLNEWKGMJ-AWEZNQCLSA-N 1 3 276.380 1.580 20 10 CDCDHO [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC12CCOCC2 ZINC000843124891 793847588 /nfs/dbraw/zinc/84/75/88/793847588.db2.gz KJBBGJLNEWKGMJ-AWEZNQCLSA-N 1 3 276.380 1.580 20 10 CDCDHO CC[NH+]1CCC(NCCc2cc(O)c(O)cc2O)CC1 ZINC001169224750 927823514 /nfs/dbraw/zinc/82/35/14/927823514.db2.gz ONOBGEJWPWPHNW-UHFFFAOYSA-N 1 3 280.368 1.420 20 10 CDCDHO COc1cc(CN2C[C@H](C)[C@H](C[NH3+])C2)c(O)c(OC)c1 ZINC001205150721 939829164 /nfs/dbraw/zinc/82/91/64/939829164.db2.gz IQLIZSDGTSJEAN-CMPLNLGQSA-N 1 3 280.368 1.436 20 10 CDCDHO C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1[O-] ZINC001246240538 948050580 /nfs/dbraw/zinc/05/05/80/948050580.db2.gz PWCOJYJLEAZLPY-RYUDHWBXSA-N 1 3 261.369 1.137 20 10 CDCDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817888965 618483406 /nfs/dbraw/zinc/48/34/06/618483406.db2.gz QGSOBOSKQWBAOF-STQMWFEESA-N 1 3 295.402 1.878 20 10 CDCDHO C[C@@H](CC[NH3+])NCc1ccc(N2CCOCC2)cc1 ZINC000841051004 621598215 /nfs/dbraw/zinc/59/82/15/621598215.db2.gz MFXVFKYPJQVNEJ-ZDUSSCGKSA-N 1 3 263.385 1.350 20 10 CDCDHO COc1cccc([O-])c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841036909 797928433 /nfs/dbraw/zinc/92/84/33/797928433.db2.gz QGWFZOLUCMGYGR-NSHDSACASA-N 1 3 250.342 1.490 20 10 CDCDHO [NH3+]CC1(F)CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001222548471 900229765 /nfs/dbraw/zinc/22/97/65/900229765.db2.gz NHOQWTBMMDZRCT-UHFFFAOYSA-N 1 3 270.304 1.066 20 10 CDCDHO CCN1CCN(c2ccc(C[N@H+](C)CCOC)cc2)CC1 ZINC001140300762 936699162 /nfs/dbraw/zinc/69/91/62/936699162.db2.gz RSYSPLCBRKTKIM-UHFFFAOYSA-N 1 3 291.439 1.907 20 10 CDCDHO CCN1CCN(c2ccc(C[N@@H+](C)CCOC)cc2)CC1 ZINC001140300762 936699163 /nfs/dbraw/zinc/69/91/63/936699163.db2.gz RSYSPLCBRKTKIM-UHFFFAOYSA-N 1 3 291.439 1.907 20 10 CDCDHO [NH3+][C@H]1CCC[C@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000841055630 936973574 /nfs/dbraw/zinc/97/35/74/936973574.db2.gz SYBNDDUGMIPMIX-HOTGVXAUSA-N 1 3 289.423 1.883 20 10 CDCDHO [NH3+]CCOCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000843356081 937141262 /nfs/dbraw/zinc/14/12/62/937141262.db2.gz DOUAJLMJAVJCKT-OAHLLOKOSA-N 1 3 294.395 1.349 20 10 CDCDHO [NH3+]CCOCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000843356081 937141265 /nfs/dbraw/zinc/14/12/65/937141265.db2.gz DOUAJLMJAVJCKT-OAHLLOKOSA-N 1 3 294.395 1.349 20 10 CDCDHO COc1cccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1[O-] ZINC001205209482 939835562 /nfs/dbraw/zinc/83/55/62/939835562.db2.gz JUKFEGQWHMYZTO-OAHLLOKOSA-N 1 3 280.368 1.077 20 10 CDCDHO COc1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1[O-] ZINC001205209482 939835564 /nfs/dbraw/zinc/83/55/64/939835564.db2.gz JUKFEGQWHMYZTO-OAHLLOKOSA-N 1 3 280.368 1.077 20 10 CDCDHO CCN1CCN(c2ccc(O[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001218286369 941052189 /nfs/dbraw/zinc/05/21/89/941052189.db2.gz GXDMSXNFWXQFFE-QGZVFWFLSA-N 1 3 289.423 1.959 20 10 CDCDHO C[NH+]1CCC(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000105454252 391065396 /nfs/dbraw/zinc/06/53/96/391065396.db2.gz WPFXYEMUJIWUNM-UHFFFAOYSA-N 1 3 292.379 1.942 20 10 CDCDHO COc1cccc([O-])c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406379 626283091 /nfs/dbraw/zinc/28/30/91/626283091.db2.gz RNGNGRYNPZCZOY-LLVKDONJSA-N 1 3 250.342 1.572 20 10 CDCDHO COc1cccc([O-])c1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406379 626283093 /nfs/dbraw/zinc/28/30/93/626283093.db2.gz RNGNGRYNPZCZOY-LLVKDONJSA-N 1 3 250.342 1.572 20 10 CDCDHO CCOc1cccc(CN2CC[C@](C)(C[NH3+])C2)c1O ZINC000311889799 805075771 /nfs/dbraw/zinc/07/57/71/805075771.db2.gz DBAWCXHRWYJRSN-OAHLLOKOSA-N 1 3 264.369 1.962 20 10 CDCDHO COc1cccc(CN2CCC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000070171773 812451441 /nfs/dbraw/zinc/45/14/41/812451441.db2.gz VMFKQIMCTABALT-RYUDHWBXSA-N 1 3 264.369 1.960 20 10 CDCDHO COc1cccc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000070171774 817082294 /nfs/dbraw/zinc/08/22/94/817082294.db2.gz VMFKQIMCTABALT-NEPJUHHUSA-N 1 3 264.369 1.960 20 10 CDCDHO CCOc1ccc(CN2CC[C@H](C[NH3+])C2)c(O)c1 ZINC000843048715 817892381 /nfs/dbraw/zinc/89/23/81/817892381.db2.gz SUOMNICWFMZHJU-LLVKDONJSA-N 1 3 250.342 1.572 20 10 CDCDHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2[O-])C1 ZINC001219651236 941370617 /nfs/dbraw/zinc/37/06/17/941370617.db2.gz URXVWNIABQNWSF-SGMGOOAPSA-N 1 3 291.395 1.144 20 10 CDCDHO Cc1ccc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235996177 944363892 /nfs/dbraw/zinc/36/38/92/944363892.db2.gz XMFXPKIKQNXQIN-NNQSOWQGSA-N 1 3 262.353 1.106 20 10 CDCDHO CN1CCN(c2ccc(CN[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841043088 618677808 /nfs/dbraw/zinc/67/78/08/618677808.db2.gz OWIUUHOLVCEVRB-INIZCTEOSA-N 1 3 288.439 1.280 20 10 CDCDHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000817894258 818337407 /nfs/dbraw/zinc/33/74/07/818337407.db2.gz CLYRVDOLMPCVKO-MAZHCROVSA-N 1 3 277.412 1.595 20 10 CDCDHO Cc1ccc(O)c(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000312992906 818967708 /nfs/dbraw/zinc/96/77/08/818967708.db2.gz SQJCNPGZYHKJNR-HNNXBMFYSA-N 1 3 275.396 1.180 20 10 CDCDHO COc1cc(O)c(C[NH2+]CC2(N)CCCC2)cc1OC ZINC000849350130 820111782 /nfs/dbraw/zinc/11/17/82/820111782.db2.gz RGGMPBDGFBNFDA-UHFFFAOYSA-N 1 3 280.368 1.771 20 10 CDCDHO [NH3+]CCOCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000843356080 822498788 /nfs/dbraw/zinc/49/87/88/822498788.db2.gz DOUAJLMJAVJCKT-HNNXBMFYSA-N 1 3 294.395 1.349 20 10 CDCDHO [NH3+]CCOCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000843356080 822498810 /nfs/dbraw/zinc/49/88/10/822498810.db2.gz DOUAJLMJAVJCKT-HNNXBMFYSA-N 1 3 294.395 1.349 20 10 CDCDHO [NH3+][C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001205102920 913563294 /nfs/dbraw/zinc/56/32/94/913563294.db2.gz WJMYZKPRERZITM-INIZCTEOSA-N 1 3 289.423 1.836 20 10 CDCDHO CN1CC[NH+](C2CCN(Cc3ccc(N)cc3)CC2)CC1 ZINC000224504841 1159123789 /nfs/dbraw/zinc/12/37/89/1159123789.db2.gz KWJPWMXEIAHNRA-UHFFFAOYSA-N 1 3 288.439 1.481 20 10 CDCDHO Oc1cc2c(cc1CNC[C@@H]1CCC[NH2+]C1)OCO2 ZINC000841032946 824830622 /nfs/dbraw/zinc/83/06/22/824830622.db2.gz KMGLXFZRDCIAGZ-SNVBAGLBSA-N 1 3 264.325 1.210 20 10 CDCDHO Oc1c(F)cccc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843125180 825621922 /nfs/dbraw/zinc/62/19/22/825621922.db2.gz ZROCDYXNFUVYIZ-ZDUSSCGKSA-N 1 3 279.359 1.011 20 10 CDCDHO COc1ccc(O)c(CN[C@H](C[NH3+])C(C)(C)C)c1 ZINC000841086993 826761434 /nfs/dbraw/zinc/76/14/34/826761434.db2.gz HMVNFKNFSATLAT-CYBMUJFWSA-N 1 3 252.358 1.864 20 10 CDCDHO COc1ccc(O)c(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000841034866 827299272 /nfs/dbraw/zinc/29/92/72/827299272.db2.gz XUQAJXLHJCXSNQ-NWDGAFQWSA-N 1 3 264.369 1.879 20 10 CDCDHO Cc1ccc(O)c(CN2CCN(CC[NH+](C)C)CC2)c1 ZINC000133867909 937496571 /nfs/dbraw/zinc/49/65/71/937496571.db2.gz DFCQYAFMMOUZLE-UHFFFAOYSA-N 1 3 277.412 1.380 20 10 CDCDHO C[C@H]1CC[N@H+](Cc2c([O-])cc(O)cc2O)CC[C@@H]1C[NH3+] ZINC001205626327 939909921 /nfs/dbraw/zinc/90/99/21/939909921.db2.gz FTFORHVQNOWFPB-WDEREUQCSA-N 1 3 280.368 1.610 20 10 CDCDHO C[C@H]1CC[N@@H+](Cc2c([O-])cc(O)cc2O)CC[C@@H]1C[NH3+] ZINC001205626327 939909922 /nfs/dbraw/zinc/90/99/22/939909922.db2.gz FTFORHVQNOWFPB-WDEREUQCSA-N 1 3 280.368 1.610 20 10 CDCDHO Cc1cccc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1O ZINC000843125134 833072629 /nfs/dbraw/zinc/07/26/29/833072629.db2.gz XBUMVCYQQUBUIK-OAHLLOKOSA-N 1 3 275.396 1.180 20 10 CDCDHO Cc1ccc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)c([O-])c1 ZINC000817945309 829442035 /nfs/dbraw/zinc/44/20/35/829442035.db2.gz ZFYVBRHQPUGGQF-ZDUSSCGKSA-N 1 3 263.385 1.256 20 10 CDCDHO CCOc1cccc(CN[C@@H](C[NH3+])C2CC2)c1O ZINC000841028079 829809972 /nfs/dbraw/zinc/80/99/72/829809972.db2.gz LEQLYLLCJKERJT-LBPRGKRZSA-N 1 3 250.342 1.618 20 10 CDCDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(N2CCOCC2)cc1 ZINC000817896220 835380090 /nfs/dbraw/zinc/38/00/90/835380090.db2.gz ZPCDGFNZERNXJJ-UONOGXRCSA-N 1 3 277.412 1.739 20 10 CDCDHO COc1cc(Cl)cc(C[N@H+](C)CCOCC[NH3+])c1[O-] ZINC000699504998 913893457 /nfs/dbraw/zinc/89/34/57/913893457.db2.gz CGAGEUGJDFBNDO-UHFFFAOYSA-N 1 3 288.775 1.461 20 10 CDCDHO COc1cc(Cl)cc(C[N@@H+](C)CCOCC[NH3+])c1[O-] ZINC000699504998 913893477 /nfs/dbraw/zinc/89/34/77/913893477.db2.gz CGAGEUGJDFBNDO-UHFFFAOYSA-N 1 3 288.775 1.461 20 10 CDCDHO COc1cc(CN2C[C@H](C)[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139256178 936611961 /nfs/dbraw/zinc/61/19/61/936611961.db2.gz VXAPDVRBSRUCQO-SMDDNHRTSA-N 1 3 294.395 1.275 20 10 CDCDHO Cc1ccc(C)c(C[N@@H+]2CCCC[C@](O)(CN)C2)c1O ZINC001205682009 939917985 /nfs/dbraw/zinc/91/79/85/939917985.db2.gz QCJBQGONLCVHJR-INIZCTEOSA-N 1 3 278.396 1.685 20 10 CDCDHO Cc1ccc(C)c(C[N@H+]2CCCC[C@](O)(CN)C2)c1O ZINC001205682009 939917986 /nfs/dbraw/zinc/91/79/86/939917986.db2.gz QCJBQGONLCVHJR-INIZCTEOSA-N 1 3 278.396 1.685 20 10 CDCDHO CC[C@H]([NH3+])CN(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001236868559 944594913 /nfs/dbraw/zinc/59/49/13/944594913.db2.gz NAPCOKGYYXHWGU-INIZCTEOSA-N 1 3 290.455 1.608 20 10 CDCDHO Cc1ccc(O)c(C[NH2+]CC2(O)CCN(C)CC2)c1 ZINC000265910729 370908753 /nfs/dbraw/zinc/90/87/53/370908753.db2.gz XVQJPZCEKAEKEX-UHFFFAOYSA-N 1 3 264.369 1.247 20 10 CDCDHO COc1cccc([O-])c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841036908 840697572 /nfs/dbraw/zinc/69/75/72/840697572.db2.gz QGWFZOLUCMGYGR-LLVKDONJSA-N 1 3 250.342 1.490 20 10 CDCDHO CCOc1ccc(O)c(CNC[C@@H](C)C[NH2+]C)c1 ZINC001118020440 937581582 /nfs/dbraw/zinc/58/15/82/937581582.db2.gz WAKNNXZSAYBRDV-NSHDSACASA-N 1 3 252.358 1.736 20 10 CDCDHO CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001122328379 937922107 /nfs/dbraw/zinc/92/21/07/937922107.db2.gz HUWVXSSXLDYGFH-CABCVRRESA-N 1 3 292.427 1.209 20 10 CDCDHO C[C@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CCN1 ZINC001246250767 948054787 /nfs/dbraw/zinc/05/47/87/948054787.db2.gz YDVVOULQJUOQBR-JQWIXIFHSA-N 1 3 250.342 1.370 20 10 CDCDHO C[C@H]1C[C@@H](NCCc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246250767 948054791 /nfs/dbraw/zinc/05/47/91/948054791.db2.gz YDVVOULQJUOQBR-JQWIXIFHSA-N 1 3 250.342 1.370 20 10 CDCDHO COc1cccc(O)c1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843058455 618691950 /nfs/dbraw/zinc/69/19/50/618691950.db2.gz SMLPCBGVLFIBFW-WDEREUQCSA-N 1 3 250.342 1.570 20 10 CDCDHO CC(C)[C@@H](N)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000841029926 847175758 /nfs/dbraw/zinc/17/57/58/847175758.db2.gz OYEUJFUADWZJBY-INIZCTEOSA-N 1 3 277.412 1.596 20 10 CDCDHO [NH3+]C[C@H](NCc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000841088552 847783217 /nfs/dbraw/zinc/78/32/17/847783217.db2.gz ZFTIOAPDVNVDGG-LBPRGKRZSA-N 1 3 278.352 1.728 20 10 CDCDHO CC[N@H+](CCCN(C)C)Cc1cc(O)c(O)cc1O ZINC001233487150 943595896 /nfs/dbraw/zinc/59/58/96/943595896.db2.gz RYLUYZXYPBPULC-UHFFFAOYSA-N 1 3 268.357 1.577 20 10 CDCDHO CC[N@@H+](CCCN(C)C)Cc1cc(O)c(O)cc1O ZINC001233487150 943595899 /nfs/dbraw/zinc/59/58/99/943595899.db2.gz RYLUYZXYPBPULC-UHFFFAOYSA-N 1 3 268.357 1.577 20 10 CDCDHO C[C@@H]1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)CN1 ZINC001246210165 948029680 /nfs/dbraw/zinc/02/96/80/948029680.db2.gz CGDGRAIUQBQSHP-MWLCHTKSSA-N 1 3 266.341 1.076 20 10 CDCDHO C[N@H+]1CC=C(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000272581061 371115269 /nfs/dbraw/zinc/11/52/69/371115269.db2.gz GSWGXZCFKHCDRD-UHFFFAOYSA-N 1 3 250.317 1.883 20 10 CDCDHO C[N@@H+]1CC=C(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000272581061 371115275 /nfs/dbraw/zinc/11/52/75/371115275.db2.gz GSWGXZCFKHCDRD-UHFFFAOYSA-N 1 3 250.317 1.883 20 10 CDCDHO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCCNC1 ZINC000841043656 618677820 /nfs/dbraw/zinc/67/78/20/618677820.db2.gz URMHDHISNURBJE-OAHLLOKOSA-N 1 3 275.396 1.365 20 10 CDCDHO COc1cccc(CNC[C@@]2(C)CCC[NH2+]C2)c1O ZINC000841058379 698070426 /nfs/dbraw/zinc/07/04/26/698070426.db2.gz WRTQNRISXTYLJF-HNNXBMFYSA-N 1 3 264.369 1.880 20 10 CDCDHO CCOc1cccc(CN2CC[C@@](C)(C[NH3+])C2)c1O ZINC000311889798 698931627 /nfs/dbraw/zinc/93/16/27/698931627.db2.gz DBAWCXHRWYJRSN-HNNXBMFYSA-N 1 3 264.369 1.962 20 10 CDCDHO C[C@H](NCc1cc2c(cc1O)OCO2)[C@H]1CCC[NH2+]C1 ZINC000841032742 849472324 /nfs/dbraw/zinc/47/23/24/849472324.db2.gz GDEYTIDEZNGSMW-QWRGUYRKSA-N 1 3 278.352 1.599 20 10 CDCDHO Cc1ccc(O)c(CN2CCN(CCC[NH+](C)C)CC2)c1 ZINC001140622945 936732183 /nfs/dbraw/zinc/73/21/83/936732183.db2.gz HXTBSNPKMVUFOO-UHFFFAOYSA-N 1 3 291.439 1.770 20 10 CDCDHO CN1CC[C@@]2(CC[N@H+](Cc3cc(O)ccc3O)C2)C1 ZINC001141160934 936822714 /nfs/dbraw/zinc/82/27/14/936822714.db2.gz JWMKTERRCALENT-OAHLLOKOSA-N 1 3 262.353 1.625 20 10 CDCDHO CN1CC[C@@]2(CC[N@@H+](Cc3cc(O)ccc3O)C2)C1 ZINC001141160934 936822716 /nfs/dbraw/zinc/82/27/16/936822716.db2.gz JWMKTERRCALENT-OAHLLOKOSA-N 1 3 262.353 1.625 20 10 CDCDHO CCC[N@H+](CCCN(C)C)Cc1cc(O)c(O)cc1O ZINC001233487277 943595227 /nfs/dbraw/zinc/59/52/27/943595227.db2.gz XJJZUTBVTXARPU-UHFFFAOYSA-N 1 3 282.384 1.967 20 10 CDCDHO CCC[N@@H+](CCCN(C)C)Cc1cc(O)c(O)cc1O ZINC001233487277 943595228 /nfs/dbraw/zinc/59/52/28/943595228.db2.gz XJJZUTBVTXARPU-UHFFFAOYSA-N 1 3 282.384 1.967 20 10 CDCDHO CCc1ccc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235999825 944369160 /nfs/dbraw/zinc/36/91/60/944369160.db2.gz LVBTXLQVQJHRLJ-MZBDJJRSSA-N 1 3 276.380 1.360 20 10 CDCDHO C[NH+]1CCC(C)(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000227328874 333280767 /nfs/dbraw/zinc/28/07/67/333280767.db2.gz RBJNTYKJVUCGQP-UHFFFAOYSA-N 1 3 292.379 1.942 20 10 CDCDHO COc1cccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904421278 626295632 /nfs/dbraw/zinc/29/56/32/626295632.db2.gz WPPVTZBLTMYCFN-WCQYABFASA-N 1 3 262.353 1.442 20 10 CDCDHO COc1cc(O)c(CN(C)CC(C)(C)C[NH3+])cc1OC ZINC000843056019 706021962 /nfs/dbraw/zinc/02/19/62/706021962.db2.gz CHBQDEXUOUHCBN-UHFFFAOYSA-N 1 3 282.384 1.826 20 10 CDCDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000817894264 706244899 /nfs/dbraw/zinc/24/48/99/706244899.db2.gz CLYRVDOLMPCVKO-VBNZEHGJSA-N 1 3 277.412 1.595 20 10 CDCDHO Cc1ccc(C[NH2+]C[C@@H](O)CN2CCCC2)c(O)c1 ZINC000876966142 710333311 /nfs/dbraw/zinc/33/33/11/710333311.db2.gz NUZFDKDBJJHJSR-CQSZACIVSA-N 1 3 264.369 1.247 20 10 CDCDHO COc1cc(O)c(CNC[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000841057455 710342553 /nfs/dbraw/zinc/34/25/53/710342553.db2.gz NJGUTXNSDSDBEJ-INIZCTEOSA-N 1 3 294.395 1.889 20 10 CDCDHO COc1ccc(N2CCC([NH2+]C[C@@H](C)CN)CC2)cc1 ZINC000841048448 710394866 /nfs/dbraw/zinc/39/48/66/710394866.db2.gz IZZCQKPFJAQNGT-ZDUSSCGKSA-N 1 3 277.412 1.848 20 10 CDCDHO COc1ccc(O)c(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000070171743 710830197 /nfs/dbraw/zinc/83/01/97/710830197.db2.gz FXMVBDOIIDMCQB-NWDGAFQWSA-N 1 3 264.369 1.960 20 10 CDCDHO Oc1cc2c(cc1CN[C@@H]1CCC[NH2+]CC1)OCO2 ZINC000841057118 711393322 /nfs/dbraw/zinc/39/33/22/711393322.db2.gz IIWRFNZDJXRMCR-LLVKDONJSA-N 1 3 264.325 1.353 20 10 CDCDHO C[C@@H](C[NH3+])N(C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000843051458 711397267 /nfs/dbraw/zinc/39/72/67/711397267.db2.gz INLUSFRBYIGJGY-AWEZNQCLSA-N 1 3 276.428 1.217 20 10 CDCDHO COCCN(C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139252949 936611455 /nfs/dbraw/zinc/61/14/55/936611455.db2.gz GKOIZXWRSOSAAG-UHFFFAOYSA-N 1 3 282.384 1.541 20 10 CDCDHO C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275267145 931718976 /nfs/dbraw/zinc/71/89/76/931718976.db2.gz KOKUBZCWWMQINB-GOEBONIOSA-N 1 3 289.423 1.460 20 10 CDCDHO C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC001275267145 931718981 /nfs/dbraw/zinc/71/89/81/931718981.db2.gz KOKUBZCWWMQINB-GOEBONIOSA-N 1 3 289.423 1.460 20 10 CDCDHO C[NH2+]C[C@@H](C)CN[C@H](C)c1cc(OC)ccc1O ZINC001118060192 937586746 /nfs/dbraw/zinc/58/67/46/937586746.db2.gz XOIFDCFVZKGAPS-GHMZBOCLSA-N 1 3 252.358 1.907 20 10 CDCDHO COc1cc(CN2CCC[C@@H]2CO)cc(C[NH+](C)C)c1O ZINC001139256217 936306016 /nfs/dbraw/zinc/30/60/16/936306016.db2.gz WYVZEFNHDSCQMJ-CQSZACIVSA-N 1 3 294.395 1.419 20 10 CDCDHO COc1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205210505 939835391 /nfs/dbraw/zinc/83/53/91/939835391.db2.gz PBDCROYOFURPQU-OAHLLOKOSA-N 1 3 280.368 1.077 20 10 CDCDHO COc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205210505 939835393 /nfs/dbraw/zinc/83/53/93/939835393.db2.gz PBDCROYOFURPQU-OAHLLOKOSA-N 1 3 280.368 1.077 20 10 CDCDHO CN(C)c1ccc(C[N@@H+]2CCCC[C@](O)(CN)C2)cc1 ZINC001205662571 939913184 /nfs/dbraw/zinc/91/31/84/939913184.db2.gz CGKBYCXZIVYAPO-INIZCTEOSA-N 1 3 277.412 1.428 20 10 CDCDHO CN(C)c1ccc(C[N@H+]2CCCC[C@](O)(CN)C2)cc1 ZINC001205662571 939913186 /nfs/dbraw/zinc/91/31/86/939913186.db2.gz CGKBYCXZIVYAPO-INIZCTEOSA-N 1 3 277.412 1.428 20 10 CDCDHO CN(C)c1ccc(CN2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205662571 939913189 /nfs/dbraw/zinc/91/31/89/939913189.db2.gz CGKBYCXZIVYAPO-INIZCTEOSA-N 1 3 277.412 1.428 20 10 CDCDHO CN(C)c1ccc(C[NH+]2CCC3(CN(C)C3)CC2)c(O)c1 ZINC001232840814 943416821 /nfs/dbraw/zinc/41/68/21/943416821.db2.gz KIUANGUSSAANSB-UHFFFAOYSA-N 1 3 289.423 1.986 20 10 CDCDHO Cc1cc(C)c(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c([O-])c1 ZINC001246344210 948120838 /nfs/dbraw/zinc/12/08/38/948120838.db2.gz OHMSKLZRZMFJLY-CYBMUJFWSA-N 1 3 275.396 1.193 20 10 CDCDHO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CN(C)C)C2)c1 ZINC000180230457 357253836 /nfs/dbraw/zinc/25/38/36/357253836.db2.gz SRFNLKMIYBKKCC-LBPRGKRZSA-N 1 3 264.369 1.784 20 10 CDCDHO COc1ccc(O)c(C[N@H+]2CC[C@@H](CN(C)C)C2)c1 ZINC000180230457 357253837 /nfs/dbraw/zinc/25/38/37/357253837.db2.gz SRFNLKMIYBKKCC-LBPRGKRZSA-N 1 3 264.369 1.784 20 10 CDCDHO COc1cc(C)cc(C[NH2+]CC2(O)CCN(C)CC2)c1O ZINC000894306145 618557384 /nfs/dbraw/zinc/55/73/84/618557384.db2.gz XNDSBKZUXKYEFH-UHFFFAOYSA-N 1 3 294.395 1.256 20 10 CDCDHO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCCNC1 ZINC000841043655 618677605 /nfs/dbraw/zinc/67/76/05/618677605.db2.gz URMHDHISNURBJE-HNNXBMFYSA-N 1 3 275.396 1.365 20 10 CDCDHO CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c([O-])c1 ZINC000843057531 618691219 /nfs/dbraw/zinc/69/12/19/618691219.db2.gz JLPTXSNSWAKTMP-NWDGAFQWSA-N 1 3 264.369 1.960 20 10 CDCDHO CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c([O-])c1 ZINC000843057531 618691223 /nfs/dbraw/zinc/69/12/23/618691223.db2.gz JLPTXSNSWAKTMP-NWDGAFQWSA-N 1 3 264.369 1.960 20 10 CDCDHO Cc1cccc(O)c1C[NH2+]C[C@H](O)CN1CCCC1 ZINC000876965519 712723798 /nfs/dbraw/zinc/72/37/98/712723798.db2.gz DZOZYSMANWIDMQ-ZDUSSCGKSA-N 1 3 264.369 1.247 20 10 CDCDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001140299758 936699139 /nfs/dbraw/zinc/69/91/39/936699139.db2.gz FCFIURLUSLUYNI-QGZVFWFLSA-N 1 3 289.423 1.395 20 10 CDCDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC001140299758 936699140 /nfs/dbraw/zinc/69/91/40/936699140.db2.gz FCFIURLUSLUYNI-QGZVFWFLSA-N 1 3 289.423 1.395 20 10 CDCDHO COc1cc(O)c(C[NH2+]C[C@@H](N)C(C)C)cc1OC ZINC000841029053 936972554 /nfs/dbraw/zinc/97/25/54/936972554.db2.gz FACZFSPRAZDVEL-LLVKDONJSA-N 1 3 268.357 1.482 20 10 CDCDHO COC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000817943288 930642080 /nfs/dbraw/zinc/64/20/80/930642080.db2.gz UAAQAAAWMZCITK-HZPDHXFCSA-N 1 3 277.412 1.767 20 10 CDCDHO COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c([O-])c1 ZINC000708834581 1159463742 /nfs/dbraw/zinc/46/37/42/1159463742.db2.gz FYMMRRADHLQDGR-CMPLNLGQSA-N 1 3 250.342 1.427 20 10 CDCDHO COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c([O-])c1 ZINC000708834581 1159463748 /nfs/dbraw/zinc/46/37/48/1159463748.db2.gz FYMMRRADHLQDGR-CMPLNLGQSA-N 1 3 250.342 1.427 20 10 CDCDHO CN1CCCc2cc(C[N@@H+]3CCC[C@@H]3CN)ccc21 ZINC000131416105 1175783646 /nfs/dbraw/zinc/78/36/46/1175783646.db2.gz ZGGZJZAPFGGNMT-OAHLLOKOSA-N 1 3 259.397 1.992 20 10 CDCDHO CN1CCCc2cc(C[N@H+]3CCC[C@@H]3CN)ccc21 ZINC000131416105 1175783651 /nfs/dbraw/zinc/78/36/51/1175783651.db2.gz ZGGZJZAPFGGNMT-OAHLLOKOSA-N 1 3 259.397 1.992 20 10 CDCDHO COc1cc(CN(C)[C@H]2CCOC2)cc(C[NH+](C)C)c1O ZINC001139257140 936611913 /nfs/dbraw/zinc/61/19/13/936611913.db2.gz SQQOBWCFYCKTFH-AWEZNQCLSA-N 1 3 294.395 1.683 20 10 CDCDHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(N3CCOCC3)cc2)C1 ZINC000841055631 936973628 /nfs/dbraw/zinc/97/36/28/936973628.db2.gz SYBNDDUGMIPMIX-HZPDHXFCSA-N 1 3 289.423 1.883 20 10 CDCDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000854230369 928173134 /nfs/dbraw/zinc/17/31/34/928173134.db2.gz NYGQKAKHVDGFQE-KGLIPLIRSA-N 1 3 291.439 1.863 20 10 CDCDHO C[C@]1(C[NH3+])CCC[N@H+](Cc2c([O-])cc(O)cc2O)CC1 ZINC001206318728 940016836 /nfs/dbraw/zinc/01/68/36/940016836.db2.gz SYJQHYLGUWJWEZ-HNNXBMFYSA-N 1 3 280.368 1.754 20 10 CDCDHO C[C@]1(C[NH3+])CCC[N@@H+](Cc2c([O-])cc(O)cc2O)CC1 ZINC001206318728 940016837 /nfs/dbraw/zinc/01/68/37/940016837.db2.gz SYJQHYLGUWJWEZ-HNNXBMFYSA-N 1 3 280.368 1.754 20 10 CDCDHO CC[N@H+](CCCN(C)C)Cc1cc(OC)c(O)cc1O ZINC001231638671 942953922 /nfs/dbraw/zinc/95/39/22/942953922.db2.gz DAOKMFNCXJTCAJ-UHFFFAOYSA-N 1 3 282.384 1.880 20 10 CDCDHO CC[N@@H+](CCCN(C)C)Cc1cc(OC)c(O)cc1O ZINC001231638671 942953935 /nfs/dbraw/zinc/95/39/35/942953935.db2.gz DAOKMFNCXJTCAJ-UHFFFAOYSA-N 1 3 282.384 1.880 20 10 CDCDHO COc1cc(O)c(C[NH2+]CC[C@H](C)N(C)C)cc1OC ZINC000895296543 619528561 /nfs/dbraw/zinc/52/85/61/619528561.db2.gz OLAOBFVCIKMYAU-NSHDSACASA-N 1 3 282.384 1.839 20 10 CDCDHO